0 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.28 BrCCOCc1ncccn1 34a_100000211926_100000703007 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.28 C#CCCNc1cccnn1 27a_100000755551_100016991348 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.28 C#CCCNc1ccncn1 27a_100000755551_100000703185 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.28 C#CCCNc1cnccn1 27a_100000755551_100000211759 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.28 C#CCCNc1ncccn1 27a_100000755551_100000211032 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.28 C#CCCSc1ccccn1 62a_100000688953_100011216584 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.28 C#CCCSc1ccccn1 62a_100011216584_100000688953 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.28 C#CCCSc1cccnn1 62a_100000688953_100016991348 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.28 C#CCCSc1cccnn1 62a_100016991348_100000688953 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.28 C#CCCSc1ccncn1 62a_100000688953_100000703185 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.28 C#CCCSc1ccncn1 62a_100000703185_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.28 C#CCCSc1cnccn1 62a_100000211759_100000688953 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.28 C#CCCSc1cnccn1 62a_100000688953_100000211759 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.28 C#CCCSc1ncccn1 62a_100000211032_100000688953 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.28 C#CCCSc1ncccn1 62a_100000688953_100000211032 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.28 C#CCNCc1ccccn1 34a_100000212058_100000721315 [0,0,0,0,0,0|1,0,2]=3 29 B11R1.28 C#CCNCc1cccnn1 2230a_100159270163_100000038162 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.28 C#CCNCc1cccnn1 34a_100000212058_100016990269 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.28 C#CCNCc1cnccn1 34a_100000212058_100016995436 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.28 C#CCNCc1ncccn1 34a_100000212058_100000703007 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,0,0,0,0,0|2,0,2]=4 35 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,0,0,0,0,0|1,0,2]=3 37 B11R1.28 C#CCOCc1cccnn1 34a_100000210247_100016990269 [0,0,0,0,0,0|2,0,2]=4 38 B11R1.28 C#CCOCc1cnccn1 34a_100000210247_100016995436 [0,0,0,0,0,0|2,0,2]=4 39 B11R1.28 C#CCOCc1ncccn1 34a_100000210247_100000703007 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,0,0,0,0,0|2,0,2]=4 41 B11R1.28 C#CCSCc1ccccn1 62a_100000038162_100000721315 [0,0,0,0,0,0|1,0,2]=3 42 B11R1.28 C#CCSCc1cccnn1 62a_100000038162_100016990269 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.28 C#CCSCc1cnccn1 62a_100000038162_100016995436 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.28 C#CCSCc1ncccn1 62a_100000038162_100000703007 [0,0,0,0,0,0|2,0,2]=4 45 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,0,0,0,0,0|2,0,2]=4 47 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,0,0,0,0,0|2,0,2]=4 48 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,0,0,0,0,0|2,0,2]=4 49 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,0,0,0,0,0|2,0,2]=4 50 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [0,0,0,0,0,0|1,0,2]=3 51 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [0,0,0,0,0,0|1,0,2]=3 52 B11R1.28 C/C=C/CSc1cccnn1 62a_100016991348_100102629194 [0,0,0,0,0,0|2,0,2]=4 53 B11R1.28 C/C=C/CSc1cccnn1 62a_100102629194_100016991348 [0,0,0,0,0,0|2,0,2]=4 54 B11R1.28 C/C=C/CSc1ccncn1 62a_100000703185_100102629194 [0,0,0,0,0,0|2,0,2]=4 55 B11R1.28 C/C=C/CSc1ccncn1 62a_100102629194_100000703185 [0,0,0,0,0,0|2,0,2]=4 56 B11R1.28 C/C=C/CSc1cnccn1 62a_100000211759_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B11R1.28 C/C=C/CSc1cnccn1 62a_100102629194_100000211759 [0,0,0,0,0,0|2,0,2]=4 58 B11R1.28 C/C=C/CSc1ncccn1 62a_100000211032_100102629194 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.28 C/C=C/CSc1ncccn1 62a_100102629194_100000211032 [0,0,0,0,0,0|2,0,2]=4 60 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,0,0,0,0,0|2,0,2]=4 61 B11R1.28 C=CCCNc1cccnn1 27a_100015191253_100016991348 [0,0,0,0,0,0|2,0,2]=4 62 B11R1.28 C=CCCNc1ccncn1 27a_100015191253_100000703185 [0,0,0,0,0,0|2,0,2]=4 63 B11R1.28 C=CCCNc1cnccn1 27a_100015191253_100000211759 [0,0,0,0,0,0|2,0,2]=4 64 B11R1.28 C=CCCNc1ncccn1 27a_100015191253_100000211032 [0,0,0,0,0,0|2,0,2]=4 65 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,0,0,0,0,0|2,0,2]=4 66 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,0,0,0,0,0|2,0,2]=4 67 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,0,0,0,0,0|2,0,2]=4 68 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,0,0,0,0,0|2,0,2]=4 69 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,0,0,0,0,0|1,0,2]=3 70 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,0,0,0,0,0|1,0,2]=3 71 B11R1.28 C=CCCSc1cccnn1 62a_100000754431_100016991348 [0,0,0,0,0,0|2,0,2]=4 72 B11R1.28 C=CCCSc1cccnn1 62a_100016991348_100000754431 [0,0,0,0,0,0|2,0,2]=4 73 B11R1.28 C=CCCSc1ccncn1 62a_100000703185_100000754431 [0,0,0,0,0,0|2,0,2]=4 74 B11R1.28 C=CCCSc1ccncn1 62a_100000754431_100000703185 [0,0,0,0,0,0|2,0,2]=4 75 B11R1.28 C=CCCSc1cnccn1 62a_100000211759_100000754431 [0,0,0,0,0,0|2,0,2]=4 76 B11R1.28 C=CCCSc1cnccn1 62a_100000754431_100000211759 [0,0,0,0,0,0|2,0,2]=4 77 B11R1.28 C=CCCSc1ncccn1 62a_100000211032_100000754431 [0,0,0,0,0,0|2,0,2]=4 78 B11R1.28 C=CCCSc1ncccn1 62a_100000754431_100000211032 [0,0,0,0,0,0|2,0,2]=4 79 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,0,0,0,0,0|2,0,2]=4 80 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,0,0,0,0,0|2,0,2]=4 81 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,0,0,0,0,0|2,0,2]=4 82 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,0,0,0,0,0|2,0,2]=4 83 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [0,0,0,0,0,0|1,0,2]=3 84 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [0,0,0,0,0,0|1,0,2]=3 85 B11R1.28 C=CCNCc1cccnn1 2230a_100020586998_100016990269 [0,0,0,0,0,0|2,0,2]=4 86 B11R1.28 C=CCNCc1cccnn1 2230a_100159270163_100000210623 [0,0,0,0,0,0|2,0,2]=4 87 B11R1.28 C=CCNCc1cnccn1 2230a_100020586998_100016995436 [0,0,0,0,0,0|2,0,2]=4 88 B11R1.28 C=CCNCc1cnccn1 270004a_100020586998_100000749867 [0,0,0,0,0,0|2,0,2]=4 89 B11R1.28 C=CCNCc1ncccn1 2230a_100020586998_100000703007 [0,0,0,0,0,0|2,0,2]=4 90 B11R1.28 C=CCNCc1ncccn1 270004a_100020586998_100011532527 [0,0,0,0,0,0|2,0,2]=4 91 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,0,0,0,0,0|2,0,2]=4 92 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,0,0,0,0,0|2,0,2]=4 93 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,0,0,0,0,0|2,0,2]=4 94 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,0,0,0,0,0|1,0,2]=3 95 B11R1.28 C=CCOCc1cccnn1 34a_200000210373_100016990269 [0,0,0,0,0,0|2,0,2]=4 96 B11R1.28 C=CCOCc1cnccn1 34a_200000210373_100016995436 [0,0,0,0,0,0|2,0,2]=4 97 B11R1.28 C=CCOCc1ncccn1 34a_200000210373_100000703007 [0,0,0,0,0,0|2,0,2]=4 98 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,0,0,0,0,0|2,0,2]=4 99 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,0,0,0,0,0|2,0,2]=4 100 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,0,0,0,0,0|1,0,2]=3 101 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,0,0,0,0,0|1,0,2]=3 102 B11R1.28 C=CCSCc1cccnn1 62a_100000210623_100016990269 [0,0,0,0,0,0|2,0,2]=4 103 B11R1.28 C=CCSCc1cccnn1 62a_100016990269_100000210623 [0,0,0,0,0,0|2,0,2]=4 104 B11R1.28 C=CCSCc1cnccn1 62a_100000210623_100016995436 [0,0,0,0,0,0|2,0,2]=4 105 B11R1.28 C=CCSCc1cnccn1 62a_100016995436_100000210623 [0,0,0,0,0,0|2,0,2]=4 106 B11R1.28 C=CCSCc1ncccn1 62a_100000210623_100000703007 [0,0,0,0,0,0|2,0,2]=4 107 B11R1.28 C=CCSCc1ncccn1 62a_100000703007_100000210623 [0,0,0,0,0,0|2,0,2]=4 108 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,0,0,0,0,0|2,0,2]=4 109 B11R1.28 CC#CCNc1cccnn1 27a_100000685387_100016991348 [0,0,0,0,0,0|2,0,2]=4 110 B11R1.28 CC#CCNc1ccncn1 27a_100000685387_100000703185 [0,0,0,0,0,0|2,0,2]=4 111 B11R1.28 CC#CCNc1cnccn1 27a_100000685387_100000211759 [0,0,0,0,0,0|2,0,2]=4 112 B11R1.28 CC#CCNc1ncccn1 27a_100000685387_100000211032 [0,0,0,0,0,0|2,0,2]=4 113 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,0,0,0,0,0|2,0,2]=4 114 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,0,0,0,0,0|2,0,2]=4 115 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,0,0,0,0,0|2,0,2]=4 116 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,0,0,0,0,0|2,0,2]=4 117 B11R1.28 CC#CCSc1ccccn1 62a_100000748600_100011216584 [0,0,0,0,0,0|1,0,2]=3 118 B11R1.28 CC#CCSc1ccccn1 62a_100011216584_100000748600 [0,0,0,0,0,0|1,0,2]=3 119 B11R1.28 CC#CCSc1cccnn1 62a_100000748600_100016991348 [0,0,0,0,0,0|2,0,2]=4 120 B11R1.28 CC#CCSc1cccnn1 62a_100016991348_100000748600 [0,0,0,0,0,0|2,0,2]=4 121 B11R1.28 CC#CCSc1ccncn1 62a_100000703185_100000748600 [0,0,0,0,0,0|2,0,2]=4 122 B11R1.28 CC#CCSc1ccncn1 62a_100000748600_100000703185 [0,0,0,0,0,0|2,0,2]=4 123 B11R1.28 CC#CCSc1cnccn1 62a_100000211759_100000748600 [0,0,0,0,0,0|2,0,2]=4 124 B11R1.28 CC#CCSc1cnccn1 62a_100000748600_100000211759 [0,0,0,0,0,0|2,0,2]=4 125 B11R1.28 CC#CCSc1ncccn1 62a_100000211032_100000748600 [0,0,0,0,0,0|2,0,2]=4 126 B11R1.28 CC#CCSc1ncccn1 62a_100000748600_100000211032 [0,0,0,0,0,0|2,0,2]=4 127 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,0,0,0,0,0|2,0,2]=4 128 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,0,0,0,0,0|2,0,2]=4 129 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,0,0,0,0,0|2,0,2]=4 130 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,0,0,0,0,0|2,0,2]=4 131 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,0,0,0,0,0|2,0,2]=4 132 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [0,0,0,0,0,0|1,0,2]=3 133 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [0,0,0,0,0,0|1,0,2]=3 134 B11R1.28 CC=CCSc1cccnn1 62a_100000070051_100016991348 [0,0,0,0,0,0|2,0,2]=4 135 B11R1.28 CC=CCSc1cccnn1 62a_100016991348_100000070051 [0,0,0,0,0,0|2,0,2]=4 136 B11R1.28 CC=CCSc1ccncn1 62a_100000070051_100000703185 [0,0,0,0,0,0|2,0,2]=4 137 B11R1.28 CC=CCSc1ccncn1 62a_100000703185_100000070051 [0,0,0,0,0,0|2,0,2]=4 138 B11R1.28 CC=CCSc1cnccn1 62a_100000070051_100000211759 [0,0,0,0,0,0|2,0,2]=4 139 B11R1.28 CC=CCSc1cnccn1 62a_100000211759_100000070051 [0,0,0,0,0,0|2,0,2]=4 140 B11R1.28 CC=CCSc1ncccn1 62a_100000070051_100000211032 [0,0,0,0,0,0|2,0,2]=4 141 B11R1.28 CC=CCSc1ncccn1 62a_100000211032_100000070051 [0,0,0,0,0,0|2,0,2]=4 142 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,0,0,0,0,0|3,0,1]=4 143 B11R1.28 CC=NNCc1ccccn1 4a_100000736832_200000210099 [0,0,0,0,0,0|2,0,1]=3 144 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,0,0,0,0,0|3,0,1]=4 145 B11R1.28 CCC=NNc1ccccn1 4a_100000183288_100000210100 [0,0,0,0,0,0|2,0,1]=3 146 B11R1.28 CCC=NNc1cccnn1 4a_100000757824_100000210100 [0,0,0,0,0,0|3,0,1]=4 147 B11R1.28 CCC=NNc1ccncn1 4a_100011438088_100000210100 [0,0,0,0,0,0|3,0,1]=4 148 B11R1.28 CCC=NNc1cnccn1 4a_100000736894_100000210100 [0,0,0,0,0,0|3,0,1]=4 149 B11R1.28 CCC=NNc1ncccn1 4a_100000736892_100000210100 [0,0,0,0,0,0|3,0,1]=4 150 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,0,0,0,0,0|1,0,2]=3 151 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,0,0,0,0,0|0,0,2]=2 152 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,0,0,0,0,0|2,0,2]=4 153 B11R1.28 CCCC=Cc1cccnn1 271570a_100016258520_100016991348 [0,0,0,0,0,0|1,0,2]=3 154 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [0,0,0,0,0,0|2,0,2]=4 155 B11R1.28 CCCC=Cc1ccncn1 271570a_100016258520_100000703185 [0,0,0,0,0,0|1,0,2]=3 156 B11R1.28 CCCC=Cc1cnccn1 271570a_100016258520_100000758340 [0,0,0,0,0,0|1,0,2]=3 157 B11R1.28 CCCC=Cc1ncccn1 271570a_100016258520_100000211032 [0,0,0,0,0,0|1,0,2]=3 158 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,0,0,0,0,0|2,0,2]=4 159 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,0,0,0,0,0|2,0,2]=4 160 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,0,0,0,0,0|2,0,2]=4 161 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,0,0,0,0,0|2,0,0]=2 162 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,0,0,0,0,0|2,0,0]=2 163 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,0,0,0,0,0|2,0,0]=2 164 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,0,0,0,0,0|2,0,0]=2 165 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,0,0,0,0,0|2,0,0]=2 166 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,0,0,0,0,0|2,0,0]=2 167 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,0,0,0,0,0|2,0,0]=2 168 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,0,0,0,0,0|3,0,0]=3 170 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,0,0,0,0,0|3,0,0]=3 171 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [0,0,0,0,0,0|4,0,0]=4 173 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,0,0,0,0,0|2,0,0]=2 174 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,0,0,0,0,0|2,0,0]=2 175 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,0,0,0,0,0|1,0,0]=1 176 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,0,0,0,0,0|1,0,0]=1 177 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,0,0,0,0,0|3,0,0]=3 179 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,0,0,0,0,0|2,0,0]=2 180 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,0,0,0,0,0|2,0,0]=2 181 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,0,0,0,0,0|3,0,0]=3 182 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,0,0,0,0,0|3,0,0]=3 183 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,0,0,0,0,0|2,0,0]=2 184 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,0,0,0,0,0|2,0,0]=2 185 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [0,0,0,0,0,0|4,0,0]=4 186 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [0,0,0,0,0,0|4,0,0]=4 187 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,0,0,0,0,0|2,0,0]=2 188 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,0,0,0,0,0|2,0,0]=2 189 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [0,0,0,0,0,0|4,0,0]=4 190 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [0,0,0,0,0,0|4,0,0]=4 191 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,0,0,0,0,0|2,0,0]=2 192 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,0,0,0,0,0|2,0,0]=2 193 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,0,0,0,0,0|2,0,0]=2 194 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,0,0,0,0,0|2,0,0]=2 195 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,0,0,0,0,0|2,0,0]=2 196 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,0,0,0,0,0|2,0,0]=2 197 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,0,0,0,0,0|1,0,0]=1 198 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,0,0,0,0,0|1,0,0]=1 199 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,0,0,0,0,0|3,0,0]=3 200 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,0,0,0,0,0|3,0,0]=3 201 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,0,0,0,0,0|2,0,0]=2 202 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,0,0,0,0,0|3,0,0]=3 203 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [0,0,0,0,0,0|4,0,0]=4 204 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,0,0,0,0,0|2,0,0]=2 205 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [0,0,0,0,0,0|4,0,0]=4 206 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [0,0,0,0,0,0|4,0,0]=4 207 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,0,0,0,0,0|2,0,0]=2 208 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,0,0,0,0,0|2,0,0]=2 209 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,0,0,0,0,0|2,0,0]=2 210 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,0,0,0,0,0|2,0,0]=2 211 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,0,0,0,0,0|1,0,0]=1 212 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,0,0,0,0,0|3,0,0]=3 213 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,0,0,0,0,0|2,0,0]=2 214 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,0,0,0,0,0|2,0,0]=2 215 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,0,0,0,0,0|4,0,0]=4 216 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,0,0,0,0,0|2,0,0]=2 217 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,0,0,0,0,0|2,0,0]=2 218 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,0,0,0,0,0|2,0,0]=2 219 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,0,0,0,0,0|1,0,0]=1 220 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,0,0,0,0,0|1,0,0]=1 221 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,0,0,0,0,0|3,0,0]=3 222 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,0,0,0,0,0|3,0,0]=3 223 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,0,0,0,0,0|2,0,0]=2 224 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,0,0,0,0,0|2,0,0]=2 225 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,0,0,0,0,0|3,0,0]=3 226 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,0,0,0,0,0|3,0,0]=3 227 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,0,0,0,0,0|2,0,0]=2 228 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,0,0,0,0,0|2,0,0]=2 229 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [0,0,0,0,0,0|4,0,0]=4 230 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [0,0,0,0,0,0|4,0,0]=4 231 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,0,0,0,0,0|2,0,0]=2 232 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,0,0,0,0,0|2,0,0]=2 233 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,0,0,0,0,0|2,0,0]=2 234 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,0,0,0,0,0|2,0,0]=2 235 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,0,0,0,0,0|2,0,0]=2 236 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,0,0,0,0,0|1,0,0]=1 237 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,0,0,0,0,0|3,0,0]=3 238 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,0,0,0,0,0|3,0,0]=3 239 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,0,0,0,0,0|3,0,0]=3 240 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,0,0,0,0,0|3,0,0]=3 241 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,0,0,0,0,0|3,0,1]=4 242 B11R1.28 CCNN=Cc1ccccn1 4a_100000756455_100000209966 [0,0,0,0,0,0|2,0,1]=3 243 B11R1.28 CCNN=Cc1ccncn1 4a_100000756455_100011744739 [0,0,0,0,0,0|3,0,1]=4 244 B11R1.28 CCNN=Cc1cnccn1 4a_100000756455_100000749867 [0,0,0,0,0,0|3,0,1]=4 245 B11R1.28 CCNN=Cc1ncccn1 4a_100000756455_100011532527 [0,0,0,0,0,0|3,0,1]=4 246 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [0,0,0,0,0,0|2,0,2]=4 247 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [0,0,0,0,0,0|1,0,2]=3 248 B11R1.28 CCOC=Cc1cccnn1 271570a_100016256518_100016991348 [0,0,0,0,0,0|2,0,2]=4 249 B11R1.28 CCOC=Cc1ccncn1 271570a_100016256518_100000703185 [0,0,0,0,0,0|2,0,2]=4 250 B11R1.28 CCOC=Cc1cnccn1 271570a_100016256518_100000758340 [0,0,0,0,0,0|2,0,2]=4 251 B11R1.28 CCOC=Cc1ncccn1 271570a_100016256518_100000211032 [0,0,0,0,0,0|2,0,2]=4 252 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,0,0,0,0,0|2,0,0]=2 253 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,0,0,0,0,0|2,0,0]=2 254 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,0,0,0,0,0|2,0,0]=2 255 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,0,0,0,0,0|1,0,0]=1 256 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,0,0,0,0,0|3,0,0]=3 257 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,0,0,0,0,0|3,0,0]=3 258 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,0,0,0,0,0|2,0,0]=2 259 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [0,0,0,0,0,0|4,0,0]=4 260 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,0,0,0,0,0|3,0,0]=3 261 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,0,0,0,0,0|3,0,0]=3 262 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,0,0,0,0,0|2,0,0]=2 263 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,0,0,0,0,0|2,0,0]=2 264 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,0,0,0,0,0|4,0,0]=4 265 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,0,0,0,0,0|4,0,0]=4 266 B11R1.28 CCOCSc1cccnn1 62a_100000739092_100016991348 [0,0,0,0,0,0|3,0,0]=3 267 B11R1.28 CCOCSc1cccnn1 62a_100016991348_100000739092 [0,0,0,0,0,0|3,0,0]=3 268 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [0,0,0,0,0,0|4,0,0]=4 269 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [0,0,0,0,0,0|4,0,0]=4 270 B11R1.28 CCOCSc1ccncn1 62a_100000703185_100000739092 [0,0,0,0,0,0|3,0,0]=3 271 B11R1.28 CCOCSc1ccncn1 62a_100000739092_100000703185 [0,0,0,0,0,0|3,0,0]=3 272 B11R1.28 CCOCSc1cnccn1 62a_100000211759_100000739092 [0,0,0,0,0,0|3,0,0]=3 273 B11R1.28 CCOCSc1cnccn1 62a_100000739092_100000211759 [0,0,0,0,0,0|3,0,0]=3 274 B11R1.28 CCOCSc1ncccn1 62a_100000211032_100000739092 [0,0,0,0,0,0|3,0,0]=3 275 B11R1.28 CCOCSc1ncccn1 62a_100000739092_100000211032 [0,0,0,0,0,0|3,0,0]=3 276 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,0,0,0,0,0|2,0,0]=2 277 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,0,0,0,0,0|2,0,0]=2 278 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,0,0,0,0,0|1,0,0]=1 279 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,0,0,0,0,0|1,0,0]=1 280 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,0,0,0,0,0|3,0,0]=3 281 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,0,0,0,0,0|3,0,0]=3 282 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,0,0,0,0,0|3,0,0]=3 283 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,0,0,0,0,0|3,0,0]=3 284 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,0,0,0,0,0|3,0,0]=3 285 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,0,0,0,0,0|3,0,0]=3 286 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,0,0,0,0,0|2,0,2]=4 287 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,0,0,0,0,0|2,0,2]=4 288 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,0,0,0,0,0|2,0,2]=4 289 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,0,0,0,0,0|2,0,2]=4 290 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,0,0,0,0,0|2,0,2]=4 291 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [0,0,0,0,0,0|2,0,2]=4 292 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [0,0,0,0,0,0|2,0,2]=4 293 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [0,0,0,0,0,0|2,0,2]=4 294 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [0,0,0,0,0,0|2,0,2]=4 295 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,0,0,0,0,0|2,0,2]=4 296 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,0,0,0,0,0|2,0,0]=2 297 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,0,0,0,0,0|2,0,0]=2 298 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,0,0,0,0,0|2,0,0]=2 299 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,0,0,0,0,0|2,0,0]=2 300 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,0,0,0,0,0|2,0,0]=2 301 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,0,0,0,0,0|3,0,0]=3 302 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,0,0,0,0,0|3,0,0]=3 303 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,0,0,0,0,0|3,0,0]=3 304 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,0,0,0,0,0|3,0,0]=3 305 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,0,0,0,0,0|3,0,0]=3 306 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,0,0,0,0,0|3,0,0]=3 307 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,0,0,0,0,0|3,0,0]=3 308 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,0,0,0,0,0|3,0,0]=3 309 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,0,0,0,0,0|3,0,0]=3 310 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,0,0,0,0,0|2,0,0]=2 311 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,0,0,0,0,0|4,0,0]=4 312 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,0,0,0,0,0|3,0,0]=3 313 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,0,0,0,0,0|3,0,0]=3 314 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,0,0,0,0,0|3,0,0]=3 315 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,0,0,0,0,0|3,0,0]=3 316 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,0,0,0,0,0|3,0,0]=3 317 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,0,0,0,0,0|3,0,0]=3 318 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,0,0,0,0,0|3,0,0]=3 319 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,0,0,0,0,0|3,0,0]=3 320 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,0,0,0,0,0|2,0,2]=4 321 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,0,0,0,0,0|2,0,2]=4 322 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,0,0,0,0,0|2,0,2]=4 323 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,0,0,0,0,0|2,0,2]=4 324 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,0,0,0,0,0|2,0,2]=4 325 B11R1.28 COCC#Cc1ccccn1 34a_100011894333_200000210301 [0,0,0,0,0,0|1,0,2]=3 326 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,0,0,0,0,0|2,0,2]=4 327 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [0,0,0,0,0,0|1,0,2]=3 328 B11R1.28 COCC=Cc1cccnn1 271570a_100016286323_100016991348 [0,0,0,0,0,0|2,0,2]=4 329 B11R1.28 COCC=Cc1ccncn1 271570a_100016286323_100000703185 [0,0,0,0,0,0|2,0,2]=4 330 B11R1.28 COCC=Cc1cnccn1 271570a_100016286323_100000758340 [0,0,0,0,0,0|2,0,2]=4 331 B11R1.28 COCC=Cc1ncccn1 271570a_100016286323_100000211032 [0,0,0,0,0,0|2,0,2]=4 332 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,0,0,0,0,0|2,0,1]=3 333 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,0,0,0,0,0|2,0,0]=2 334 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,0,0,0,0,0|2,0,0]=2 335 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,0,0,0,0,0|2,0,0]=2 336 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,0,0,0,0,0|1,0,0]=1 337 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,0,0,0,0,0|3,0,0]=3 338 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,0,0,0,0,0|3,0,0]=3 339 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,0,0,0,0,0|3,0,0]=3 340 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,0,0,0,0,0|3,0,0]=3 341 B11R1.28 COCCNc1cccnn1 27a_100000209980_100016991348 [0,0,0,0,0,0|3,0,0]=3 342 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [0,0,0,0,0,0|4,0,0]=4 343 B11R1.28 COCCNc1ccncn1 27a_100000209980_100000703185 [0,0,0,0,0,0|3,0,0]=3 344 B11R1.28 COCCNc1cnccn1 27a_100000209980_100000211759 [0,0,0,0,0,0|3,0,0]=3 345 B11R1.28 COCCNc1ncccn1 27a_100000209980_100000211032 [0,0,0,0,0,0|3,0,0]=3 346 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,0,0,0,0,0|3,0,0]=3 347 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,0,0,0,0,0|3,0,0]=3 348 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,0,0,0,0,0|3,0,0]=3 349 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,0,0,0,0,0|3,0,0]=3 350 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,0,0,0,0,0|3,0,0]=3 351 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,0,0,0,0,0|4,0,0]=4 352 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,0,0,0,0,0|4,0,0]=4 353 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,0,0,0,0,0|4,0,0]=4 354 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,0,0,0,0,0|3,0,0]=3 355 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,0,0,0,0,0|3,0,0]=3 356 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,0,0,0,0,0|3,0,0]=3 357 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,0,0,0,0,0|3,0,0]=3 358 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,0,0,0,0,0|2,0,0]=2 359 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,0,0,0,0,0|2,0,0]=2 360 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,0,0,0,0,0|2,0,0]=2 361 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,0,0,0,0,0|4,0,0]=4 362 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,0,0,0,0,0|4,0,0]=4 363 B11R1.28 COCCSc1cccnn1 62a_100000233755_100016991348 [0,0,0,0,0,0|3,0,0]=3 364 B11R1.28 COCCSc1cccnn1 62a_100016991348_100000233755 [0,0,0,0,0,0|3,0,0]=3 365 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [0,0,0,0,0,0|4,0,0]=4 366 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [0,0,0,0,0,0|4,0,0]=4 367 B11R1.28 COCCSc1ccncn1 62a_100000233755_100000703185 [0,0,0,0,0,0|3,0,0]=3 368 B11R1.28 COCCSc1ccncn1 62a_100000703185_100000233755 [0,0,0,0,0,0|3,0,0]=3 369 B11R1.28 COCCSc1cnccn1 62a_100000211759_100000233755 [0,0,0,0,0,0|3,0,0]=3 370 B11R1.28 COCCSc1cnccn1 62a_100000233755_100000211759 [0,0,0,0,0,0|3,0,0]=3 371 B11R1.28 COCCSc1ncccn1 62a_100000211032_100000233755 [0,0,0,0,0,0|3,0,0]=3 372 B11R1.28 COCCSc1ncccn1 62a_100000233755_100000211032 [0,0,0,0,0,0|3,0,0]=3 373 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,0,0,0,0,0|3,0,0]=3 374 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [0,0,0,0,0,0|3,0,0]=3 375 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,0,0,0,0,0|3,0,0]=3 376 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,0,0,0,0,0|3,0,0]=3 377 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,0,0,0,0,0|3,0,0]=3 378 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,0,0,0,0,0|3,0,0]=3 379 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,0,0,0,0,0|2,0,0]=2 380 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,0,0,0,0,0|2,0,0]=2 381 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,0,0,0,0,0|4,0,0]=4 382 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,0,0,0,0,0|4,0,0]=4 383 B11R1.28 COCSCc1cccnn1 62a_100000766300_100016990269 [0,0,0,0,0,0|3,0,0]=3 384 B11R1.28 COCSCc1cccnn1 62a_100016990269_100000766300 [0,0,0,0,0,0|3,0,0]=3 385 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,0,0,0,0,0|4,0,0]=4 386 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,0,0,0,0,0|4,0,0]=4 387 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [0,0,0,0,0,0|3,0,0]=3 388 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [0,0,0,0,0,0|3,0,0]=3 389 B11R1.28 COCSCc1ncccn1 62a_100000703007_100000766300 [0,0,0,0,0,0|3,0,0]=3 390 B11R1.28 COCSCc1ncccn1 62a_100000766300_100000703007 [0,0,0,0,0,0|3,0,0]=3 391 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,0,0,0,0,0|2,0,2]=4 392 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,0,0,0,0,0|2,0,2]=4 393 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [0,0,0,0,0,0|2,0,2]=4 394 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,0,0,0,0,0|2,0,0]=2 395 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,0,0,0,0,0|2,0,0]=2 396 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,0,0,0,0,0|3,0,0]=3 397 B11R1.28 CSCCNc1cccnn1 27a_100020590264_100016991348 [0,0,0,0,0,0|3,0,0]=3 398 B11R1.28 CSCCNc1ccncn1 27a_100020590264_100000703185 [0,0,0,0,0,0|3,0,0]=3 399 B11R1.28 CSCCNc1cnccn1 27a_100020590264_100000211759 [0,0,0,0,0,0|3,0,0]=3 400 B11R1.28 CSCCNc1ncccn1 27a_100020590264_100000211032 [0,0,0,0,0,0|3,0,0]=3 401 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,0,0,0,0,0|3,0,0]=3 402 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,0,0,0,0,0|3,0,0]=3 403 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,0,0,0,0,0|3,0,0]=3 404 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,0,0,0,0,0|3,0,0]=3 405 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,0,0,0,0,0|4,0,0]=4 406 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,0,0,0,0,0|4,0,0]=4 407 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,0,0,0,0,0|4,0,0]=4 408 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,0,0,0,0,0|3,0,0]=3 409 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,0,0,0,0,0|3,0,0]=3 410 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,0,0,0,0,0|3,0,0]=3 411 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,0,0,0,0,0|3,0,0]=3 412 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,0,0,0,0,0|2,0,0]=2 413 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,0,0,0,0,0|2,0,0]=2 414 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,0,0,0,0,0|4,0,0]=4 415 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,0,0,0,0,0|4,0,0]=4 416 B11R1.28 CSCCSc1cccnn1 62a_100000212216_100016991348 [0,0,0,0,0,0|3,0,0]=3 417 B11R1.28 CSCCSc1cccnn1 62a_100016991348_100000751147 [0,0,0,0,0,0|3,0,0]=3 418 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [0,0,0,0,0,0|4,0,0]=4 419 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [0,0,0,0,0,0|4,0,0]=4 420 B11R1.28 CSCCSc1ccncn1 62a_100000212216_100000703185 [0,0,0,0,0,0|3,0,0]=3 421 B11R1.28 CSCCSc1ccncn1 62a_100000703185_100000751147 [0,0,0,0,0,0|3,0,0]=3 422 B11R1.28 CSCCSc1cnccn1 62a_100000211759_100000751147 [0,0,0,0,0,0|3,0,0]=3 423 B11R1.28 CSCCSc1cnccn1 62a_100000212216_100000211759 [0,0,0,0,0,0|3,0,0]=3 424 B11R1.28 CSCCSc1ncccn1 62a_100000211032_100000751147 [0,0,0,0,0,0|3,0,0]=3 425 B11R1.28 CSCCSc1ncccn1 62a_100000212216_100000211032 [0,0,0,0,0,0|3,0,0]=3 426 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,0,0,0,0,0|3,0,0]=3 427 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,0,0,0,0,0|3,0,0]=3 428 B11R1.28 CSCNCc1cccnn1 2230a_100159270163_100011218213 [0,0,0,0,0,0|3,0,0]=3 429 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,0,0,0,0,0|3,0,0]=3 430 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,0,0,0,0,0|3,0,0]=3 431 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,0,0,0,0,0|3,0,0]=3 432 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,0,0,0,0,0|3,0,0]=3 433 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,0,0,0,0,0|3,0,0]=3 434 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,0,0,0,0,0|3,0,0]=3 435 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,0,0,0,0,0|3,0,0]=3 436 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,0,0,0,0,0|2,0,0]=2 437 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,0,0,0,0,0|2,0,0]=2 438 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,0,0,0,0,0|4,0,0]=4 439 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,0,0,0,0,0|4,0,0]=4 440 B11R1.28 CSCSCc1cccnn1 62a_100011218213_100016990269 [0,0,0,0,0,0|3,0,0]=3 441 B11R1.28 CSCSCc1cccnn1 62a_100016990269_100011218213 [0,0,0,0,0,0|3,0,0]=3 442 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [0,0,0,0,0,0|4,0,0]=4 443 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [0,0,0,0,0,0|4,0,0]=4 444 B11R1.28 CSCSCc1cnccn1 62a_100011218213_100016995436 [0,0,0,0,0,0|3,0,0]=3 445 B11R1.28 CSCSCc1cnccn1 62a_100016995436_100011218213 [0,0,0,0,0,0|3,0,0]=3 446 B11R1.28 CSCSCc1ncccn1 62a_100000703007_100011218213 [0,0,0,0,0,0|3,0,0]=3 447 B11R1.28 CSCSCc1ncccn1 62a_100011218213_100000703007 [0,0,0,0,0,0|3,0,0]=3 448 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,0,0,0,0,0|3,0,0]=3 449 B11R1.28 FCCCNc1cccnn1 27a_100015189416_100016991348 [0,0,0,0,0,0|3,0,0]=3 450 B11R1.28 FCCCNc1ccncn1 27a_100015189416_100000703185 [0,0,0,0,0,0|3,0,0]=3 451 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [0,0,0,0,0,0|3,0,0]=3 452 B11R1.28 FCCCNc1ncccn1 27a_100015189416_100000211032 [0,0,0,0,0,0|3,0,0]=3 453 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,0,0,0,0,0|3,0,0]=3 454 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,0,0,0,0,0|3,0,0]=3 455 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,0,0,0,0,0|4,0,0]=4 456 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,0,0,0,0,0|4,0,0]=4 457 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,0,0,0,0,0|4,0,0]=4 458 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,0,0,0,0,0|3,0,0]=3 459 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,0,0,0,0,0|3,0,0]=3 460 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,0,0,0,0,0|2,0,0]=2 461 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,0,0,0,0,0|2,0,0]=2 462 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,0,0,0,0,0|4,0,0]=4 463 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,0,0,0,0,0|4,0,0]=4 464 B11R1.28 FCCCSc1cccnn1 62a_100011934791_100016991348 [0,0,0,0,0,0|3,0,0]=3 465 B11R1.28 FCCCSc1cccnn1 62a_100016991348_100011934791 [0,0,0,0,0,0|3,0,0]=3 466 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [0,0,0,0,0,0|4,0,0]=4 467 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [0,0,0,0,0,0|4,0,0]=4 468 B11R1.28 FCCCSc1ccncn1 62a_100000703185_100011934791 [0,0,0,0,0,0|3,0,0]=3 469 B11R1.28 FCCCSc1ccncn1 62a_100011934791_100000703185 [0,0,0,0,0,0|3,0,0]=3 470 B11R1.28 FCCCSc1cnccn1 62a_100000211759_100011934791 [0,0,0,0,0,0|3,0,0]=3 471 B11R1.28 FCCCSc1cnccn1 62a_100011934791_100000211759 [0,0,0,0,0,0|3,0,0]=3 472 B11R1.28 FCCCSc1ncccn1 62a_100000211032_100011934791 [0,0,0,0,0,0|3,0,0]=3 473 B11R1.28 FCCCSc1ncccn1 62a_100011934791_100000211032 [0,0,0,0,0,0|3,0,0]=3 474 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,0,0,0,0,0|3,0,0]=3 475 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,0,0,0,0,0|3,0,0]=3 476 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,0,0,0,0,0|3,0,0]=3 477 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,0,0,0,0,0|2,0,0]=2 478 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,0,0,0,0,0|4,0,0]=4 479 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [0,0,0,0,0,0|3,0,0]=3 480 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [0,0,0,0,0,0|3,0,0]=3 481 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,0,0,0,0,0|3,0,0]=3 482 B11R1.28 FCCNCc1ncccn1 34a_100000724931_100000703007 [0,0,0,0,0,0|3,0,0]=3 483 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,0,0,0,0,0|3,0,0]=3 484 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,0,0,0,0,0|3,0,0]=3 485 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,0,0,0,0,0|3,0,0]=3 486 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,0,0,0,0,0|3,0,0]=3 487 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,0,0,0,0,0|2,0,0]=2 488 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,0,0,0,0,0|2,0,0]=2 489 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,0,0,0,0,0|4,0,0]=4 490 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,0,0,0,0,0|4,0,0]=4 491 B11R1.28 FCCSCc1cccnn1 62a_100011217306_100016990269 [0,0,0,0,0,0|3,0,0]=3 492 B11R1.28 FCCSCc1cccnn1 62a_100016990269_100011217306 [0,0,0,0,0,0|3,0,0]=3 493 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [0,0,0,0,0,0|4,0,0]=4 494 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [0,0,0,0,0,0|4,0,0]=4 495 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,0,0,0,0,0|3,0,0]=3 496 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,0,0,0,0,0|3,0,0]=3 497 B11R1.28 FCCSCc1ncccn1 62a_100000703007_100011217306 [0,0,0,0,0,0|3,0,0]=3 498 B11R1.28 FCCSCc1ncccn1 62a_100011217306_100000703007 [0,0,0,0,0,0|3,0,0]=3 499 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,0,0,0,0,0|3,0,0]=3 500 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,0,0,0,0,0|3,0,0]=3 501 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,0,0,0,0,0|3,0,0]=3 502 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,0,0,0,0,0|2,0,0]=2 503 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,0,0,0,0,0|4,0,0]=4 504 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,0,0,0,0,0|4,0,0]=4 505 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,0,0,0,0,0|3,0,0]=3 506 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,0,0,0,0,0|3,0,0]=3 507 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,0,0,0,0,0|3,0,0]=3 508 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,0,0,0,0,0|2,0,0]=2 509 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,0,0,0,0,0|2,0,0]=2 510 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,0,0,0,0,0|4,0,0]=4 511 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,0,0,0,0,0|4,0,0]=4 512 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [0,0,0,0,0,0|4,0,0]=4 513 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [0,0,0,0,0,0|4,0,0]=4 514 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,0,0,0,0,0|4,0,0]=4 515 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,0,0,0,0,0|4,0,0]=4 516 B11R1.28 N#CCCNc1cccnn1 27a_100000720768_100016991348 [0,0,0,0,0,0|3,0,1]=4 517 B11R1.28 N#CCCNc1ccncn1 27a_100000720768_100000703185 [0,0,0,0,0,0|3,0,1]=4 518 B11R1.28 N#CCCNc1cnccn1 27a_100000720768_100000211759 [0,0,0,0,0,0|3,0,1]=4 519 B11R1.28 N#CCCNc1ncccn1 27a_100000720768_100000211032 [0,0,0,0,0,0|3,0,1]=4 520 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,0,0,0,0,0|3,0,1]=4 521 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,0,0,0,0,0|3,0,1]=4 522 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,0,0,0,0,0|3,0,1]=4 523 B11R1.28 N#CCCSc1ccccn1 62a_100011215226_100011216584 [0,0,0,0,0,0|2,0,1]=3 524 B11R1.28 N#CCCSc1ccccn1 62a_100011216584_100011215226 [0,0,0,0,0,0|2,0,1]=3 525 B11R1.28 N#CCCSc1cccnn1 62a_100011215226_100016991348 [0,0,0,0,0,0|3,0,1]=4 526 B11R1.28 N#CCCSc1cccnn1 62a_100016991348_100011215226 [0,0,0,0,0,0|3,0,1]=4 527 B11R1.28 N#CCCSc1ccncn1 62a_100000703185_100011215226 [0,0,0,0,0,0|3,0,1]=4 528 B11R1.28 N#CCCSc1ccncn1 62a_100011215226_100000703185 [0,0,0,0,0,0|3,0,1]=4 529 B11R1.28 N#CCCSc1cnccn1 62a_100000211759_100011215226 [0,0,0,0,0,0|3,0,1]=4 530 B11R1.28 N#CCCSc1cnccn1 62a_100011215226_100000211759 [0,0,0,0,0,0|3,0,1]=4 531 B11R1.28 N#CCCSc1ncccn1 62a_100000211032_100011215226 [0,0,0,0,0,0|3,0,1]=4 532 B11R1.28 N#CCCSc1ncccn1 62a_100011215226_100000211032 [0,0,0,0,0,0|3,0,1]=4 533 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,0,0,0,0,0|3,0,1]=4 534 B11R1.28 N#CCNCc1cccnn1 2230a_100159270163_100011215382 [0,0,0,0,0,0|3,0,1]=4 535 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,0,0,0,0,0|3,0,1]=4 536 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,0,0,0,0,0|3,0,1]=4 537 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,0,0,0,0,0|3,0,1]=4 538 B11R1.28 N#CCSCc1ccccn1 62a_100000721315_100011215382 [0,0,0,0,0,0|2,0,1]=3 539 B11R1.28 N#CCSCc1ccccn1 62a_100011215382_100000721315 [0,0,0,0,0,0|2,0,1]=3 540 B11R1.28 N#CCSCc1cccnn1 62a_100011215382_100016990269 [0,0,0,0,0,0|3,0,1]=4 541 B11R1.28 N#CCSCc1cccnn1 62a_100016990269_100011215382 [0,0,0,0,0,0|3,0,1]=4 542 B11R1.28 N#CCSCc1cnccn1 62a_100011215382_100016995436 [0,0,0,0,0,0|3,0,1]=4 543 B11R1.28 N#CCSCc1cnccn1 62a_100016995436_100011215382 [0,0,0,0,0,0|3,0,1]=4 544 B11R1.28 N#CCSCc1ncccn1 62a_100000703007_100011215382 [0,0,0,0,0,0|3,0,1]=4 545 B11R1.28 N#CCSCc1ncccn1 62a_100011215382_100000703007 [0,0,0,0,0,0|3,0,1]=4 546 B11R1.28 N#CSCSc1ccccn1 62a_100000211825_100011216584 [0,0,0,0,0,0|3,0,1]=4 547 B11R1.28 N#CSCSc1ccccn1 62a_100011216584_100000211825 [0,0,0,0,0,0|3,0,1]=4 548 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,0,0,0,0,0|3,0,0]=3 549 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,0,0,0,0,0|2,0,0]=2 550 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,0,0,0,0,0|4,0,0]=4 551 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,0,0,0,0,0|3,0,0]=3 552 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,0,0,0,0,0|3,0,0]=3 553 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,0,0,0,0,0|3,0,0]=3 554 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,0,0,0,0,0|3,0,1]=4 555 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,0,0,0,0,0|3,0,1]=4 556 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [0,0,0,0,0,0|3,0,1]=4 557 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,0,0,0,0,0|3,0,1]=4 558 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,0,0,0,0,0|3,0,1]=4 559 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,0,0,0,0,0|3,0,1]=4 560 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,0,0,0,0,0|3,0,1]=4 561 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,0,0,0,0,0|2,0,1]=3 562 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,0,0,0,0,0|2,0,1]=3 563 B11R1.28 O=CCSCc1cccnn1 62a_100016990269_200015260668 [0,0,0,0,0,0|3,0,1]=4 564 B11R1.28 O=CCSCc1cccnn1 62a_200015260668_100016990269 [0,0,0,0,0,0|3,0,1]=4 565 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [0,0,0,0,0,0|3,0,1]=4 566 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [0,0,0,0,0,0|3,0,1]=4 567 B11R1.28 O=CCSCc1ncccn1 62a_100000703007_200015260668 [0,0,0,0,0,0|3,0,1]=4 568 B11R1.28 O=CCSCc1ncccn1 62a_200015260668_100000703007 [0,0,0,0,0,0|3,0,1]=4 569 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,0,0,0,0,0|3,0,0]=3 570 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [0,0,0,0,0,0|3,0,0]=3 571 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [0,0,0,0,0,0|3,0,0]=3 572 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,0,0,0,0,0|3,0,0]=3 573 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [0,0,0,0,0,0|3,0,0]=3 574 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,0,0,0,0,0|3,0,0]=3 575 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,0,0,0,0,0|3,0,0]=3 576 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,0,0,0,0,0|4,0,0]=4 577 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,0,0,0,0,0|4,0,0]=4 578 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,0,0,0,0,0|4,0,0]=4 579 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,0,0,0,0,0|3,0,0]=3 580 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,0,0,0,0,0|3,0,0]=3 581 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,0,0,0,0,0|2,0,0]=2 582 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,0,0,0,0,0|2,0,0]=2 583 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,0,0,0,0,0|4,0,0]=4 584 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,0,0,0,0,0|4,0,0]=4 585 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [0,0,0,0,0,0|3,0,0]=3 586 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [0,0,0,0,0,0|3,0,0]=3 587 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [0,0,0,0,0,0|4,0,0]=4 588 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [0,0,0,0,0,0|4,0,0]=4 589 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [0,0,0,0,0,0|3,0,0]=3 590 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [0,0,0,0,0,0|3,0,0]=3 591 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,0,0,0,0,0|3,0,0]=3 592 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,0,0,0,0,0|3,0,0]=3 593 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [0,0,0,0,0,0|3,0,0]=3 594 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [0,0,0,0,0,0|3,0,0]=3 595 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,0,0,0,0,0|3,0,0]=3 596 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,0,0,0,0,0|3,0,0]=3 597 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,0,0,0,0,0|3,0,0]=3 598 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,0,0,0,0,0|3,0,0]=3 599 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,0,0,0,0,0|3,0,0]=3 600 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,0,0,0,0,0|3,0,0]=3 601 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,0,0,0,0,0|2,0,0]=2 602 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,0,0,0,0,0|2,0,0]=2 603 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,0,0,0,0,0|2,0,0]=2 604 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,0,0,0,0,0|2,0,0]=2 605 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,0,0,0,0,0|4,0,0]=4 606 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,0,0,0,0,0|4,0,0]=4 607 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,0,0,0,0,0|4,0,0]=4 608 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,0,0,0,0,0|4,0,0]=4 609 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,0,0,0,0,0|3,0,0]=3 610 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,0,0,0,0,0|3,0,0]=3 611 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,0,0,0,0,0|3,0,0]=3 612 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,0,0,0,0,0|4,0,0]=4 613 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,0,0,0,0,0|4,0,0]=4 614 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,0,0,0,0,0|3,0,0]=3 615 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,0,0,0,0,0|3,0,0]=3 616 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,0,0,0,0,0|3,0,0]=3 617 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [0,0,0,0,0,0|3,0,0]=3 618 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [0,0,0,0,0,0|3,0,0]=3 619 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [0,0,0,0,0,0|3,0,0]=3 620 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,0,0,0,0,0|3,0,0]=3 621 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,0,0,0,0,0|3,0,0]=3 622 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,0,0,0,0,0|3,0,0]=3 623 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,0,0,0,0,0|3,0,0]=3 624 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,0,0,0,0,0|2,0,0]=2 625 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,0,0,0,0,0|2,0,0]=2 626 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,0,0,0,0,0|4,0,0]=4 627 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,0,0,0,0,0|4,0,0]=4 628 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,0,0,0,0,0|3,0,0]=3 629 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,0,0,0,0,0|3,0,0]=3 630 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,0,0,0,0,0|4,0,0]=4 631 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,0,0,0,0,0|4,0,0]=4 632 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,0,0,0,0,0|3,0,0]=3 633 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,0,0,0,0,0|3,0,0]=3 634 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [0,0,0,0,0,0|3,0,0]=3 635 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [0,0,0,0,0,0|3,0,0]=3 636 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,0,0,0,0,0|2,0,2]=4 637 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,0,0,0,0,0|2,0,2]=4 638 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [0,0,0,0,0,0|2,0,2]=4 639 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,0,0,0,0,0|2,0,0]=2 640 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,0,0,0,0,0|2,0,0]=2 641 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,0,0,0,0,0|3,0,0]=3 642 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,0,0,0,0,0|3,0,0]=3 643 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,0,0,0,0,0|3,0,0]=3 644 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,0,0,0,0,0|3,0,0]=3 645 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,0,0,0,0,0|3,0,0]=3 646 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,0,0,0,0,0|2,0,0]=2 647 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,0,0,0,0,0|4,0,0]=4 648 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,0,0,0,0,0|3,0,0]=3 649 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,0,0,0,0,0|2,0,2]=4 650 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,0,0,0,0,0|2,0,2]=4 651 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,0,0,0,0,0|2,0,2]=4 652 B11R1.28 [13CH3]OCC#Cc1ccccn1 34a_100011894333_200025704644 [0,0,0,0,0,0|1,0,2]=3 653 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,0,0,0,0,0|2,0,1]=3 654 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,0,0,0,0,0|2,0,0]=2 655 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,0,0,0,0,0|2,0,0]=2 656 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,0,0,0,0,0|1,0,0]=1 657 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,0,0,0,0,0|3,0,0]=3 658 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,0,0,0,0,0|3,0,0]=3 659 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,0,0,0,0,0|3,0,0]=3 660 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [0,0,0,0,0,0|4,0,0]=4 661 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,0,0,0,0,0|3,0,0]=3 662 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,0,0,0,0,0|3,0,0]=3 663 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,0,0,0,0,0|3,0,0]=3 664 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,0,0,0,0,0|2,0,0]=2 665 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,0,0,0,0,0|2,0,2]=4 666 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,0,0,0,0,0|2,0,2]=4 667 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [0,0,0,0,0,0|2,0,2]=4 668 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,0,0,0,0,0|2,0,0]=2 669 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,0,0,0,0,0|2,0,0]=2 670 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,0,0,0,0,0|3,0,0]=3 671 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,0,0,0,0,0|3,0,0]=3 672 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,0,0,0,0,0|3,0,0]=3 673 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,0,0,0,0,0|3,0,0]=3 674 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,0,0,0,0,0|3,0,0]=3 675 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,0,0,0,0,0|3,0,0]=3 676 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,0,0,0,0,0|3,0,0]=3 677 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,0,0,0,0,0|3,0,0]=3 678 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [1,0,0,0,0,0|1,0,2]=4 679 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [1,0,0,0,0,0|1,0,2]=4 680 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [1,0,0,0,0,0|1,0,2]=4 681 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [1,0,0,0,0,0|2,0,1]=4 682 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|1,0,0]=2 683 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|0,0,0]=1 684 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|2,0,0]=3 685 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,0|1,0,0]=2 686 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|2,0,0]=3 687 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,0|1,0,0]=2 688 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,0,0,0,0|3,0,0]=4 689 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,0|1,0,0]=2 690 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,0,0,0,0|3,0,0]=4 691 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,0|1,0,0]=2 692 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,0]=3 693 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 694 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 695 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 696 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 697 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|3,0,0]=4 698 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|2,0,0]=3 699 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|2,0,0]=3 700 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|1,0,0]=2 701 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|1,0,0]=2 702 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|3,0,0]=4 703 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|3,0,0]=4 704 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [1,0,0,0,0,0|2,0,0]=3 705 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [1,0,0,0,0,0|2,0,0]=3 706 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|3,0,0]=4 707 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|3,0,0]=4 708 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [1,0,0,0,0,0|2,0,0]=3 709 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [1,0,0,0,0,0|2,0,0]=3 710 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [1,0,0,0,0,0|2,0,0]=3 711 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [1,0,0,0,0,0|2,0,0]=3 712 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [1,0,0,0,0,0|2,0,0]=3 713 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [1,0,0,0,0,0|2,0,0]=3 714 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 715 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 716 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|2,0,0]=3 717 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 718 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 719 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|1,0,0]=2 720 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|1,0,0]=2 721 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|1,0,0]=2 722 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 723 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|3,0,0]=4 724 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 725 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [1,0,0,0,0,0|2,0,0]=3 726 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [1,0,0,0,0,0|2,0,0]=3 727 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|3,0,0]=4 728 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|3,0,0]=4 729 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [1,0,0,0,0,0|2,0,0]=3 730 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [1,0,0,0,0,0|2,0,0]=3 731 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [1,0,0,0,0,0|2,0,0]=3 732 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [1,0,0,0,0,0|2,0,0]=3 733 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 734 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|2,0,0]=3 735 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 736 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|1,0,0]=2 737 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|3,0,0]=4 738 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,0,0,0,0,0|2,0,0]=3 739 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,0,0,0,0,0|2,0,0]=3 740 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [1,0,0,0,0,0|2,0,0]=3 741 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|2,0,0]=3 742 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|2,0,0]=3 743 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|1,0,0]=2 744 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|1,0,0]=2 745 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|3,0,0]=4 746 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|3,0,0]=4 747 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [1,0,0,0,0,0|2,0,0]=3 748 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [1,0,0,0,0,0|2,0,0]=3 749 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|3,0,0]=4 750 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|3,0,0]=4 751 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [1,0,0,0,0,0|2,0,0]=3 752 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [1,0,0,0,0,0|2,0,0]=3 753 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [1,0,0,0,0,0|2,0,0]=3 754 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [1,0,0,0,0,0|2,0,0]=3 755 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|2,0,0]=3 756 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|2,0,0]=3 757 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|2,0,0]=3 758 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|2,0,0]=3 759 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|2,0,0]=3 760 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|1,0,0]=2 761 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|1,0,0]=2 762 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|3,0,0]=4 763 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|3,0,0]=4 764 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|3,0,0]=4 765 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|3,0,0]=4 766 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|3,0,0]=4 767 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|3,0,0]=4 768 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|2,0,0]=3 769 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|2,0,0]=3 770 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|2,0,0]=3 771 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|1,0,0]=2 772 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|3,0,0]=4 773 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|3,0,0]=4 774 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,0,0,0,0|2,0,0]=3 775 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|3,0,0]=4 776 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|3,0,0]=4 777 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,0,0,0,0,0|2,0,0]=3 778 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,0,0,0,0,0|2,0,0]=3 779 B10R1.17 COCSc1cccnn1 62a_100000766300_100016991348 [1,0,0,0,0,0|3,0,0]=4 780 B10R1.17 COCSc1cccnn1 62a_100016991348_100000766300 [1,0,0,0,0,0|3,0,0]=4 781 B10R1.17 COCSc1ccncn1 62a_100000703185_100000766300 [1,0,0,0,0,0|3,0,0]=4 782 B10R1.17 COCSc1ccncn1 62a_100000766300_100000703185 [1,0,0,0,0,0|3,0,0]=4 783 B10R1.17 COCSc1cnccn1 62a_100000211759_100000766300 [1,0,0,0,0,0|3,0,0]=4 784 B10R1.17 COCSc1cnccn1 62a_100000766300_100000211759 [1,0,0,0,0,0|3,0,0]=4 785 B10R1.17 COCSc1ncccn1 62a_100000211032_100000766300 [1,0,0,0,0,0|3,0,0]=4 786 B10R1.17 COCSc1ncccn1 62a_100000766300_100000211032 [1,0,0,0,0,0|3,0,0]=4 787 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|2,0,0]=3 788 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|2,0,0]=3 789 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|1,0,0]=2 790 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|1,0,0]=2 791 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|3,0,0]=4 792 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|3,0,0]=4 793 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|3,0,0]=4 794 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|3,0,0]=4 795 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|3,0,0]=4 796 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|3,0,0]=4 797 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|3,0,0]=4 798 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|3,0,0]=4 799 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|3,0,0]=4 800 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|3,0,0]=4 801 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [1,0,0,0,0,0|2,0,0]=3 802 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [1,0,0,0,0,0|2,0,0]=3 803 B10R1.17 CSCSc1cccnn1 62a_100011218213_100016991348 [1,0,0,0,0,0|3,0,0]=4 804 B10R1.17 CSCSc1cccnn1 62a_100016991348_100011218213 [1,0,0,0,0,0|3,0,0]=4 805 B10R1.17 CSCSc1ccncn1 62a_100000703185_100011218213 [1,0,0,0,0,0|3,0,0]=4 806 B10R1.17 CSCSc1ccncn1 62a_100011218213_100000703185 [1,0,0,0,0,0|3,0,0]=4 807 B10R1.17 CSCSc1cnccn1 62a_100000211759_100011218213 [1,0,0,0,0,0|3,0,0]=4 808 B10R1.17 CSCSc1cnccn1 62a_100011218213_100000211759 [1,0,0,0,0,0|3,0,0]=4 809 B10R1.17 CSCSc1ncccn1 62a_100000211032_100011218213 [1,0,0,0,0,0|3,0,0]=4 810 B10R1.17 CSCSc1ncccn1 62a_100011218213_100000211032 [1,0,0,0,0,0|3,0,0]=4 811 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|3,0,0]=4 812 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 813 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 814 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|3,0,0]=4 815 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|3,0,0]=4 816 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [1,0,0,0,0,0|2,0,0]=3 817 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [1,0,0,0,0,0|2,0,0]=3 818 B10R1.17 FCCSc1cccnn1 62a_100011217306_100016991348 [1,0,0,0,0,0|3,0,0]=4 819 B10R1.17 FCCSc1cccnn1 62a_100016991348_100011217306 [1,0,0,0,0,0|3,0,0]=4 820 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [1,0,0,0,0,0|3,0,0]=4 821 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [1,0,0,0,0,0|3,0,0]=4 822 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [1,0,0,0,0,0|3,0,0]=4 823 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [1,0,0,0,0,0|3,0,0]=4 824 B10R1.17 FCCSc1ncccn1 62a_100000211032_100011217306 [1,0,0,0,0,0|3,0,0]=4 825 B10R1.17 FCCSc1ncccn1 62a_100011217306_100000211032 [1,0,0,0,0,0|3,0,0]=4 826 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|3,0,0]=4 827 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 828 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 829 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|3,0,0]=4 830 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|3,0,0]=4 831 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [1,0,0,0,0,0|2,0,0]=3 832 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [1,0,0,0,0,0|2,0,0]=3 833 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [1,0,0,0,0,0|3,0,0]=4 834 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [1,0,0,0,0,0|3,0,0]=4 835 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [1,0,0,0,0,0|3,0,0]=4 836 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [1,0,0,0,0,0|3,0,0]=4 837 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [1,0,0,0,0,0|3,0,0]=4 838 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [1,0,0,0,0,0|3,0,0]=4 839 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [1,0,0,0,0,0|2,0,1]=4 840 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [1,0,0,0,0,0|2,0,1]=4 841 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,0,0,0,0,0|2,0,1]=4 842 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,0,0,0,0,0|2,0,1]=4 843 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|3,0,0]=4 844 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [1,0,0,0,0,0|3,0,0]=4 845 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [1,0,0,0,0,0|3,0,0]=4 846 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [1,0,0,0,0,0|3,0,0]=4 847 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [1,0,0,0,0,0|3,0,0]=4 848 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 849 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 850 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|3,0,0]=4 851 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|3,0,0]=4 852 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,0,0,0,0,0|2,0,0]=3 853 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,0,0,0,0,0|2,0,0]=3 854 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [1,0,0,0,0,0|3,0,0]=4 855 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [1,0,0,0,0,0|3,0,0]=4 856 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [1,0,0,0,0,0|3,0,0]=4 857 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [1,0,0,0,0,0|3,0,0]=4 858 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [1,0,0,0,0,0|3,0,0]=4 859 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [1,0,0,0,0,0|3,0,0]=4 860 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [1,0,0,0,0,0|3,0,0]=4 861 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [1,0,0,0,0,0|3,0,0]=4 862 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|2,0,0]=3 863 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|2,0,0]=3 864 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|3,0,0]=4 865 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|2,0,0]=3 866 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|2,0,0]=3 867 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|1,0,0]=2 868 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|3,0,0]=4 869 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|3,0,0]=4 870 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,0,0,0,0|2,0,0]=3 871 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|2,0,0]=3 872 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|2,0,0]=3 873 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|1,0,0]=2 874 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|1,0,0]=2 875 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|3,0,0]=4 876 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|3,0,0]=4 877 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|3,0,0]=4 878 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|3,0,0]=4 879 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|3,0,0]=4 880 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|3,0,0]=4 881 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.1 BrCCOCc1ccc(cn1)Br 34a_100000211926_100000702658 [0,1,0,0,0,0|2,0,0]=3 884 B12R1.1 BrCCOCc1ncc(cn1)Br 34a_100000211926_100010064664 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.1 C#CCCNc1ccc(cn1)Br 27a_100000755551_100000686858 [0,1,0,0,0,0|1,0,2]=4 886 B12R1.1 C#CCCOc1ccc(cn1)C 34a_100000759353_100000688953 [0,1,0,0,0,0|1,0,2]=4 887 B12R1.1 C#CCCOc1ccc(cn1)Cl 34a_100011215309_100000688953 [0,1,0,0,0,0|1,0,2]=4 888 B12R1.1 C#CCCOc1ccc(cn1)F 34a_100000742473_100000688953 [0,1,0,0,0,0|1,0,2]=4 889 B12R1.1 C#CCCOc1ccc(cn1)N 34a_100000729260_100000688953 [0,1,0,0,0,0|1,0,2]=4 890 B12R1.1 C#CCCSc1ccc(cn1)Br 62a_100000686858_100000688953 [0,1,0,0,0,0|1,0,2]=4 891 B12R1.1 C#CCCSc1ccc(cn1)Br 62a_100000688953_100000686858 [0,1,0,0,0,0|1,0,2]=4 892 B12R1.1 C#CCCSc1ccc(cn1)C 62a_100000688953_100000754016 [0,1,0,0,0,0|1,0,2]=4 893 B12R1.1 C#CCCSc1ccc(cn1)C 62a_100011192072_100000688953 [0,1,0,0,0,0|1,0,2]=4 894 B12R1.1 C#CCCSc1ccc(cn1)Cl 62a_100000688953_100011356976 [0,1,0,0,0,0|1,0,2]=4 895 B12R1.1 C#CCCSc1ccc(cn1)Cl 62a_100011356976_100000688953 [0,1,0,0,0,0|1,0,2]=4 896 B12R1.1 C#CCCSc1ccc(cn1)F 62a_100000688953_100000744514 [0,1,0,0,0,0|1,0,2]=4 897 B12R1.1 C#CCCSc1ccc(cn1)F 62a_100000744514_100000688953 [0,1,0,0,0,0|1,0,2]=4 898 B12R1.1 C#CCCSc1ccc(cn1)N 62a_100000688953_100000737798 [0,1,0,0,0,0|1,0,2]=4 899 B12R1.1 C#CCCSc1ccc(cn1)N 62a_100000737798_100000688953 [0,1,0,0,0,0|1,0,2]=4 900 B12R1.1 C#CCCSc1ccc(cn1)O 62a_100000685995_100000688953 [0,1,0,0,0,0|1,0,2]=4 901 B12R1.1 C#CCCSc1ccc(cn1)O 62a_100000688953_100000744096 [0,1,0,0,0,0|1,0,2]=4 902 B12R1.1 C#CCNCc1ccc(cn1)Br 34a_100000212058_100000702658 [0,1,0,0,0,0|1,0,2]=4 903 B12R1.1 C#CCNCc1ccc(cn1)Br 34a_100015188789_100000184674 [0,1,0,0,0,0|1,0,2]=4 904 B12R1.1 C#CCNCc1ccc(cn1)C 34a_100000212058_100000691093 [0,1,0,0,0,0|1,0,2]=4 905 B12R1.1 C#CCNCc1ccc(cn1)C 34a_100015187455_100000184674 [0,1,0,0,0,0|1,0,2]=4 906 B12R1.1 C#CCNCc1ccc(cn1)Cl 34a_100000212058_100012066911 [0,1,0,0,0,0|1,0,2]=4 907 B12R1.1 C#CCNCc1ccc(cn1)Cl 34a_100000697193_100000184674 [0,1,0,0,0,0|1,0,2]=4 908 B12R1.1 C#CCNCc1ccc(cn1)F 34a_100000212058_100000703193 [0,1,0,0,0,0|1,0,2]=4 909 B12R1.1 C#CCNCc1ccc(cn1)F 34a_100020620131_100000184674 [0,1,0,0,0,0|1,0,2]=4 910 B12R1.1 C#CCOCc1ccc(cn1)Br 34a_100000210247_100000702658 [0,1,0,0,0,0|1,0,2]=4 911 B12R1.1 C#CCOCc1ccc(cn1)Br 34a_100000754261_100000184674 [0,1,0,0,0,0|1,0,2]=4 912 B12R1.1 C#CCOCc1ccc(cn1)C 34a_100000210247_100000691093 [0,1,0,0,0,0|1,0,2]=4 913 B12R1.1 C#CCOCc1ccc(cn1)C 34a_100012001401_100000184674 [0,1,0,0,0,0|1,0,2]=4 914 B12R1.1 C#CCOCc1ccc(cn1)Cl 34a_100000210247_100012066911 [0,1,0,0,0,0|1,0,2]=4 915 B12R1.1 C#CCOCc1ccc(cn1)Cl 34a_100000703999_100000184674 [0,1,0,0,0,0|1,0,2]=4 916 B12R1.1 C#CCOCc1ccc(cn1)F 34a_100000210247_100000703193 [0,1,0,0,0,0|1,0,2]=4 917 B12R1.1 C#CCOCc1ccc(cn1)F 34a_100011999454_100000184674 [0,1,0,0,0,0|1,0,2]=4 918 B12R1.1 C#CCOCc1ccc(cn1)N 34a_100011998161_100000184674 [0,1,0,0,0,0|1,0,2]=4 919 B12R1.1 C#CCSCc1ccc(cn1)Br 62a_100000038162_100000702658 [0,1,0,0,0,0|1,0,2]=4 920 B12R1.1 C#CCSCc1ccc(cn1)C 62a_100000038162_100000691093 [0,1,0,0,0,0|1,0,2]=4 921 B12R1.1 C#CCSCc1ccc(cn1)Cl 62a_100000038162_100000697101 [0,1,0,0,0,0|1,0,2]=4 922 B12R1.1 C#CCSCc1ccc(cn1)F 62a_100000038162_100000703193 [0,1,0,0,0,0|1,0,2]=4 923 B12R1.1 C/C=C/COc1ccc(cn1)C 34a_100000759353_100102629194 [0,1,0,0,0,0|1,0,2]=4 924 B12R1.1 C/C=C/COc1ccc(cn1)Cl 34a_100011215309_100102629194 [0,1,0,0,0,0|1,0,2]=4 925 B12R1.1 C/C=C/COc1ccc(cn1)F 34a_100000742473_100102629194 [0,1,0,0,0,0|1,0,2]=4 926 B12R1.1 C/C=C/COc1ccc(cn1)N 34a_100000729260_100102629194 [0,1,0,0,0,0|1,0,2]=4 927 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100000686858_100102629194 [0,1,0,0,0,0|1,0,2]=4 928 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100102629194_100000686858 [0,1,0,0,0,0|1,0,2]=4 929 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100011192072_100102629194 [0,1,0,0,0,0|1,0,2]=4 930 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100102629194_100000754016 [0,1,0,0,0,0|1,0,2]=4 931 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100011356976_100102629194 [0,1,0,0,0,0|1,0,2]=4 932 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100102629194_100011356976 [0,1,0,0,0,0|1,0,2]=4 933 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100000744514_100102629194 [0,1,0,0,0,0|1,0,2]=4 934 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100102629194_100000744514 [0,1,0,0,0,0|1,0,2]=4 935 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100000737798_100102629194 [0,1,0,0,0,0|1,0,2]=4 936 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100102629194_100000737798 [0,1,0,0,0,0|1,0,2]=4 937 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100000685995_100102629194 [0,1,0,0,0,0|1,0,2]=4 938 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100102629194_100000744096 [0,1,0,0,0,0|1,0,2]=4 939 B12R1.1 C=CCCNc1ccc(cn1)Br 27a_100015191253_100000686858 [0,1,0,0,0,0|1,0,2]=4 940 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [0,1,0,0,0,0|1,0,2]=4 941 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [0,1,0,0,0,0|1,0,2]=4 942 B12R1.1 C=CCCOc1ccc(cn1)F 34a_100000742473_100000754431 [0,1,0,0,0,0|1,0,2]=4 943 B12R1.1 C=CCCOc1ccc(cn1)N 34a_100000729260_100000754431 [0,1,0,0,0,0|1,0,2]=4 944 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000686858_100000754431 [0,1,0,0,0,0|1,0,2]=4 945 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000754431_100000686858 [0,1,0,0,0,0|1,0,2]=4 946 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100000754431_100000754016 [0,1,0,0,0,0|1,0,2]=4 947 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100011192072_100000754431 [0,1,0,0,0,0|1,0,2]=4 948 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100000754431_100011356976 [0,1,0,0,0,0|1,0,2]=4 949 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100011356976_100000754431 [0,1,0,0,0,0|1,0,2]=4 950 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000744514_100000754431 [0,1,0,0,0,0|1,0,2]=4 951 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000754431_100000744514 [0,1,0,0,0,0|1,0,2]=4 952 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000737798_100000754431 [0,1,0,0,0,0|1,0,2]=4 953 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000754431_100000737798 [0,1,0,0,0,0|1,0,2]=4 954 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000685995_100000754431 [0,1,0,0,0,0|1,0,2]=4 955 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000754431_100000744096 [0,1,0,0,0,0|1,0,2]=4 956 B12R1.1 C=CCNCc1ccc(cn1)Br 2230a_100020586998_100000702658 [0,1,0,0,0,0|1,0,2]=4 957 B12R1.1 C=CCNCc1ccc(cn1)Br 270004a_100020586998_100000754260 [0,1,0,0,0,0|1,0,2]=4 958 B12R1.1 C=CCNCc1ccc(cn1)Br 34a_100015188789_100015514636 [0,1,0,0,0,0|1,0,2]=4 959 B12R1.1 C=CCNCc1ccc(cn1)C 2230a_100020586998_100000691093 [0,1,0,0,0,0|1,0,2]=4 960 B12R1.1 C=CCNCc1ccc(cn1)C 270004a_100020586998_100000050478 [0,1,0,0,0,0|1,0,2]=4 961 B12R1.1 C=CCNCc1ccc(cn1)C 34a_100015187455_100015514636 [0,1,0,0,0,0|1,0,2]=4 962 B12R1.1 C=CCNCc1ccc(cn1)Cl 2230a_100020586998_100012066911 [0,1,0,0,0,0|1,0,2]=4 963 B12R1.1 C=CCNCc1ccc(cn1)Cl 270004a_100020586998_100011361569 [0,1,0,0,0,0|1,0,2]=4 964 B12R1.1 C=CCNCc1ccc(cn1)Cl 34a_100000697193_100015514636 [0,1,0,0,0,0|1,0,2]=4 965 B12R1.1 C=CCNCc1ccc(cn1)F 2230a_100020586998_100000703193 [0,1,0,0,0,0|1,0,2]=4 966 B12R1.1 C=CCNCc1ccc(cn1)F 270004a_100020586998_100011934744 [0,1,0,0,0,0|1,0,2]=4 967 B12R1.1 C=CCNCc1ccc(cn1)F 34a_100020620131_100015514636 [0,1,0,0,0,0|1,0,2]=4 968 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_100000754261_100015514636 [0,1,0,0,0,0|1,0,2]=4 969 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_200000210373_100000702658 [0,1,0,0,0,0|1,0,2]=4 970 B12R1.1 C=CCOCc1ccc(cn1)C 34a_100012001401_100015514636 [0,1,0,0,0,0|1,0,2]=4 971 B12R1.1 C=CCOCc1ccc(cn1)C 34a_200000210373_100000691093 [0,1,0,0,0,0|1,0,2]=4 972 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_100000703999_100015514636 [0,1,0,0,0,0|1,0,2]=4 973 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_200000210373_100012066911 [0,1,0,0,0,0|1,0,2]=4 974 B12R1.1 C=CCOCc1ccc(cn1)F 34a_100011999454_100015514636 [0,1,0,0,0,0|1,0,2]=4 975 B12R1.1 C=CCOCc1ccc(cn1)F 34a_200000210373_100000703193 [0,1,0,0,0,0|1,0,2]=4 976 B12R1.1 C=CCOCc1ccc(cn1)N 34a_100011998161_100015514636 [0,1,0,0,0,0|1,0,2]=4 977 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000210623_100000702658 [0,1,0,0,0,0|1,0,2]=4 978 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000702658_100000210623 [0,1,0,0,0,0|1,0,2]=4 979 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000210623_100000691093 [0,1,0,0,0,0|1,0,2]=4 980 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000691093_100000210623 [0,1,0,0,0,0|1,0,2]=4 981 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100000210623_100000697101 [0,1,0,0,0,0|1,0,2]=4 982 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100012066911_100000210623 [0,1,0,0,0,0|1,0,2]=4 983 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000210623_100000703193 [0,1,0,0,0,0|1,0,2]=4 984 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000703193_100000210623 [0,1,0,0,0,0|1,0,2]=4 985 B12R1.1 CC#CCNc1ccc(cn1)Br 27a_100000685387_100000686858 [0,1,0,0,0,0|1,0,2]=4 986 B12R1.1 CC#CCOc1ccc(cn1)C 34a_100000759353_100000748600 [0,1,0,0,0,0|1,0,2]=4 987 B12R1.1 CC#CCOc1ccc(cn1)Cl 34a_100011215309_100000748600 [0,1,0,0,0,0|1,0,2]=4 988 B12R1.1 CC#CCOc1ccc(cn1)F 34a_100000742473_100000748600 [0,1,0,0,0,0|1,0,2]=4 989 B12R1.1 CC#CCOc1ccc(cn1)N 34a_100000729260_100000748600 [0,1,0,0,0,0|1,0,2]=4 990 B12R1.1 CC#CCSc1ccc(cn1)Br 62a_100000686858_100000748600 [0,1,0,0,0,0|1,0,2]=4 991 B12R1.1 CC#CCSc1ccc(cn1)Br 62a_100000748600_100000686858 [0,1,0,0,0,0|1,0,2]=4 992 B12R1.1 CC#CCSc1ccc(cn1)C 62a_100000748600_100000754016 [0,1,0,0,0,0|1,0,2]=4 993 B12R1.1 CC#CCSc1ccc(cn1)C 62a_100011192072_100000748600 [0,1,0,0,0,0|1,0,2]=4 994 B12R1.1 CC#CCSc1ccc(cn1)Cl 62a_100000748600_100011356976 [0,1,0,0,0,0|1,0,2]=4 995 B12R1.1 CC#CCSc1ccc(cn1)Cl 62a_100011356976_100000748600 [0,1,0,0,0,0|1,0,2]=4 996 B12R1.1 CC#CCSc1ccc(cn1)F 62a_100000744514_100000748600 [0,1,0,0,0,0|1,0,2]=4 997 B12R1.1 CC#CCSc1ccc(cn1)F 62a_100000748600_100000744514 [0,1,0,0,0,0|1,0,2]=4 998 B12R1.1 CC#CCSc1ccc(cn1)N 62a_100000737798_100000748600 [0,1,0,0,0,0|1,0,2]=4 999 B12R1.1 CC#CCSc1ccc(cn1)N 62a_100000748600_100000737798 [0,1,0,0,0,0|1,0,2]=4 1000 B12R1.1 CC#CCSc1ccc(cn1)O 62a_100000685995_100000748600 [0,1,0,0,0,0|1,0,2]=4 1001 B12R1.1 CC#CCSc1ccc(cn1)O 62a_100000748600_100000744096 [0,1,0,0,0,0|1,0,2]=4 1002 B12R1.1 CC=CCOc1ccc(cn1)C 34a_100000759353_100000070051 [0,1,0,0,0,0|1,0,2]=4 1003 B12R1.1 CC=CCOc1ccc(cn1)Cl 34a_100011215309_100000070051 [0,1,0,0,0,0|1,0,2]=4 1004 B12R1.1 CC=CCOc1ccc(cn1)F 34a_100000742473_100000070051 [0,1,0,0,0,0|1,0,2]=4 1005 B12R1.1 CC=CCOc1ccc(cn1)N 34a_100000729260_100000070051 [0,1,0,0,0,0|1,0,2]=4 1006 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000070051_100000686858 [0,1,0,0,0,0|1,0,2]=4 1007 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000686858_100000070051 [0,1,0,0,0,0|1,0,2]=4 1008 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100000070051_100000754016 [0,1,0,0,0,0|1,0,2]=4 1009 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100011192072_100000070051 [0,1,0,0,0,0|1,0,2]=4 1010 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100000070051_100011356976 [0,1,0,0,0,0|1,0,2]=4 1011 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100011356976_100000070051 [0,1,0,0,0,0|1,0,2]=4 1012 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000070051_100000744514 [0,1,0,0,0,0|1,0,2]=4 1013 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000744514_100000070051 [0,1,0,0,0,0|1,0,2]=4 1014 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000070051_100000737798 [0,1,0,0,0,0|1,0,2]=4 1015 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000737798_100000070051 [0,1,0,0,0,0|1,0,2]=4 1016 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000070051_100000744096 [0,1,0,0,0,0|1,0,2]=4 1017 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000685995_100000070051 [0,1,0,0,0,0|1,0,2]=4 1018 B12R1.1 CCC=NNc1ccc(cn1)Br 4a_100000750576_100000210100 [0,1,0,0,0,0|2,0,1]=4 1019 B12R1.1 CCC=NNc1ccc(cn1)C 4a_100000746693_100000210100 [0,1,0,0,0,0|2,0,1]=4 1020 B12R1.1 CCC=NNc1ccc(cn1)Cl 4a_100011206499_100000210100 [0,1,0,0,0,0|2,0,1]=4 1021 B12R1.1 CCC=NNc1ccc(cn1)F 4a_100000753838_100000210100 [0,1,0,0,0,0|2,0,1]=4 1022 B12R1.1 CCC=NNc1ccc(cn1)I 4a_100010221006_100000210100 [0,1,0,0,0,0|2,0,1]=4 1023 B12R1.1 CCCC=Cc1ccc(=O)[nH]n1 271570a_100016258520_100009820020 [0,1,0,0,0,0|1,0,2]=4 1024 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [0,1,0,0,0,0|1,0,2]=4 1025 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [0,1,0,0,0,0|1,0,2]=4 1026 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [0,1,0,0,0,0|1,0,2]=4 1027 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [0,1,0,0,0,0|1,0,2]=4 1028 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [0,1,0,0,0,0|1,0,2]=4 1029 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,1,0,0,0,0|1,0,2]=4 1030 B12R1.1 CCCC=Cc1ccc(cn1)Br 271570a_100016258520_100000686858 [0,1,0,0,0,0|0,0,2]=3 1031 B12R1.1 CCCC=Cc1ccc(cn1)C 271570a_100016258520_100000754016 [0,1,0,0,0,0|0,0,2]=3 1032 B12R1.1 CCCC=Cc1ccc(cn1)Cl 271570a_100016258520_100011356976 [0,1,0,0,0,0|0,0,2]=3 1033 B12R1.1 CCCC=Cc1ccc(cn1)F 271570a_100016258520_100000744514 [0,1,0,0,0,0|0,0,2]=3 1034 B12R1.1 CCCC=Cc1ccc(cn1)N 271570a_100016258520_100000744251 [0,1,0,0,0,0|0,0,2]=3 1035 B12R1.1 CCCC=Cc1ccc(cn1)O 271570a_100016258520_100000685995 [0,1,0,0,0,0|0,0,2]=3 1036 B12R1.1 CCCC=Cc1ccc(nn1)C 271570a_100016258520_100011450037 [0,1,0,0,0,0|1,0,2]=4 1037 B12R1.1 CCCC=Cc1ccc(nn1)N 271570a_100016258520_100009816609 [0,1,0,0,0,0|1,0,2]=4 1038 B12R1.1 CCCC=Cc1cnc(cn1)C 271570a_100016258520_100011999403 [0,1,0,0,0,0|1,0,2]=4 1039 B12R1.1 CCCC=Cc1cnc(cn1)F 271570a_100016258520_100009856528 [0,1,0,0,0,0|1,0,2]=4 1040 B12R1.1 CCCC=Cc1cnc(cn1)N 271570a_100016258520_100000761932 [0,1,0,0,0,0|1,0,2]=4 1041 B12R1.1 CCCC=Cc1ncc(cn1)Br 271570a_100016258520_100000690281 [0,1,0,0,0,0|1,0,2]=4 1042 B12R1.1 CCCC=Cc1ncc(cn1)C 271570a_100016258520_100011825175 [0,1,0,0,0,0|1,0,2]=4 1043 B12R1.1 CCCC=Cc1ncc(cn1)Cl 271570a_100016258520_100011356929 [0,1,0,0,0,0|1,0,2]=4 1044 B12R1.1 CCCC=Cc1ncc(cn1)F 271570a_100016258520_100000685220 [0,1,0,0,0,0|1,0,2]=4 1045 B12R1.1 CCCC=Cc1ncc(cn1)N 271570a_100016258520_100000068403 [0,1,0,0,0,0|1,0,2]=4 1046 B12R1.1 CCCC=Cc1ncc(cn1)O 271570a_100016258520_100000730009 [0,1,0,0,0,0|1,0,2]=4 1047 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,1,0,0,0,0|1,0,0]=2 1048 B12R1.1 CCCCCc1cnc(nc1)O 271570a_203496583355_200000062305 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,1,0,0,0,0|2,0,0]=3 1050 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,1,0,0,0,0|2,0,0]=3 1051 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,1,0,0,0,0|2,0,0]=3 1052 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,1,0,0,0,0|2,0,0]=3 1053 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,1,0,0,0,0|2,0,0]=3 1054 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,1,0,0,0,0|2,0,0]=3 1055 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,1,0,0,0,0|2,0,0]=3 1056 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,1,0,0,0,0|2,0,0]=3 1057 B12R1.1 CCCCNc1ccc(cn1)Br 27a_100000102301_100000686858 [0,1,0,0,0,0|1,0,0]=2 1058 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [0,1,0,0,0,0|1,0,0]=2 1059 B12R1.1 CCCCNc1ccc(nn1)C 27a_100000102301_100000744512 [0,1,0,0,0,0|2,0,0]=3 1060 B12R1.1 CCCCNc1ccc(nn1)O 271570a_203496583355_100000215281 [0,1,0,0,0,0|2,0,0]=3 1061 B12R1.1 CCCCNc1cnc(cn1)Br 27a_100000102301_100010187541 [0,1,0,0,0,0|2,0,0]=3 1062 B12R1.1 CCCCNc1cnc(cn1)C 27a_100000102301_100000074397 [0,1,0,0,0,0|2,0,0]=3 1063 B12R1.1 CCCCNc1cnc(cn1)F 27a_100000102301_100009856528 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.1 CCCCNc1cnc(nn1)N 27a_100000102301_100000691435 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.1 CCCCNc1ncc(cn1)Br 27a_100000102301_100000690281 [0,1,0,0,0,0|2,0,0]=3 1066 B12R1.1 CCCCNc1ncc(cn1)C 27a_100000102301_100000061069 [0,1,0,0,0,0|2,0,0]=3 1067 B12R1.1 CCCCNc1ncc(cn1)Cl 27a_100000102301_100011356929 [0,1,0,0,0,0|2,0,0]=3 1068 B12R1.1 CCCCNc1ncc(cn1)F 27a_100000102301_100000685220 [0,1,0,0,0,0|2,0,0]=3 1069 B12R1.1 CCCCNc1ncc(cn1)O 271570a_203496583355_200011938772 [0,1,0,0,0,0|2,0,0]=3 1070 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,1,0,0,0,0|2,0,0]=3 1072 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,1,0,0,0,0|2,0,0]=3 1073 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,1,0,0,0,0|2,0,0]=3 1074 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,1,0,0,0,0|2,0,0]=3 1075 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,1,0,0,0,0|2,0,0]=3 1076 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,1,0,0,0,0|2,0,0]=3 1077 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,1,0,0,0,0|2,0,0]=3 1078 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,1,0,0,0,0|2,0,0]=3 1080 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,1,0,0,0,0|2,0,0]=3 1081 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [0,1,0,0,0,0|1,0,0]=2 1083 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [0,1,0,0,0,0|1,0,0]=2 1084 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [0,1,0,0,0,0|1,0,0]=2 1085 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [0,1,0,0,0,0|1,0,0]=2 1086 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [0,1,0,0,0,0|3,0,0]=4 1096 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [0,1,0,0,0,0|3,0,0]=4 1097 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [0,1,0,0,0,0|3,0,0]=4 1098 B12R1.1 CCCCOc1cnc(cn1)Br 34a_100011934580_100000210210 [0,1,0,0,0,0|2,0,0]=3 1099 B12R1.1 CCCCOc1cnc(cn1)Cl 34a_100015839800_100000210210 [0,1,0,0,0,0|2,0,0]=3 1100 B12R1.1 CCCCOc1ncc(cn1)F 34a_100011934040_100000210210 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.1 CCCCSc1cc[n+](cc1)[O-] 62a_100000210211_100000039755 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000210211_100000212171 [0,1,0,0,0,0|3,0,0]=4 1103 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210210 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100000210211_100009820020 [0,1,0,0,0,0|2,0,0]=3 1105 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210210 [0,1,0,0,0,0|2,0,0]=3 1106 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,1,0,0,0,0|2,0,0]=3 1107 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,1,0,0,0,0|2,0,0]=3 1108 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,1,0,0,0,0|2,0,0]=3 1109 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,1,0,0,0,0|2,0,0]=3 1110 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,1,0,0,0,0|2,0,0]=3 1111 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,1,0,0,0,0|2,0,0]=3 1112 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,1,0,0,0,0|2,0,0]=3 1113 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,1,0,0,0,0|2,0,0]=3 1114 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,1,0,0,0,0|2,0,0]=3 1115 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,1,0,0,0,0|2,0,0]=3 1116 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,1,0,0,0,0|2,0,0]=3 1117 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000210211_100000686858 [0,1,0,0,0,0|1,0,0]=2 1118 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000686858_100000210210 [0,1,0,0,0,0|1,0,0]=2 1119 B12R1.1 CCCCSc1ccc(cn1)C 62a_100000210211_100000754016 [0,1,0,0,0,0|1,0,0]=2 1120 B12R1.1 CCCCSc1ccc(cn1)C 62a_100011192072_100000210210 [0,1,0,0,0,0|1,0,0]=2 1121 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [0,1,0,0,0,0|1,0,0]=2 1122 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [0,1,0,0,0,0|1,0,0]=2 1123 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000210211_100000744514 [0,1,0,0,0,0|1,0,0]=2 1124 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000744514_100000210210 [0,1,0,0,0,0|1,0,0]=2 1125 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000210211_100000737798 [0,1,0,0,0,0|1,0,0]=2 1126 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000737798_100000210210 [0,1,0,0,0,0|1,0,0]=2 1127 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [0,1,0,0,0,0|1,0,0]=2 1128 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [0,1,0,0,0,0|1,0,0]=2 1129 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100000210211_100009814638 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100009814638_100000210210 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000210211_100000751577 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000751577_100000210210 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000034144_100000210210 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000210211_100000034144 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000042367_100000210210 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000210211_100000042367 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000187370_100000210210 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000210211_100000187370 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.1 CCCCSc1ccc(nn1)C 62a_100000210211_100000744512 [0,1,0,0,0,0|2,0,0]=3 1140 B12R1.1 CCCCSc1ccc(nn1)C 62a_100000744512_100000210210 [0,1,0,0,0,0|2,0,0]=3 1141 B12R1.1 CCCCSc1ccc(nn1)Cl 62a_100000068654_100000210210 [0,1,0,0,0,0|2,0,0]=3 1142 B12R1.1 CCCCSc1ccc(nn1)Cl 62a_100000210211_100000068654 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.1 CCCCSc1ccc(nn1)N 62a_100000210211_100010219413 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.1 CCCCSc1ccc(nn1)N 62a_100010219413_100000210210 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.1 CCCCSc1cnc(cn1)Br 62a_100000210211_100010187541 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.1 CCCCSc1cnc(cn1)Br 62a_100010187541_100000210210 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.1 CCCCSc1cnc(cn1)C 62a_100000210211_100011999403 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.1 CCCCSc1cnc(cn1)C 62a_100011999403_100000210210 [0,1,0,0,0,0|2,0,0]=3 1149 B12R1.1 CCCCSc1cnc(cn1)Cl 62a_100000210211_100010214907 [0,1,0,0,0,0|2,0,0]=3 1150 B12R1.1 CCCCSc1cnc(cn1)Cl 62a_100010214907_100000210210 [0,1,0,0,0,0|2,0,0]=3 1151 B12R1.1 CCCCSc1cnc(cn1)F 62a_100000210211_100009856528 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.1 CCCCSc1cnc(cn1)F 62a_100009856528_100000210210 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.1 CCCCSc1cnc(cn1)N 62a_100000210211_100000744751 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.1 CCCCSc1cnc(cn1)N 62a_100000744751_100000210210 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.1 CCCCSc1cnc(cn1)O 62a_100000210211_100015839800 [0,1,0,0,0,0|2,0,0]=3 1156 B12R1.1 CCCCSc1cnc(cn1)O 62a_100011934580_100000210210 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.1 CCCCSc1cnc(nn1)N 62a_100000210211_100000691435 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.1 CCCCSc1cnc(nn1)N 62a_100000691435_100000210210 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.1 CCCCSc1ncc(cn1)Br 62a_100000210211_100000690281 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.1 CCCCSc1ncc(cn1)Br 62a_100000690281_100000210210 [0,1,0,0,0,0|2,0,0]=3 1161 B12R1.1 CCCCSc1ncc(cn1)C 62a_100000061069_100000210210 [0,1,0,0,0,0|2,0,0]=3 1162 B12R1.1 CCCCSc1ncc(cn1)C 62a_100000210211_100000061069 [0,1,0,0,0,0|2,0,0]=3 1163 B12R1.1 CCCCSc1ncc(cn1)Cl 62a_100000210211_100011356929 [0,1,0,0,0,0|2,0,0]=3 1164 B12R1.1 CCCCSc1ncc(cn1)Cl 62a_100011356929_100000210210 [0,1,0,0,0,0|2,0,0]=3 1165 B12R1.1 CCCCSc1ncc(cn1)F 62a_100000210211_100000685220 [0,1,0,0,0,0|2,0,0]=3 1166 B12R1.1 CCCCSc1ncc(cn1)F 62a_100000685220_100000210210 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.1 CCCCSc1ncc(cn1)N 62a_100000068403_100000210210 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.1 CCCCSc1ncc(cn1)N 62a_100000210211_100000068403 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.1 CCCCSc1ncc(cn1)O 62a_100000210211_100000092845 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.1 CCCCSc1ncc(cn1)O 62a_100000730009_100000210210 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.1 CCCNCc1ccc(=O)[nH]n1 207a_100020643023_100011361533 [0,1,0,0,0,0|2,0,0]=3 1172 B12R1.1 CCCNCc1ccc(=O)[nH]n1 270004a_100020643023_100011361533 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,1,0,0,0,0|2,0,0]=3 1174 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,1,0,0,0,0|2,0,0]=3 1175 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,1,0,0,0,0|2,0,0]=3 1180 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,1,0,0,0,0|2,0,0]=3 1181 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,1,0,0,0,0|2,0,0]=3 1182 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,1,0,0,0,0|2,0,0]=3 1183 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,1,0,0,0,0|2,0,0]=3 1184 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,1,0,0,0,0|2,0,0]=3 1185 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,1,0,0,0,0|2,0,0]=3 1186 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,1,0,0,0,0|2,0,0]=3 1187 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,1,0,0,0,0|2,0,0]=3 1188 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,1,0,0,0,0|2,0,0]=3 1189 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,1,0,0,0,0|2,0,0]=3 1190 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,1,0,0,0,0|2,0,0]=3 1191 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,1,0,0,0,0|2,0,0]=3 1192 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,1,0,0,0,0|2,0,0]=3 1193 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [0,1,0,0,0,0|1,0,0]=2 1194 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [0,1,0,0,0,0|1,0,0]=2 1195 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [0,1,0,0,0,0|1,0,0]=2 1196 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [0,1,0,0,0,0|1,0,0]=2 1197 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [0,1,0,0,0,0|1,0,0]=2 1198 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [0,1,0,0,0,0|1,0,0]=2 1199 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [0,1,0,0,0,0|1,0,0]=2 1200 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [0,1,0,0,0,0|1,0,0]=2 1201 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [0,1,0,0,0,0|1,0,0]=2 1202 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [0,1,0,0,0,0|1,0,0]=2 1203 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [0,1,0,0,0,0|1,0,0]=2 1204 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [0,1,0,0,0,0|1,0,0]=2 1205 B12R1.1 CCCNCc1ccc(nc1)Br 2230a_100009817727_100000210303 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.1 CCCNCc1ccc(nc1)Br 34a_100009817727_100000210303 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.1 CCCNCc1ccc(nc1)C 270004a_100020643023_100000743784 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.1 CCCNCc1ccc(nc1)C 34a_100000740942_100000210303 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.1 CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210303 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.1 CCCNCc1ccc(nc1)Cl 34a_100000735879_100000210303 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.1 CCCNCc1ccc(nc1)F 2230a_100000101913_100000210303 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.1 CCCNCc1ccc(nc1)F 34a_100000101913_100000210303 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.1 CCCNCc1ccc(nc1)O 207a_100020643023_100011361521 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.1 CCCNCc1ccc(nc1)O 2230a_100000757128_100000210303 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.1 CCCNCc1ccc(nn1)Cl 270004a_100020643023_100000044651 [0,1,0,0,0,0|2,0,0]=3 1216 B12R1.1 CCCNCc1cnc(cn1)C 270004a_100020643023_100000685221 [0,1,0,0,0,0|2,0,0]=3 1217 B12R1.1 CCCNCc1cnc(cn1)C 34a_100132314150_100000210303 [0,1,0,0,0,0|2,0,0]=3 1218 B12R1.1 CCCNCc1cnc(cn1)Cl 270004a_100020643023_100012001714 [0,1,0,0,0,0|2,0,0]=3 1219 B12R1.1 CCCOCc1cc[n+](cc1)C 34a_100009831711_100000210303 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,1,0,0,0,0|2,0,0]=3 1224 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,1,0,0,0,0|2,0,0]=3 1225 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,1,0,0,0,0|2,0,0]=3 1226 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,1,0,0,0,0|2,0,0]=3 1227 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,1,0,0,0,0|2,0,0]=3 1228 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,1,0,0,0,0|2,0,0]=3 1229 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,1,0,0,0,0|2,0,0]=3 1230 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,1,0,0,0,0|2,0,0]=3 1231 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,1,0,0,0,0|2,0,0]=3 1232 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,1,0,0,0,0|2,0,0]=3 1233 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,1,0,0,0,0|2,0,0]=3 1234 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,1,0,0,0,0|2,0,0]=3 1235 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,1,0,0,0,0|2,0,0]=3 1236 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,1,0,0,0,0|2,0,0]=3 1237 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,1,0,0,0,0|2,0,0]=3 1238 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [0,1,0,0,0,0|1,0,0]=2 1239 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [0,1,0,0,0,0|1,0,0]=2 1240 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [0,1,0,0,0,0|1,0,0]=2 1241 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [0,1,0,0,0,0|1,0,0]=2 1242 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [0,1,0,0,0,0|1,0,0]=2 1243 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [0,1,0,0,0,0|1,0,0]=2 1244 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [0,1,0,0,0,0|1,0,0]=2 1245 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [0,1,0,0,0,0|1,0,0]=2 1246 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [0,1,0,0,0,0|1,0,0]=2 1247 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [0,1,0,0,0,0|3,0,0]=4 1250 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [0,1,0,0,0,0|3,0,0]=4 1251 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [0,1,0,0,0,0|3,0,0]=4 1252 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [0,1,0,0,0,0|3,0,0]=4 1253 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [0,1,0,0,0,0|3,0,0]=4 1254 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [0,1,0,0,0,0|3,0,0]=4 1255 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [0,1,0,0,0,0|3,0,0]=4 1256 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [0,1,0,0,0,0|3,0,0]=4 1257 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [0,1,0,0,0,0|3,0,0]=4 1258 B12R1.1 CCCOCc1ccc(nn1)Cl 34a_100000210258_100016992710 [0,1,0,0,0,0|2,0,0]=3 1259 B12R1.1 CCCOCc1cnc(cn1)C 34a_100011273949_100000210303 [0,1,0,0,0,0|2,0,0]=3 1260 B12R1.1 CCCOCc1cnc(cn1)Cl 34a_100012002382_100000210303 [0,1,0,0,0,0|2,0,0]=3 1261 B12R1.1 CCCOCc1ncc(cn1)Br 34a_100000210258_100010064664 [0,1,0,0,0,0|2,0,0]=3 1262 B12R1.1 CCCOCc1ncc(cn1)C 34a_100000210258_100000685645 [0,1,0,0,0,0|2,0,0]=3 1263 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,1,0,0,0,0|2,0,0]=3 1264 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,1,0,0,0,0|2,0,0]=3 1265 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,1,0,0,0,0|2,0,0]=3 1266 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,1,0,0,0,0|2,0,0]=3 1267 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,1,0,0,0,0|2,0,0]=3 1268 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,1,0,0,0,0|2,0,0]=3 1269 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,1,0,0,0,0|2,0,0]=3 1270 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,1,0,0,0,0|2,0,0]=3 1271 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,1,0,0,0,0|2,0,0]=3 1272 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,1,0,0,0,0|2,0,0]=3 1273 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000210303_100000702658 [0,1,0,0,0,0|1,0,0]=2 1274 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000702658_100000210303 [0,1,0,0,0,0|1,0,0]=2 1275 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000210303_100000691093 [0,1,0,0,0,0|1,0,0]=2 1276 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000691093_100000210303 [0,1,0,0,0,0|1,0,0]=2 1277 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [0,1,0,0,0,0|1,0,0]=2 1278 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [0,1,0,0,0,0|1,0,0]=2 1279 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000210303_100000703193 [0,1,0,0,0,0|1,0,0]=2 1280 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000703193_100000210303 [0,1,0,0,0,0|1,0,0]=2 1281 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100000210303_100009831999 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100009831999_100000210303 [0,1,0,0,0,0|3,0,0]=4 1283 B12R1.1 CCCSCc1ccc(nc1)C 62a_100000210303_100016987292 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.1 CCCSCc1ccc(nc1)C 62a_100016987292_100000210303 [0,1,0,0,0,0|3,0,0]=4 1285 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000210303_100000735431 [0,1,0,0,0,0|3,0,0]=4 1286 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000735431_100000210303 [0,1,0,0,0,0|3,0,0]=4 1287 B12R1.1 CCCSCc1ccc(nc1)F 62a_100000210303_100000099788 [0,1,0,0,0,0|3,0,0]=4 1288 B12R1.1 CCCSCc1ccc(nc1)F 62a_100009820150_100000210303 [0,1,0,0,0,0|3,0,0]=4 1289 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100000210303_100016992710 [0,1,0,0,0,0|2,0,0]=3 1290 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100016992710_100000210303 [0,1,0,0,0,0|2,0,0]=3 1291 B12R1.1 CCCSCc1cnc(cn1)C 62a_100000210303_100000752025 [0,1,0,0,0,0|2,0,0]=3 1292 B12R1.1 CCCSCc1cnc(cn1)C 62a_100000752025_100000210303 [0,1,0,0,0,0|2,0,0]=3 1293 B12R1.1 CCCSCc1ncc(cn1)Br 62a_100000210303_100010064664 [0,1,0,0,0,0|2,0,0]=3 1294 B12R1.1 CCCSCc1ncc(cn1)Br 62a_100010064664_100000210303 [0,1,0,0,0,0|2,0,0]=3 1295 B12R1.1 CCCSCc1ncc(cn1)C 62a_100000210303_100000685645 [0,1,0,0,0,0|2,0,0]=3 1296 B12R1.1 CCCSCc1ncc(cn1)C 62a_100000685645_100000210303 [0,1,0,0,0,0|2,0,0]=3 1297 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,1,0,0,0,0|2,0,0]=3 1298 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,1,0,0,0,0|2,0,0]=3 1299 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,1,0,0,0,0|2,0,0]=3 1302 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,1,0,0,0,0|2,0,0]=3 1303 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,1,0,0,0,0|2,0,0]=3 1304 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,1,0,0,0,0|2,0,0]=3 1305 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,1,0,0,0,0|2,0,0]=3 1306 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,1,0,0,0,0|2,0,0]=3 1307 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,1,0,0,0,0|2,0,0]=3 1308 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,1,0,0,0,0|2,0,0]=3 1309 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,1,0,0,0,0|2,0,0]=3 1310 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,1,0,0,0,0|2,0,0]=3 1311 B12R1.1 CCNN=Cc1ccc(cn1)Br 4a_100000756455_100000754260 [0,1,0,0,0,0|2,0,1]=4 1312 B12R1.1 CCNN=Cc1ccc(cn1)C 4a_100000756455_100000050478 [0,1,0,0,0,0|2,0,1]=4 1313 B12R1.1 CCNN=Cc1ccc(cn1)Cl 4a_100000756455_100011361569 [0,1,0,0,0,0|2,0,1]=4 1314 B12R1.1 CCNN=Cc1ccc(cn1)F 4a_100000756455_100011934744 [0,1,0,0,0,0|2,0,1]=4 1315 B12R1.1 CCNN=Cc1ccc(cn1)O 4a_100000756455_100000059846 [0,1,0,0,0,0|2,0,1]=4 1316 B12R1.1 CCOC=Cc1ccc(cn1)Br 271570a_100016256518_100000686858 [0,1,0,0,0,0|1,0,2]=4 1317 B12R1.1 CCOC=Cc1ccc(cn1)C 271570a_100016256518_100000754016 [0,1,0,0,0,0|1,0,2]=4 1318 B12R1.1 CCOC=Cc1ccc(cn1)Cl 271570a_100016256518_100011356976 [0,1,0,0,0,0|1,0,2]=4 1319 B12R1.1 CCOC=Cc1ccc(cn1)F 271570a_100016256518_100000744514 [0,1,0,0,0,0|1,0,2]=4 1320 B12R1.1 CCOC=Cc1ccc(cn1)N 271570a_100016256518_100000744251 [0,1,0,0,0,0|1,0,2]=4 1321 B12R1.1 CCOC=Cc1ccc(cn1)O 271570a_100016256518_100000685995 [0,1,0,0,0,0|1,0,2]=4 1322 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,1,0,0,0,0|2,0,0]=3 1323 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,1,0,0,0,0|2,0,0]=3 1324 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,1,0,0,0,0|2,0,0]=3 1325 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,1,0,0,0,0|2,0,0]=3 1326 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,1,0,0,0,0|2,0,0]=3 1327 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,1,0,0,0,0|2,0,0]=3 1328 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,1,0,0,0,0|2,0,0]=3 1329 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,1,0,0,0,0|2,0,0]=3 1330 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,1,0,0,0,0|2,0,0]=3 1331 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,1,0,0,0,0|2,0,0]=3 1332 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,1,0,0,0,0|2,0,0]=3 1333 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,1,0,0,0,0|2,0,0]=3 1334 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,1,0,0,0,0|2,0,0]=3 1335 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,1,0,0,0,0|2,0,0]=3 1336 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,1,0,0,0,0|2,0,0]=3 1337 B12R1.1 CCOCCc1ccc(cn1)Br 34a_100012357577_100000210202 [0,1,0,0,0,0|1,0,0]=2 1338 B12R1.1 CCOCCc1ccc(nc1)C 34a_100011815783_100000210202 [0,1,0,0,0,0|3,0,0]=4 1339 B12R1.1 CCOCCc1ccc(nc1)Cl 34a_100009880866_100000210202 [0,1,0,0,0,0|3,0,0]=4 1340 B12R1.1 CCOCCc1ccc(nc1)Cl 7a_100009880866_100000210202 [0,1,0,0,0,0|3,0,0]=4 1341 B12R1.1 CCOCSc1ccc(=O)[nH]n1 62a_100000739092_100009820020 [0,1,0,0,0,0|3,0,0]=4 1342 B12R1.1 CCOCSc1ccc(=O)[nH]n1 62a_100009820020_100000739092 [0,1,0,0,0,0|3,0,0]=4 1343 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000739092_100000752885 [0,1,0,0,0,0|3,0,0]=4 1344 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000752885_100000739092 [0,1,0,0,0,0|3,0,0]=4 1345 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000186775_100000739092 [0,1,0,0,0,0|3,0,0]=4 1346 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000739092_100000186775 [0,1,0,0,0,0|3,0,0]=4 1347 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000739092_100000755918 [0,1,0,0,0,0|3,0,0]=4 1348 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000755918_100000739092 [0,1,0,0,0,0|3,0,0]=4 1349 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000211213_100000739092 [0,1,0,0,0,0|3,0,0]=4 1350 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000739092_100000211213 [0,1,0,0,0,0|3,0,0]=4 1351 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000185761_100000739092 [0,1,0,0,0,0|3,0,0]=4 1352 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000739092_100000185761 [0,1,0,0,0,0|3,0,0]=4 1353 B12R1.1 CCOCSc1ccc(cc1)O 62a_100000739092_100000185759 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.1 CCOCSc1ccc(cn1)Br 62a_100000686858_100000739092 [0,1,0,0,0,0|2,0,0]=3 1355 B12R1.1 CCOCSc1ccc(cn1)Br 62a_100000739092_100000686858 [0,1,0,0,0,0|2,0,0]=3 1356 B12R1.1 CCOCSc1ccc(cn1)C 62a_100000739092_100000754016 [0,1,0,0,0,0|2,0,0]=3 1357 B12R1.1 CCOCSc1ccc(cn1)C 62a_100011192072_100000739092 [0,1,0,0,0,0|2,0,0]=3 1358 B12R1.1 CCOCSc1ccc(cn1)Cl 62a_100000739092_100011356976 [0,1,0,0,0,0|2,0,0]=3 1359 B12R1.1 CCOCSc1ccc(cn1)Cl 62a_100011356976_100000739092 [0,1,0,0,0,0|2,0,0]=3 1360 B12R1.1 CCOCSc1ccc(cn1)F 62a_100000739092_100000744514 [0,1,0,0,0,0|2,0,0]=3 1361 B12R1.1 CCOCSc1ccc(cn1)F 62a_100000744514_100000739092 [0,1,0,0,0,0|2,0,0]=3 1362 B12R1.1 CCOCSc1ccc(cn1)N 62a_100000737798_100000739092 [0,1,0,0,0,0|2,0,0]=3 1363 B12R1.1 CCOCSc1ccc(cn1)N 62a_100000739092_100000737798 [0,1,0,0,0,0|2,0,0]=3 1364 B12R1.1 CCOCSc1ccc(cn1)O 62a_100000685995_100000739092 [0,1,0,0,0,0|2,0,0]=3 1365 B12R1.1 CCOCSc1ccc(cn1)O 62a_100000739092_100000744096 [0,1,0,0,0,0|2,0,0]=3 1366 B12R1.1 CCOCSc1ccc(nn1)C 62a_100000739092_100000744512 [0,1,0,0,0,0|3,0,0]=4 1367 B12R1.1 CCOCSc1ccc(nn1)C 62a_100000744512_100000739092 [0,1,0,0,0,0|3,0,0]=4 1368 B12R1.1 CCOCSc1ccc(nn1)Cl 62a_100000068654_100000739092 [0,1,0,0,0,0|3,0,0]=4 1369 B12R1.1 CCOCSc1ccc(nn1)Cl 62a_100000739092_100000068654 [0,1,0,0,0,0|3,0,0]=4 1370 B12R1.1 CCOCSc1ccc(nn1)N 62a_100000739092_100010219413 [0,1,0,0,0,0|3,0,0]=4 1371 B12R1.1 CCOCSc1ccc(nn1)N 62a_100010219413_100000739092 [0,1,0,0,0,0|3,0,0]=4 1372 B12R1.1 CCOCSc1cnc(cn1)Br 62a_100000739092_100010187541 [0,1,0,0,0,0|3,0,0]=4 1373 B12R1.1 CCOCSc1cnc(cn1)Br 62a_100010187541_100000739092 [0,1,0,0,0,0|3,0,0]=4 1374 B12R1.1 CCOCSc1cnc(cn1)C 62a_100000739092_100011999403 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.1 CCOCSc1cnc(cn1)C 62a_100011999403_100000739092 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.1 CCOCSc1cnc(cn1)Cl 62a_100000739092_100010214907 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.1 CCOCSc1cnc(cn1)Cl 62a_100010214907_100000739092 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.1 CCOCSc1cnc(cn1)F 62a_100000739092_100009856528 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.1 CCOCSc1cnc(cn1)F 62a_100009856528_100000739092 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.1 CCOCSc1cnc(cn1)N 62a_100000739092_100000744751 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.1 CCOCSc1cnc(cn1)N 62a_100000744751_100000739092 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.1 CCOCSc1cnc(cn1)O 62a_100000739092_100015839800 [0,1,0,0,0,0|3,0,0]=4 1383 B12R1.1 CCOCSc1cnc(cn1)O 62a_100011934580_100000739092 [0,1,0,0,0,0|3,0,0]=4 1384 B12R1.1 CCOCSc1ncc(cn1)Br 62a_100000690281_100000739092 [0,1,0,0,0,0|3,0,0]=4 1385 B12R1.1 CCOCSc1ncc(cn1)Br 62a_100000739092_100000690281 [0,1,0,0,0,0|3,0,0]=4 1386 B12R1.1 CCOCSc1ncc(cn1)C 62a_100000061069_100000739092 [0,1,0,0,0,0|3,0,0]=4 1387 B12R1.1 CCOCSc1ncc(cn1)C 62a_100000739092_100000061069 [0,1,0,0,0,0|3,0,0]=4 1388 B12R1.1 CCOCSc1ncc(cn1)Cl 62a_100000739092_100011356929 [0,1,0,0,0,0|3,0,0]=4 1389 B12R1.1 CCOCSc1ncc(cn1)Cl 62a_100011356929_100000739092 [0,1,0,0,0,0|3,0,0]=4 1390 B12R1.1 CCOCSc1ncc(cn1)F 62a_100000685220_100000739092 [0,1,0,0,0,0|3,0,0]=4 1391 B12R1.1 CCOCSc1ncc(cn1)F 62a_100000739092_100000685220 [0,1,0,0,0,0|3,0,0]=4 1392 B12R1.1 CCOCSc1ncc(cn1)N 62a_100000068403_100000739092 [0,1,0,0,0,0|3,0,0]=4 1393 B12R1.1 CCOCSc1ncc(cn1)N 62a_100000739092_100000068403 [0,1,0,0,0,0|3,0,0]=4 1394 B12R1.1 CCOCSc1ncc(cn1)O 62a_100000730009_100000739092 [0,1,0,0,0,0|3,0,0]=4 1395 B12R1.1 CCOCSc1ncc(cn1)O 62a_100000739092_100000092845 [0,1,0,0,0,0|3,0,0]=4 1396 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,1,0,0,0,0|2,0,0]=3 1397 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,1,0,0,0,0|2,0,0]=3 1398 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,1,0,0,0,0|2,0,0]=3 1399 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,1,0,0,0,0|2,0,0]=3 1400 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,1,0,0,0,0|2,0,0]=3 1401 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,1,0,0,0,0|2,0,0]=3 1402 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,1,0,0,0,0|2,0,0]=3 1403 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,1,0,0,0,0|2,0,0]=3 1404 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,1,0,0,0,0|2,0,0]=3 1405 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,1,0,0,0,0|2,0,0]=3 1406 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,1,0,0,0,0|2,0,0]=3 1407 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,1,0,0,0,0|2,0,0]=3 1408 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,1,0,0,0,0|2,0,0]=3 1409 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,1,0,0,0,0|2,0,0]=3 1410 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,1,0,0,0,0|2,0,0]=3 1411 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,1,0,0,0,0|2,0,0]=3 1412 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,1,0,0,0,0|2,0,0]=3 1413 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,1,0,0,0,0|2,0,0]=3 1414 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,1,0,0,0,0|2,0,0]=3 1415 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,1,0,0,0,0|2,0,0]=3 1416 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,1,0,0,0,0|2,0,0]=3 1417 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,1,0,0,0,0|2,0,0]=3 1418 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,1,0,0,0,0|2,0,0]=3 1419 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,1,0,0,0,0|2,0,0]=3 1420 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,1,0,0,0,0|2,0,0]=3 1421 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,1,0,0,0,0|2,0,0]=3 1422 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,1,0,0,0,0|2,0,0]=3 1423 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,1,0,0,0,0|3,0,0]=4 1424 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,1,0,0,0,0|3,0,0]=4 1425 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,1,0,0,0,0|3,0,0]=4 1426 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,1,0,0,0,0|3,0,0]=4 1427 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,1,0,0,0,0|3,0,0]=4 1428 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,1,0,0,0,0|3,0,0]=4 1429 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,1,0,0,0,0|3,0,0]=4 1430 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,1,0,0,0,0|3,0,0]=4 1431 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,1,0,0,0,0|3,0,0]=4 1432 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,1,0,0,0,0|3,0,0]=4 1433 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,1,0,0,0,0|3,0,0]=4 1434 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,1,0,0,0,0|3,0,0]=4 1435 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,1,0,0,0,0|3,0,0]=4 1436 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,1,0,0,0,0|3,0,0]=4 1437 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,1,0,0,0,0|3,0,0]=4 1438 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1439 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,1,0,0,0,0|3,0,0]=4 1440 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1441 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,1,0,0,0,0|3,0,0]=4 1442 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,1,0,0,0,0|3,0,0]=4 1443 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [0,1,0,0,0,0|3,0,0]=4 1444 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [0,1,0,0,0,0|3,0,0]=4 1445 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [0,1,0,0,0,0|3,0,0]=4 1446 B12R1.1 COCC=Cc1ccc(cn1)Br 271570a_100016286323_100000686858 [0,1,0,0,0,0|1,0,2]=4 1447 B12R1.1 COCC=Cc1ccc(cn1)C 271570a_100016286323_100000754016 [0,1,0,0,0,0|1,0,2]=4 1448 B12R1.1 COCC=Cc1ccc(cn1)Cl 271570a_100016286323_100011356976 [0,1,0,0,0,0|1,0,2]=4 1449 B12R1.1 COCC=Cc1ccc(cn1)F 271570a_100016286323_100000744514 [0,1,0,0,0,0|1,0,2]=4 1450 B12R1.1 COCC=Cc1ccc(cn1)N 271570a_100016286323_100000744251 [0,1,0,0,0,0|1,0,2]=4 1451 B12R1.1 COCC=Cc1ccc(cn1)O 271570a_100016286323_100000685995 [0,1,0,0,0,0|1,0,2]=4 1452 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,1,0,0,0,0|2,0,0]=3 1453 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,1,0,0,0,0|2,0,0]=3 1454 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,1,0,0,0,0|2,0,0]=3 1455 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,1,0,0,0,0|2,0,0]=3 1456 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,1,0,0,0,0|2,0,0]=3 1457 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,1,0,0,0,0|2,0,0]=3 1458 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,1,0,0,0,0|2,0,0]=3 1459 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,1,0,0,0,0|2,0,0]=3 1460 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,1,0,0,0,0|2,0,0]=3 1461 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,1,0,0,0,0|2,0,0]=3 1462 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,1,0,0,0,0|2,0,0]=3 1463 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [0,1,0,0,0,0|3,0,0]=4 1464 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [0,1,0,0,0,0|3,0,0]=4 1465 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [0,1,0,0,0,0|3,0,0]=4 1466 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [0,1,0,0,0,0|3,0,0]=4 1467 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [0,1,0,0,0,0|3,0,0]=4 1468 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [0,1,0,0,0,0|3,0,0]=4 1469 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [0,1,0,0,0,0|3,0,0]=4 1470 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [0,1,0,0,0,0|3,0,0]=4 1471 B12R1.1 COCCNc1ccc(cn1)Br 27a_100000209980_100000686858 [0,1,0,0,0,0|2,0,0]=3 1472 B12R1.1 COCCNc1ccc(nn1)C 27a_100000209980_100000744512 [0,1,0,0,0,0|3,0,0]=4 1473 B12R1.1 COCCNc1ccc(nn1)Cl 34a_100000767036_200000210301 [0,1,0,0,0,0|3,0,0]=4 1474 B12R1.1 COCCNc1cnc(cn1)Br 27a_100000209980_100010187541 [0,1,0,0,0,0|3,0,0]=4 1475 B12R1.1 COCCNc1cnc(cn1)C 27a_100000209980_100000074397 [0,1,0,0,0,0|3,0,0]=4 1476 B12R1.1 COCCNc1cnc(cn1)F 27a_100000209980_100009856528 [0,1,0,0,0,0|3,0,0]=4 1477 B12R1.1 COCCNc1ncc(cn1)Br 27a_100000209980_100000690281 [0,1,0,0,0,0|3,0,0]=4 1478 B12R1.1 COCCNc1ncc(cn1)C 27a_100000209980_100000061069 [0,1,0,0,0,0|3,0,0]=4 1479 B12R1.1 COCCNc1ncc(cn1)Cl 27a_100000209980_100011356929 [0,1,0,0,0,0|3,0,0]=4 1480 B12R1.1 COCCNc1ncc(cn1)F 27a_100000209980_100000685220 [0,1,0,0,0,0|3,0,0]=4 1481 B12R1.1 COCCNc1ncc(cn1)O 271570a_203496583355_100011938757 [0,1,0,0,0,0|3,0,0]=4 1482 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,1,0,0,0,0|3,0,0]=4 1483 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,1,0,0,0,0|3,0,0]=4 1484 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,1,0,0,0,0|3,0,0]=4 1485 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,1,0,0,0,0|3,0,0]=4 1486 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,1,0,0,0,0|3,0,0]=4 1487 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,1,0,0,0,0|3,0,0]=4 1488 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,1,0,0,0,0|3,0,0]=4 1489 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,1,0,0,0,0|3,0,0]=4 1490 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,1,0,0,0,0|3,0,0]=4 1491 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,1,0,0,0,0|3,0,0]=4 1492 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,1,0,0,0,0|3,0,0]=4 1493 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,1,0,0,0,0|3,0,0]=4 1494 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,1,0,0,0,0|3,0,0]=4 1495 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,1,0,0,0,0|3,0,0]=4 1496 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,1,0,0,0,0|3,0,0]=4 1500 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,1,0,0,0,0|3,0,0]=4 1501 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,1,0,0,0,0|3,0,0]=4 1502 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,1,0,0,0,0|3,0,0]=4 1503 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,1,0,0,0,0|3,0,0]=4 1504 B12R1.1 COCCOc1ccc(cn1)C 34a_100000759353_100011201679 [0,1,0,0,0,0|2,0,0]=3 1505 B12R1.1 COCCOc1ccc(cn1)Cl 34a_100011215309_100011201679 [0,1,0,0,0,0|2,0,0]=3 1506 B12R1.1 COCCOc1ccc(cn1)F 34a_100000742473_100011201679 [0,1,0,0,0,0|2,0,0]=3 1507 B12R1.1 COCCOc1ccc(cn1)N 34a_100000729260_100011201679 [0,1,0,0,0,0|2,0,0]=3 1508 B12R1.1 COCCOc1ccc(cn1)N 34a_100102662783_200000210301 [0,1,0,0,0,0|2,0,0]=3 1509 B12R1.1 COCCOc1ccc(cn1)O 271570a_203496583355_100000758753 [0,1,0,0,0,0|2,0,0]=3 1510 B12R1.1 COCCOc1cnc(cn1)Br 34a_100011934580_100011201679 [0,1,0,0,0,0|3,0,0]=4 1511 B12R1.1 COCCOc1cnc(cn1)Cl 34a_100015839800_100011201679 [0,1,0,0,0,0|3,0,0]=4 1512 B12R1.1 COCCOc1ncc(cn1)F 34a_100011934040_100011201679 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.1 COCCOc1ncc(cn1)O 271570a_203496583355_200011939457 [0,1,0,0,0,0|3,0,0]=4 1514 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100000233755_100009820020 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100009820020_100000233755 [0,1,0,0,0,0|3,0,0]=4 1516 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [0,1,0,0,0,0|3,0,0]=4 1517 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [0,1,0,0,0,0|3,0,0]=4 1518 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [0,1,0,0,0,0|3,0,0]=4 1519 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [0,1,0,0,0,0|3,0,0]=4 1520 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [0,1,0,0,0,0|3,0,0]=4 1521 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [0,1,0,0,0,0|3,0,0]=4 1522 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [0,1,0,0,0,0|3,0,0]=4 1524 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [0,1,0,0,0,0|3,0,0]=4 1525 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [0,1,0,0,0,0|3,0,0]=4 1526 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [0,1,0,0,0,0|3,0,0]=4 1527 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [0,1,0,0,0,0|3,0,0]=4 1529 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [0,1,0,0,0,0|3,0,0]=4 1530 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [0,1,0,0,0,0|3,0,0]=4 1533 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [0,1,0,0,0,0|3,0,0]=4 1534 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000233755_100000686858 [0,1,0,0,0,0|2,0,0]=3 1535 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000686858_100000233755 [0,1,0,0,0,0|2,0,0]=3 1536 B12R1.1 COCCSc1ccc(cn1)C 62a_100000233755_100000754016 [0,1,0,0,0,0|2,0,0]=3 1537 B12R1.1 COCCSc1ccc(cn1)C 62a_100011192072_100000233755 [0,1,0,0,0,0|2,0,0]=3 1538 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100000233755_100011356976 [0,1,0,0,0,0|2,0,0]=3 1539 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100011356976_100000233755 [0,1,0,0,0,0|2,0,0]=3 1540 B12R1.1 COCCSc1ccc(cn1)F 62a_100000233755_100000744514 [0,1,0,0,0,0|2,0,0]=3 1541 B12R1.1 COCCSc1ccc(cn1)F 62a_100000744514_100000233755 [0,1,0,0,0,0|2,0,0]=3 1542 B12R1.1 COCCSc1ccc(cn1)N 62a_100000233755_100000737798 [0,1,0,0,0,0|2,0,0]=3 1543 B12R1.1 COCCSc1ccc(cn1)N 62a_100000737798_100000233755 [0,1,0,0,0,0|2,0,0]=3 1544 B12R1.1 COCCSc1ccc(cn1)O 62a_100000233755_100000744096 [0,1,0,0,0,0|2,0,0]=3 1545 B12R1.1 COCCSc1ccc(cn1)O 62a_100000685995_100000233755 [0,1,0,0,0,0|2,0,0]=3 1546 B12R1.1 COCCSc1ccc(nn1)C 62a_100000233755_100000744512 [0,1,0,0,0,0|3,0,0]=4 1547 B12R1.1 COCCSc1ccc(nn1)C 62a_100000744512_100000233755 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.1 COCCSc1ccc(nn1)Cl 62a_100000068654_100000233755 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.1 COCCSc1ccc(nn1)Cl 62a_100000233755_100000068654 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.1 COCCSc1ccc(nn1)Cl 7a_100000215309_200000210301 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.1 COCCSc1ccc(nn1)N 62a_100000233755_100010219413 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.1 COCCSc1ccc(nn1)N 62a_100010219413_100000233755 [0,1,0,0,0,0|3,0,0]=4 1553 B12R1.1 COCCSc1cnc(cn1)Br 62a_100000233755_100010187541 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.1 COCCSc1cnc(cn1)Br 62a_100010187541_100000233755 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.1 COCCSc1cnc(cn1)C 62a_100000233755_100011999403 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.1 COCCSc1cnc(cn1)C 62a_100011999403_100000233755 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.1 COCCSc1cnc(cn1)Cl 62a_100000233755_100010214907 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.1 COCCSc1cnc(cn1)Cl 62a_100010214907_100000233755 [0,1,0,0,0,0|3,0,0]=4 1559 B12R1.1 COCCSc1cnc(cn1)F 62a_100000233755_100009856528 [0,1,0,0,0,0|3,0,0]=4 1560 B12R1.1 COCCSc1cnc(cn1)F 62a_100009856528_100000233755 [0,1,0,0,0,0|3,0,0]=4 1561 B12R1.1 COCCSc1cnc(cn1)N 62a_100000233755_100000744751 [0,1,0,0,0,0|3,0,0]=4 1562 B12R1.1 COCCSc1cnc(cn1)N 62a_100000744751_100000233755 [0,1,0,0,0,0|3,0,0]=4 1563 B12R1.1 COCCSc1cnc(cn1)O 62a_100000233755_100015839800 [0,1,0,0,0,0|3,0,0]=4 1564 B12R1.1 COCCSc1cnc(cn1)O 62a_100011934580_100000233755 [0,1,0,0,0,0|3,0,0]=4 1565 B12R1.1 COCCSc1ncc(cn1)Br 62a_100000233755_100000690281 [0,1,0,0,0,0|3,0,0]=4 1566 B12R1.1 COCCSc1ncc(cn1)Br 62a_100000690281_100000233755 [0,1,0,0,0,0|3,0,0]=4 1567 B12R1.1 COCCSc1ncc(cn1)C 62a_100000061069_100000233755 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.1 COCCSc1ncc(cn1)C 62a_100000233755_100000061069 [0,1,0,0,0,0|3,0,0]=4 1569 B12R1.1 COCCSc1ncc(cn1)Cl 62a_100000233755_100011356929 [0,1,0,0,0,0|3,0,0]=4 1570 B12R1.1 COCCSc1ncc(cn1)Cl 62a_100011356929_100000233755 [0,1,0,0,0,0|3,0,0]=4 1571 B12R1.1 COCCSc1ncc(cn1)F 62a_100000233755_100000685220 [0,1,0,0,0,0|3,0,0]=4 1572 B12R1.1 COCCSc1ncc(cn1)F 62a_100000685220_100000233755 [0,1,0,0,0,0|3,0,0]=4 1573 B12R1.1 COCCSc1ncc(cn1)N 62a_100000068403_100000233755 [0,1,0,0,0,0|3,0,0]=4 1574 B12R1.1 COCCSc1ncc(cn1)N 62a_100000233755_100000068403 [0,1,0,0,0,0|3,0,0]=4 1575 B12R1.1 COCCSc1ncc(cn1)O 62a_100000233755_100000092845 [0,1,0,0,0,0|3,0,0]=4 1576 B12R1.1 COCCSc1ncc(cn1)O 62a_100000730009_100000233755 [0,1,0,0,0,0|3,0,0]=4 1577 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,1,0,0,0,0|3,0,0]=4 1578 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,1,0,0,0,0|3,0,0]=4 1579 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,1,0,0,0,0|3,0,0]=4 1580 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,1,0,0,0,0|3,0,0]=4 1581 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,1,0,0,0,0|3,0,0]=4 1582 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [0,1,0,0,0,0|3,0,0]=4 1583 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [0,1,0,0,0,0|3,0,0]=4 1584 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,1,0,0,0,0|3,0,0]=4 1585 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,1,0,0,0,0|3,0,0]=4 1586 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [0,1,0,0,0,0|3,0,0]=4 1587 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [0,1,0,0,0,0|3,0,0]=4 1588 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [0,1,0,0,0,0|3,0,0]=4 1589 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [0,1,0,0,0,0|3,0,0]=4 1590 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [0,1,0,0,0,0|3,0,0]=4 1591 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [0,1,0,0,0,0|3,0,0]=4 1592 B12R1.1 COCSCc1ccc(cn1)Br 62a_100000702658_100000766300 [0,1,0,0,0,0|2,0,0]=3 1593 B12R1.1 COCSCc1ccc(cn1)Br 62a_100000766300_100000702658 [0,1,0,0,0,0|2,0,0]=3 1594 B12R1.1 COCSCc1ccc(cn1)C 62a_100000691093_100000766300 [0,1,0,0,0,0|2,0,0]=3 1595 B12R1.1 COCSCc1ccc(cn1)C 62a_100000766300_100000691093 [0,1,0,0,0,0|2,0,0]=3 1596 B12R1.1 COCSCc1ccc(cn1)Cl 62a_100000766300_100000697101 [0,1,0,0,0,0|2,0,0]=3 1597 B12R1.1 COCSCc1ccc(cn1)Cl 62a_100012066911_100000766300 [0,1,0,0,0,0|2,0,0]=3 1598 B12R1.1 COCSCc1ccc(cn1)F 62a_100000703193_100000766300 [0,1,0,0,0,0|2,0,0]=3 1599 B12R1.1 COCSCc1ccc(cn1)F 62a_100000766300_100000703193 [0,1,0,0,0,0|2,0,0]=3 1600 B12R1.1 COCSCc1ccc(nn1)Cl 62a_100000766300_100016992710 [0,1,0,0,0,0|3,0,0]=4 1601 B12R1.1 COCSCc1ccc(nn1)Cl 62a_100016992710_100000766300 [0,1,0,0,0,0|3,0,0]=4 1602 B12R1.1 COCSCc1cnc(cn1)C 62a_100000752025_100000766300 [0,1,0,0,0,0|3,0,0]=4 1603 B12R1.1 COCSCc1cnc(cn1)C 62a_100000766300_100000752025 [0,1,0,0,0,0|3,0,0]=4 1604 B12R1.1 COCSCc1ncc(cn1)Br 62a_100000766300_100010064664 [0,1,0,0,0,0|3,0,0]=4 1605 B12R1.1 COCSCc1ncc(cn1)Br 62a_100010064664_100000766300 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.1 COCSCc1ncc(cn1)C 62a_100000685645_100000766300 [0,1,0,0,0,0|3,0,0]=4 1607 B12R1.1 COCSCc1ncc(cn1)C 62a_100000766300_100000685645 [0,1,0,0,0,0|3,0,0]=4 1608 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,1,0,0,0,0|2,0,0]=3 1609 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,1,0,0,0,0|2,0,0]=3 1610 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,1,0,0,0,0|2,0,0]=3 1611 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,1,0,0,0,0|2,0,0]=3 1612 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,1,0,0,0,0|2,0,0]=3 1613 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,1,0,0,0,0|2,0,0]=3 1614 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [0,1,0,0,0,0|3,0,0]=4 1615 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [0,1,0,0,0,0|3,0,0]=4 1616 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [0,1,0,0,0,0|3,0,0]=4 1617 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [0,1,0,0,0,0|3,0,0]=4 1618 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [0,1,0,0,0,0|3,0,0]=4 1619 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [0,1,0,0,0,0|3,0,0]=4 1620 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [0,1,0,0,0,0|3,0,0]=4 1621 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [0,1,0,0,0,0|3,0,0]=4 1622 B12R1.1 CSCCNc1ccc(cn1)Br 27a_100020590264_100000686858 [0,1,0,0,0,0|2,0,0]=3 1623 B12R1.1 CSCCNc1ccc(nn1)C 27a_100020590264_100000744512 [0,1,0,0,0,0|3,0,0]=4 1624 B12R1.1 CSCCNc1cnc(cn1)Br 27a_100020590264_100010187541 [0,1,0,0,0,0|3,0,0]=4 1625 B12R1.1 CSCCNc1cnc(cn1)C 27a_100020590264_100000074397 [0,1,0,0,0,0|3,0,0]=4 1626 B12R1.1 CSCCNc1cnc(cn1)F 27a_100020590264_100009856528 [0,1,0,0,0,0|3,0,0]=4 1627 B12R1.1 CSCCNc1ncc(cn1)Br 27a_100020590264_100000690281 [0,1,0,0,0,0|3,0,0]=4 1628 B12R1.1 CSCCNc1ncc(cn1)C 27a_100020590264_100000061069 [0,1,0,0,0,0|3,0,0]=4 1629 B12R1.1 CSCCNc1ncc(cn1)Cl 27a_100020590264_100011356929 [0,1,0,0,0,0|3,0,0]=4 1630 B12R1.1 CSCCNc1ncc(cn1)F 27a_100020590264_100000685220 [0,1,0,0,0,0|3,0,0]=4 1631 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,1,0,0,0,0|3,0,0]=4 1632 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,1,0,0,0,0|3,0,0]=4 1633 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,1,0,0,0,0|3,0,0]=4 1634 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,1,0,0,0,0|3,0,0]=4 1635 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,1,0,0,0,0|3,0,0]=4 1636 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,1,0,0,0,0|3,0,0]=4 1637 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,1,0,0,0,0|3,0,0]=4 1638 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,1,0,0,0,0|3,0,0]=4 1639 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,1,0,0,0,0|3,0,0]=4 1641 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,1,0,0,0,0|3,0,0]=4 1647 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,1,0,0,0,0|3,0,0]=4 1648 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,1,0,0,0,0|3,0,0]=4 1649 B12R1.1 CSCCOc1ccc(cn1)C 34a_100000759353_100000212216 [0,1,0,0,0,0|2,0,0]=3 1650 B12R1.1 CSCCOc1ccc(cn1)Cl 34a_100011215309_100000212216 [0,1,0,0,0,0|2,0,0]=3 1651 B12R1.1 CSCCOc1ccc(cn1)F 34a_100000742473_100000212216 [0,1,0,0,0,0|2,0,0]=3 1652 B12R1.1 CSCCOc1ccc(cn1)N 34a_100000729260_100000212216 [0,1,0,0,0,0|2,0,0]=3 1653 B12R1.1 CSCCOc1cnc(cn1)Br 34a_100011934580_100000212216 [0,1,0,0,0,0|3,0,0]=4 1654 B12R1.1 CSCCOc1cnc(cn1)Cl 34a_100015839800_100000212216 [0,1,0,0,0,0|3,0,0]=4 1655 B12R1.1 CSCCOc1ncc(cn1)F 34a_100011934040_100000212216 [0,1,0,0,0,0|3,0,0]=4 1656 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100000212216_100009820020 [0,1,0,0,0,0|3,0,0]=4 1657 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100009820020_100000751147 [0,1,0,0,0,0|3,0,0]=4 1658 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [0,1,0,0,0,0|3,0,0]=4 1659 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [0,1,0,0,0,0|3,0,0]=4 1660 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [0,1,0,0,0,0|3,0,0]=4 1661 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [0,1,0,0,0,0|3,0,0]=4 1662 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [0,1,0,0,0,0|3,0,0]=4 1663 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [0,1,0,0,0,0|3,0,0]=4 1664 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [0,1,0,0,0,0|3,0,0]=4 1665 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [0,1,0,0,0,0|3,0,0]=4 1666 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [0,1,0,0,0,0|3,0,0]=4 1667 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [0,1,0,0,0,0|3,0,0]=4 1668 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [0,1,0,0,0,0|3,0,0]=4 1669 B12R1.1 CSCCSc1ccc(cn1)Br 62a_100000212216_100000686858 [0,1,0,0,0,0|2,0,0]=3 1670 B12R1.1 CSCCSc1ccc(cn1)Br 62a_100000686858_100000751147 [0,1,0,0,0,0|2,0,0]=3 1671 B12R1.1 CSCCSc1ccc(cn1)C 62a_100000212216_100000754016 [0,1,0,0,0,0|2,0,0]=3 1672 B12R1.1 CSCCSc1ccc(cn1)C 62a_100011192072_100000751147 [0,1,0,0,0,0|2,0,0]=3 1673 B12R1.1 CSCCSc1ccc(cn1)Cl 62a_100000212216_100011356976 [0,1,0,0,0,0|2,0,0]=3 1674 B12R1.1 CSCCSc1ccc(cn1)Cl 62a_100011356976_100000751147 [0,1,0,0,0,0|2,0,0]=3 1675 B12R1.1 CSCCSc1ccc(cn1)F 62a_100000212216_100000744514 [0,1,0,0,0,0|2,0,0]=3 1676 B12R1.1 CSCCSc1ccc(cn1)F 62a_100000744514_100000751147 [0,1,0,0,0,0|2,0,0]=3 1677 B12R1.1 CSCCSc1ccc(cn1)N 62a_100000212216_100000737798 [0,1,0,0,0,0|2,0,0]=3 1678 B12R1.1 CSCCSc1ccc(cn1)N 62a_100000737798_100000751147 [0,1,0,0,0,0|2,0,0]=3 1679 B12R1.1 CSCCSc1ccc(cn1)O 62a_100000212216_100000744096 [0,1,0,0,0,0|2,0,0]=3 1680 B12R1.1 CSCCSc1ccc(cn1)O 62a_100000685995_100000751147 [0,1,0,0,0,0|2,0,0]=3 1681 B12R1.1 CSCCSc1ccc(nn1)C 62a_100000212216_100000744512 [0,1,0,0,0,0|3,0,0]=4 1682 B12R1.1 CSCCSc1ccc(nn1)C 62a_100000744512_100000751147 [0,1,0,0,0,0|3,0,0]=4 1683 B12R1.1 CSCCSc1ccc(nn1)Cl 62a_100000068654_100000751147 [0,1,0,0,0,0|3,0,0]=4 1684 B12R1.1 CSCCSc1ccc(nn1)Cl 62a_100000212216_100000068654 [0,1,0,0,0,0|3,0,0]=4 1685 B12R1.1 CSCCSc1ccc(nn1)N 62a_100000212216_100010219413 [0,1,0,0,0,0|3,0,0]=4 1686 B12R1.1 CSCCSc1ccc(nn1)N 62a_100010219413_100000751147 [0,1,0,0,0,0|3,0,0]=4 1687 B12R1.1 CSCCSc1cnc(cn1)Br 62a_100000212216_100010187541 [0,1,0,0,0,0|3,0,0]=4 1688 B12R1.1 CSCCSc1cnc(cn1)Br 62a_100010187541_100000751147 [0,1,0,0,0,0|3,0,0]=4 1689 B12R1.1 CSCCSc1cnc(cn1)C 62a_100000212216_100011999403 [0,1,0,0,0,0|3,0,0]=4 1690 B12R1.1 CSCCSc1cnc(cn1)C 62a_100011999403_100000751147 [0,1,0,0,0,0|3,0,0]=4 1691 B12R1.1 CSCCSc1cnc(cn1)Cl 62a_100000212216_100010214907 [0,1,0,0,0,0|3,0,0]=4 1692 B12R1.1 CSCCSc1cnc(cn1)Cl 62a_100010214907_100000751147 [0,1,0,0,0,0|3,0,0]=4 1693 B12R1.1 CSCCSc1cnc(cn1)F 62a_100000212216_100009856528 [0,1,0,0,0,0|3,0,0]=4 1694 B12R1.1 CSCCSc1cnc(cn1)F 62a_100009856528_100000751147 [0,1,0,0,0,0|3,0,0]=4 1695 B12R1.1 CSCCSc1cnc(cn1)N 62a_100000212216_100000744751 [0,1,0,0,0,0|3,0,0]=4 1696 B12R1.1 CSCCSc1cnc(cn1)N 62a_100000744751_100000751147 [0,1,0,0,0,0|3,0,0]=4 1697 B12R1.1 CSCCSc1cnc(cn1)O 62a_100000212216_100015839800 [0,1,0,0,0,0|3,0,0]=4 1698 B12R1.1 CSCCSc1cnc(cn1)O 62a_100011934580_100000751147 [0,1,0,0,0,0|3,0,0]=4 1699 B12R1.1 CSCCSc1ncc(cn1)Br 62a_100000212216_100000690281 [0,1,0,0,0,0|3,0,0]=4 1700 B12R1.1 CSCCSc1ncc(cn1)Br 62a_100000690281_100000751147 [0,1,0,0,0,0|3,0,0]=4 1701 B12R1.1 CSCCSc1ncc(cn1)C 62a_100000061069_100000751147 [0,1,0,0,0,0|3,0,0]=4 1702 B12R1.1 CSCCSc1ncc(cn1)C 62a_100000212216_100000061069 [0,1,0,0,0,0|3,0,0]=4 1703 B12R1.1 CSCCSc1ncc(cn1)Cl 62a_100000212216_100011356929 [0,1,0,0,0,0|3,0,0]=4 1704 B12R1.1 CSCCSc1ncc(cn1)Cl 62a_100011356929_100000751147 [0,1,0,0,0,0|3,0,0]=4 1705 B12R1.1 CSCCSc1ncc(cn1)F 62a_100000212216_100000685220 [0,1,0,0,0,0|3,0,0]=4 1706 B12R1.1 CSCCSc1ncc(cn1)F 62a_100000685220_100000751147 [0,1,0,0,0,0|3,0,0]=4 1707 B12R1.1 CSCCSc1ncc(cn1)N 62a_100000068403_100000751147 [0,1,0,0,0,0|3,0,0]=4 1708 B12R1.1 CSCCSc1ncc(cn1)N 62a_100000212216_100000068403 [0,1,0,0,0,0|3,0,0]=4 1709 B12R1.1 CSCCSc1ncc(cn1)O 62a_100000212216_100000092845 [0,1,0,0,0,0|3,0,0]=4 1710 B12R1.1 CSCCSc1ncc(cn1)O 62a_100000730009_100000751147 [0,1,0,0,0,0|3,0,0]=4 1711 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [0,1,0,0,0,0|3,0,0]=4 1712 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [0,1,0,0,0,0|3,0,0]=4 1713 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [0,1,0,0,0,0|3,0,0]=4 1714 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [0,1,0,0,0,0|3,0,0]=4 1715 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [0,1,0,0,0,0|3,0,0]=4 1716 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [0,1,0,0,0,0|3,0,0]=4 1717 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [0,1,0,0,0,0|3,0,0]=4 1718 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [0,1,0,0,0,0|3,0,0]=4 1719 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [0,1,0,0,0,0|3,0,0]=4 1720 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [0,1,0,0,0,0|3,0,0]=4 1721 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [0,1,0,0,0,0|3,0,0]=4 1722 B12R1.1 CSCNCc1ccc(cn1)Br 34a_100015188789_100011218213 [0,1,0,0,0,0|2,0,0]=3 1723 B12R1.1 CSCNCc1ccc(cn1)C 34a_100015187455_100011218213 [0,1,0,0,0,0|2,0,0]=3 1724 B12R1.1 CSCNCc1ccc(cn1)Cl 34a_100000697193_100011218213 [0,1,0,0,0,0|2,0,0]=3 1725 B12R1.1 CSCNCc1ccc(cn1)F 34a_100020620131_100011218213 [0,1,0,0,0,0|2,0,0]=3 1726 B12R1.1 CSCNCc1cnc(cn1)C 34a_100132314150_100011218213 [0,1,0,0,0,0|3,0,0]=4 1727 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,1,0,0,0,0|3,0,0]=4 1728 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,1,0,0,0,0|3,0,0]=4 1729 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,1,0,0,0,0|3,0,0]=4 1730 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,1,0,0,0,0|3,0,0]=4 1731 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,1,0,0,0,0|3,0,0]=4 1732 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,1,0,0,0,0|3,0,0]=4 1733 B12R1.1 CSCOCc1ccc(cn1)Br 34a_100000754261_100011218213 [0,1,0,0,0,0|2,0,0]=3 1734 B12R1.1 CSCOCc1ccc(cn1)C 34a_100012001401_100011218213 [0,1,0,0,0,0|2,0,0]=3 1735 B12R1.1 CSCOCc1ccc(cn1)Cl 34a_100000703999_100011218213 [0,1,0,0,0,0|2,0,0]=3 1736 B12R1.1 CSCOCc1ccc(cn1)F 34a_100011999454_100011218213 [0,1,0,0,0,0|2,0,0]=3 1737 B12R1.1 CSCOCc1ccc(cn1)N 34a_100011998161_100011218213 [0,1,0,0,0,0|2,0,0]=3 1738 B12R1.1 CSCOCc1cnc(cn1)C 34a_100011273949_100011218213 [0,1,0,0,0,0|3,0,0]=4 1739 B12R1.1 CSCOCc1cnc(cn1)Cl 34a_100012002382_100011218213 [0,1,0,0,0,0|3,0,0]=4 1740 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100000189115_100011218213 [0,1,0,0,0,0|3,0,0]=4 1741 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100011218213_100000189115 [0,1,0,0,0,0|3,0,0]=4 1742 B12R1.1 CSCSCc1ccc(cc1)C 62a_100000210814_100011218213 [0,1,0,0,0,0|3,0,0]=4 1743 B12R1.1 CSCSCc1ccc(cc1)C 62a_100011218213_100000210814 [0,1,0,0,0,0|3,0,0]=4 1744 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100000187161_100011218213 [0,1,0,0,0,0|3,0,0]=4 1745 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100011218213_100000187161 [0,1,0,0,0,0|3,0,0]=4 1746 B12R1.1 CSCSCc1ccc(cc1)F 62a_100000198546_100011218213 [0,1,0,0,0,0|3,0,0]=4 1747 B12R1.1 CSCSCc1ccc(cc1)F 62a_100011218213_100000187164 [0,1,0,0,0,0|3,0,0]=4 1748 B12R1.1 CSCSCc1ccc(cc1)I 62a_100000189116_100011218213 [0,1,0,0,0,0|3,0,0]=4 1749 B12R1.1 CSCSCc1ccc(cc1)I 62a_100011218213_100000189116 [0,1,0,0,0,0|3,0,0]=4 1750 B12R1.1 CSCSCc1ccc(cn1)Br 62a_100000702658_100011218213 [0,1,0,0,0,0|2,0,0]=3 1751 B12R1.1 CSCSCc1ccc(cn1)Br 62a_100011218213_100000702658 [0,1,0,0,0,0|2,0,0]=3 1752 B12R1.1 CSCSCc1ccc(cn1)C 62a_100000691093_100011218213 [0,1,0,0,0,0|2,0,0]=3 1753 B12R1.1 CSCSCc1ccc(cn1)C 62a_100011218213_100000691093 [0,1,0,0,0,0|2,0,0]=3 1754 B12R1.1 CSCSCc1ccc(cn1)Cl 62a_100011218213_100000697101 [0,1,0,0,0,0|2,0,0]=3 1755 B12R1.1 CSCSCc1ccc(cn1)Cl 62a_100012066911_100011218213 [0,1,0,0,0,0|2,0,0]=3 1756 B12R1.1 CSCSCc1ccc(cn1)F 62a_100000703193_100011218213 [0,1,0,0,0,0|2,0,0]=3 1757 B12R1.1 CSCSCc1ccc(cn1)F 62a_100011218213_100000703193 [0,1,0,0,0,0|2,0,0]=3 1758 B12R1.1 CSCSCc1ccc(nn1)Cl 62a_100011218213_100016992710 [0,1,0,0,0,0|3,0,0]=4 1759 B12R1.1 CSCSCc1ccc(nn1)Cl 62a_100016992710_100011218213 [0,1,0,0,0,0|3,0,0]=4 1760 B12R1.1 CSCSCc1cnc(cn1)C 62a_100000752025_100011218213 [0,1,0,0,0,0|3,0,0]=4 1761 B12R1.1 CSCSCc1cnc(cn1)C 62a_100011218213_100000752025 [0,1,0,0,0,0|3,0,0]=4 1762 B12R1.1 CSCSCc1ncc(cn1)Br 62a_100010064664_100011218213 [0,1,0,0,0,0|3,0,0]=4 1763 B12R1.1 CSCSCc1ncc(cn1)Br 62a_100011218213_100010064664 [0,1,0,0,0,0|3,0,0]=4 1764 B12R1.1 CSCSCc1ncc(cn1)C 62a_100000685645_100011218213 [0,1,0,0,0,0|3,0,0]=4 1765 B12R1.1 CSCSCc1ncc(cn1)C 62a_100011218213_100000685645 [0,1,0,0,0,0|3,0,0]=4 1766 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,1,0,0,0,0|2,0,0]=3 1767 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,1,0,0,0,0|2,0,0]=3 1768 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,1,0,0,0,0|2,0,0]=3 1769 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,1,0,0,0,0|2,0,0]=3 1770 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,1,0,0,0,0|3,0,0]=4 1771 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [0,1,0,0,0,0|3,0,0]=4 1772 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [0,1,0,0,0,0|3,0,0]=4 1773 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [0,1,0,0,0,0|3,0,0]=4 1774 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [0,1,0,0,0,0|3,0,0]=4 1775 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,1,0,0,0,0|3,0,0]=4 1776 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,1,0,0,0,0|3,0,0]=4 1777 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,1,0,0,0,0|3,0,0]=4 1778 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,1,0,0,0,0|3,0,0]=4 1779 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,1,0,0,0,0|3,0,0]=4 1780 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,1,0,0,0,0|3,0,0]=4 1781 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,1,0,0,0,0|3,0,0]=4 1782 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,1,0,0,0,0|3,0,0]=4 1783 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,1,0,0,0,0|3,0,0]=4 1784 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,1,0,0,0,0|3,0,0]=4 1785 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,1,0,0,0,0|3,0,0]=4 1786 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,1,0,0,0,0|3,0,0]=4 1787 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,1,0,0,0,0|3,0,0]=4 1788 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,1,0,0,0,0|3,0,0]=4 1789 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,1,0,0,0,0|3,0,0]=4 1790 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100000210814_100011217306 [0,1,0,0,0,0|3,0,0]=4 1791 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100011217306_100000210814 [0,1,0,0,0,0|3,0,0]=4 1792 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [0,1,0,0,0,0|3,0,0]=4 1793 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [0,1,0,0,0,0|3,0,0]=4 1794 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [0,1,0,0,0,0|3,0,0]=4 1795 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [0,1,0,0,0,0|3,0,0]=4 1796 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,1,0,0,0,0|3,0,0]=4 1797 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,1,0,0,0,0|3,0,0]=4 1798 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,1,0,0,0,0|3,0,0]=4 1799 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,1,0,0,0,0|3,0,0]=4 1800 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,1,0,0,0,0|3,0,0]=4 1801 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,1,0,0,0,0|3,0,0]=4 1802 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,1,0,0,0,0|3,0,0]=4 1803 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,1,0,0,0,0|3,0,0]=4 1804 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,1,0,0,0,0|3,0,0]=4 1805 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,1,0,0,0,0|3,0,0]=4 1806 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [0,1,0,0,0,0|3,0,0]=4 1807 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [0,1,0,0,0,0|3,0,0]=4 1808 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [0,1,0,0,0,0|3,0,0]=4 1809 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [0,1,0,0,0,0|3,0,0]=4 1810 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [0,1,0,0,0,0|3,0,0]=4 1811 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [0,1,0,0,0,0|3,0,0]=4 1812 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [0,1,0,0,0,0|3,0,0]=4 1813 B12R1.1 Cc1ccc(nc1)CNCC=O 34a_100015187455_200009817547 [0,1,0,0,0,0|2,0,1]=4 1814 B12R1.1 Cc1ccc(nc1)CNCCF 34a_100000724931_100000691093 [0,1,0,0,0,0|2,0,0]=3 1815 B12R1.1 Cc1ccc(nc1)CNCCF 34a_100015187455_100011217306 [0,1,0,0,0,0|2,0,0]=3 1816 B12R1.1 Cc1ccc(nc1)CNCCO 207a_100000210304_100000050478 [0,1,0,0,0,0|2,0,0]=3 1817 B12R1.1 Cc1ccc(nc1)CNCCO 2230a_100016997473_100000691093 [0,1,0,0,0,0|2,0,0]=3 1818 B12R1.1 Cc1ccc(nc1)CNCCO 270004a_100000210304_100000050478 [0,1,0,0,0,0|2,0,0]=3 1819 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100015187455_100000211926 [0,1,0,0,0,0|2,0,0]=3 1820 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100016990907_100000691093 [0,1,0,0,0,0|2,0,0]=3 1821 B12R1.1 Cc1ccc(nc1)COCC=O 34a_100012001401_200009817547 [0,1,0,0,0,0|2,0,1]=4 1822 B12R1.1 Cc1ccc(nc1)COCCBr 34a_100000211926_100000691093 [0,1,0,0,0,0|2,0,0]=3 1823 B12R1.1 Cc1ccc(nc1)COCCF 34a_100012001401_100011217306 [0,1,0,0,0,0|2,0,0]=3 1824 B12R1.1 Cc1ccc(nc1)COCCN 34a_100000210304_100000691093 [0,1,0,0,0,0|2,0,0]=3 1825 B12R1.1 Cc1ccc(nc1)COCCO 34a_100012001401_100000211926 [0,1,0,0,0,0|2,0,0]=3 1826 B12R1.1 Cc1ccc(nc1)CSCC#N 62a_100000691093_100011215382 [0,1,0,0,0,0|2,0,1]=4 1827 B12R1.1 Cc1ccc(nc1)CSCC#N 62a_100011215382_100000691093 [0,1,0,0,0,0|2,0,1]=4 1828 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_100000691093_200015260668 [0,1,0,0,0,0|2,0,1]=4 1829 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_200015260668_100000691093 [0,1,0,0,0,0|2,0,1]=4 1830 B12R1.1 Cc1ccc(nc1)CSCCF 62a_100000691093_100011217306 [0,1,0,0,0,0|2,0,0]=3 1831 B12R1.1 Cc1ccc(nc1)CSCCF 62a_100011217306_100000691093 [0,1,0,0,0,0|2,0,0]=3 1832 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000211926_100000691093 [0,1,0,0,0,0|2,0,0]=3 1833 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000691093_100000211926 [0,1,0,0,0,0|2,0,0]=3 1834 B12R1.1 Cc1ccc(nc1)OCCCF 34a_100000759353_100011934791 [0,1,0,0,0,0|2,0,0]=3 1835 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [0,1,0,0,0,0|2,0,0]=3 1836 B12R1.1 Cc1ccc(nc1)SCCC#N 62a_100011192072_100011215226 [0,1,0,0,0,0|2,0,1]=4 1837 B12R1.1 Cc1ccc(nc1)SCCC#N 62a_100011215226_100000754016 [0,1,0,0,0,0|2,0,1]=4 1838 B12R1.1 Cc1ccc(nc1)SCCCF 62a_100011192072_100011934791 [0,1,0,0,0,0|2,0,0]=3 1839 B12R1.1 Cc1ccc(nc1)SCCCF 62a_100011934791_100000754016 [0,1,0,0,0,0|2,0,0]=3 1840 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [0,1,0,0,0,0|2,0,0]=3 1841 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [0,1,0,0,0,0|2,0,0]=3 1842 B12R1.1 Cc1ccc(nn1)NCCCF 27a_100015189416_100000744512 [0,1,0,0,0,0|3,0,0]=4 1843 B12R1.1 Cc1ccc(nn1)NCCCO 27a_100000182051_100000744512 [0,1,0,0,0,0|3,0,0]=4 1844 B12R1.1 Cc1ccc(nn1)SCCCF 62a_100000744512_100011934791 [0,1,0,0,0,0|3,0,0]=4 1845 B12R1.1 Cc1ccc(nn1)SCCCF 62a_100011934791_100000744512 [0,1,0,0,0,0|3,0,0]=4 1846 B12R1.1 Cc1ccc(nn1)SCCCO 62a_100000744512_100011215043 [0,1,0,0,0,0|3,0,0]=4 1847 B12R1.1 Cc1ccc(nn1)SCCCO 62a_100011215043_100000744512 [0,1,0,0,0,0|3,0,0]=4 1848 B12R1.1 Cc1cnc(cn1)CNCCF 34a_100132314150_100011217306 [0,1,0,0,0,0|3,0,0]=4 1849 B12R1.1 Cc1cnc(cn1)CNCCO 2230a_100016997473_100000752025 [0,1,0,0,0,0|3,0,0]=4 1850 B12R1.1 Cc1cnc(cn1)CNCCO 270004a_100000210304_100000685221 [0,1,0,0,0,0|3,0,0]=4 1851 B12R1.1 Cc1cnc(cn1)CNCCO 34a_100132314150_100000211926 [0,1,0,0,0,0|3,0,0]=4 1852 B12R1.1 Cc1cnc(cn1)COCCF 34a_100011273949_100011217306 [0,1,0,0,0,0|3,0,0]=4 1853 B12R1.1 Cc1cnc(cn1)COCCO 34a_100011273949_100000211926 [0,1,0,0,0,0|3,0,0]=4 1854 B12R1.1 Cc1cnc(cn1)CSCCF 62a_100000752025_100011217306 [0,1,0,0,0,0|3,0,0]=4 1855 B12R1.1 Cc1cnc(cn1)CSCCF 62a_100011217306_100000752025 [0,1,0,0,0,0|3,0,0]=4 1856 B12R1.1 Cc1cnc(cn1)CSCCO 62a_100000211926_100000752025 [0,1,0,0,0,0|3,0,0]=4 1857 B12R1.1 Cc1cnc(cn1)CSCCO 62a_100000752025_100000211926 [0,1,0,0,0,0|3,0,0]=4 1858 B12R1.1 Cc1cnc(cn1)NCCCF 27a_100015189416_100000074397 [0,1,0,0,0,0|3,0,0]=4 1859 B12R1.1 Cc1cnc(cn1)NCCCO 27a_100000182051_100000074397 [0,1,0,0,0,0|3,0,0]=4 1860 B12R1.1 Cc1cnc(cn1)SCCCF 62a_100011934791_100011999403 [0,1,0,0,0,0|3,0,0]=4 1861 B12R1.1 Cc1cnc(cn1)SCCCF 62a_100011999403_100011934791 [0,1,0,0,0,0|3,0,0]=4 1862 B12R1.1 Cc1cnc(cn1)SCCCO 62a_100011215043_100011999403 [0,1,0,0,0,0|3,0,0]=4 1863 B12R1.1 Cc1cnc(cn1)SCCCO 62a_100011999403_100011215043 [0,1,0,0,0,0|3,0,0]=4 1864 B12R1.1 Cc1cnc(nc1)CNCCF 34a_100000724931_100000685645 [0,1,0,0,0,0|3,0,0]=4 1865 B12R1.1 Cc1cnc(nc1)CNCCO 2230a_100016997473_100000685645 [0,1,0,0,0,0|3,0,0]=4 1866 B12R1.1 Cc1cnc(nc1)CNCCO 34a_100016990907_100000685645 [0,1,0,0,0,0|3,0,0]=4 1867 B12R1.1 Cc1cnc(nc1)COCCBr 34a_100000211926_100000685645 [0,1,0,0,0,0|3,0,0]=4 1868 B12R1.1 Cc1cnc(nc1)COCCN 34a_100000210304_100000685645 [0,1,0,0,0,0|3,0,0]=4 1869 B12R1.1 Cc1cnc(nc1)CSCCF 62a_100000685645_100011217306 [0,1,0,0,0,0|3,0,0]=4 1870 B12R1.1 Cc1cnc(nc1)CSCCF 62a_100011217306_100000685645 [0,1,0,0,0,0|3,0,0]=4 1871 B12R1.1 Cc1cnc(nc1)CSCCO 62a_100000211926_100000685645 [0,1,0,0,0,0|3,0,0]=4 1872 B12R1.1 Cc1cnc(nc1)CSCCO 62a_100000685645_100000211926 [0,1,0,0,0,0|3,0,0]=4 1873 B12R1.1 Cc1cnc(nc1)NCCCF 27a_100015189416_100000061069 [0,1,0,0,0,0|3,0,0]=4 1874 B12R1.1 Cc1cnc(nc1)NCCCO 27a_100000182051_100000061069 [0,1,0,0,0,0|3,0,0]=4 1875 B12R1.1 Cc1cnc(nc1)SCCCF 62a_100000061069_100011934791 [0,1,0,0,0,0|3,0,0]=4 1876 B12R1.1 Cc1cnc(nc1)SCCCF 62a_100011934791_100000061069 [0,1,0,0,0,0|3,0,0]=4 1877 B12R1.1 Cc1cnc(nc1)SCCCO 62a_100000061069_100011215043 [0,1,0,0,0,0|3,0,0]=4 1878 B12R1.1 Cc1cnc(nc1)SCCCO 62a_100011215043_100000061069 [0,1,0,0,0,0|3,0,0]=4 1879 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [0,1,0,0,0,0|3,0,0]=4 1880 B12R1.1 Clc1ccc(nc1)COCCBr 34a_100000211926_100012066911 [0,1,0,0,0,0|2,0,0]=3 1881 B12R1.1 Clc1ccc(nn1)COCCBr 34a_100000211926_100016992710 [0,1,0,0,0,0|3,0,0]=4 1882 B12R1.1 FCCCNc1ccc(cc1)Br 2230a_100000210018_100011934791 [0,1,0,0,0,0|3,0,0]=4 1883 B12R1.1 FCCCNc1ccc(cc1)Br 34a_100000210018_100011934791 [0,1,0,0,0,0|3,0,0]=4 1884 B12R1.1 FCCCNc1ccc(cc1)Cl 2230a_100000210052_100011934791 [0,1,0,0,0,0|3,0,0]=4 1885 B12R1.1 FCCCNc1ccc(cc1)Cl 34a_100000210052_100011934791 [0,1,0,0,0,0|3,0,0]=4 1886 B12R1.1 FCCCNc1ccc(cc1)F 34a_100000185862_100011934791 [0,1,0,0,0,0|3,0,0]=4 1887 B12R1.1 FCCCNc1ccc(cc1)I 34a_100000185761_100011934791 [0,1,0,0,0,0|3,0,0]=4 1888 B12R1.1 FCCCNc1ccc(cn1)Br 27a_100015189416_100000686858 [0,1,0,0,0,0|2,0,0]=3 1889 B12R1.1 FCCCNc1cnc(cn1)Br 27a_100015189416_100010187541 [0,1,0,0,0,0|3,0,0]=4 1890 B12R1.1 FCCCNc1cnc(cn1)F 27a_100015189416_100009856528 [0,1,0,0,0,0|3,0,0]=4 1891 B12R1.1 FCCCNc1ncc(cn1)Br 27a_100015189416_100000690281 [0,1,0,0,0,0|3,0,0]=4 1892 B12R1.1 FCCCNc1ncc(cn1)Cl 27a_100015189416_100011356929 [0,1,0,0,0,0|3,0,0]=4 1893 B12R1.1 FCCCNc1ncc(cn1)F 27a_100015189416_100000685220 [0,1,0,0,0,0|3,0,0]=4 1894 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [0,1,0,0,0,0|3,0,0]=4 1895 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [0,1,0,0,0,0|3,0,0]=4 1896 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [0,1,0,0,0,0|3,0,0]=4 1897 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [0,1,0,0,0,0|3,0,0]=4 1898 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [0,1,0,0,0,0|3,0,0]=4 1899 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [0,1,0,0,0,0|3,0,0]=4 1900 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [0,1,0,0,0,0|3,0,0]=4 1901 B12R1.1 FCCCOc1ccc(cn1)Cl 34a_100011215309_100011934791 [0,1,0,0,0,0|2,0,0]=3 1902 B12R1.1 FCCCOc1ccc(cn1)F 34a_100000742473_100011934791 [0,1,0,0,0,0|2,0,0]=3 1903 B12R1.1 FCCCOc1cnc(cn1)Br 34a_100011934580_100011934791 [0,1,0,0,0,0|3,0,0]=4 1904 B12R1.1 FCCCOc1cnc(cn1)Cl 34a_100015839800_100011934791 [0,1,0,0,0,0|3,0,0]=4 1905 B12R1.1 FCCCOc1ncc(cn1)F 34a_100011934040_100011934791 [0,1,0,0,0,0|3,0,0]=4 1906 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100000752885_100011934791 [0,1,0,0,0,0|3,0,0]=4 1907 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100011934791_100000752885 [0,1,0,0,0,0|3,0,0]=4 1908 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100000755918_100011934791 [0,1,0,0,0,0|3,0,0]=4 1909 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100011934791_100000755918 [0,1,0,0,0,0|3,0,0]=4 1910 B12R1.1 FCCCSc1ccc(cc1)F 62a_100000211213_100011934791 [0,1,0,0,0,0|3,0,0]=4 1911 B12R1.1 FCCCSc1ccc(cc1)F 62a_100011934791_100000211213 [0,1,0,0,0,0|3,0,0]=4 1912 B12R1.1 FCCCSc1ccc(cn1)Br 62a_100000686858_100011934791 [0,1,0,0,0,0|2,0,0]=3 1913 B12R1.1 FCCCSc1ccc(cn1)Br 62a_100011934791_100000686858 [0,1,0,0,0,0|2,0,0]=3 1914 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011356976_100011934791 [0,1,0,0,0,0|2,0,0]=3 1915 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011934791_100011356976 [0,1,0,0,0,0|2,0,0]=3 1916 B12R1.1 FCCCSc1ccc(cn1)F 62a_100000744514_100011934791 [0,1,0,0,0,0|2,0,0]=3 1917 B12R1.1 FCCCSc1ccc(cn1)F 62a_100011934791_100000744514 [0,1,0,0,0,0|2,0,0]=3 1918 B12R1.1 FCCCSc1ccc(nn1)Cl 62a_100000068654_100011934791 [0,1,0,0,0,0|3,0,0]=4 1919 B12R1.1 FCCCSc1ccc(nn1)Cl 62a_100011934791_100000068654 [0,1,0,0,0,0|3,0,0]=4 1920 B12R1.1 FCCCSc1cnc(cn1)Br 62a_100010187541_100011934791 [0,1,0,0,0,0|3,0,0]=4 1921 B12R1.1 FCCCSc1cnc(cn1)Br 62a_100011934791_100010187541 [0,1,0,0,0,0|3,0,0]=4 1922 B12R1.1 FCCCSc1cnc(cn1)Cl 62a_100010214907_100011934791 [0,1,0,0,0,0|3,0,0]=4 1923 B12R1.1 FCCCSc1cnc(cn1)Cl 62a_100011934791_100010214907 [0,1,0,0,0,0|3,0,0]=4 1924 B12R1.1 FCCCSc1cnc(cn1)F 62a_100009856528_100011934791 [0,1,0,0,0,0|3,0,0]=4 1925 B12R1.1 FCCCSc1cnc(cn1)F 62a_100011934791_100009856528 [0,1,0,0,0,0|3,0,0]=4 1926 B12R1.1 FCCCSc1ncc(cn1)Br 62a_100000690281_100011934791 [0,1,0,0,0,0|3,0,0]=4 1927 B12R1.1 FCCCSc1ncc(cn1)Br 62a_100011934791_100000690281 [0,1,0,0,0,0|3,0,0]=4 1928 B12R1.1 FCCCSc1ncc(cn1)Cl 62a_100011356929_100011934791 [0,1,0,0,0,0|3,0,0]=4 1929 B12R1.1 FCCCSc1ncc(cn1)Cl 62a_100011934791_100011356929 [0,1,0,0,0,0|3,0,0]=4 1930 B12R1.1 FCCCSc1ncc(cn1)F 62a_100000685220_100011934791 [0,1,0,0,0,0|3,0,0]=4 1931 B12R1.1 FCCCSc1ncc(cn1)F 62a_100011934791_100000685220 [0,1,0,0,0,0|3,0,0]=4 1932 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [0,1,0,0,0,0|3,0,0]=4 1933 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [0,1,0,0,0,0|3,0,0]=4 1934 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [0,1,0,0,0,0|3,0,0]=4 1935 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [0,1,0,0,0,0|3,0,0]=4 1936 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [0,1,0,0,0,0|3,0,0]=4 1937 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [0,1,0,0,0,0|3,0,0]=4 1938 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [0,1,0,0,0,0|3,0,0]=4 1939 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [0,1,0,0,0,0|3,0,0]=4 1940 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [0,1,0,0,0,0|3,0,0]=4 1941 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [0,1,0,0,0,0|3,0,0]=4 1942 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [0,1,0,0,0,0|3,0,0]=4 1943 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [0,1,0,0,0,0|3,0,0]=4 1944 B12R1.1 FCCNCc1ccc(cn1)Br 34a_100000724931_100000702658 [0,1,0,0,0,0|2,0,0]=3 1945 B12R1.1 FCCNCc1ccc(cn1)Br 34a_100015188789_100011217306 [0,1,0,0,0,0|2,0,0]=3 1946 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000697193_100011217306 [0,1,0,0,0,0|2,0,0]=3 1947 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000724931_100012066911 [0,1,0,0,0,0|2,0,0]=3 1948 B12R1.1 FCCNCc1ccc(cn1)F 34a_100000724931_100000703193 [0,1,0,0,0,0|2,0,0]=3 1949 B12R1.1 FCCNCc1ccc(cn1)F 34a_100020620131_100011217306 [0,1,0,0,0,0|2,0,0]=3 1950 B12R1.1 FCCNCc1ccc(nn1)Cl 34a_100000724931_100016992710 [0,1,0,0,0,0|3,0,0]=4 1951 B12R1.1 FCCNCc1ncc(cn1)Br 34a_100000724931_100010064664 [0,1,0,0,0,0|3,0,0]=4 1952 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [0,1,0,0,0,0|3,0,0]=4 1953 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [0,1,0,0,0,0|3,0,0]=4 1954 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [0,1,0,0,0,0|3,0,0]=4 1955 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [0,1,0,0,0,0|3,0,0]=4 1956 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [0,1,0,0,0,0|3,0,0]=4 1957 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [0,1,0,0,0,0|3,0,0]=4 1958 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [0,1,0,0,0,0|3,0,0]=4 1959 B12R1.1 FCCOCc1ccc(cn1)Br 34a_100000754261_100011217306 [0,1,0,0,0,0|2,0,0]=3 1960 B12R1.1 FCCOCc1ccc(cn1)Cl 34a_100000703999_100011217306 [0,1,0,0,0,0|2,0,0]=3 1961 B12R1.1 FCCOCc1ccc(cn1)F 34a_100011999454_100011217306 [0,1,0,0,0,0|2,0,0]=3 1962 B12R1.1 FCCOCc1cnc(cn1)Cl 34a_100012002382_100011217306 [0,1,0,0,0,0|3,0,0]=4 1963 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100000189115_100011217306 [0,1,0,0,0,0|3,0,0]=4 1964 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100011217306_100000189115 [0,1,0,0,0,0|3,0,0]=4 1965 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100000187161_100011217306 [0,1,0,0,0,0|3,0,0]=4 1966 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100011217306_100000187161 [0,1,0,0,0,0|3,0,0]=4 1967 B12R1.1 FCCSCc1ccc(cc1)F 62a_100000198546_100011217306 [0,1,0,0,0,0|3,0,0]=4 1968 B12R1.1 FCCSCc1ccc(cc1)F 62a_100011217306_100000187164 [0,1,0,0,0,0|3,0,0]=4 1969 B12R1.1 FCCSCc1ccc(cc1)I 62a_100000189116_100011217306 [0,1,0,0,0,0|3,0,0]=4 1970 B12R1.1 FCCSCc1ccc(cc1)I 62a_100011217306_100000189116 [0,1,0,0,0,0|3,0,0]=4 1971 B12R1.1 FCCSCc1ccc(cn1)Br 62a_100000702658_100011217306 [0,1,0,0,0,0|2,0,0]=3 1972 B12R1.1 FCCSCc1ccc(cn1)Br 62a_100011217306_100000702658 [0,1,0,0,0,0|2,0,0]=3 1973 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100011217306_100000697101 [0,1,0,0,0,0|2,0,0]=3 1974 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100012066911_100011217306 [0,1,0,0,0,0|2,0,0]=3 1975 B12R1.1 FCCSCc1ccc(cn1)F 62a_100000703193_100011217306 [0,1,0,0,0,0|2,0,0]=3 1976 B12R1.1 FCCSCc1ccc(cn1)F 62a_100011217306_100000703193 [0,1,0,0,0,0|2,0,0]=3 1977 B12R1.1 FCCSCc1ccc(nn1)Cl 62a_100011217306_100016992710 [0,1,0,0,0,0|3,0,0]=4 1978 B12R1.1 FCCSCc1ccc(nn1)Cl 62a_100016992710_100011217306 [0,1,0,0,0,0|3,0,0]=4 1979 B12R1.1 FCCSCc1ncc(cn1)Br 62a_100010064664_100011217306 [0,1,0,0,0,0|3,0,0]=4 1980 B12R1.1 FCCSCc1ncc(cn1)Br 62a_100011217306_100010064664 [0,1,0,0,0,0|3,0,0]=4 1981 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [0,1,0,0,0,0|3,0,0]=4 1982 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [0,1,0,0,0,0|3,0,0]=4 1983 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [0,1,0,0,0,0|3,0,0]=4 1984 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [0,1,0,0,0,0|3,0,0]=4 1985 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [0,1,0,0,0,0|3,0,0]=4 1986 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [0,1,0,0,0,0|3,0,0]=4 1987 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [0,1,0,0,0,0|3,0,0]=4 1988 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [0,1,0,0,0,0|3,0,0]=4 1989 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [0,1,0,0,0,0|3,0,0]=4 1990 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [0,1,0,0,0,0|3,0,0]=4 1991 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [0,1,0,0,0,0|3,0,0]=4 1992 B12R1.1 FCOCCc1ccc(cn1)Br 34a_100012357577_100015361967 [0,1,0,0,0,0|2,0,0]=3 1993 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [0,1,0,0,0,0|3,0,0]=4 1994 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [0,1,0,0,0,0|3,0,0]=4 1995 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [0,1,0,0,0,0|3,0,0]=4 1996 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [0,1,0,0,0,0|3,0,0]=4 1997 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [0,1,0,0,0,0|3,0,0]=4 1998 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [0,1,0,0,0,0|3,0,0]=4 1999 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [0,1,0,0,0,0|3,0,0]=4 2000 B12R1.1 Fc1ccc(nc1)COCCBr 34a_100000211926_100000703193 [0,1,0,0,0,0|2,0,0]=3 2001 B12R1.1 N#CCCNc1ccc(cn1)Br 27a_100000720768_100000686858 [0,1,0,0,0,0|2,0,1]=4 2002 B12R1.1 N#CCCSc1ccc(cn1)Br 62a_100000686858_100011215226 [0,1,0,0,0,0|2,0,1]=4 2003 B12R1.1 N#CCCSc1ccc(cn1)Br 62a_100011215226_100000686858 [0,1,0,0,0,0|2,0,1]=4 2004 B12R1.1 N#CCCSc1ccc(cn1)Cl 62a_100011215226_100011356976 [0,1,0,0,0,0|2,0,1]=4 2005 B12R1.1 N#CCCSc1ccc(cn1)Cl 62a_100011356976_100011215226 [0,1,0,0,0,0|2,0,1]=4 2006 B12R1.1 N#CCCSc1ccc(cn1)F 62a_100000744514_100011215226 [0,1,0,0,0,0|2,0,1]=4 2007 B12R1.1 N#CCCSc1ccc(cn1)F 62a_100011215226_100000744514 [0,1,0,0,0,0|2,0,1]=4 2008 B12R1.1 N#CCCSc1ccc(cn1)N 62a_100000737798_100011215226 [0,1,0,0,0,0|2,0,1]=4 2009 B12R1.1 N#CCCSc1ccc(cn1)N 62a_100011215226_100000737798 [0,1,0,0,0,0|2,0,1]=4 2010 B12R1.1 N#CCCSc1ccc(cn1)O 62a_100000685995_100011215226 [0,1,0,0,0,0|2,0,1]=4 2011 B12R1.1 N#CCCSc1ccc(cn1)O 62a_100011215226_100000744096 [0,1,0,0,0,0|2,0,1]=4 2012 B12R1.1 N#CCSCc1ccc(cn1)Br 62a_100000702658_100011215382 [0,1,0,0,0,0|2,0,1]=4 2013 B12R1.1 N#CCSCc1ccc(cn1)Br 62a_100011215382_100000702658 [0,1,0,0,0,0|2,0,1]=4 2014 B12R1.1 N#CCSCc1ccc(cn1)Cl 62a_100011215382_100000697101 [0,1,0,0,0,0|2,0,1]=4 2015 B12R1.1 N#CCSCc1ccc(cn1)Cl 62a_100012066911_100011215382 [0,1,0,0,0,0|2,0,1]=4 2016 B12R1.1 N#CCSCc1ccc(cn1)F 62a_100000703193_100011215382 [0,1,0,0,0,0|2,0,1]=4 2017 B12R1.1 N#CCSCc1ccc(cn1)F 62a_100011215382_100000703193 [0,1,0,0,0,0|2,0,1]=4 2018 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,1,0,0,0,0|3,0,0]=4 2019 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,1,0,0,0,0|3,0,0]=4 2020 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,1,0,0,0,0|3,0,0]=4 2021 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,1,0,0,0,0|3,0,0]=4 2022 B12R1.1 NCCOCc1ccc(cn1)Br 34a_100000210304_100000702658 [0,1,0,0,0,0|2,0,0]=3 2023 B12R1.1 NCCOCc1ccc(cn1)Cl 34a_100000210304_100012066911 [0,1,0,0,0,0|2,0,0]=3 2024 B12R1.1 NCCOCc1ccc(cn1)F 34a_100000210304_100000703193 [0,1,0,0,0,0|2,0,0]=3 2025 B12R1.1 NCCOCc1ccc(nn1)Cl 34a_100000210304_100016992710 [0,1,0,0,0,0|3,0,0]=4 2026 B12R1.1 NCCOCc1ncc(cn1)Br 34a_100000210304_100010064664 [0,1,0,0,0,0|3,0,0]=4 2027 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [0,1,0,0,0,0|3,0,0]=4 2028 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [0,1,0,0,0,0|3,0,0]=4 2029 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,1,0,0,0,0|3,0,0]=4 2030 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [0,1,0,0,0,0|3,0,0]=4 2031 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,1,0,0,0,0|3,0,0]=4 2032 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100000185761_100011934791 [0,1,0,0,0,0|3,0,0]=4 2033 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100011934791_100000185761 [0,1,0,0,0,0|3,0,0]=4 2034 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [0,1,0,0,0,0|3,0,0]=4 2035 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [0,1,0,0,0,0|3,0,0]=4 2036 B12R1.1 Nc1ccc(nc1)COCC=O 34a_100011998161_200009817547 [0,1,0,0,0,0|2,0,1]=4 2037 B12R1.1 Nc1ccc(nc1)COCCF 34a_100011998161_100011217306 [0,1,0,0,0,0|2,0,0]=3 2038 B12R1.1 Nc1ccc(nc1)COCCO 34a_100011998161_100000211926 [0,1,0,0,0,0|2,0,0]=3 2039 B12R1.1 Nc1ccc(nc1)OCCCF 34a_100000729260_100011934791 [0,1,0,0,0,0|2,0,0]=3 2040 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [0,1,0,0,0,0|2,0,0]=3 2041 B12R1.1 Nc1ccc(nc1)SCCCF 62a_100000737798_100011934791 [0,1,0,0,0,0|2,0,0]=3 2042 B12R1.1 Nc1ccc(nc1)SCCCF 62a_100011934791_100000737798 [0,1,0,0,0,0|2,0,0]=3 2043 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [0,1,0,0,0,0|2,0,0]=3 2044 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [0,1,0,0,0,0|2,0,0]=3 2045 B12R1.1 Nc1ccc(nn1)SCCCF 62a_100010219413_100011934791 [0,1,0,0,0,0|3,0,0]=4 2046 B12R1.1 Nc1ccc(nn1)SCCCF 62a_100011934791_100010219413 [0,1,0,0,0,0|3,0,0]=4 2047 B12R1.1 Nc1ccc(nn1)SCCCO 62a_100010219413_100011215043 [0,1,0,0,0,0|3,0,0]=4 2048 B12R1.1 Nc1ccc(nn1)SCCCO 62a_100011215043_100010219413 [0,1,0,0,0,0|3,0,0]=4 2049 B12R1.1 Nc1cnc(cn1)SCCCF 62a_100000744751_100011934791 [0,1,0,0,0,0|3,0,0]=4 2050 B12R1.1 Nc1cnc(cn1)SCCCF 62a_100011934791_100000744751 [0,1,0,0,0,0|3,0,0]=4 2051 B12R1.1 Nc1cnc(cn1)SCCCO 62a_100000744751_100011215043 [0,1,0,0,0,0|3,0,0]=4 2052 B12R1.1 Nc1cnc(cn1)SCCCO 62a_100011215043_100000744751 [0,1,0,0,0,0|3,0,0]=4 2053 B12R1.1 Nc1cnc(nc1)SCCCF 62a_100000068403_100011934791 [0,1,0,0,0,0|3,0,0]=4 2054 B12R1.1 Nc1cnc(nc1)SCCCF 62a_100011934791_100000068403 [0,1,0,0,0,0|3,0,0]=4 2055 B12R1.1 Nc1cnc(nc1)SCCCO 62a_100000068403_100011215043 [0,1,0,0,0,0|3,0,0]=4 2056 B12R1.1 Nc1cnc(nc1)SCCCO 62a_100011215043_100000068403 [0,1,0,0,0,0|3,0,0]=4 2057 B12R1.1 O=CCNCc1ccc(cn1)Br 34a_100015188789_200009817547 [0,1,0,0,0,0|2,0,1]=4 2058 B12R1.1 O=CCNCc1ccc(cn1)Cl 34a_100000697193_200009817547 [0,1,0,0,0,0|2,0,1]=4 2059 B12R1.1 O=CCNCc1ccc(cn1)F 34a_100020620131_200009817547 [0,1,0,0,0,0|2,0,1]=4 2060 B12R1.1 O=CCOCc1ccc(cn1)Br 34a_100000754261_200009817547 [0,1,0,0,0,0|2,0,1]=4 2061 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [0,1,0,0,0,0|2,0,1]=4 2062 B12R1.1 O=CCOCc1ccc(cn1)F 34a_100011999454_200009817547 [0,1,0,0,0,0|2,0,1]=4 2063 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_100000702658_200015260668 [0,1,0,0,0,0|2,0,1]=4 2064 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_200015260668_100000702658 [0,1,0,0,0,0|2,0,1]=4 2065 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_100012066911_200015260668 [0,1,0,0,0,0|2,0,1]=4 2066 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_200015260668_100000697101 [0,1,0,0,0,0|2,0,1]=4 2067 B12R1.1 O=CCSCc1ccc(cn1)F 62a_100000703193_200015260668 [0,1,0,0,0,0|2,0,1]=4 2068 B12R1.1 O=CCSCc1ccc(cn1)F 62a_200015260668_100000703193 [0,1,0,0,0,0|2,0,1]=4 2069 B12R1.1 O=c1ccc(n[nH]1)CNCCO 207a_100000210304_100011361533 [0,1,0,0,0,0|3,0,0]=4 2070 B12R1.1 O=c1ccc(n[nH]1)CNCCO 270004a_100000210304_100011361533 [0,1,0,0,0,0|3,0,0]=4 2071 B12R1.1 O=c1ccc(n[nH]1)SCCCF 62a_100009820020_100011934791 [0,1,0,0,0,0|3,0,0]=4 2072 B12R1.1 O=c1ccc(n[nH]1)SCCCF 62a_100011934791_100009820020 [0,1,0,0,0,0|3,0,0]=4 2073 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100009820020_100011215043 [0,1,0,0,0,0|3,0,0]=4 2074 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100011215043_100009820020 [0,1,0,0,0,0|3,0,0]=4 2075 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [0,1,0,0,0,0|3,0,0]=4 2076 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [0,1,0,0,0,0|3,0,0]=4 2077 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [0,1,0,0,0,0|3,0,0]=4 2078 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [0,1,0,0,0,0|3,0,0]=4 2079 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [0,1,0,0,0,0|3,0,0]=4 2080 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [0,1,0,0,0,0|3,0,0]=4 2081 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [0,1,0,0,0,0|3,0,0]=4 2082 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [0,1,0,0,0,0|2,0,0]=3 2083 B12R1.1 OCCCNc1cnc(cn1)Br 27a_100000182051_100010187541 [0,1,0,0,0,0|3,0,0]=4 2084 B12R1.1 OCCCNc1cnc(cn1)F 27a_100000182051_100009856528 [0,1,0,0,0,0|3,0,0]=4 2085 B12R1.1 OCCCNc1ncc(cn1)Br 27a_100000182051_100000690281 [0,1,0,0,0,0|3,0,0]=4 2086 B12R1.1 OCCCNc1ncc(cn1)Cl 27a_100000182051_100011356929 [0,1,0,0,0,0|3,0,0]=4 2087 B12R1.1 OCCCNc1ncc(cn1)F 27a_100000182051_100000685220 [0,1,0,0,0,0|3,0,0]=4 2088 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,1,0,0,0,0|3,0,0]=4 2089 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,1,0,0,0,0|3,0,0]=4 2090 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,1,0,0,0,0|3,0,0]=4 2091 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,1,0,0,0,0|3,0,0]=4 2092 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,1,0,0,0,0|3,0,0]=4 2093 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,1,0,0,0,0|3,0,0]=4 2094 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,1,0,0,0,0|3,0,0]=4 2095 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,1,0,0,0,0|3,0,0]=4 2096 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [0,1,0,0,0,0|2,0,0]=3 2097 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [0,1,0,0,0,0|2,0,0]=3 2098 B12R1.1 OCCCOc1cnc(cn1)Br 34a_100011934580_100000230001 [0,1,0,0,0,0|3,0,0]=4 2099 B12R1.1 OCCCOc1cnc(cn1)Cl 34a_100015839800_100000230001 [0,1,0,0,0,0|3,0,0]=4 2100 B12R1.1 OCCCOc1ncc(cn1)F 34a_100011934040_100000230001 [0,1,0,0,0,0|3,0,0]=4 2101 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [0,1,0,0,0,0|3,0,0]=4 2102 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [0,1,0,0,0,0|3,0,0]=4 2103 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [0,1,0,0,0,0|3,0,0]=4 2104 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [0,1,0,0,0,0|3,0,0]=4 2105 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [0,1,0,0,0,0|3,0,0]=4 2106 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [0,1,0,0,0,0|3,0,0]=4 2107 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [0,1,0,0,0,0|3,0,0]=4 2108 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [0,1,0,0,0,0|2,0,0]=3 2109 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [0,1,0,0,0,0|2,0,0]=3 2110 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [0,1,0,0,0,0|2,0,0]=3 2111 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [0,1,0,0,0,0|2,0,0]=3 2112 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [0,1,0,0,0,0|2,0,0]=3 2113 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [0,1,0,0,0,0|2,0,0]=3 2114 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [0,1,0,0,0,0|2,0,0]=3 2115 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [0,1,0,0,0,0|2,0,0]=3 2116 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100000068654_100011215043 [0,1,0,0,0,0|3,0,0]=4 2117 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100011215043_100000068654 [0,1,0,0,0,0|3,0,0]=4 2118 B12R1.1 OCCCSc1cnc(cn1)Br 62a_100010187541_100011215043 [0,1,0,0,0,0|3,0,0]=4 2119 B12R1.1 OCCCSc1cnc(cn1)Br 62a_100011215043_100010187541 [0,1,0,0,0,0|3,0,0]=4 2120 B12R1.1 OCCCSc1cnc(cn1)Cl 62a_100010214907_100011215043 [0,1,0,0,0,0|3,0,0]=4 2121 B12R1.1 OCCCSc1cnc(cn1)Cl 62a_100011215043_100010214907 [0,1,0,0,0,0|3,0,0]=4 2122 B12R1.1 OCCCSc1cnc(cn1)F 62a_100009856528_100011215043 [0,1,0,0,0,0|3,0,0]=4 2123 B12R1.1 OCCCSc1cnc(cn1)F 62a_100011215043_100009856528 [0,1,0,0,0,0|3,0,0]=4 2124 B12R1.1 OCCCSc1cnc(cn1)O 62a_100011215043_100015839800 [0,1,0,0,0,0|3,0,0]=4 2125 B12R1.1 OCCCSc1cnc(cn1)O 62a_100011934580_100011215043 [0,1,0,0,0,0|3,0,0]=4 2126 B12R1.1 OCCCSc1ncc(cn1)Br 62a_100000690281_100011215043 [0,1,0,0,0,0|3,0,0]=4 2127 B12R1.1 OCCCSc1ncc(cn1)Br 62a_100011215043_100000690281 [0,1,0,0,0,0|3,0,0]=4 2128 B12R1.1 OCCCSc1ncc(cn1)Cl 62a_100011215043_100011356929 [0,1,0,0,0,0|3,0,0]=4 2129 B12R1.1 OCCCSc1ncc(cn1)Cl 62a_100011356929_100011215043 [0,1,0,0,0,0|3,0,0]=4 2130 B12R1.1 OCCCSc1ncc(cn1)F 62a_100000685220_100011215043 [0,1,0,0,0,0|3,0,0]=4 2131 B12R1.1 OCCCSc1ncc(cn1)F 62a_100011215043_100000685220 [0,1,0,0,0,0|3,0,0]=4 2132 B12R1.1 OCCCSc1ncc(cn1)O 62a_100000730009_100011215043 [0,1,0,0,0,0|3,0,0]=4 2133 B12R1.1 OCCCSc1ncc(cn1)O 62a_100011215043_100000092845 [0,1,0,0,0,0|3,0,0]=4 2134 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,1,0,0,0,0|3,0,0]=4 2135 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,1,0,0,0,0|3,0,0]=4 2136 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,1,0,0,0,0|3,0,0]=4 2137 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,1,0,0,0,0|3,0,0]=4 2138 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,1,0,0,0,0|3,0,0]=4 2139 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,1,0,0,0,0|3,0,0]=4 2140 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,1,0,0,0,0|3,0,0]=4 2141 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,1,0,0,0,0|3,0,0]=4 2142 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,1,0,0,0,0|3,0,0]=4 2143 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,1,0,0,0,0|3,0,0]=4 2144 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,1,0,0,0,0|3,0,0]=4 2145 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,1,0,0,0,0|3,0,0]=4 2146 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,1,0,0,0,0|3,0,0]=4 2147 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,1,0,0,0,0|3,0,0]=4 2148 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,1,0,0,0,0|3,0,0]=4 2149 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,1,0,0,0,0|3,0,0]=4 2150 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,1,0,0,0,0|3,0,0]=4 2151 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,1,0,0,0,0|3,0,0]=4 2152 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,1,0,0,0,0|3,0,0]=4 2153 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,1,0,0,0,0|3,0,0]=4 2154 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,1,0,0,0,0|3,0,0]=4 2155 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,1,0,0,0,0|3,0,0]=4 2156 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,1,0,0,0,0|3,0,0]=4 2157 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,1,0,0,0,0|3,0,0]=4 2158 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,1,0,0,0,0|3,0,0]=4 2159 B12R1.1 OCCNCc1ccc(cn1)Br 207a_100000210304_100000754260 [0,1,0,0,0,0|2,0,0]=3 2160 B12R1.1 OCCNCc1ccc(cn1)Br 2230a_100016997473_100000702658 [0,1,0,0,0,0|2,0,0]=3 2161 B12R1.1 OCCNCc1ccc(cn1)Br 270004a_100000210304_100000754260 [0,1,0,0,0,0|2,0,0]=3 2162 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100015188789_100000211926 [0,1,0,0,0,0|2,0,0]=3 2163 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100016990907_100000702658 [0,1,0,0,0,0|2,0,0]=3 2164 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [0,1,0,0,0,0|2,0,0]=3 2165 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [0,1,0,0,0,0|2,0,0]=3 2166 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [0,1,0,0,0,0|2,0,0]=3 2167 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [0,1,0,0,0,0|2,0,0]=3 2168 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [0,1,0,0,0,0|2,0,0]=3 2169 B12R1.1 OCCNCc1ccc(cn1)F 207a_100000210304_100011934744 [0,1,0,0,0,0|2,0,0]=3 2170 B12R1.1 OCCNCc1ccc(cn1)F 2230a_100016997473_100000703193 [0,1,0,0,0,0|2,0,0]=3 2171 B12R1.1 OCCNCc1ccc(cn1)F 270004a_100000210304_100011934744 [0,1,0,0,0,0|2,0,0]=3 2172 B12R1.1 OCCNCc1ccc(cn1)F 34a_100016990907_100000703193 [0,1,0,0,0,0|2,0,0]=3 2173 B12R1.1 OCCNCc1ccc(cn1)F 34a_100020620131_100000211926 [0,1,0,0,0,0|2,0,0]=3 2174 B12R1.1 OCCNCc1ccc(nn1)Cl 2230a_100016997473_100016992710 [0,1,0,0,0,0|3,0,0]=4 2175 B12R1.1 OCCNCc1ccc(nn1)Cl 270004a_100000210304_100000044651 [0,1,0,0,0,0|3,0,0]=4 2176 B12R1.1 OCCNCc1ccc(nn1)Cl 34a_100016990907_100016992710 [0,1,0,0,0,0|3,0,0]=4 2177 B12R1.1 OCCNCc1cnc(cn1)Cl 270004a_100000210304_100012001714 [0,1,0,0,0,0|3,0,0]=4 2178 B12R1.1 OCCNCc1ncc(cn1)Br 34a_100016990907_100010064664 [0,1,0,0,0,0|3,0,0]=4 2179 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,1,0,0,0,0|3,0,0]=4 2180 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,1,0,0,0,0|3,0,0]=4 2181 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,1,0,0,0,0|3,0,0]=4 2182 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,1,0,0,0,0|3,0,0]=4 2183 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,1,0,0,0,0|3,0,0]=4 2184 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,1,0,0,0,0|3,0,0]=4 2185 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,1,0,0,0,0|3,0,0]=4 2186 B12R1.1 OCCOCc1ccc(cn1)Br 34a_100000754261_100000211926 [0,1,0,0,0,0|2,0,0]=3 2187 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [0,1,0,0,0,0|2,0,0]=3 2188 B12R1.1 OCCOCc1ccc(cn1)F 34a_100011999454_100000211926 [0,1,0,0,0,0|2,0,0]=3 2189 B12R1.1 OCCOCc1cnc(cn1)Cl 34a_100012002382_100000211926 [0,1,0,0,0,0|3,0,0]=4 2190 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [0,1,0,0,0,0|3,0,0]=4 2191 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [0,1,0,0,0,0|3,0,0]=4 2192 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [0,1,0,0,0,0|3,0,0]=4 2193 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [0,1,0,0,0,0|3,0,0]=4 2194 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [0,1,0,0,0,0|3,0,0]=4 2195 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [0,1,0,0,0,0|3,0,0]=4 2196 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [0,1,0,0,0,0|3,0,0]=4 2197 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [0,1,0,0,0,0|3,0,0]=4 2198 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000211926_100000702658 [0,1,0,0,0,0|2,0,0]=3 2199 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000702658_100000211926 [0,1,0,0,0,0|2,0,0]=3 2200 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [0,1,0,0,0,0|2,0,0]=3 2201 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [0,1,0,0,0,0|2,0,0]=3 2202 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000211926_100000703193 [0,1,0,0,0,0|2,0,0]=3 2203 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000703193_100000211926 [0,1,0,0,0,0|2,0,0]=3 2204 B12R1.1 OCCSCc1ccc(nn1)Cl 62a_100000211926_100016992710 [0,1,0,0,0,0|3,0,0]=4 2205 B12R1.1 OCCSCc1ccc(nn1)Cl 62a_100016992710_100000211926 [0,1,0,0,0,0|3,0,0]=4 2206 B12R1.1 OCCSCc1ncc(cn1)Br 62a_100000211926_100010064664 [0,1,0,0,0,0|3,0,0]=4 2207 B12R1.1 OCCSCc1ncc(cn1)Br 62a_100010064664_100000211926 [0,1,0,0,0,0|3,0,0]=4 2208 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,1,0,0,0,0|3,0,0]=4 2209 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [0,1,0,0,0,0|3,0,0]=4 2210 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [0,1,0,0,0,0|3,0,0]=4 2211 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,1,0,0,0,0|3,0,0]=4 2212 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [0,1,0,0,0,0|3,0,0]=4 2213 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [0,1,0,0,0,0|3,0,0]=4 2214 B12R1.1 Oc1ccc(nc1)SCCCF 62a_100000685995_100011934791 [0,1,0,0,0,0|2,0,0]=3 2215 B12R1.1 Oc1ccc(nc1)SCCCF 62a_100011934791_100000744096 [0,1,0,0,0,0|2,0,0]=3 2216 B12R1.1 Oc1cnc(cn1)SCCCF 62a_100011934580_100011934791 [0,1,0,0,0,0|3,0,0]=4 2217 B12R1.1 Oc1cnc(cn1)SCCCF 62a_100011934791_100015839800 [0,1,0,0,0,0|3,0,0]=4 2218 B12R1.1 Oc1cnc(nc1)SCCCF 62a_100000730009_100011934791 [0,1,0,0,0,0|3,0,0]=4 2219 B12R1.1 Oc1cnc(nc1)SCCCF 62a_100011934791_100000092845 [0,1,0,0,0,0|3,0,0]=4 2220 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,1,0,0,0,0|2,0,0]=3 2221 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,1,0,0,0,0|2,0,0]=3 2222 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,1,0,0,0,0|2,0,0]=3 2223 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,1,0,0,0,0|2,0,0]=3 2224 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,1,0,0,0,0|2,0,0]=3 2225 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,1,0,0,0,0|2,0,0]=3 2226 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,1,0,0,0,0|3,0,0]=4 2227 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,1,0,0,0,0|3,0,0]=4 2228 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,1,0,0,0,0|3,0,0]=4 2229 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,1,0,0,0,0|3,0,0]=4 2230 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,1,0,0,0,0|3,0,0]=4 2231 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,1,0,0,0,0|3,0,0]=4 2232 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [0,1,0,0,0,0|3,0,0]=4 2233 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [0,1,0,0,0,0|3,0,0]=4 2234 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,1,0,0,0,0|2,0,0]=3 2235 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,1,0,0,0,0|2,0,0]=3 2236 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,1,0,0,0,0|2,0,0]=3 2237 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,1,0,0,0,0|2,0,0]=3 2238 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,1,0,0,0,0|2,0,0]=3 2239 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,1,0,0,0,0|2,0,0]=3 2240 B12R1.1 [13CH3]OCCNc1ccc(nn1)Cl 34a_100000767036_200025704644 [0,1,0,0,0,0|3,0,0]=4 2241 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,1,0,0,0,0|3,0,0]=4 2242 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,1,0,0,0,0|3,0,0]=4 2243 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,1,0,0,0,0|3,0,0]=4 2244 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,1,0,0,0,0|3,0,0]=4 2245 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,1,0,0,0,0|3,0,0]=4 2246 B12R1.1 [13CH3]OCCOc1ccc(cn1)N 34a_100102662783_200025704644 [0,1,0,0,0,0|2,0,0]=3 2247 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [0,1,0,0,0,0|3,0,0]=4 2248 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [0,1,0,0,0,0|3,0,0]=4 2249 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [0,1,0,0,0,0|3,0,0]=4 2250 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [0,1,0,0,0,0|3,0,0]=4 2251 B12R1.1 [13CH3]OCCSc1ccc(nn1)Cl 7a_100000215309_200025704644 [0,1,0,0,0,0|3,0,0]=4 2252 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,1,0,0,0,0|2,0,0]=3 2253 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,1,0,0,0,0|2,0,0]=3 2254 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,1,0,0,0,0|2,0,0]=3 2255 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,1,0,0,0,0|2,0,0]=3 2256 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,1,0,0,0,0|2,0,0]=3 2257 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,1,0,0,0,0|2,0,0]=3 2258 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,1,0,0,0,0|3,0,0]=4 2259 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,1,0,0,0,0|3,0,0]=4 2260 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,1,0,0,0,0|3,0,0]=4 2261 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,1,0,0,0,0|3,0,0]=4 2262 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,1,0,0,0,0|3,0,0]=4 2263 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,1,0,0,0,0|3,0,0]=4 2264 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,1,0,0,0,0|2,0,0]=3 2265 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,1,0,0,0,0|1,0,0]=2 2266 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,1,0,0,0,0|3,0,0]=4 2267 B12R1.8 BrCCCOCc1cccnn1 34a_100011217188_100016990269 [0,1,0,0,0,0|2,0,0]=3 2268 B12R1.8 BrCCCOCc1cnccn1 34a_100011217188_100016995436 [0,1,0,0,0,0|2,0,0]=3 2269 B12R1.8 BrCCCOCc1ncccn1 34a_100011217188_100000703007 [0,1,0,0,0,0|2,0,0]=3 2270 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,1,0,0,0,0|2,0,0]=3 2271 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [0,1,0,0,0,0|1,0,2]=4 2272 B12R1.8 C#CCCCNc1cccnn1 27a_100000718082_100016991348 [0,1,0,0,0,0|1,0,2]=4 2273 B12R1.8 C#CCCCNc1ccncn1 27a_100000718082_100000703185 [0,1,0,0,0,0|1,0,2]=4 2274 B12R1.8 C#CCCCNc1cnccn1 27a_100000718082_100000211759 [0,1,0,0,0,0|1,0,2]=4 2275 B12R1.8 C#CCCCNc1ncccn1 27a_100000718082_100000211032 [0,1,0,0,0,0|1,0,2]=4 2276 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [0,1,0,0,0,0|1,0,2]=4 2277 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [0,1,0,0,0,0|1,0,2]=4 2278 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [0,1,0,0,0,0|1,0,2]=4 2279 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [0,1,0,0,0,0|1,0,2]=4 2280 B12R1.8 C#CCCCSc1ccccn1 62a_100011215417_100011216584 [0,1,0,0,0,0|0,0,2]=3 2281 B12R1.8 C#CCCCSc1ccccn1 62a_100011216584_100011215417 [0,1,0,0,0,0|0,0,2]=3 2282 B12R1.8 C#CCCCSc1cccnn1 62a_100011215417_100016991348 [0,1,0,0,0,0|1,0,2]=4 2283 B12R1.8 C#CCCCSc1cccnn1 62a_100016991348_100011215417 [0,1,0,0,0,0|1,0,2]=4 2284 B12R1.8 C#CCCCSc1ccncn1 62a_100000703185_100011215417 [0,1,0,0,0,0|1,0,2]=4 2285 B12R1.8 C#CCCCSc1ccncn1 62a_100011215417_100000703185 [0,1,0,0,0,0|1,0,2]=4 2286 B12R1.8 C#CCCCSc1cnccn1 62a_100000211759_100011215417 [0,1,0,0,0,0|1,0,2]=4 2287 B12R1.8 C#CCCCSc1cnccn1 62a_100011215417_100000211759 [0,1,0,0,0,0|1,0,2]=4 2288 B12R1.8 C#CCCCSc1ncccn1 62a_100000211032_100011215417 [0,1,0,0,0,0|1,0,2]=4 2289 B12R1.8 C#CCCCSc1ncccn1 62a_100011215417_100000211032 [0,1,0,0,0,0|1,0,2]=4 2290 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,1,0,0,0,0|1,0,2]=4 2291 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,1,0,0,0,0|1,0,2]=4 2292 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,1,0,0,0,0|1,0,2]=4 2293 B12R1.8 C#CCCNCc1ccccn1 34a_100000755551_100000721315 [0,1,0,0,0,0|0,0,2]=3 2294 B12R1.8 C#CCCNCc1cccnn1 2230a_100159270163_100000688953 [0,1,0,0,0,0|1,0,2]=4 2295 B12R1.8 C#CCCNCc1cccnn1 34a_100000755551_100016990269 [0,1,0,0,0,0|1,0,2]=4 2296 B12R1.8 C#CCCNCc1cnccn1 34a_100000755551_100016995436 [0,1,0,0,0,0|1,0,2]=4 2297 B12R1.8 C#CCCNCc1ncccn1 34a_100000755551_100000703007 [0,1,0,0,0,0|1,0,2]=4 2298 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [0,1,0,0,0,0|1,0,2]=4 2299 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [0,1,0,0,0,0|1,0,2]=4 2300 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [0,1,0,0,0,0|1,0,2]=4 2301 B12R1.8 C#CCCOCc1ccccn1 34a_100011215631_100000721315 [0,1,0,0,0,0|0,0,2]=3 2302 B12R1.8 C#CCCOCc1cccnn1 34a_100011215631_100016990269 [0,1,0,0,0,0|1,0,2]=4 2303 B12R1.8 C#CCCOCc1cnccn1 34a_100011215631_100016995436 [0,1,0,0,0,0|1,0,2]=4 2304 B12R1.8 C#CCCOCc1ncccn1 34a_100011215631_100000703007 [0,1,0,0,0,0|1,0,2]=4 2305 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [0,1,0,0,0,0|1,0,2]=4 2306 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [0,1,0,0,0,0|1,0,2]=4 2307 B12R1.8 C#CCCSCc1ccccn1 62a_100000688953_100000721315 [0,1,0,0,0,0|0,0,2]=3 2308 B12R1.8 C#CCCSCc1ccccn1 62a_100000721315_100000688953 [0,1,0,0,0,0|0,0,2]=3 2309 B12R1.8 C#CCCSCc1cccnn1 62a_100000688953_100016990269 [0,1,0,0,0,0|1,0,2]=4 2310 B12R1.8 C#CCCSCc1cccnn1 62a_100016990269_100000688953 [0,1,0,0,0,0|1,0,2]=4 2311 B12R1.8 C#CCCSCc1cnccn1 62a_100000688953_100016995436 [0,1,0,0,0,0|1,0,2]=4 2312 B12R1.8 C#CCCSCc1cnccn1 62a_100016995436_100000688953 [0,1,0,0,0,0|1,0,2]=4 2313 B12R1.8 C#CCCSCc1ncccn1 62a_100000688953_100000703007 [0,1,0,0,0,0|1,0,2]=4 2314 B12R1.8 C#CCCSCc1ncccn1 62a_100000703007_100000688953 [0,1,0,0,0,0|1,0,2]=4 2315 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [0,1,0,0,0,0|1,0,2]=4 2316 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [0,1,0,0,0,0|1,0,2]=4 2317 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [0,1,0,0,0,0|1,0,2]=4 2318 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,1,0,0,0,0|1,0,2]=4 2319 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,1,0,0,0,0|1,0,2]=4 2320 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,1,0,0,0,0|1,0,2]=4 2321 B12R1.8 C#CCOCCc1ccccn1 34a_100000210271_100000184674 [0,1,0,0,0,0|0,0,2]=3 2322 B12R1.8 C#CCOCCc1cnccn1 34a_100011349526_100000184674 [0,1,0,0,0,0|1,0,2]=4 2323 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [0,1,0,0,0,0|1,0,2]=4 2324 B12R1.8 C#CCSCCc1ccccn1 62a_100000038162_100015183660 [0,1,0,0,0,0|0,0,2]=3 2325 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,1,0,0,0,0|1,0,2]=4 2326 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,1,0,0,0,0|1,0,2]=4 2327 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,1,0,0,0,0|1,0,2]=4 2328 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,1,0,0,0,0|1,0,2]=4 2329 B12R1.8 C/C=C/COCc1ccccn1 34a_100016270725_100000721315 [0,1,0,0,0,0|0,0,2]=3 2330 B12R1.8 C/C=C/COCc1cccnn1 34a_100016270725_100016990269 [0,1,0,0,0,0|1,0,2]=4 2331 B12R1.8 C/C=C/COCc1cnccn1 34a_100016270725_100016995436 [0,1,0,0,0,0|1,0,2]=4 2332 B12R1.8 C/C=C/COCc1ncccn1 34a_100016270725_100000703007 [0,1,0,0,0,0|1,0,2]=4 2333 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,1,0,0,0,0|1,0,2]=4 2334 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,1,0,0,0,0|1,0,2]=4 2335 B12R1.8 C/C=C/CSCc1ccccn1 62a_100000721315_100102629194 [0,1,0,0,0,0|0,0,2]=3 2336 B12R1.8 C/C=C/CSCc1ccccn1 62a_100102629194_100000721315 [0,1,0,0,0,0|0,0,2]=3 2337 B12R1.8 C/C=C/CSCc1cccnn1 62a_100016990269_100102629194 [0,1,0,0,0,0|1,0,2]=4 2338 B12R1.8 C/C=C/CSCc1cccnn1 62a_100102629194_100016990269 [0,1,0,0,0,0|1,0,2]=4 2339 B12R1.8 C/C=C/CSCc1cnccn1 62a_100016995436_100102629194 [0,1,0,0,0,0|1,0,2]=4 2340 B12R1.8 C/C=C/CSCc1cnccn1 62a_100102629194_100016995436 [0,1,0,0,0,0|1,0,2]=4 2341 B12R1.8 C/C=C/CSCc1ncccn1 62a_100000703007_100102629194 [0,1,0,0,0,0|1,0,2]=4 2342 B12R1.8 C/C=C/CSCc1ncccn1 62a_100102629194_100000703007 [0,1,0,0,0,0|1,0,2]=4 2343 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,1,0,0,0,0|1,0,2]=4 2344 B12R1.8 C=CCCCNc1cccnn1 27a_100000700776_100016991348 [0,1,0,0,0,0|1,0,2]=4 2345 B12R1.8 C=CCCCNc1ccncn1 27a_100000700776_100000703185 [0,1,0,0,0,0|1,0,2]=4 2346 B12R1.8 C=CCCCNc1cnccn1 27a_100000700776_100000211759 [0,1,0,0,0,0|1,0,2]=4 2347 B12R1.8 C=CCCCNc1ncccn1 27a_100000700776_100000211032 [0,1,0,0,0,0|1,0,2]=4 2348 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,1,0,0,0,0|1,0,2]=4 2349 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,1,0,0,0,0|1,0,2]=4 2350 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,1,0,0,0,0|1,0,2]=4 2351 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,1,0,0,0,0|1,0,2]=4 2352 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [0,1,0,0,0,0|0,0,2]=3 2353 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [0,1,0,0,0,0|0,0,2]=3 2354 B12R1.8 C=CCCCSc1cccnn1 62a_100011713584_100016991348 [0,1,0,0,0,0|1,0,2]=4 2355 B12R1.8 C=CCCCSc1cccnn1 62a_100016991348_100000757094 [0,1,0,0,0,0|1,0,2]=4 2356 B12R1.8 C=CCCCSc1ccncn1 62a_100000703185_100000757094 [0,1,0,0,0,0|1,0,2]=4 2357 B12R1.8 C=CCCCSc1ccncn1 62a_100011713584_100000703185 [0,1,0,0,0,0|1,0,2]=4 2358 B12R1.8 C=CCCCSc1cnccn1 62a_100000211759_100000757094 [0,1,0,0,0,0|1,0,2]=4 2359 B12R1.8 C=CCCCSc1cnccn1 62a_100011713584_100000211759 [0,1,0,0,0,0|1,0,2]=4 2360 B12R1.8 C=CCCCSc1ncccn1 62a_100000211032_100000757094 [0,1,0,0,0,0|1,0,2]=4 2361 B12R1.8 C=CCCCSc1ncccn1 62a_100011713584_100000211032 [0,1,0,0,0,0|1,0,2]=4 2362 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,1,0,0,0,0|1,0,2]=4 2363 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,1,0,0,0,0|1,0,2]=4 2364 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,1,0,0,0,0|1,0,2]=4 2365 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,1,0,0,0,0|1,0,2]=4 2366 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,1,0,0,0,0|1,0,2]=4 2367 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [0,1,0,0,0,0|0,0,2]=3 2368 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [0,1,0,0,0,0|0,0,2]=3 2369 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [0,1,0,0,0,0|0,0,2]=3 2370 B12R1.8 C=CCCNCc1cccnn1 2230a_100015191253_100016990269 [0,1,0,0,0,0|1,0,2]=4 2371 B12R1.8 C=CCCNCc1cccnn1 2230a_100159270163_100000754431 [0,1,0,0,0,0|1,0,2]=4 2372 B12R1.8 C=CCCNCc1cnccn1 2230a_100015191253_100016995436 [0,1,0,0,0,0|1,0,2]=4 2373 B12R1.8 C=CCCNCc1cnccn1 270004a_100015191253_100000749867 [0,1,0,0,0,0|1,0,2]=4 2374 B12R1.8 C=CCCNCc1ncccn1 2230a_100015191253_100000703007 [0,1,0,0,0,0|1,0,2]=4 2375 B12R1.8 C=CCCNCc1ncccn1 270004a_100015191253_100011532527 [0,1,0,0,0,0|1,0,2]=4 2376 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,1,0,0,0,0|1,0,2]=4 2377 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,1,0,0,0,0|1,0,2]=4 2378 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,1,0,0,0,0|1,0,2]=4 2379 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [0,1,0,0,0,0|0,0,2]=3 2380 B12R1.8 C=CCCOCc1cccnn1 34a_100011205117_100016990269 [0,1,0,0,0,0|1,0,2]=4 2381 B12R1.8 C=CCCOCc1cnccn1 34a_100011205117_100016995436 [0,1,0,0,0,0|1,0,2]=4 2382 B12R1.8 C=CCCOCc1ncccn1 34a_100011205117_100000703007 [0,1,0,0,0,0|1,0,2]=4 2383 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,1,0,0,0,0|1,0,2]=4 2384 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,1,0,0,0,0|1,0,2]=4 2385 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [0,1,0,0,0,0|0,0,2]=3 2386 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [0,1,0,0,0,0|0,0,2]=3 2387 B12R1.8 C=CCCSCc1cccnn1 62a_100000754431_100016990269 [0,1,0,0,0,0|1,0,2]=4 2388 B12R1.8 C=CCCSCc1cccnn1 62a_100016990269_100000754431 [0,1,0,0,0,0|1,0,2]=4 2389 B12R1.8 C=CCCSCc1cnccn1 62a_100000754431_100016995436 [0,1,0,0,0,0|1,0,2]=4 2390 B12R1.8 C=CCCSCc1cnccn1 62a_100016995436_100000754431 [0,1,0,0,0,0|1,0,2]=4 2391 B12R1.8 C=CCCSCc1ncccn1 62a_100000703007_100000754431 [0,1,0,0,0,0|1,0,2]=4 2392 B12R1.8 C=CCCSCc1ncccn1 62a_100000754431_100000703007 [0,1,0,0,0,0|1,0,2]=4 2393 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,1,0,0,0,0|1,0,2]=4 2394 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,1,0,0,0,0|1,0,2]=4 2395 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,1,0,0,0,0|1,0,2]=4 2396 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,1,0,0,0,0|0,0,2]=3 2397 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,1,0,0,0,0|1,0,2]=4 2398 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,1,0,0,0,0|1,0,2]=4 2399 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,1,0,0,0,0|1,0,2]=4 2400 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [0,1,0,0,0,0|0,0,2]=3 2401 B12R1.8 C=CCOCCc1cnccn1 34a_100011349526_100015514636 [0,1,0,0,0,0|1,0,2]=4 2402 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,1,0,0,0,0|1,0,2]=4 2403 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,1,0,0,0,0|1,0,2]=4 2404 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [0,1,0,0,0,0|0,0,2]=3 2405 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [0,1,0,0,0,0|0,0,2]=3 2406 B12R1.8 C=COCCSc1ccccn1 62a_100000039644_100011216584 [0,1,0,0,0,0|1,0,2]=4 2407 B12R1.8 C=COCCSc1ccccn1 62a_100011216584_100000039644 [0,1,0,0,0,0|1,0,2]=4 2408 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,1,0,0,0,0|1,0,2]=4 2409 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,1,0,0,0,0|1,0,2]=4 2410 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,1,0,0,0,0|1,0,2]=4 2411 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,1,0,0,0,0|1,0,2]=4 2412 B12R1.8 CC#CCNCc1ccccn1 2230a_100000685387_100000721315 [0,1,0,0,0,0|0,0,2]=3 2413 B12R1.8 CC#CCNCc1ccccn1 34a_100000685387_100000721315 [0,1,0,0,0,0|0,0,2]=3 2414 B12R1.8 CC#CCNCc1cccnn1 2230a_100000685387_100016990269 [0,1,0,0,0,0|1,0,2]=4 2415 B12R1.8 CC#CCNCc1cccnn1 2230a_100159270163_100000748600 [0,1,0,0,0,0|1,0,2]=4 2416 B12R1.8 CC#CCNCc1cccnn1 34a_100000685387_100016990269 [0,1,0,0,0,0|1,0,2]=4 2417 B12R1.8 CC#CCNCc1cnccn1 2230a_100000685387_100016995436 [0,1,0,0,0,0|1,0,2]=4 2418 B12R1.8 CC#CCNCc1cnccn1 34a_100000685387_100016995436 [0,1,0,0,0,0|1,0,2]=4 2419 B12R1.8 CC#CCNCc1ncccn1 2230a_100000685387_100000703007 [0,1,0,0,0,0|1,0,2]=4 2420 B12R1.8 CC#CCNCc1ncccn1 34a_100000685387_100000703007 [0,1,0,0,0,0|1,0,2]=4 2421 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,1,0,0,0,0|1,0,2]=4 2422 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,1,0,0,0,0|1,0,2]=4 2423 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,1,0,0,0,0|1,0,2]=4 2424 B12R1.8 CC#CCOCc1ccccn1 34a_100000761923_100000721315 [0,1,0,0,0,0|0,0,2]=3 2425 B12R1.8 CC#CCOCc1cccnn1 34a_100000761923_100016990269 [0,1,0,0,0,0|1,0,2]=4 2426 B12R1.8 CC#CCOCc1cnccn1 34a_100000761923_100016995436 [0,1,0,0,0,0|1,0,2]=4 2427 B12R1.8 CC#CCOCc1ncccn1 34a_100000761923_100000703007 [0,1,0,0,0,0|1,0,2]=4 2428 B12R1.8 CC#CCSCc1ccccc1 62a_100000211182_100000748600 [0,1,0,0,0,0|1,0,2]=4 2429 B12R1.8 CC#CCSCc1ccccc1 62a_100000748600_100015291786 [0,1,0,0,0,0|1,0,2]=4 2430 B12R1.8 CC#CCSCc1ccccn1 62a_100000721315_100000748600 [0,1,0,0,0,0|0,0,2]=3 2431 B12R1.8 CC#CCSCc1ccccn1 62a_100000748600_100000721315 [0,1,0,0,0,0|0,0,2]=3 2432 B12R1.8 CC#CCSCc1cccnn1 62a_100000748600_100016990269 [0,1,0,0,0,0|1,0,2]=4 2433 B12R1.8 CC#CCSCc1cccnn1 62a_100016990269_100000748600 [0,1,0,0,0,0|1,0,2]=4 2434 B12R1.8 CC#CCSCc1cnccn1 62a_100000748600_100016995436 [0,1,0,0,0,0|1,0,2]=4 2435 B12R1.8 CC#CCSCc1cnccn1 62a_100016995436_100000748600 [0,1,0,0,0,0|1,0,2]=4 2436 B12R1.8 CC#CCSCc1ncccn1 62a_100000703007_100000748600 [0,1,0,0,0,0|1,0,2]=4 2437 B12R1.8 CC#CCSCc1ncccn1 62a_100000748600_100000703007 [0,1,0,0,0,0|1,0,2]=4 2438 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,1,0,0,0,0|1,0,2]=4 2439 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,1,0,0,0,0|1,0,2]=4 2440 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,1,0,0,0,0|1,0,2]=4 2441 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,1,0,0,0,0|1,0,2]=4 2442 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,1,0,0,0,0|1,0,2]=4 2443 B12R1.8 CC/C=C\CSc1ccccn1 62a_100011216584_100103147603 [0,1,0,0,0,0|0,0,2]=3 2444 B12R1.8 CC/C=C\CSc1ccccn1 62a_100103147603_100011216584 [0,1,0,0,0,0|0,0,2]=3 2445 B12R1.8 CC/C=C\CSc1cccnn1 62a_100016991348_100103147603 [0,1,0,0,0,0|1,0,2]=4 2446 B12R1.8 CC/C=C\CSc1cccnn1 62a_100103147603_100016991348 [0,1,0,0,0,0|1,0,2]=4 2447 B12R1.8 CC/C=C\CSc1ccncn1 62a_100000703185_100103147603 [0,1,0,0,0,0|1,0,2]=4 2448 B12R1.8 CC/C=C\CSc1ccncn1 62a_100103147603_100000703185 [0,1,0,0,0,0|1,0,2]=4 2449 B12R1.8 CC/C=C\CSc1cnccn1 62a_100000211759_100103147603 [0,1,0,0,0,0|1,0,2]=4 2450 B12R1.8 CC/C=C\CSc1cnccn1 62a_100103147603_100000211759 [0,1,0,0,0,0|1,0,2]=4 2451 B12R1.8 CC/C=C\CSc1ncccn1 62a_100000211032_100103147603 [0,1,0,0,0,0|1,0,2]=4 2452 B12R1.8 CC/C=C\CSc1ncccn1 62a_100103147603_100000211032 [0,1,0,0,0,0|1,0,2]=4 2453 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,1,0,0,0,0|1,0,2]=4 2454 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,1,0,0,0,0|1,0,2]=4 2455 B12R1.8 CC=CCNCc1cccnn1 2230a_100159270163_100000070051 [0,1,0,0,0,0|1,0,2]=4 2456 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,1,0,0,0,0|1,0,2]=4 2457 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,1,0,0,0,0|1,0,2]=4 2458 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,1,0,0,0,0|1,0,2]=4 2459 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,1,0,0,0,0|1,0,2]=4 2460 B12R1.8 CC=CCSCc1ccccn1 62a_100000070051_100000721315 [0,1,0,0,0,0|0,0,2]=3 2461 B12R1.8 CC=CCSCc1ccccn1 62a_100000721315_100000070051 [0,1,0,0,0,0|0,0,2]=3 2462 B12R1.8 CC=CCSCc1cccnn1 62a_100000070051_100016990269 [0,1,0,0,0,0|1,0,2]=4 2463 B12R1.8 CC=CCSCc1cccnn1 62a_100016990269_100000070051 [0,1,0,0,0,0|1,0,2]=4 2464 B12R1.8 CC=CCSCc1cnccn1 62a_100000070051_100016995436 [0,1,0,0,0,0|1,0,2]=4 2465 B12R1.8 CC=CCSCc1cnccn1 62a_100016995436_100000070051 [0,1,0,0,0,0|1,0,2]=4 2466 B12R1.8 CC=CCSCc1ncccn1 62a_100000070051_100000703007 [0,1,0,0,0,0|1,0,2]=4 2467 B12R1.8 CC=CCSCc1ncccn1 62a_100000703007_100000070051 [0,1,0,0,0,0|1,0,2]=4 2468 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,1,0,0,0,0|2,0,1]=4 2469 B12R1.8 CCC#CCNc1ccccc1 34a_100000106764_100009813939 [0,1,0,0,0,0|1,0,2]=4 2470 B12R1.8 CCC#CCOc1ccccc1 34a_100000210340_100009813939 [0,1,0,0,0,0|1,0,2]=4 2471 B12R1.8 CCC#CCOc1ccccc1 7a_100000210340_100009813939 [0,1,0,0,0,0|1,0,2]=4 2472 B12R1.8 CCC#CCSc1ccccc1 62a_100000719477_100009813939 [0,1,0,0,0,0|1,0,2]=4 2473 B12R1.8 CCC#CCSc1ccccc1 62a_100009813939_100000041952 [0,1,0,0,0,0|1,0,2]=4 2474 B12R1.8 CCC#CCSc1ccccn1 62a_100009813939_100011216584 [0,1,0,0,0,0|0,0,2]=3 2475 B12R1.8 CCC#CCSc1ccccn1 62a_100011216584_100009813939 [0,1,0,0,0,0|0,0,2]=3 2476 B12R1.8 CCC#CCSc1cccnn1 62a_100009813939_100016991348 [0,1,0,0,0,0|1,0,2]=4 2477 B12R1.8 CCC#CCSc1cccnn1 62a_100016991348_100009813939 [0,1,0,0,0,0|1,0,2]=4 2478 B12R1.8 CCC#CCSc1ccncn1 62a_100000703185_100009813939 [0,1,0,0,0,0|1,0,2]=4 2479 B12R1.8 CCC#CCSc1ccncn1 62a_100009813939_100000703185 [0,1,0,0,0,0|1,0,2]=4 2480 B12R1.8 CCC#CCSc1cnccn1 62a_100000211759_100009813939 [0,1,0,0,0,0|1,0,2]=4 2481 B12R1.8 CCC#CCSc1cnccn1 62a_100009813939_100000211759 [0,1,0,0,0,0|1,0,2]=4 2482 B12R1.8 CCC#CCSc1ncccn1 62a_100000211032_100009813939 [0,1,0,0,0,0|1,0,2]=4 2483 B12R1.8 CCC#CCSc1ncccn1 62a_100009813939_100000211032 [0,1,0,0,0,0|1,0,2]=4 2484 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [0,1,0,0,0,0|2,0,1]=4 2485 B12R1.8 CCC=NNCc1ccccn1 4a_100000736832_100000210100 [0,1,0,0,0,0|1,0,1]=3 2486 B12R1.8 CCCC=NNc1ccccc1 4a_100015195140_100000185831 [0,1,0,0,0,0|2,0,1]=4 2487 B12R1.8 CCCC=NNc1ccccn1 4a_100000183288_100000185831 [0,1,0,0,0,0|1,0,1]=3 2488 B12R1.8 CCCC=NNc1cccnn1 4a_100000757824_100000185831 [0,1,0,0,0,0|2,0,1]=4 2489 B12R1.8 CCCC=NNc1ccncn1 4a_100011438088_100000185831 [0,1,0,0,0,0|2,0,1]=4 2490 B12R1.8 CCCC=NNc1cnccn1 4a_100000736894_100000185831 [0,1,0,0,0,0|2,0,1]=4 2491 B12R1.8 CCCC=NNc1ncccn1 4a_100000736892_100000185831 [0,1,0,0,0,0|2,0,1]=4 2492 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,1,0,0,0,0|1,0,1]=3 2493 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,1,0,0,0,0|0,0,1]=2 2494 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,1,0,0,0,0|2,0,1]=4 2495 B12R1.8 CCCCC=Cc1cccnn1 271570a_100016275911_100016991348 [0,1,0,0,0,0|1,0,1]=3 2496 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [0,1,0,0,0,0|2,0,1]=4 2497 B12R1.8 CCCCC=Cc1ccncn1 271570a_100016275911_100000703185 [0,1,0,0,0,0|1,0,1]=3 2498 B12R1.8 CCCCC=Cc1cnccn1 271570a_100016275911_100000758340 [0,1,0,0,0,0|1,0,1]=3 2499 B12R1.8 CCCCC=Cc1ncccn1 271570a_100016275911_100000211032 [0,1,0,0,0,0|1,0,1]=3 2500 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,1,0,0,0,0|1,0,0]=2 2501 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,1,0,0,0,0|1,0,0]=2 2502 B12R1.8 CCCCCNc1ccncn1 27a_100000209983_100000703185 [0,1,0,0,0,0|1,0,0]=2 2503 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,1,0,0,0,0|1,0,0]=2 2504 B12R1.8 CCCCCNc1ncccn1 27a_100000209983_100000211032 [0,1,0,0,0,0|1,0,0]=2 2505 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,1,0,0,0,0|1,0,0]=2 2506 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,1,0,0,0,0|1,0,0]=2 2507 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,1,0,0,0,0|2,0,0]=3 2508 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,1,0,0,0,0|2,0,0]=3 2509 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [0,1,0,0,0,0|2,0,0]=3 2510 B12R1.8 CCCCCOc1ccnnc1 34a_100015204005_100000718602 [0,1,0,0,0,0|3,0,0]=4 2511 B12R1.8 CCCCCOc1cncnc1 7a_100000754086_100000210326 [0,1,0,0,0,0|3,0,0]=4 2512 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,1,0,0,0,0|1,0,0]=2 2513 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,1,0,0,0,0|1,0,0]=2 2514 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,1,0,0,0,0|0,0,0]=1 2515 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,1,0,0,0,0|0,0,0]=1 2516 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,1,0,0,0,0|2,0,0]=3 2517 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,1,0,0,0,0|2,0,0]=3 2518 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,1,0,0,0,0|1,0,0]=2 2519 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,1,0,0,0,0|1,0,0]=2 2520 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [0,1,0,0,0,0|2,0,0]=3 2521 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [0,1,0,0,0,0|2,0,0]=3 2522 B12R1.8 CCCCCSc1ccncn1 62a_100000210326_100000703185 [0,1,0,0,0,0|1,0,0]=2 2523 B12R1.8 CCCCCSc1ccncn1 62a_100000703185_100000210326 [0,1,0,0,0,0|1,0,0]=2 2524 B12R1.8 CCCCCSc1ccnnc1 62a_100000210326_100000732662 [0,1,0,0,0,0|3,0,0]=4 2525 B12R1.8 CCCCCSc1ccnnc1 62a_100000732662_100000210326 [0,1,0,0,0,0|3,0,0]=4 2526 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,1,0,0,0,0|1,0,0]=2 2527 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,1,0,0,0,0|1,0,0]=2 2528 B12R1.8 CCCCCSc1cncnc1 62a_100000210326_100011206942 [0,1,0,0,0,0|3,0,0]=4 2529 B12R1.8 CCCCCSc1cncnc1 62a_100011206942_100000210326 [0,1,0,0,0,0|3,0,0]=4 2530 B12R1.8 CCCCCSc1ncccn1 62a_100000210326_100000211032 [0,1,0,0,0,0|1,0,0]=2 2531 B12R1.8 CCCCCSc1ncccn1 62a_100000211032_100000210326 [0,1,0,0,0,0|1,0,0]=2 2532 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,1,0,0,0,0|1,0,0]=2 2533 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,1,0,0,0,0|1,0,0]=2 2534 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,1,0,0,0,0|1,0,0]=2 2535 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,1,0,0,0,0|1,0,0]=2 2536 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,1,0,0,0,0|1,0,0]=2 2537 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,1,0,0,0,0|1,0,0]=2 2538 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,1,0,0,0,0|0,0,0]=1 2539 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,1,0,0,0,0|0,0,0]=1 2540 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,1,0,0,0,0|0,0,0]=1 2541 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,1,0,0,0,0|0,0,0]=1 2542 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,1,0,0,0,0|2,0,0]=3 2543 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,1,0,0,0,0|2,0,0]=3 2544 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,1,0,0,0,0|2,0,0]=3 2545 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,1,0,0,0,0|2,0,0]=3 2546 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,1,0,0,0,0|1,0,0]=2 2547 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,1,0,0,0,0|1,0,0]=2 2548 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,1,0,0,0,0|1,0,0]=2 2549 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,1,0,0,0,0|2,0,0]=3 2550 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,1,0,0,0,0|2,0,0]=3 2551 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,1,0,0,0,0|2,0,0]=3 2552 B12R1.8 CCCCNCc1ccnnc1 270004a_100000102301_100011934578 [0,1,0,0,0,0|3,0,0]=4 2553 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,1,0,0,0,0|1,0,0]=2 2554 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,1,0,0,0,0|1,0,0]=2 2555 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,1,0,0,0,0|1,0,0]=2 2556 B12R1.8 CCCCNCc1cncnc1 2230a_100000102301_100015196519 [0,1,0,0,0,0|3,0,0]=4 2557 B12R1.8 CCCCNCc1cncnc1 2230a_100011243677_100000210211 [0,1,0,0,0,0|3,0,0]=4 2558 B12R1.8 CCCCNCc1cncnc1 270004a_100000102301_100000749868 [0,1,0,0,0,0|3,0,0]=4 2559 B12R1.8 CCCCNCc1cncnc1 7a_106832991798_100015196519 [0,1,0,0,0,0|3,0,0]=4 2560 B12R1.8 CCCCNCc1ncccn1 2230a_100000102301_100000703007 [0,1,0,0,0,0|1,0,0]=2 2561 B12R1.8 CCCCNCc1ncccn1 270004a_100000102301_100011532527 [0,1,0,0,0,0|1,0,0]=2 2562 B12R1.8 CCCCNCc1ncccn1 7a_106832991798_100000703007 [0,1,0,0,0,0|1,0,0]=2 2563 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,1,0,0,0,0|1,0,0]=2 2564 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,1,0,0,0,0|1,0,0]=2 2565 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,1,0,0,0,0|1,0,0]=2 2566 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,1,0,0,0,0|1,0,0]=2 2567 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,1,0,0,0,0|0,0,0]=1 2568 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,1,0,0,0,0|0,0,0]=1 2569 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,1,0,0,0,0|2,0,0]=3 2570 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,1,0,0,0,0|2,0,0]=3 2571 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,1,0,0,0,0|1,0,0]=2 2572 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,1,0,0,0,0|1,0,0]=2 2573 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,1,0,0,0,0|2,0,0]=3 2574 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,1,0,0,0,0|1,0,0]=2 2575 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,1,0,0,0,0|1,0,0]=2 2576 B12R1.8 CCCCOCc1cncnc1 34a_100000210227_100015196519 [0,1,0,0,0,0|3,0,0]=4 2577 B12R1.8 CCCCOCc1cncnc1 7a_100000210227_100015196519 [0,1,0,0,0,0|3,0,0]=4 2578 B12R1.8 CCCCOCc1ncccn1 34a_100000210227_100000703007 [0,1,0,0,0,0|1,0,0]=2 2579 B12R1.8 CCCCOCc1ncccn1 7a_100000210227_100000703007 [0,1,0,0,0,0|1,0,0]=2 2580 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,1,0,0,0,0|1,0,0]=2 2581 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,1,0,0,0,0|1,0,0]=2 2582 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,1,0,0,0,0|0,0,0]=1 2583 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,1,0,0,0,0|0,0,0]=1 2584 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,1,0,0,0,0|2,0,0]=3 2585 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,1,0,0,0,0|2,0,0]=3 2586 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,1,0,0,0,0|1,0,0]=2 2587 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,1,0,0,0,0|1,0,0]=2 2588 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [0,1,0,0,0,0|2,0,0]=3 2589 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [0,1,0,0,0,0|2,0,0]=3 2590 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,1,0,0,0,0|1,0,0]=2 2591 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,1,0,0,0,0|1,0,0]=2 2592 B12R1.8 CCCCSCc1cncnc1 62a_100000210211_100015196519 [0,1,0,0,0,0|3,0,0]=4 2593 B12R1.8 CCCCSCc1cncnc1 62a_100015196519_100000210210 [0,1,0,0,0,0|3,0,0]=4 2594 B12R1.8 CCCCSCc1ncccn1 62a_100000210211_100000703007 [0,1,0,0,0,0|1,0,0]=2 2595 B12R1.8 CCCCSCc1ncccn1 62a_100000703007_100000210210 [0,1,0,0,0,0|1,0,0]=2 2596 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,1,0,0,0,0|1,0,0]=2 2597 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,1,0,0,0,0|1,0,0]=2 2598 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,1,0,0,0,0|2,0,0]=3 2599 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [0,1,0,0,0,0|2,0,1]=4 2600 B12R1.8 CCCNN=Cc1ccccn1 4a_100000740057_100000209966 [0,1,0,0,0,0|1,0,1]=3 2601 B12R1.8 CCCNN=Cc1ccncn1 4a_100000740057_100011744739 [0,1,0,0,0,0|2,0,1]=4 2602 B12R1.8 CCCNN=Cc1cnccn1 4a_100000740057_100000749867 [0,1,0,0,0,0|2,0,1]=4 2603 B12R1.8 CCCNN=Cc1ncccn1 4a_100000740057_100011532527 [0,1,0,0,0,0|2,0,1]=4 2604 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,1,0,0,0,0|1,0,0]=2 2605 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,1,0,0,0,0|1,0,0]=2 2606 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,1,0,0,0,0|1,0,0]=2 2607 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,1,0,0,0,0|0,0,0]=1 2608 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,1,0,0,0,0|2,0,0]=3 2609 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,1,0,0,0,0|2,0,0]=3 2610 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,1,0,0,0,0|1,0,0]=2 2611 B12R1.8 CCCOCCc1cncnc1 34a_100011709255_100000210303 [0,1,0,0,0,0|3,0,0]=4 2612 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,1,0,0,0,0|1,0,0]=2 2613 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,1,0,0,0,0|1,0,0]=2 2614 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,1,0,0,0,0|0,0,0]=1 2615 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,1,0,0,0,0|0,0,0]=1 2616 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,1,0,0,0,0|2,0,0]=3 2617 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,1,0,0,0,0|2,0,0]=3 2618 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [0,1,0,0,0,0|2,0,0]=3 2619 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [0,1,0,0,0,0|2,0,0]=3 2620 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,1,0,0,0,0|2,0,0]=3 2621 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,1,0,0,0,0|2,0,0]=3 2622 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,1,0,0,0,0|1,0,2]=4 2623 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,1,0,0,0,0|1,0,2]=4 2624 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,1,0,0,0,0|1,0,2]=4 2625 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [0,1,0,0,0,0|1,0,2]=4 2626 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [0,1,0,0,0,0|1,0,2]=4 2627 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,1,0,0,0,0|1,0,2]=4 2628 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,1,0,0,0,0|1,0,0]=2 2629 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,1,0,0,0,0|1,0,0]=2 2630 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,1,0,0,0,0|1,0,0]=2 2631 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,1,0,0,0,0|2,0,0]=3 2632 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,1,0,0,0,0|2,0,0]=3 2633 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,1,0,0,0,0|2,0,0]=3 2634 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,1,0,0,0,0|2,0,0]=3 2635 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,1,0,0,0,0|2,0,0]=3 2636 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,1,0,0,0,0|2,0,0]=3 2637 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,1,0,0,0,0|2,0,0]=3 2638 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,1,0,0,0,0|1,0,0]=2 2639 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,1,0,0,0,0|3,0,0]=4 2640 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,1,0,0,0,0|2,0,0]=3 2641 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,1,0,0,0,0|2,0,0]=3 2642 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,1,0,0,0,0|2,0,0]=3 2643 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,1,0,0,0,0|2,0,0]=3 2644 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [0,1,0,0,0,0|2,0,1]=4 2645 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,1,0,0,0,0|1,0,2]=4 2646 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,1,0,0,0,0|1,0,2]=4 2647 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [0,1,0,0,0,0|1,0,2]=4 2648 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [0,1,0,0,0,0|1,0,2]=4 2649 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [0,1,0,0,0,0|1,0,2]=4 2650 B12R1.8 CCOCC#Cc1ccccn1 34a_100011894333_100000210202 [0,1,0,0,0,0|0,0,2]=3 2651 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,1,0,0,0,0|1,0,1]=3 2652 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,1,0,0,0,0|1,0,0]=2 2653 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,1,0,0,0,0|1,0,0]=2 2654 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,1,0,0,0,0|1,0,0]=2 2655 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,1,0,0,0,0|0,0,0]=1 2656 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,1,0,0,0,0|2,0,0]=3 2657 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [0,1,0,0,0,0|2,0,0]=3 2658 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,1,0,0,0,0|2,0,0]=3 2659 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,1,0,0,0,0|2,0,0]=3 2660 B12R1.8 CCOCCNc1cccnn1 27a_100011200944_100016991348 [0,1,0,0,0,0|2,0,0]=3 2661 B12R1.8 CCOCCNc1ccncc1 34a_200011243140_100000210202 [0,1,0,0,0,0|3,0,0]=4 2662 B12R1.8 CCOCCNc1ccncn1 27a_100011200944_100000703185 [0,1,0,0,0,0|2,0,0]=3 2663 B12R1.8 CCOCCNc1cnccn1 27a_100011200944_100000211759 [0,1,0,0,0,0|2,0,0]=3 2664 B12R1.8 CCOCCNc1ncccn1 27a_100011200944_100000211032 [0,1,0,0,0,0|2,0,0]=3 2665 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,1,0,0,0,0|2,0,0]=3 2666 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,1,0,0,0,0|2,0,0]=3 2667 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,1,0,0,0,0|2,0,0]=3 2668 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,1,0,0,0,0|2,0,0]=3 2669 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,1,0,0,0,0|2,0,0]=3 2670 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,1,0,0,0,0|3,0,0]=4 2671 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,1,0,0,0,0|3,0,0]=4 2672 B12R1.8 CCOCCOc1ccncc1 34a_100000212176_100000210147 [0,1,0,0,0,0|3,0,0]=4 2673 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,1,0,0,0,0|2,0,0]=3 2674 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,1,0,0,0,0|2,0,0]=3 2675 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,1,0,0,0,0|2,0,0]=3 2676 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,1,0,0,0,0|2,0,0]=3 2677 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,1,0,0,0,0|1,0,0]=2 2678 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,1,0,0,0,0|1,0,0]=2 2679 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,1,0,0,0,0|1,0,0]=2 2680 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,1,0,0,0,0|3,0,0]=4 2681 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,1,0,0,0,0|3,0,0]=4 2682 B12R1.8 CCOCCSc1cccnn1 62a_100000210147_100016991348 [0,1,0,0,0,0|2,0,0]=3 2683 B12R1.8 CCOCCSc1cccnn1 62a_100016991348_100011215890 [0,1,0,0,0,0|2,0,0]=3 2684 B12R1.8 CCOCCSc1ccncc1 62a_100000210147_100000728582 [0,1,0,0,0,0|3,0,0]=4 2685 B12R1.8 CCOCCSc1ccncc1 62a_100000728582_100011215890 [0,1,0,0,0,0|3,0,0]=4 2686 B12R1.8 CCOCCSc1ccncn1 62a_100000210147_100000703185 [0,1,0,0,0,0|2,0,0]=3 2687 B12R1.8 CCOCCSc1ccncn1 62a_100000703185_100011215890 [0,1,0,0,0,0|2,0,0]=3 2688 B12R1.8 CCOCCSc1cnccn1 62a_100000210147_100000211759 [0,1,0,0,0,0|2,0,0]=3 2689 B12R1.8 CCOCCSc1cnccn1 62a_100000211759_100011215890 [0,1,0,0,0,0|2,0,0]=3 2690 B12R1.8 CCOCCSc1ncccn1 62a_100000210147_100000211032 [0,1,0,0,0,0|2,0,0]=3 2691 B12R1.8 CCOCCSc1ncccn1 62a_100000211032_100011215890 [0,1,0,0,0,0|2,0,0]=3 2692 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,1,0,0,0,0|2,0,0]=3 2693 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,1,0,0,0,0|2,0,0]=3 2694 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,1,0,0,0,0|2,0,0]=3 2695 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,1,0,0,0,0|2,0,0]=3 2696 B12R1.8 CCOCSCc1ccccn1 62a_100000721315_100000739092 [0,1,0,0,0,0|1,0,0]=2 2697 B12R1.8 CCOCSCc1ccccn1 62a_100000739092_100000721315 [0,1,0,0,0,0|1,0,0]=2 2698 B12R1.8 CCOCSCc1cccnc1 62a_100000739092_100000741622 [0,1,0,0,0,0|3,0,0]=4 2699 B12R1.8 CCOCSCc1cccnc1 62a_100000741622_100000739092 [0,1,0,0,0,0|3,0,0]=4 2700 B12R1.8 CCOCSCc1cccnn1 62a_100000739092_100016990269 [0,1,0,0,0,0|2,0,0]=3 2701 B12R1.8 CCOCSCc1cccnn1 62a_100016990269_100000739092 [0,1,0,0,0,0|2,0,0]=3 2702 B12R1.8 CCOCSCc1ccncc1 62a_100000739092_100015193705 [0,1,0,0,0,0|3,0,0]=4 2703 B12R1.8 CCOCSCc1ccncc1 62a_100015193705_100000739092 [0,1,0,0,0,0|3,0,0]=4 2704 B12R1.8 CCOCSCc1cnccn1 62a_100000739092_100016995436 [0,1,0,0,0,0|2,0,0]=3 2705 B12R1.8 CCOCSCc1cnccn1 62a_100016995436_100000739092 [0,1,0,0,0,0|2,0,0]=3 2706 B12R1.8 CCOCSCc1ncccn1 62a_100000703007_100000739092 [0,1,0,0,0,0|2,0,0]=3 2707 B12R1.8 CCOCSCc1ncccn1 62a_100000739092_100000703007 [0,1,0,0,0,0|2,0,0]=3 2708 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [0,1,0,0,0,0|1,0,2]=4 2709 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [0,1,0,0,0,0|1,0,2]=4 2710 B12R1.8 CCSCC#Cc1ccccc1 62a_100000210202_100011352542 [0,1,0,0,0,0|1,0,2]=4 2711 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,1,0,0,0,0|1,0,0]=2 2712 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,1,0,0,0,0|1,0,0]=2 2713 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,1,0,0,0,0|2,0,0]=3 2714 B12R1.8 CCSCCNc1cccnn1 27a_100000106463_100016991348 [0,1,0,0,0,0|2,0,0]=3 2715 B12R1.8 CCSCCNc1ccncn1 27a_100000106463_100000703185 [0,1,0,0,0,0|2,0,0]=3 2716 B12R1.8 CCSCCNc1cnccn1 27a_100000106463_100000211759 [0,1,0,0,0,0|2,0,0]=3 2717 B12R1.8 CCSCCNc1ncccn1 27a_100000106463_100000211032 [0,1,0,0,0,0|2,0,0]=3 2718 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,1,0,0,0,0|2,0,0]=3 2719 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,1,0,0,0,0|2,0,0]=3 2720 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,1,0,0,0,0|2,0,0]=3 2721 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,1,0,0,0,0|2,0,0]=3 2722 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,1,0,0,0,0|3,0,0]=4 2723 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,1,0,0,0,0|3,0,0]=4 2724 B12R1.8 CCSCCOc1ccncc1 34a_100000212176_100000757381 [0,1,0,0,0,0|3,0,0]=4 2725 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,1,0,0,0,0|2,0,0]=3 2726 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,1,0,0,0,0|2,0,0]=3 2727 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,1,0,0,0,0|2,0,0]=3 2728 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,1,0,0,0,0|2,0,0]=3 2729 B12R1.8 CCSCCSc1ccccn1 62a_100000757381_100011216584 [0,1,0,0,0,0|1,0,0]=2 2730 B12R1.8 CCSCCSc1ccccn1 62a_100011216584_100000757381 [0,1,0,0,0,0|1,0,0]=2 2731 B12R1.8 CCSCCSc1cccnc1 62a_100000210063_100000757381 [0,1,0,0,0,0|3,0,0]=4 2732 B12R1.8 CCSCCSc1cccnc1 62a_100000757381_100000210063 [0,1,0,0,0,0|3,0,0]=4 2733 B12R1.8 CCSCCSc1cccnn1 62a_100000757381_100016991348 [0,1,0,0,0,0|2,0,0]=3 2734 B12R1.8 CCSCCSc1cccnn1 62a_100016991348_100000757381 [0,1,0,0,0,0|2,0,0]=3 2735 B12R1.8 CCSCCSc1ccncc1 62a_100000728582_100000757381 [0,1,0,0,0,0|3,0,0]=4 2736 B12R1.8 CCSCCSc1ccncc1 62a_100000757381_100000728582 [0,1,0,0,0,0|3,0,0]=4 2737 B12R1.8 CCSCCSc1ccncn1 62a_100000703185_100000757381 [0,1,0,0,0,0|2,0,0]=3 2738 B12R1.8 CCSCCSc1ccncn1 62a_100000757381_100000703185 [0,1,0,0,0,0|2,0,0]=3 2739 B12R1.8 CCSCCSc1cnccn1 62a_100000211759_100000757381 [0,1,0,0,0,0|2,0,0]=3 2740 B12R1.8 CCSCCSc1cnccn1 62a_100000757381_100000211759 [0,1,0,0,0,0|2,0,0]=3 2741 B12R1.8 CCSCCSc1ncccn1 62a_100000211032_100000757381 [0,1,0,0,0,0|2,0,0]=3 2742 B12R1.8 CCSCCSc1ncccn1 62a_100000757381_100000211032 [0,1,0,0,0,0|2,0,0]=3 2743 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,1,0,0,0,0|2,0,0]=3 2744 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,1,0,0,0,0|2,0,0]=3 2745 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,1,0,0,0,0|2,0,0]=3 2746 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,1,0,0,0,0|2,0,0]=3 2747 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,1,0,0,0,0|1,0,0]=2 2748 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,1,0,0,0,0|1,0,0]=2 2749 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,1,0,0,0,0|1,0,0]=2 2750 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,1,0,0,0,0|1,0,0]=2 2751 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,1,0,0,0,0|1,0,0]=2 2752 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,1,0,0,0,0|2,0,0]=3 2753 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,1,0,0,0,0|2,0,0]=3 2754 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,1,0,0,0,0|2,0,0]=3 2755 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,1,0,0,0,0|2,0,0]=3 2756 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,1,0,0,0,0|2,0,0]=3 2757 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,1,0,0,0,0|2,0,0]=3 2758 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,1,0,0,0,0|2,0,0]=3 2759 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,1,0,0,0,0|2,0,0]=3 2760 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,1,0,0,0,0|2,0,0]=3 2761 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,1,0,0,0,0|2,0,0]=3 2762 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,1,0,0,0,0|2,0,0]=3 2763 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,1,0,0,0,0|2,0,0]=3 2764 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,1,0,0,0,0|2,0,0]=3 2765 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,1,0,0,0,0|2,0,0]=3 2766 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,1,0,0,0,0|2,0,0]=3 2767 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,1,0,0,0,0|2,0,0]=3 2768 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,1,0,0,0,0|2,0,0]=3 2769 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,1,0,0,0,0|2,0,0]=3 2770 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,1,0,0,0,0|2,0,0]=3 2771 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,1,0,0,0,0|2,0,0]=3 2772 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,1,0,0,0,0|2,0,0]=3 2773 B12R1.8 CNCCSSc1ccccn1 2230a_100016995281_200000210301 [0,1,0,0,0,0|2,0,0]=3 2774 B12R1.8 CNCCSSc1ccccn1 7a_100016995281_200000210301 [0,1,0,0,0,0|2,0,0]=3 2775 B12R1.8 COCCC#Cc1ccccc1 34a_100000760064_200000210301 [0,1,0,0,0,0|1,0,2]=4 2776 B12R1.8 COCCC#Cc1ccccc1 7a_100000760064_200000210301 [0,1,0,0,0,0|1,0,2]=4 2777 B12R1.8 COCCC#Cc1ccccn1 34a_200011894334_200000210301 [0,1,0,0,0,0|0,0,2]=3 2778 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,1,0,0,0,0|1,0,0]=2 2779 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,1,0,0,0,0|1,0,0]=2 2780 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,1,0,0,0,0|1,0,0]=2 2781 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,1,0,0,0,0|0,0,0]=1 2782 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,1,0,0,0,0|2,0,0]=3 2783 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,1,0,0,0,0|2,0,0]=3 2784 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,1,0,0,0,0|2,0,0]=3 2785 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,1,0,0,0,0|2,0,0]=3 2786 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,1,0,0,0,0|2,0,0]=3 2787 B12R1.8 COCCCNc1cccnn1 27a_100150723488_100016991348 [0,1,0,0,0,0|2,0,0]=3 2788 B12R1.8 COCCCNc1ccncn1 27a_100150723488_100000703185 [0,1,0,0,0,0|2,0,0]=3 2789 B12R1.8 COCCCNc1cnccn1 27a_100150723488_100000211759 [0,1,0,0,0,0|2,0,0]=3 2790 B12R1.8 COCCCNc1ncccn1 27a_100150723488_100000211032 [0,1,0,0,0,0|2,0,0]=3 2791 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,1,0,0,0,0|2,0,0]=3 2792 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,1,0,0,0,0|2,0,0]=3 2793 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,1,0,0,0,0|2,0,0]=3 2794 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,1,0,0,0,0|2,0,0]=3 2795 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,1,0,0,0,0|2,0,0]=3 2796 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,1,0,0,0,0|3,0,0]=4 2797 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,1,0,0,0,0|3,0,0]=4 2798 B12R1.8 COCCCOc1ccncc1 34a_100000212176_100000740836 [0,1,0,0,0,0|3,0,0]=4 2799 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,1,0,0,0,0|2,0,0]=3 2800 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,1,0,0,0,0|2,0,0]=3 2801 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,1,0,0,0,0|2,0,0]=3 2802 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,1,0,0,0,0|1,0,0]=2 2803 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,1,0,0,0,0|1,0,0]=2 2804 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,1,0,0,0,0|3,0,0]=4 2805 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,1,0,0,0,0|3,0,0]=4 2806 B12R1.8 COCCCSc1cccnn1 62a_100000709357_100016991348 [0,1,0,0,0,0|2,0,0]=3 2807 B12R1.8 COCCCSc1cccnn1 62a_100016991348_100000709357 [0,1,0,0,0,0|2,0,0]=3 2808 B12R1.8 COCCCSc1ccncc1 62a_100000709357_100000728582 [0,1,0,0,0,0|3,0,0]=4 2809 B12R1.8 COCCCSc1ccncc1 62a_100000728582_100000709357 [0,1,0,0,0,0|3,0,0]=4 2810 B12R1.8 COCCCSc1ccncn1 62a_100000703185_100000709357 [0,1,0,0,0,0|2,0,0]=3 2811 B12R1.8 COCCCSc1ccncn1 62a_100000709357_100000703185 [0,1,0,0,0,0|2,0,0]=3 2812 B12R1.8 COCCCSc1cnccn1 62a_100000211759_100000709357 [0,1,0,0,0,0|2,0,0]=3 2813 B12R1.8 COCCCSc1cnccn1 62a_100000709357_100000211759 [0,1,0,0,0,0|2,0,0]=3 2814 B12R1.8 COCCCSc1ncccn1 62a_100000211032_100000709357 [0,1,0,0,0,0|2,0,0]=3 2815 B12R1.8 COCCCSc1ncccn1 62a_100000709357_100000211032 [0,1,0,0,0,0|2,0,0]=3 2816 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,1,0,0,0,0|2,0,0]=3 2817 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,1,0,0,0,0|2,0,0]=3 2818 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,1,0,0,0,0|2,0,0]=3 2819 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,1,0,0,0,0|2,0,0]=3 2820 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,1,0,0,0,0|2,0,0]=3 2821 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,1,0,0,0,0|2,0,0]=3 2822 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,1,0,0,0,0|1,0,0]=2 2823 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,1,0,0,0,0|1,0,0]=2 2824 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,1,0,0,0,0|1,0,0]=2 2825 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,1,0,0,0,0|3,0,0]=4 2826 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,1,0,0,0,0|3,0,0]=4 2827 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,1,0,0,0,0|3,0,0]=4 2828 B12R1.8 COCCNCc1cccnn1 2230a_100000209980_100016990269 [0,1,0,0,0,0|2,0,0]=3 2829 B12R1.8 COCCNCc1cccnn1 2230a_100159270163_100011201679 [0,1,0,0,0,0|2,0,0]=3 2830 B12R1.8 COCCNCc1ccncc1 207a_100000209980_100000186114 [0,1,0,0,0,0|3,0,0]=4 2831 B12R1.8 COCCNCc1ccncc1 2230a_100000209980_100015193705 [0,1,0,0,0,0|3,0,0]=4 2832 B12R1.8 COCCNCc1cnccn1 2230a_100000209980_100016995436 [0,1,0,0,0,0|2,0,0]=3 2833 B12R1.8 COCCNCc1cnccn1 270004a_100000209980_100000749867 [0,1,0,0,0,0|2,0,0]=3 2834 B12R1.8 COCCNCc1ncccn1 2230a_100000209980_100000703007 [0,1,0,0,0,0|2,0,0]=3 2835 B12R1.8 COCCNCc1ncccn1 270004a_100000209980_100011532527 [0,1,0,0,0,0|2,0,0]=3 2836 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,1,0,0,0,0|2,0,0]=3 2837 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,1,0,0,0,0|2,0,0]=3 2838 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,1,0,0,0,0|2,0,0]=3 2839 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,1,0,0,0,0|2,0,0]=3 2840 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,1,0,0,0,0|2,0,0]=3 2841 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,1,0,0,0,0|2,0,0]=3 2842 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,1,0,0,0,0|1,0,0]=2 2843 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,1,0,0,0,0|3,0,0]=4 2844 B12R1.8 COCCOCc1cccnn1 34a_100000210237_100016990269 [0,1,0,0,0,0|2,0,0]=3 2845 B12R1.8 COCCOCc1cnccn1 34a_100000210237_100016995436 [0,1,0,0,0,0|2,0,0]=3 2846 B12R1.8 COCCOCc1ncccn1 34a_100000210237_100000703007 [0,1,0,0,0,0|2,0,0]=3 2847 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,1,0,0,0,0|2,0,0]=3 2848 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,1,0,0,0,0|2,0,0]=3 2849 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,1,0,0,0,0|2,0,0]=3 2850 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,1,0,0,0,0|2,0,0]=3 2851 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,1,0,0,0,0|2,0,0]=3 2852 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,1,0,0,0,0|1,0,0]=2 2853 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,1,0,0,0,0|1,0,0]=2 2854 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,1,0,0,0,0|3,0,0]=4 2855 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,1,0,0,0,0|3,0,0]=4 2856 B12R1.8 COCCSCc1cccnn1 62a_100000233755_100016990269 [0,1,0,0,0,0|2,0,0]=3 2857 B12R1.8 COCCSCc1cccnn1 62a_100016990269_100000233755 [0,1,0,0,0,0|2,0,0]=3 2858 B12R1.8 COCCSCc1ccncc1 62a_100000233755_100015193705 [0,1,0,0,0,0|3,0,0]=4 2859 B12R1.8 COCCSCc1ccncc1 62a_100015193705_100000233755 [0,1,0,0,0,0|3,0,0]=4 2860 B12R1.8 COCCSCc1cnccn1 62a_100000233755_100016995436 [0,1,0,0,0,0|2,0,0]=3 2861 B12R1.8 COCCSCc1cnccn1 62a_100016995436_100000233755 [0,1,0,0,0,0|2,0,0]=3 2862 B12R1.8 COCCSCc1ncccn1 62a_100000233755_100000703007 [0,1,0,0,0,0|2,0,0]=3 2863 B12R1.8 COCCSCc1ncccn1 62a_100000703007_100000233755 [0,1,0,0,0,0|2,0,0]=3 2864 B12R1.8 COCCSSc1ccccn1 7a_100009993218_200000210301 [0,1,0,0,0,0|2,0,0]=3 2865 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,1,0,0,0,0|2,0,0]=3 2866 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,1,0,0,0,0|3,0,0]=4 2867 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,1,0,0,0,0|2,0,0]=3 2868 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,1,0,0,0,0|2,0,0]=3 2869 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,1,0,0,0,0|1,0,0]=2 2870 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,1,0,0,0,0|1,0,0]=2 2871 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,1,0,0,0,0|3,0,0]=4 2872 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,1,0,0,0,0|3,0,0]=4 2873 B12R1.8 COCSCCc1ccncc1 62a_100000723409_100000766300 [0,1,0,0,0,0|3,0,0]=4 2874 B12R1.8 COCSCCc1ccncc1 62a_100000766300_100000723409 [0,1,0,0,0,0|3,0,0]=4 2875 B12R1.8 COCSCSc1ccccc1 62a_100000766300_100011218342 [0,1,0,0,0,0|3,0,0]=4 2876 B12R1.8 COCSCSc1ccccc1 62a_100011218342_100000766300 [0,1,0,0,0,0|3,0,0]=4 2877 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,1,0,0,0,0|1,0,0]=2 2878 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,1,0,0,0,0|1,0,0]=2 2879 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [0,1,0,0,0,0|2,0,0]=3 2880 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [0,1,0,0,0,0|2,0,0]=3 2881 B12R1.8 CSCCCNc1cccnn1 27a_100000749238_100016991348 [0,1,0,0,0,0|2,0,0]=3 2882 B12R1.8 CSCCCNc1ccncn1 27a_100000749238_100000703185 [0,1,0,0,0,0|2,0,0]=3 2883 B12R1.8 CSCCCNc1cnccn1 27a_100000749238_100000211759 [0,1,0,0,0,0|2,0,0]=3 2884 B12R1.8 CSCCCNc1ncccn1 27a_100000749238_100000211032 [0,1,0,0,0,0|2,0,0]=3 2885 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,1,0,0,0,0|2,0,0]=3 2886 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,1,0,0,0,0|2,0,0]=3 2887 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,1,0,0,0,0|2,0,0]=3 2888 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,1,0,0,0,0|2,0,0]=3 2889 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,1,0,0,0,0|2,0,0]=3 2890 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,1,0,0,0,0|2,0,0]=3 2891 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,1,0,0,0,0|2,0,0]=3 2892 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,1,0,0,0,0|2,0,0]=3 2893 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,1,0,0,0,0|2,0,0]=3 2894 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,1,0,0,0,0|1,0,0]=2 2895 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,1,0,0,0,0|1,0,0]=2 2896 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,1,0,0,0,0|1,0,0]=2 2897 B12R1.8 CSCCNCc1cccnc1 207a_100020590264_100000209961 [0,1,0,0,0,0|3,0,0]=4 2898 B12R1.8 CSCCNCc1cccnc1 2230a_100020590264_100000741622 [0,1,0,0,0,0|3,0,0]=4 2899 B12R1.8 CSCCNCc1cccnc1 270004a_100020590264_100000209961 [0,1,0,0,0,0|3,0,0]=4 2900 B12R1.8 CSCCNCc1cccnn1 2230a_100020590264_100016990269 [0,1,0,0,0,0|2,0,0]=3 2901 B12R1.8 CSCCNCc1cccnn1 2230a_100159270163_100000751147 [0,1,0,0,0,0|2,0,0]=3 2902 B12R1.8 CSCCNCc1ccncc1 207a_100020590264_100000186114 [0,1,0,0,0,0|3,0,0]=4 2903 B12R1.8 CSCCNCc1ccncc1 2230a_100020590264_100015193705 [0,1,0,0,0,0|3,0,0]=4 2904 B12R1.8 CSCCNCc1cnccn1 2230a_100020590264_100016995436 [0,1,0,0,0,0|2,0,0]=3 2905 B12R1.8 CSCCNCc1cnccn1 270004a_100020590264_100000749867 [0,1,0,0,0,0|2,0,0]=3 2906 B12R1.8 CSCCNCc1ncccn1 2230a_100020590264_100000703007 [0,1,0,0,0,0|2,0,0]=3 2907 B12R1.8 CSCCNCc1ncccn1 270004a_100020590264_100011532527 [0,1,0,0,0,0|2,0,0]=3 2908 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,1,0,0,0,0|2,0,0]=3 2909 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,1,0,0,0,0|2,0,0]=3 2910 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,1,0,0,0,0|2,0,0]=3 2911 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,1,0,0,0,0|2,0,0]=3 2912 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,1,0,0,0,0|2,0,0]=3 2913 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,1,0,0,0,0|2,0,0]=3 2914 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,1,0,0,0,0|1,0,0]=2 2915 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,1,0,0,0,0|1,0,0]=2 2916 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,1,0,0,0,0|3,0,0]=4 2917 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,1,0,0,0,0|3,0,0]=4 2918 B12R1.8 CSCCOCc1cccnn1 34a_100000230434_100016990269 [0,1,0,0,0,0|2,0,0]=3 2919 B12R1.8 CSCCOCc1cccnn1 7a_100000230434_100016990269 [0,1,0,0,0,0|2,0,0]=3 2920 B12R1.8 CSCCOCc1ccncc1 7a_100000230434_100015193705 [0,1,0,0,0,0|3,0,0]=4 2921 B12R1.8 CSCCOCc1cnccn1 34a_100000230434_100016995436 [0,1,0,0,0,0|2,0,0]=3 2922 B12R1.8 CSCCOCc1cnccn1 7a_100000230434_100016995436 [0,1,0,0,0,0|2,0,0]=3 2923 B12R1.8 CSCCOCc1ncccn1 34a_100000230434_100000703007 [0,1,0,0,0,0|2,0,0]=3 2924 B12R1.8 CSCCOCc1ncccn1 7a_100000230434_100000703007 [0,1,0,0,0,0|2,0,0]=3 2925 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,1,0,0,0,0|2,0,0]=3 2926 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,1,0,0,0,0|2,0,0]=3 2927 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,1,0,0,0,0|2,0,0]=3 2928 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,1,0,0,0,0|2,0,0]=3 2929 B12R1.8 CSCCSCc1ccccn1 62a_100000212216_100000721315 [0,1,0,0,0,0|1,0,0]=2 2930 B12R1.8 CSCCSCc1ccccn1 62a_100000721315_100000751147 [0,1,0,0,0,0|1,0,0]=2 2931 B12R1.8 CSCCSCc1cccnc1 62a_100000212216_100000741622 [0,1,0,0,0,0|3,0,0]=4 2932 B12R1.8 CSCCSCc1cccnc1 62a_100000741622_100000751147 [0,1,0,0,0,0|3,0,0]=4 2933 B12R1.8 CSCCSCc1cccnn1 62a_100000212216_100016990269 [0,1,0,0,0,0|2,0,0]=3 2934 B12R1.8 CSCCSCc1cccnn1 62a_100016990269_100000751147 [0,1,0,0,0,0|2,0,0]=3 2935 B12R1.8 CSCCSCc1ccncc1 62a_100000212216_100015193705 [0,1,0,0,0,0|3,0,0]=4 2936 B12R1.8 CSCCSCc1ccncc1 62a_100015193705_100000751147 [0,1,0,0,0,0|3,0,0]=4 2937 B12R1.8 CSCCSCc1cnccn1 62a_100000212216_100016995436 [0,1,0,0,0,0|2,0,0]=3 2938 B12R1.8 CSCCSCc1cnccn1 62a_100016995436_100000751147 [0,1,0,0,0,0|2,0,0]=3 2939 B12R1.8 CSCCSCc1ncccn1 62a_100000212216_100000703007 [0,1,0,0,0,0|2,0,0]=3 2940 B12R1.8 CSCCSCc1ncccn1 62a_100000703007_100000751147 [0,1,0,0,0,0|2,0,0]=3 2941 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,1,0,0,0,0|2,0,0]=3 2942 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,1,0,0,0,0|2,0,0]=3 2943 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,1,0,0,0,0|3,0,0]=4 2944 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,1,0,0,0,0|2,0,0]=3 2945 B12R1.8 CSCOCCc1ccccn1 34a_100000210271_100011218213 [0,1,0,0,0,0|1,0,0]=2 2946 B12R1.8 CSCOCCc1cccnc1 34a_100011217484_100011218213 [0,1,0,0,0,0|3,0,0]=4 2947 B12R1.8 CSCOCCc1ccncc1 34a_100011216225_100011218213 [0,1,0,0,0,0|3,0,0]=4 2948 B12R1.8 CSCOCCc1cnccn1 34a_100011349526_100011218213 [0,1,0,0,0,0|2,0,0]=3 2949 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,1,0,0,0,0|2,0,0]=3 2950 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,1,0,0,0,0|2,0,0]=3 2951 B12R1.8 CSCSCCc1ccccn1 62a_100011218213_100015183660 [0,1,0,0,0,0|1,0,0]=2 2952 B12R1.8 CSCSCCc1ccccn1 62a_100015183660_100011218213 [0,1,0,0,0,0|1,0,0]=2 2953 B12R1.8 CSCSCCc1cccnc1 62a_100011218213_200011713674 [0,1,0,0,0,0|3,0,0]=4 2954 B12R1.8 CSCSCCc1cccnc1 62a_200011713674_100011218213 [0,1,0,0,0,0|3,0,0]=4 2955 B12R1.8 CSCSCCc1ccncc1 62a_100000723409_100011218213 [0,1,0,0,0,0|3,0,0]=4 2956 B12R1.8 CSCSCCc1ccncc1 62a_100011218213_100000723409 [0,1,0,0,0,0|3,0,0]=4 2957 B12R1.8 CSCSCSc1ccccc1 62a_100011218213_100011218342 [0,1,0,0,0,0|3,0,0]=4 2958 B12R1.8 CSCSCSc1ccccc1 62a_100011218342_100011218213 [0,1,0,0,0,0|3,0,0]=4 2959 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,1,0,0,0,0|2,0,0]=3 2960 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,1,0,0,0,0|1,0,0]=2 2961 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,1,0,0,0,0|3,0,0]=4 2962 B12R1.8 ClCCCOCc1cccnn1 34a_100000230001_100016990269 [0,1,0,0,0,0|2,0,0]=3 2963 B12R1.8 ClCCCOCc1cnccn1 34a_100000230001_100016995436 [0,1,0,0,0,0|2,0,0]=3 2964 B12R1.8 ClCCCOCc1ncccn1 34a_100000230001_100000703007 [0,1,0,0,0,0|2,0,0]=3 2965 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,1,0,0,0,0|2,0,0]=3 2966 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,1,0,0,0,0|2,0,0]=3 2967 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,1,0,0,0,0|2,0,0]=3 2968 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,1,0,0,0,0|3,0,0]=4 2969 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,1,0,0,0,0|3,0,0]=4 2970 B12R1.8 FCCCCOc1ccncc1 34a_100000212176_100000729493 [0,1,0,0,0,0|3,0,0]=4 2971 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,1,0,0,0,0|2,0,0]=3 2972 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,1,0,0,0,0|2,0,0]=3 2973 B12R1.8 FCCCCSc1ccccn1 62a_100000729493_100011216584 [0,1,0,0,0,0|1,0,0]=2 2974 B12R1.8 FCCCCSc1ccccn1 62a_100011216584_100000729493 [0,1,0,0,0,0|1,0,0]=2 2975 B12R1.8 FCCCCSc1cccnc1 62a_100000210063_100000729493 [0,1,0,0,0,0|3,0,0]=4 2976 B12R1.8 FCCCCSc1cccnc1 62a_100000729493_100000210063 [0,1,0,0,0,0|3,0,0]=4 2977 B12R1.8 FCCCCSc1cccnn1 62a_100000729493_100016991348 [0,1,0,0,0,0|2,0,0]=3 2978 B12R1.8 FCCCCSc1cccnn1 62a_100016991348_100000729493 [0,1,0,0,0,0|2,0,0]=3 2979 B12R1.8 FCCCCSc1ccncc1 62a_100000728582_100000729493 [0,1,0,0,0,0|3,0,0]=4 2980 B12R1.8 FCCCCSc1ccncc1 62a_100000729493_100000728582 [0,1,0,0,0,0|3,0,0]=4 2981 B12R1.8 FCCCCSc1ccncn1 62a_100000703185_100000729493 [0,1,0,0,0,0|2,0,0]=3 2982 B12R1.8 FCCCCSc1ccncn1 62a_100000729493_100000703185 [0,1,0,0,0,0|2,0,0]=3 2983 B12R1.8 FCCCCSc1cnccn1 62a_100000211759_100000729493 [0,1,0,0,0,0|2,0,0]=3 2984 B12R1.8 FCCCCSc1cnccn1 62a_100000729493_100000211759 [0,1,0,0,0,0|2,0,0]=3 2985 B12R1.8 FCCCCSc1ncccn1 62a_100000211032_100000729493 [0,1,0,0,0,0|2,0,0]=3 2986 B12R1.8 FCCCCSc1ncccn1 62a_100000729493_100000211032 [0,1,0,0,0,0|2,0,0]=3 2987 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,1,0,0,0,0|2,0,0]=3 2988 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,1,0,0,0,0|2,0,0]=3 2989 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,1,0,0,0,0|2,0,0]=3 2990 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,1,0,0,0,0|2,0,0]=3 2991 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,1,0,0,0,0|2,0,0]=3 2992 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,1,0,0,0,0|2,0,0]=3 2993 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,1,0,0,0,0|1,0,0]=2 2994 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,1,0,0,0,0|1,0,0]=2 2995 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,1,0,0,0,0|1,0,0]=2 2996 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,1,0,0,0,0|1,0,0]=2 2997 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [0,1,0,0,0,0|3,0,0]=4 2998 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [0,1,0,0,0,0|3,0,0]=4 2999 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [0,1,0,0,0,0|3,0,0]=4 3000 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [0,1,0,0,0,0|3,0,0]=4 3001 B12R1.8 FCCCNCc1cccnn1 2230a_100015189416_100016990269 [0,1,0,0,0,0|2,0,0]=3 3002 B12R1.8 FCCCNCc1cccnn1 2230a_100159270163_100011934791 [0,1,0,0,0,0|2,0,0]=3 3003 B12R1.8 FCCCNCc1cccnn1 34a_100015189416_100016990269 [0,1,0,0,0,0|2,0,0]=3 3004 B12R1.8 FCCCNCc1ccncc1 207a_100015189416_100000186114 [0,1,0,0,0,0|3,0,0]=4 3005 B12R1.8 FCCCNCc1ccncc1 2230a_100015189416_100015193705 [0,1,0,0,0,0|3,0,0]=4 3006 B12R1.8 FCCCNCc1cnccn1 2230a_100015189416_100016995436 [0,1,0,0,0,0|2,0,0]=3 3007 B12R1.8 FCCCNCc1cnccn1 270004a_100015189416_100000749867 [0,1,0,0,0,0|2,0,0]=3 3008 B12R1.8 FCCCNCc1cnccn1 34a_100015189416_100016995436 [0,1,0,0,0,0|2,0,0]=3 3009 B12R1.8 FCCCNCc1ncccn1 2230a_100015189416_100000703007 [0,1,0,0,0,0|2,0,0]=3 3010 B12R1.8 FCCCNCc1ncccn1 270004a_100015189416_100011532527 [0,1,0,0,0,0|2,0,0]=3 3011 B12R1.8 FCCCNCc1ncccn1 34a_100015189416_100000703007 [0,1,0,0,0,0|2,0,0]=3 3012 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,1,0,0,0,0|2,0,0]=3 3013 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,1,0,0,0,0|2,0,0]=3 3014 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,1,0,0,0,0|2,0,0]=3 3015 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,1,0,0,0,0|1,0,0]=2 3016 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,1,0,0,0,0|3,0,0]=4 3017 B12R1.8 FCCCOCc1cccnn1 34a_100000759539_100016990269 [0,1,0,0,0,0|2,0,0]=3 3018 B12R1.8 FCCCOCc1cnccn1 34a_100000759539_100016995436 [0,1,0,0,0,0|2,0,0]=3 3019 B12R1.8 FCCCOCc1ncccn1 34a_100000759539_100000703007 [0,1,0,0,0,0|2,0,0]=3 3020 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,1,0,0,0,0|2,0,0]=3 3021 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,1,0,0,0,0|2,0,0]=3 3022 B12R1.8 FCCCSCc1ccccn1 62a_100000721315_100011934791 [0,1,0,0,0,0|1,0,0]=2 3023 B12R1.8 FCCCSCc1ccccn1 62a_100011934791_100000721315 [0,1,0,0,0,0|1,0,0]=2 3024 B12R1.8 FCCCSCc1cccnc1 62a_100000741622_100011934791 [0,1,0,0,0,0|3,0,0]=4 3025 B12R1.8 FCCCSCc1cccnc1 62a_100011934791_100000741622 [0,1,0,0,0,0|3,0,0]=4 3026 B12R1.8 FCCCSCc1cccnn1 62a_100011934791_100016990269 [0,1,0,0,0,0|2,0,0]=3 3027 B12R1.8 FCCCSCc1cccnn1 62a_100016990269_100011934791 [0,1,0,0,0,0|2,0,0]=3 3028 B12R1.8 FCCCSCc1ccncc1 62a_100011934791_100015193705 [0,1,0,0,0,0|3,0,0]=4 3029 B12R1.8 FCCCSCc1ccncc1 62a_100015193705_100011934791 [0,1,0,0,0,0|3,0,0]=4 3030 B12R1.8 FCCCSCc1cnccn1 62a_100011934791_100016995436 [0,1,0,0,0,0|2,0,0]=3 3031 B12R1.8 FCCCSCc1cnccn1 62a_100016995436_100011934791 [0,1,0,0,0,0|2,0,0]=3 3032 B12R1.8 FCCCSCc1ncccn1 62a_100000703007_100011934791 [0,1,0,0,0,0|2,0,0]=3 3033 B12R1.8 FCCCSCc1ncccn1 62a_100011934791_100000703007 [0,1,0,0,0,0|2,0,0]=3 3034 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,1,0,0,0,0|2,0,0]=3 3035 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,1,0,0,0,0|2,0,0]=3 3036 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,1,0,0,0,0|2,0,0]=3 3037 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,1,0,0,0,0|3,0,0]=4 3038 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,1,0,0,0,0|2,0,0]=3 3039 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,1,0,0,0,0|2,0,0]=3 3040 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,1,0,0,0,0|1,0,0]=2 3041 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,1,0,0,0,0|3,0,0]=4 3042 B12R1.8 FCCOCCc1ccncc1 34a_100011216225_100011217306 [0,1,0,0,0,0|3,0,0]=4 3043 B12R1.8 FCCOCCc1cnccn1 34a_100011349526_100011217306 [0,1,0,0,0,0|2,0,0]=3 3044 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,1,0,0,0,0|2,0,0]=3 3045 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,1,0,0,0,0|2,0,0]=3 3046 B12R1.8 FCCSCCc1ccccn1 62a_100011217306_100015183660 [0,1,0,0,0,0|1,0,0]=2 3047 B12R1.8 FCCSCCc1ccccn1 62a_100015183660_100011217306 [0,1,0,0,0,0|1,0,0]=2 3048 B12R1.8 FCCSCCc1cccnc1 62a_100011217306_200011713674 [0,1,0,0,0,0|3,0,0]=4 3049 B12R1.8 FCCSCCc1cccnc1 62a_200011713674_100011217306 [0,1,0,0,0,0|3,0,0]=4 3050 B12R1.8 FCCSCCc1ccncc1 62a_100000723409_100011217306 [0,1,0,0,0,0|3,0,0]=4 3051 B12R1.8 FCCSCCc1ccncc1 62a_100011217306_100000723409 [0,1,0,0,0,0|3,0,0]=4 3052 B12R1.8 FCCSCSc1ccccc1 62a_100011217306_100011218342 [0,1,0,0,0,0|3,0,0]=4 3053 B12R1.8 FCCSCSc1ccccc1 62a_100011218342_100011217306 [0,1,0,0,0,0|3,0,0]=4 3054 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,1,0,0,0,0|2,0,0]=3 3055 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,1,0,0,0,0|3,0,0]=4 3056 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,1,0,0,0,0|3,0,0]=4 3057 B12R1.8 FCOCC#Cc1ccccn1 34a_100011894333_100015361967 [0,1,0,0,0,0|1,0,2]=4 3058 B12R1.8 FCOCCCC1=CCC=CC1 34a_100020667889_100015361967 [0,1,0,0,0,0|2,0,1]=4 3059 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,1,0,0,0,0|2,0,0]=3 3060 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,1,0,0,0,0|2,0,0]=3 3061 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,1,0,0,0,0|1,0,0]=2 3062 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,1,0,0,0,0|3,0,0]=4 3063 B12R1.8 FCOCCCc1ccncc1 34a_100000210659_100015361967 [0,1,0,0,0,0|3,0,0]=4 3064 B12R1.8 FCOCCNc1ccccc1 34a_100000211345_100015361967 [0,1,0,0,0,0|3,0,0]=4 3065 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,1,0,0,0,0|3,0,0]=4 3066 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,1,0,0,0,0|3,0,0]=4 3067 B12R1.8 FCOCCSc1ccccc1 7a_100000230494_100015361967 [0,1,0,0,0,0|3,0,0]=4 3068 B12R1.8 FCOCCSc1ccccn1 7a_100000156319_100015361967 [0,1,0,0,0,0|2,0,0]=3 3069 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,1,0,0,0,0|2,0,0]=3 3070 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,1,0,0,0,0|2,0,0]=3 3071 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,1,0,0,0,0|3,0,0]=4 3072 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,1,0,0,0,0|3,0,0]=4 3073 B12R1.8 FCSCCSc1ccccc1 62a_100000246102_100015361967 [0,1,0,0,0,0|3,0,0]=4 3074 B12R1.8 FCSCCSc1ccccc1 62a_100015361967_100000246102 [0,1,0,0,0,0|3,0,0]=4 3075 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,1,0,0,0,0|3,0,0]=4 3076 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,1,0,0,0,0|3,0,0]=4 3077 B12R1.8 FCSCSCc1ccccc1 62a_100015361967_200011217039 [0,1,0,0,0,0|3,0,0]=4 3078 B12R1.8 FCSCSCc1ccccc1 62a_200011217039_100015361967 [0,1,0,0,0,0|3,0,0]=4 3079 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [0,1,0,0,0,0|2,0,1]=4 3080 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [0,1,0,0,0,0|2,0,1]=4 3081 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [0,1,0,0,0,0|2,0,1]=4 3082 B12R1.8 N#CCCCSc1ccccn1 62a_100000687738_100011216584 [0,1,0,0,0,0|1,0,1]=3 3083 B12R1.8 N#CCCCSc1ccccn1 62a_100011216584_100000687738 [0,1,0,0,0,0|1,0,1]=3 3084 B12R1.8 N#CCCCSc1cccnn1 62a_100000687738_100016991348 [0,1,0,0,0,0|2,0,1]=4 3085 B12R1.8 N#CCCCSc1cccnn1 62a_100016991348_100000687738 [0,1,0,0,0,0|2,0,1]=4 3086 B12R1.8 N#CCCCSc1ccncn1 62a_100000687738_100000703185 [0,1,0,0,0,0|2,0,1]=4 3087 B12R1.8 N#CCCCSc1ccncn1 62a_100000703185_100000687738 [0,1,0,0,0,0|2,0,1]=4 3088 B12R1.8 N#CCCCSc1cnccn1 62a_100000211759_100000687738 [0,1,0,0,0,0|2,0,1]=4 3089 B12R1.8 N#CCCCSc1cnccn1 62a_100000687738_100000211759 [0,1,0,0,0,0|2,0,1]=4 3090 B12R1.8 N#CCCCSc1ncccn1 62a_100000211032_100000687738 [0,1,0,0,0,0|2,0,1]=4 3091 B12R1.8 N#CCCCSc1ncccn1 62a_100000687738_100000211032 [0,1,0,0,0,0|2,0,1]=4 3092 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,1,0,0,0,0|2,0,1]=4 3093 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,1,0,0,0,0|2,0,1]=4 3094 B12R1.8 N#CCCNCc1ccccn1 270004a_100000720768_100000209966 [0,1,0,0,0,0|1,0,1]=3 3095 B12R1.8 N#CCCNCc1cccnn1 2230a_100159270163_100011215226 [0,1,0,0,0,0|2,0,1]=4 3096 B12R1.8 N#CCCNCc1cnccn1 270004a_100000720768_100000749867 [0,1,0,0,0,0|2,0,1]=4 3097 B12R1.8 N#CCCNCc1ncccn1 270004a_100000720768_100011532527 [0,1,0,0,0,0|2,0,1]=4 3098 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [0,1,0,0,0,0|2,0,1]=4 3099 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [0,1,0,0,0,0|2,0,1]=4 3100 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [0,1,0,0,0,0|2,0,1]=4 3101 B12R1.8 N#CCCSCc1ccccn1 62a_100000721315_100011215226 [0,1,0,0,0,0|1,0,1]=3 3102 B12R1.8 N#CCCSCc1ccccn1 62a_100011215226_100000721315 [0,1,0,0,0,0|1,0,1]=3 3103 B12R1.8 N#CCCSCc1cccnn1 62a_100011215226_100016990269 [0,1,0,0,0,0|2,0,1]=4 3104 B12R1.8 N#CCCSCc1cccnn1 62a_100016990269_100011215226 [0,1,0,0,0,0|2,0,1]=4 3105 B12R1.8 N#CCCSCc1cnccn1 62a_100011215226_100016995436 [0,1,0,0,0,0|2,0,1]=4 3106 B12R1.8 N#CCCSCc1cnccn1 62a_100016995436_100011215226 [0,1,0,0,0,0|2,0,1]=4 3107 B12R1.8 N#CCCSCc1ncccn1 62a_100000703007_100011215226 [0,1,0,0,0,0|2,0,1]=4 3108 B12R1.8 N#CCCSCc1ncccn1 62a_100011215226_100000703007 [0,1,0,0,0,0|2,0,1]=4 3109 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [0,1,0,0,0,0|2,0,1]=4 3110 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,1,0,0,0,0|2,0,1]=4 3111 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [0,1,0,0,0,0|2,0,1]=4 3112 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [0,1,0,0,0,0|2,0,1]=4 3113 B12R1.8 N#CCSCCc1ccccn1 62a_100011215382_100015183660 [0,1,0,0,0,0|1,0,1]=3 3114 B12R1.8 N#CCSCCc1ccccn1 62a_100015183660_100011215382 [0,1,0,0,0,0|1,0,1]=3 3115 B12R1.8 N#CSCCSc1ccccn1 62a_100000034367_100011216584 [0,1,0,0,0,0|2,0,1]=4 3116 B12R1.8 N#CSCCSc1ccccn1 62a_100011216584_100000034367 [0,1,0,0,0,0|2,0,1]=4 3117 B12R1.8 N#CSCSCc1ccccn1 62a_100000211825_100000721315 [0,1,0,0,0,0|2,0,1]=4 3118 B12R1.8 N#CSCSCc1ccccn1 62a_100000721315_100000211825 [0,1,0,0,0,0|2,0,1]=4 3119 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,1,0,0,0,0|2,0,0]=3 3120 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,1,0,0,0,0|1,0,0]=2 3121 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,1,0,0,0,0|3,0,0]=4 3122 B12R1.8 NCCCOCc1cccnn1 34a_100000182051_100016990269 [0,1,0,0,0,0|2,0,0]=3 3123 B12R1.8 NCCCOCc1cnccn1 34a_100000182051_100016995436 [0,1,0,0,0,0|2,0,0]=3 3124 B12R1.8 NCCCOCc1ncccn1 34a_100000182051_100000703007 [0,1,0,0,0,0|2,0,0]=3 3125 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,1,0,0,0,0|2,0,0]=3 3126 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,1,0,0,0,0|3,0,0]=4 3127 B12R1.8 NOCCOCc1ccccn1 34a_100000700252_100000721315 [0,1,0,0,0,0|2,0,0]=3 3128 B12R1.8 NOCCOCc1cccnn1 34a_100000700252_100016990269 [0,1,0,0,0,0|3,0,0]=4 3129 B12R1.8 NOCCOCc1cnccn1 34a_100000700252_100016995436 [0,1,0,0,0,0|3,0,0]=4 3130 B12R1.8 NOCCOCc1ncccn1 34a_100000700252_100000703007 [0,1,0,0,0,0|3,0,0]=4 3131 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,1,0,0,0,0|2,0,1]=4 3132 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,1,0,0,0,0|2,0,1]=4 3133 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,1,0,0,0,0|2,0,1]=4 3134 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [0,1,0,0,0,0|1,0,1]=3 3135 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [0,1,0,0,0,0|1,0,1]=3 3136 B12R1.8 O=CCCCSc1cccnn1 62a_100016991348_200011292268 [0,1,0,0,0,0|2,0,1]=4 3137 B12R1.8 O=CCCCSc1cccnn1 62a_200011292268_100016991348 [0,1,0,0,0,0|2,0,1]=4 3138 B12R1.8 O=CCCCSc1ccncn1 62a_100000703185_200011292268 [0,1,0,0,0,0|2,0,1]=4 3139 B12R1.8 O=CCCCSc1ccncn1 62a_200011292268_100000703185 [0,1,0,0,0,0|2,0,1]=4 3140 B12R1.8 O=CCCCSc1cnccn1 62a_100000211759_200011292268 [0,1,0,0,0,0|2,0,1]=4 3141 B12R1.8 O=CCCCSc1cnccn1 62a_200011292268_100000211759 [0,1,0,0,0,0|2,0,1]=4 3142 B12R1.8 O=CCCCSc1ncccn1 62a_100000211032_200011292268 [0,1,0,0,0,0|2,0,1]=4 3143 B12R1.8 O=CCCCSc1ncccn1 62a_200011292268_100000211032 [0,1,0,0,0,0|2,0,1]=4 3144 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,1,0,0,0,0|2,0,1]=4 3145 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,1,0,0,0,0|2,0,1]=4 3146 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,1,0,0,0,0|2,0,1]=4 3147 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,1,0,0,0,0|2,0,1]=4 3148 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [0,1,0,0,0,0|1,0,1]=3 3149 B12R1.8 O=CCOCCc1cnccn1 34a_100011349526_200009817547 [0,1,0,0,0,0|2,0,1]=4 3150 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,1,0,0,0,0|2,0,1]=4 3151 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,1,0,0,0,0|2,0,1]=4 3152 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [0,1,0,0,0,0|1,0,1]=3 3153 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [0,1,0,0,0,0|1,0,1]=3 3154 B12R1.8 OCC#CCSc1ccccn1 62a_100011216584_200000047223 [0,1,0,0,0,0|1,0,2]=4 3155 B12R1.8 OCC#CCSc1ccccn1 62a_200000047223_100011216584 [0,1,0,0,0,0|1,0,2]=4 3156 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,1,0,0,0,0|2,0,0]=3 3157 B12R1.8 OCCCCNc1cccnn1 27a_100000750430_100016991348 [0,1,0,0,0,0|2,0,0]=3 3158 B12R1.8 OCCCCNc1ccncn1 27a_100000750430_100000703185 [0,1,0,0,0,0|2,0,0]=3 3159 B12R1.8 OCCCCNc1cnccn1 27a_100000750430_100000211759 [0,1,0,0,0,0|2,0,0]=3 3160 B12R1.8 OCCCCNc1ncccn1 27a_100000750430_100000211032 [0,1,0,0,0,0|2,0,0]=3 3161 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,1,0,0,0,0|2,0,0]=3 3162 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,1,0,0,0,0|2,0,0]=3 3163 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,1,0,0,0,0|3,0,0]=4 3164 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,1,0,0,0,0|3,0,0]=4 3165 B12R1.8 OCCCCOc1ccncc1 34a_100000212176_100011216708 [0,1,0,0,0,0|3,0,0]=4 3166 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,1,0,0,0,0|2,0,0]=3 3167 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,1,0,0,0,0|2,0,0]=3 3168 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,1,0,0,0,0|1,0,0]=2 3169 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,1,0,0,0,0|1,0,0]=2 3170 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,1,0,0,0,0|3,0,0]=4 3171 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,1,0,0,0,0|3,0,0]=4 3172 B12R1.8 OCCCCSc1cccnn1 62a_100000210776_100016991348 [0,1,0,0,0,0|2,0,0]=3 3173 B12R1.8 OCCCCSc1cccnn1 62a_100016991348_100000210776 [0,1,0,0,0,0|2,0,0]=3 3174 B12R1.8 OCCCCSc1ccncc1 62a_100000210776_100000728582 [0,1,0,0,0,0|3,0,0]=4 3175 B12R1.8 OCCCCSc1ccncc1 62a_100000728582_100000210776 [0,1,0,0,0,0|3,0,0]=4 3176 B12R1.8 OCCCCSc1ccncn1 62a_100000210776_100000703185 [0,1,0,0,0,0|2,0,0]=3 3177 B12R1.8 OCCCCSc1ccncn1 62a_100000703185_100000210776 [0,1,0,0,0,0|2,0,0]=3 3178 B12R1.8 OCCCCSc1cnccn1 62a_100000210776_100000211759 [0,1,0,0,0,0|2,0,0]=3 3179 B12R1.8 OCCCCSc1cnccn1 62a_100000211759_100000210776 [0,1,0,0,0,0|2,0,0]=3 3180 B12R1.8 OCCCCSc1ncccn1 62a_100000210776_100000211032 [0,1,0,0,0,0|2,0,0]=3 3181 B12R1.8 OCCCCSc1ncccn1 62a_100000211032_100000210776 [0,1,0,0,0,0|2,0,0]=3 3182 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,1,0,0,0,0|2,0,0]=3 3183 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,1,0,0,0,0|2,0,0]=3 3184 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,1,0,0,0,0|2,0,0]=3 3185 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,1,0,0,0,0|2,0,0]=3 3186 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,1,0,0,0,0|1,0,0]=2 3187 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,1,0,0,0,0|1,0,0]=2 3188 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,1,0,0,0,0|3,0,0]=4 3189 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,1,0,0,0,0|3,0,0]=4 3190 B12R1.8 OCCCNCc1cccnn1 2230a_100159270163_100000230001 [0,1,0,0,0,0|2,0,0]=3 3191 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [0,1,0,0,0,0|3,0,0]=4 3192 B12R1.8 OCCCNCc1cnccn1 270004a_100000182051_100000749867 [0,1,0,0,0,0|2,0,0]=3 3193 B12R1.8 OCCCNCc1ncccn1 270004a_100000182051_100011532527 [0,1,0,0,0,0|2,0,0]=3 3194 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,1,0,0,0,0|2,0,0]=3 3195 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,1,0,0,0,0|2,0,0]=3 3196 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,1,0,0,0,0|2,0,0]=3 3197 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,1,0,0,0,0|2,0,0]=3 3198 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,1,0,0,0,0|1,0,0]=2 3199 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,1,0,0,0,0|1,0,0]=2 3200 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,1,0,0,0,0|3,0,0]=4 3201 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,1,0,0,0,0|3,0,0]=4 3202 B12R1.8 OCCCSCc1cccnn1 62a_100011215043_100016990269 [0,1,0,0,0,0|2,0,0]=3 3203 B12R1.8 OCCCSCc1cccnn1 62a_100016990269_100011215043 [0,1,0,0,0,0|2,0,0]=3 3204 B12R1.8 OCCCSCc1ccncc1 62a_100011215043_100015193705 [0,1,0,0,0,0|3,0,0]=4 3205 B12R1.8 OCCCSCc1ccncc1 62a_100015193705_100011215043 [0,1,0,0,0,0|3,0,0]=4 3206 B12R1.8 OCCCSCc1cnccn1 62a_100011215043_100016995436 [0,1,0,0,0,0|2,0,0]=3 3207 B12R1.8 OCCCSCc1cnccn1 62a_100016995436_100011215043 [0,1,0,0,0,0|2,0,0]=3 3208 B12R1.8 OCCCSCc1ncccn1 62a_100000703007_100011215043 [0,1,0,0,0,0|2,0,0]=3 3209 B12R1.8 OCCCSCc1ncccn1 62a_100011215043_100000703007 [0,1,0,0,0,0|2,0,0]=3 3210 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,1,0,0,0,0|2,0,0]=3 3211 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,1,0,0,0,0|2,0,0]=3 3212 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,1,0,0,0,0|2,0,0]=3 3213 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,1,0,0,0,0|2,0,0]=3 3214 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,1,0,0,0,0|1,0,0]=2 3215 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,1,0,0,0,0|3,0,0]=4 3216 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,1,0,0,0,0|3,0,0]=4 3217 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [0,1,0,0,0,0|3,0,0]=4 3218 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,1,0,0,0,0|3,0,0]=4 3219 B12R1.8 OCCNN=Cc1ccccn1 4a_100000210001_100000209966 [0,1,0,0,0,0|2,0,1]=4 3220 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,1,0,0,0,0|2,0,0]=3 3221 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,1,0,0,0,0|2,0,0]=3 3222 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,1,0,0,0,0|1,0,0]=2 3223 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,1,0,0,0,0|3,0,0]=4 3224 B12R1.8 OCCOCCc1ccncc1 34a_100011216225_100000211926 [0,1,0,0,0,0|3,0,0]=4 3225 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,1,0,0,0,0|2,0,0]=3 3226 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,1,0,0,0,0|2,0,0]=3 3227 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,1,0,0,0,0|2,0,0]=3 3228 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,1,0,0,0,0|1,0,0]=2 3229 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,1,0,0,0,0|1,0,0]=2 3230 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,1,0,0,0,0|3,0,0]=4 3231 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,1,0,0,0,0|3,0,0]=4 3232 B12R1.8 OCCSCCc1ccncc1 62a_100000211926_100000723409 [0,1,0,0,0,0|3,0,0]=4 3233 B12R1.8 OCCSCCc1ccncc1 62a_100000723409_100000211926 [0,1,0,0,0,0|3,0,0]=4 3234 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [0,1,0,0,0,0|3,0,0]=4 3235 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [0,1,0,0,0,0|3,0,0]=4 3236 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,1,0,0,0,0|1,0,0]=2 3237 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,1,0,0,0,0|1,0,0]=2 3238 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,1,0,0,0,0|2,0,0]=3 3239 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,1,0,0,0,0|2,0,0]=3 3240 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,1,0,0,0,0|2,0,0]=3 3241 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,1,0,0,0,0|2,0,0]=3 3242 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,1,0,0,0,0|2,0,0]=3 3243 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,1,0,0,0,0|2,0,0]=3 3244 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,1,0,0,0,0|2,0,0]=3 3245 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,1,0,0,0,0|2,0,0]=3 3246 B12R1.8 [13CH3]NCCSSc1ccccn1 2230a_100016995281_200025704644 [0,1,0,0,0,0|2,0,0]=3 3247 B12R1.8 [13CH3]NCCSSc1ccccn1 7a_100016995281_200025704644 [0,1,0,0,0,0|2,0,0]=3 3248 B12R1.8 [13CH3]OCCC#Cc1ccccc1 34a_100000760064_200025704644 [0,1,0,0,0,0|1,0,2]=4 3249 B12R1.8 [13CH3]OCCC#Cc1ccccc1 7a_100000760064_200025704644 [0,1,0,0,0,0|1,0,2]=4 3250 B12R1.8 [13CH3]OCCC#Cc1ccccn1 34a_200011894334_200025704644 [0,1,0,0,0,0|0,0,2]=3 3251 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,1,0,0,0,0|1,0,0]=2 3252 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,1,0,0,0,0|1,0,0]=2 3253 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,1,0,0,0,0|0,0,0]=1 3254 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,1,0,0,0,0|2,0,0]=3 3255 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,1,0,0,0,0|2,0,0]=3 3256 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,1,0,0,0,0|2,0,0]=3 3257 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,1,0,0,0,0|2,0,0]=3 3258 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,1,0,0,0,0|2,0,0]=3 3259 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,1,0,0,0,0|2,0,0]=3 3260 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,1,0,0,0,0|2,0,0]=3 3261 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,1,0,0,0,0|2,0,0]=3 3262 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,1,0,0,0,0|2,0,0]=3 3263 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,1,0,0,0,0|2,0,0]=3 3264 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,1,0,0,0,0|2,0,0]=3 3265 B12R1.8 [13CH3]OCCSSc1ccccn1 7a_100009993218_200025704644 [0,1,0,0,0,0|2,0,0]=3 3266 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,1,0,0,0,0|1,0,0]=2 3267 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,1,0,0,0,0|1,0,0]=2 3268 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [0,1,0,0,0,0|2,0,0]=3 3269 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [0,1,0,0,0,0|2,0,0]=3 3270 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,1,0,0,0,0|2,0,0]=3 3271 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,1,0,0,0,0|2,0,0]=3 3272 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,1,0,0,0,0|2,0,0]=3 3273 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,1,0,0,0,0|2,0,0]=3 3274 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,1,0,0,0,0|2,0,0]=3 3275 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,1,0,0,0,0|2,0,0]=3 3276 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,1,0,0,0,0|2,0,0]=3 3277 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,1,0,0,0,0|2,0,0]=3 3278 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,1,0,0,0,0|0,0,3]=4 3279 B12R1.27 C#CC(C)NCc1ccccn1 2230a_100000707721_100000721315 [0,1,0,0,0,0|1,0,2]=4 3280 B12R1.27 C#CC(C)NCc1ccccn1 270004a_100000707721_100000209966 [0,1,0,0,0,0|1,0,2]=4 3281 B12R1.27 C#CC(C)NCc1ccccn1 34a_100000707721_100000721315 [0,1,0,0,0,0|1,0,2]=4 3282 B12R1.27 C#CC(C)SCc1ccccn1 62a_200000035995_100000721315 [0,1,0,0,0,0|1,0,2]=4 3283 B12R1.27 C#C[C@@H](C)OCc1ccccn1 34a_100009815206_100000721315 [0,1,0,0,0,0|1,0,2]=4 3284 B12R1.27 C#C[C@@H](C)OCc1ccccn1 7a_100009815206_100000721315 [0,1,0,0,0,0|1,0,2]=4 3285 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,1,0,0,0,0|0,0,3]=4 3286 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,1,0,0,0,0|1,0,2]=4 3287 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,1,0,0,0,0|1,0,2]=4 3288 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,1,0,0,0,0|1,0,2]=4 3289 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,1,0,0,0,0|1,0,2]=4 3290 B12R1.27 CC(C#N)NCc1ccccn1 2230a_100000737613_100000721315 [0,1,0,0,0,0|2,0,1]=4 3291 B12R1.27 CC(C#N)OCc1ccccn1 34a_100011218135_100000721315 [0,1,0,0,0,0|2,0,1]=4 3292 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000703298_100000721315 [0,1,0,0,0,0|2,0,1]=4 3293 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000721315_100000703298 [0,1,0,0,0,0|2,0,1]=4 3294 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,1,0,0,0,0|2,0,0]=3 3295 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,1,0,0,0,0|2,0,0]=3 3296 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,1,0,0,0,0|3,0,0]=4 3297 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,1,0,0,0,0|3,0,0]=4 3298 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,1,0,0,0,0|2,0,0]=3 3299 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,1,0,0,0,0|2,0,0]=3 3300 B12R1.27 CC(CF)OCc1cccnn1 34a_100016041109_100016990269 [0,1,0,0,0,0|3,0,0]=4 3301 B12R1.27 CC(CF)OCc1cccnn1 7a_100016041109_100016990269 [0,1,0,0,0,0|3,0,0]=4 3302 B12R1.27 CC(CF)OCc1cnccn1 34a_100016041109_100016995436 [0,1,0,0,0,0|3,0,0]=4 3303 B12R1.27 CC(CF)OCc1cnccn1 7a_100016041109_100016995436 [0,1,0,0,0,0|3,0,0]=4 3304 B12R1.27 CC(CF)OCc1ncccn1 34a_100016041109_100000703007 [0,1,0,0,0,0|3,0,0]=4 3305 B12R1.27 CC(CF)OCc1ncccn1 7a_100016041109_100000703007 [0,1,0,0,0,0|3,0,0]=4 3306 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,0|3,0,0]=4 3307 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,1,0,0,0,0|2,0,0]=3 3308 B12R1.27 CC(CN)OCc1cccnn1 34a_100000210904_100016990269 [0,1,0,0,0,0|3,0,0]=4 3309 B12R1.27 CC(CN)OCc1cnccn1 34a_100000210904_100016995436 [0,1,0,0,0,0|3,0,0]=4 3310 B12R1.27 CC(CN)OCc1ncccn1 34a_100000210904_100000703007 [0,1,0,0,0,0|3,0,0]=4 3311 B12R1.27 CC(CO)CNc1cccnn1 27a_100000744482_100016991348 [0,1,0,0,0,0|3,0,0]=4 3312 B12R1.27 CC(CO)CNc1ccncn1 27a_100000744482_100000703185 [0,1,0,0,0,0|3,0,0]=4 3313 B12R1.27 CC(CO)CNc1cnccn1 27a_100000744482_100000211759 [0,1,0,0,0,0|3,0,0]=4 3314 B12R1.27 CC(CO)CNc1ncccn1 27a_100000744482_100000211032 [0,1,0,0,0,0|3,0,0]=4 3315 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,1,0,0,0,0|3,0,0]=4 3316 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,1,0,0,0,0|3,0,0]=4 3317 B12R1.27 CC(CO)NCc1cccnn1 2230a_100159270163_100012180447 [0,1,0,0,0,0|3,0,0]=4 3318 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,1,0,0,0,0|3,0,0]=4 3319 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,1,0,0,0,0|3,0,0]=4 3320 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,1,0,0,0,0|3,0,0]=4 3321 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,1,0,0,0,0|2,0,0]=3 3322 B12R1.27 CC(CO)SCc1cccnn1 62a_100012180447_100016990269 [0,1,0,0,0,0|3,0,0]=4 3323 B12R1.27 CC(CO)SCc1cnccn1 62a_100012180447_100016995436 [0,1,0,0,0,0|3,0,0]=4 3324 B12R1.27 CC(CO)SCc1ncccn1 62a_100012180447_100000703007 [0,1,0,0,0,0|3,0,0]=4 3325 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,1,0,0,0,0|3,0,0]=4 3326 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,1,0,0,0,0|3,0,0]=4 3327 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,1,0,0,0,0|3,0,0]=4 3328 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,1,0,0,0,0|3,0,0]=4 3329 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [0,1,0,0,0,0|0,0,3]=4 3330 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,1,0,0,0,0|0,0,3]=4 3331 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,0|1,0,1]=3 3332 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,0|1,0,1]=3 3333 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,0|0,0,1]=2 3334 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,0|0,0,1]=2 3335 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,0|2,0,1]=4 3336 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,0|2,0,1]=4 3337 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,0|2,0,1]=4 3338 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,0|2,0,1]=4 3339 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,0|2,0,1]=4 3340 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,0|2,0,1]=4 3341 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,1,0,0,0,0|1,0,1]=3 3342 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,0|2,0,1]=4 3343 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,0|2,0,1]=4 3344 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,0|2,0,1]=4 3345 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,1,0,0,0,0|1,0,1]=3 3346 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,1,0,0,0,0|1,0,1]=3 3347 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,1,0,0,0,0|1,0,1]=3 3348 B12R1.27 CCC(=O)CSc1cccnn1 62a_100000747405_100016991348 [0,1,0,0,0,0|2,0,1]=4 3349 B12R1.27 CCC(=O)CSc1cccnn1 62a_100016991348_100000747405 [0,1,0,0,0,0|2,0,1]=4 3350 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000703185_100000747405 [0,1,0,0,0,0|2,0,1]=4 3351 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000747405_100000703185 [0,1,0,0,0,0|2,0,1]=4 3352 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000211759_100000747405 [0,1,0,0,0,0|2,0,1]=4 3353 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000747405_100000211759 [0,1,0,0,0,0|2,0,1]=4 3354 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000211032_100000747405 [0,1,0,0,0,0|2,0,1]=4 3355 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000747405_100000211032 [0,1,0,0,0,0|2,0,1]=4 3356 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 3357 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 3358 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 3359 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 3360 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,1,0,0,0,0|1,0,1]=3 3361 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,1,0,0,0,0|1,0,1]=3 3362 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,1,0,0,0,0|1,0,1]=3 3363 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,1,0,0,0,0|1,0,1]=3 3364 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [0,1,0,0,0,0|2,0,1]=4 3365 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [0,1,0,0,0,0|2,0,1]=4 3366 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [0,1,0,0,0,0|2,0,1]=4 3367 B12R1.27 CCC(=O)NCc1ccncn1 11a_100000736019_100000210414 [0,1,0,0,0,0|2,0,1]=4 3368 B12R1.27 CCC(=O)NCc1ccncn1 240690a_100000736019_100000210414 [0,1,0,0,0,0|2,0,1]=4 3369 B12R1.27 CCC(=O)NCc1ccncn1 527a_100000736019_100000210414 [0,1,0,0,0,0|2,0,1]=4 3370 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [0,1,0,0,0,0|2,0,1]=4 3371 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [0,1,0,0,0,0|2,0,1]=4 3372 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [0,1,0,0,0,0|2,0,1]=4 3373 B12R1.27 CCC(=O)NCc1ncccn1 11a_100015189908_100000210414 [0,1,0,0,0,0|2,0,1]=4 3374 B12R1.27 CCC(=O)NCc1ncccn1 240690a_100015189908_100000210414 [0,1,0,0,0,0|2,0,1]=4 3375 B12R1.27 CCC(=O)NCc1ncccn1 527a_100015189908_100000210414 [0,1,0,0,0,0|2,0,1]=4 3376 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,1,0,0,0,0|2,0,1]=4 3377 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,1,0,0,0,0|2,0,0]=3 3378 B12R1.27 CCC(C)CNc1cccnn1 27a_100020588543_100016991348 [0,1,0,0,0,0|2,0,0]=3 3379 B12R1.27 CCC(C)CNc1ccncn1 27a_100020588543_100000703185 [0,1,0,0,0,0|2,0,0]=3 3380 B12R1.27 CCC(C)CNc1cnccn1 27a_100020588543_100000211759 [0,1,0,0,0,0|2,0,0]=3 3381 B12R1.27 CCC(C)CNc1ncccn1 27a_100020588543_100000211032 [0,1,0,0,0,0|2,0,0]=3 3382 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,1,0,0,0,0|2,0,0]=3 3383 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,1,0,0,0,0|2,0,0]=3 3384 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,1,0,0,0,0|3,0,0]=4 3385 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,1,0,0,0,0|3,0,0]=4 3386 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,1,0,0,0,0|3,0,0]=4 3387 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,1,0,0,0,0|2,0,0]=3 3388 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,1,0,0,0,0|2,0,0]=3 3389 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,1,0,0,0,0|1,0,0]=2 3390 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,1,0,0,0,0|1,0,0]=2 3391 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,1,0,0,0,0|3,0,0]=4 3392 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,1,0,0,0,0|3,0,0]=4 3393 B12R1.27 CCC(C)CSc1cccnn1 62a_100000748023_100016991348 [0,1,0,0,0,0|2,0,0]=3 3394 B12R1.27 CCC(C)CSc1cccnn1 62a_100016991348_100000748023 [0,1,0,0,0,0|2,0,0]=3 3395 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,1,0,0,0,0|3,0,0]=4 3396 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,1,0,0,0,0|3,0,0]=4 3397 B12R1.27 CCC(C)CSc1ccncn1 62a_100000703185_100000748023 [0,1,0,0,0,0|2,0,0]=3 3398 B12R1.27 CCC(C)CSc1ccncn1 62a_100000748023_100000703185 [0,1,0,0,0,0|2,0,0]=3 3399 B12R1.27 CCC(C)CSc1cnccn1 62a_100000211759_100000748023 [0,1,0,0,0,0|2,0,0]=3 3400 B12R1.27 CCC(C)CSc1cnccn1 62a_100000748023_100000211759 [0,1,0,0,0,0|2,0,0]=3 3401 B12R1.27 CCC(C)CSc1ncccn1 62a_100000211032_100000748023 [0,1,0,0,0,0|2,0,0]=3 3402 B12R1.27 CCC(C)CSc1ncccn1 62a_100000748023_100000211032 [0,1,0,0,0,0|2,0,0]=3 3403 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,1,0,0,0,0|2,0,0]=3 3404 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,1,0,0,0,0|2,0,0]=3 3405 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,1,0,0,0,0|2,0,0]=3 3406 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,1,0,0,0,0|2,0,0]=3 3407 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,1,0,0,0,0|2,0,0]=3 3408 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,1,0,0,0,0|1,0,0]=2 3409 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,1,0,0,0,0|1,0,0]=2 3410 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,1,0,0,0,0|1,0,0]=2 3411 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,1,0,0,0,0|3,0,0]=4 3412 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,1,0,0,0,0|3,0,0]=4 3413 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,1,0,0,0,0|3,0,0]=4 3414 B12R1.27 CCC(C)NCc1cccnn1 2230a_100000209981_100016990269 [0,1,0,0,0,0|2,0,0]=3 3415 B12R1.27 CCC(C)NCc1cccnn1 2230a_100159270163_100000758301 [0,1,0,0,0,0|2,0,0]=3 3416 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,1,0,0,0,0|3,0,0]=4 3417 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,1,0,0,0,0|3,0,0]=4 3418 B12R1.27 CCC(C)NCc1cnccn1 2230a_100000209981_100016995436 [0,1,0,0,0,0|2,0,0]=3 3419 B12R1.27 CCC(C)NCc1cnccn1 270004a_100000209981_100000749867 [0,1,0,0,0,0|2,0,0]=3 3420 B12R1.27 CCC(C)NCc1ncccn1 2230a_100000209981_100000703007 [0,1,0,0,0,0|2,0,0]=3 3421 B12R1.27 CCC(C)NCc1ncccn1 270004a_100000209981_100011532527 [0,1,0,0,0,0|2,0,0]=3 3422 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,0,0,0,0|2,0,0]=3 3423 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,0,0,0,0|2,0,0]=3 3424 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,0,0,0,0|2,0,0]=3 3425 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,1,0,0,0,0|1,0,0]=2 3426 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,1,0,0,0,0|3,0,0]=4 3427 B12R1.27 CCC(C)OCc1cccnn1 7a_100000210228_100016990269 [0,1,0,0,0,0|2,0,0]=3 3428 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,1,0,0,0,0|3,0,0]=4 3429 B12R1.27 CCC(C)OCc1cnccn1 7a_100000210228_100016995436 [0,1,0,0,0,0|2,0,0]=3 3430 B12R1.27 CCC(C)OCc1ncccn1 7a_100000210228_100000703007 [0,1,0,0,0,0|2,0,0]=3 3431 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,1,0,0,0,0|2,0,0]=3 3432 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,1,0,0,0,0|2,0,0]=3 3433 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,1,0,0,0,0|1,0,0]=2 3434 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,1,0,0,0,0|1,0,0]=2 3435 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,1,0,0,0,0|3,0,0]=4 3436 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,1,0,0,0,0|3,0,0]=4 3437 B12R1.27 CCC(C)SCc1cccnn1 62a_100000758301_100016990269 [0,1,0,0,0,0|2,0,0]=3 3438 B12R1.27 CCC(C)SCc1cccnn1 62a_100016990269_100000758301 [0,1,0,0,0,0|2,0,0]=3 3439 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,1,0,0,0,0|3,0,0]=4 3440 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,1,0,0,0,0|3,0,0]=4 3441 B12R1.27 CCC(C)SCc1cnccn1 62a_100000758301_100016995436 [0,1,0,0,0,0|2,0,0]=3 3442 B12R1.27 CCC(C)SCc1cnccn1 62a_100016995436_100000758301 [0,1,0,0,0,0|2,0,0]=3 3443 B12R1.27 CCC(C)SCc1ncccn1 62a_100000703007_100000758301 [0,1,0,0,0,0|2,0,0]=3 3444 B12R1.27 CCC(C)SCc1ncccn1 62a_100000758301_100000703007 [0,1,0,0,0,0|2,0,0]=3 3445 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,1,0,0,0,0|2,0,0]=3 3446 B12R1.27 CCC(O)CNc1cccnn1 27a_100011218483_100016991348 [0,1,0,0,0,0|2,0,0]=3 3447 B12R1.27 CCC(O)CNc1ccncn1 27a_100011218483_100000703185 [0,1,0,0,0,0|2,0,0]=3 3448 B12R1.27 CCC(O)CNc1cnccn1 27a_100011218483_100000211759 [0,1,0,0,0,0|2,0,0]=3 3449 B12R1.27 CCC(O)CNc1ncccn1 27a_100011218483_100000211032 [0,1,0,0,0,0|2,0,0]=3 3450 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,0,0,0|2,0,0]=3 3451 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,0,0,0|2,0,0]=3 3452 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,1,0,0,0,0|3,0,0]=4 3453 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,1,0,0,0,0|3,0,0]=4 3454 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,1,0,0,0,0|3,0,0]=4 3455 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,1,0,0,0,0|2,0,0]=3 3456 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,1,0,0,0,0|2,0,0]=3 3457 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,1,0,0,0,0|1,0,0]=2 3458 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,1,0,0,0,0|1,0,0]=2 3459 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,1,0,0,0,0|3,0,0]=4 3460 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,1,0,0,0,0|3,0,0]=4 3461 B12R1.27 CCC(O)CSc1cccnn1 62a_100011218378_100016991348 [0,1,0,0,0,0|2,0,0]=3 3462 B12R1.27 CCC(O)CSc1cccnn1 62a_100016991348_100011218378 [0,1,0,0,0,0|2,0,0]=3 3463 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [0,1,0,0,0,0|3,0,0]=4 3464 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [0,1,0,0,0,0|3,0,0]=4 3465 B12R1.27 CCC(O)CSc1ccncn1 62a_100000703185_100011218378 [0,1,0,0,0,0|2,0,0]=3 3466 B12R1.27 CCC(O)CSc1ccncn1 62a_100011218378_100000703185 [0,1,0,0,0,0|2,0,0]=3 3467 B12R1.27 CCC(O)CSc1cnccn1 62a_100000211759_100011218378 [0,1,0,0,0,0|2,0,0]=3 3468 B12R1.27 CCC(O)CSc1cnccn1 62a_100011218378_100000211759 [0,1,0,0,0,0|2,0,0]=3 3469 B12R1.27 CCC(O)CSc1ncccn1 62a_100000211032_100011218378 [0,1,0,0,0,0|2,0,0]=3 3470 B12R1.27 CCC(O)CSc1ncccn1 62a_100011218378_100000211032 [0,1,0,0,0,0|2,0,0]=3 3471 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,1,0,0,0,0|2,0,0]=3 3472 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,1,0,0,0,0|2,0,0]=3 3473 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,1,0,0,0,0|2,0,0]=3 3474 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,1,0,0,0,0|2,0,0]=3 3475 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,1,0,0,0,0|2,0,0]=3 3476 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,1,0,0,0,0|2,0,0]=3 3477 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,1,0,0,0,0|1,0,0]=2 3478 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,1,0,0,0,0|1,0,0]=2 3479 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,1,0,0,0,0|1,0,0]=2 3480 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,1,0,0,0,0|1,0,0]=2 3481 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,1,0,0,0,0|1,0,0]=2 3482 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,1,0,0,0,0|1,0,0]=2 3483 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,1,0,0,0,0|3,0,0]=4 3484 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,1,0,0,0,0|3,0,0]=4 3485 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,1,0,0,0,0|3,0,0]=4 3486 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,1,0,0,0,0|3,0,0]=4 3487 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,1,0,0,0,0|3,0,0]=4 3488 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,1,0,0,0,0|3,0,0]=4 3489 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,1,0,0,0,0|3,0,0]=4 3490 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,1,0,0,0,0|3,0,0]=4 3491 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,1,0,0,0,0|3,0,0]=4 3492 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,1,0,0,0,0|3,0,0]=4 3493 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,1,0,0,0,0|2,0,0]=3 3494 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,1,0,0,0,0|2,0,0]=3 3495 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,1,0,0,0,0|1,0,0]=2 3496 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,1,0,0,0,0|1,0,0]=2 3497 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,1,0,0,0,0|2,0,0]=3 3498 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,1,0,0,0,0|2,0,0]=3 3499 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,1,0,0,0,0|2,0,0]=3 3500 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,1,0,0,0,0|3,0,0]=4 3501 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,1,0,0,0,0|3,0,0]=4 3502 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,1,0,0,0,0|3,0,0]=4 3503 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,1,0,0,0,0|2,0,0]=3 3504 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,1,0,0,0,0|2,0,0]=3 3505 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,1,0,0,0,0|1,0,0]=2 3506 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,1,0,0,0,0|1,0,0]=2 3507 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,1,0,0,0,0|3,0,0]=4 3508 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,1,0,0,0,0|3,0,0]=4 3509 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100009816398_100016991348 [0,1,0,0,0,0|2,0,0]=3 3510 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100016991348_100009816398 [0,1,0,0,0,0|2,0,0]=3 3511 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,1,0,0,0,0|3,0,0]=4 3512 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,1,0,0,0,0|3,0,0]=4 3513 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100000703185_100009816398 [0,1,0,0,0,0|2,0,0]=3 3514 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100009816398_100000703185 [0,1,0,0,0,0|2,0,0]=3 3515 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100000211759_100009816398 [0,1,0,0,0,0|2,0,0]=3 3516 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100009816398_100000211759 [0,1,0,0,0,0|2,0,0]=3 3517 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100000211032_100009816398 [0,1,0,0,0,0|2,0,0]=3 3518 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100009816398_100000211032 [0,1,0,0,0,0|2,0,0]=3 3519 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,1,0,0,0,0|3,0,0]=4 3520 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [0,1,0,0,0,0|2,0,0]=3 3521 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,0|2,0,1]=4 3522 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,0|2,0,1]=4 3523 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,0|2,0,1]=4 3524 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,0|2,0,1]=4 3525 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,0|1,0,1]=3 3526 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,0|1,0,1]=3 3527 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,0|1,0,1]=3 3528 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,1,0,0,0,0|2,0,1]=4 3529 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,1,0,0,0,0|2,0,1]=4 3530 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,1,0,0,0,0|2,0,1]=4 3531 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,1,0,0,0,0|2,0,1]=4 3532 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,1,0,0,0,0|2,0,1]=4 3533 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,1,0,0,0,0|2,0,1]=4 3534 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,1,0,0,0,0|2,0,1]=4 3535 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,1,0,0,0,0|2,0,1]=4 3536 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,1,0,0,0,0|2,0,1]=4 3537 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,1,0,0,0,0|2,0,1]=4 3538 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,1,0,0,0,0|2,0,1]=4 3539 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,1,0,0,0,0|2,0,1]=4 3540 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,1,0,0,0,0|2,0,1]=4 3541 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,1,0,0,0,0|2,0,0]=3 3542 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,1,0,0,0,0|2,0,0]=3 3543 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,1,0,0,0,0|2,0,0]=3 3544 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,1,0,0,0,0|3,0,0]=4 3545 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,1,0,0,0,0|3,0,0]=4 3546 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,1,0,0,0,0|3,0,0]=4 3547 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,1,0,0,0,0|3,0,0]=4 3548 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,0|2,0,1]=4 3549 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,0|2,0,1]=4 3550 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,1,0,0,0,0|3,0,0]=4 3551 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,1,0,0,0,0|3,0,0]=4 3552 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,1,0,0,0,0|3,0,0]=4 3553 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,1,0,0,0,0|3,0,0]=4 3554 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,1,0,0,0,0|2,0,0]=3 3555 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,1,0,0,0,0|2,0,0]=3 3556 B12R1.27 COC(C)SCc1cccnn1 62a_100009879195_100016990269 [0,1,0,0,0,0|3,0,0]=4 3557 B12R1.27 COC(C)SCc1cccnn1 62a_100016990269_100009879195 [0,1,0,0,0,0|3,0,0]=4 3558 B12R1.27 COC(C)SCc1cnccn1 62a_100009879195_100016995436 [0,1,0,0,0,0|3,0,0]=4 3559 B12R1.27 COC(C)SCc1cnccn1 62a_100016995436_100009879195 [0,1,0,0,0,0|3,0,0]=4 3560 B12R1.27 COC(C)SCc1ncccn1 62a_100000703007_100009879195 [0,1,0,0,0,0|3,0,0]=4 3561 B12R1.27 COC(C)SCc1ncccn1 62a_100009879195_100000703007 [0,1,0,0,0,0|3,0,0]=4 3562 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,0,0,0|2,0,0]=3 3563 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,0,0,0|2,0,0]=3 3564 B12R1.27 CO[C@H](C)CNc1cccnn1 27a_100020591295_100016991348 [0,1,0,0,0,0|3,0,0]=4 3565 B12R1.27 CO[C@H](C)CNc1ccncn1 27a_100020591295_100000703185 [0,1,0,0,0,0|3,0,0]=4 3566 B12R1.27 CO[C@H](C)CNc1cnccn1 27a_100020591295_100000211759 [0,1,0,0,0,0|3,0,0]=4 3567 B12R1.27 CO[C@H](C)CNc1ncccn1 27a_100020591295_100000211032 [0,1,0,0,0,0|3,0,0]=4 3568 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,0,0,0|2,0,0]=3 3569 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,0,0,0|2,0,0]=3 3570 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,1,0,0,0,0|3,0,0]=4 3571 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,1,0,0,0,0|3,0,0]=4 3572 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,1,0,0,0,0|3,0,0]=4 3573 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,1,0,0,0,0|3,0,0]=4 3574 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,1,0,0,0,0|3,0,0]=4 3575 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,1,0,0,0,0|2,0,0]=3 3576 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,1,0,0,0,0|2,0,0]=3 3577 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100000059175_100016991348 [0,1,0,0,0,0|3,0,0]=4 3578 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100016991348_100000059175 [0,1,0,0,0,0|3,0,0]=4 3579 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000059175_100000703185 [0,1,0,0,0,0|3,0,0]=4 3580 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000703185_100000059175 [0,1,0,0,0,0|3,0,0]=4 3581 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000059175_100000211759 [0,1,0,0,0,0|3,0,0]=4 3582 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000211759_100000059175 [0,1,0,0,0,0|3,0,0]=4 3583 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000059175_100000211032 [0,1,0,0,0,0|3,0,0]=4 3584 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000211032_100000059175 [0,1,0,0,0,0|3,0,0]=4 3585 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,1,0,0,0,0|3,0,0]=4 3586 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,1,0,0,0,0|3,0,0]=4 3587 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,1,0,0,0,0|2,0,0]=3 3588 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,1,0,0,0,0|2,0,0]=3 3589 B12R1.27 C[C@H](CF)NCc1cnccn1 270004a_100102880703_100000749867 [0,1,0,0,0,0|3,0,0]=4 3590 B12R1.27 C[C@H](CF)NCc1ncccn1 270004a_100102880703_100011532527 [0,1,0,0,0,0|3,0,0]=4 3591 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,1,0,0,0,0|3,0,0]=4 3592 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,1,0,0,0,0|3,0,0]=4 3593 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,1,0,0,0,0|3,0,0]=4 3594 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,1,0,0,0,0|2,0,0]=3 3595 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,1,0,0,0,0|2,0,0]=3 3596 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,1,0,0,0,0|2,0,0]=3 3597 B12R1.27 C[C@H](CO)NCc1cccnn1 2230a_100000737577_100016990269 [0,1,0,0,0,0|3,0,0]=4 3598 B12R1.27 C[C@H](CO)NCc1cnccn1 2230a_100000737577_100016995436 [0,1,0,0,0,0|3,0,0]=4 3599 B12R1.27 C[C@H](CO)NCc1cnccn1 270004a_100000737577_100000749867 [0,1,0,0,0,0|3,0,0]=4 3600 B12R1.27 C[C@H](CO)NCc1ncccn1 2230a_100000737577_100000703007 [0,1,0,0,0,0|3,0,0]=4 3601 B12R1.27 C[C@H](CO)NCc1ncccn1 270004a_100000737577_100011532527 [0,1,0,0,0,0|3,0,0]=4 3602 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,1,0,0,0,0|3,0,0]=4 3603 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,1,0,0,0,0|3,0,0]=4 3604 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,1,0,0,0,0|2,0,0]=3 3605 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,1,0,0,0,0|2,0,0]=3 3606 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016084084_100016990269 [0,1,0,0,0,0|3,0,0]=4 3607 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016990269_100016084084 [0,1,0,0,0,0|3,0,0]=4 3608 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016084084_100016995436 [0,1,0,0,0,0|3,0,0]=4 3609 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016995436_100016084084 [0,1,0,0,0,0|3,0,0]=4 3610 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100000703007_100016084084 [0,1,0,0,0,0|3,0,0]=4 3611 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100016084084_100000703007 [0,1,0,0,0,0|3,0,0]=4 3612 B12R1.27 N#CC(F)SCc1ccccn1 62a_100000721315_200000117898 [0,1,0,0,0,0|2,0,1]=4 3613 B12R1.27 N#CC(F)SCc1ccccn1 62a_200000117898_100000721315 [0,1,0,0,0,0|2,0,1]=4 3614 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,0|2,0,1]=4 3615 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,0|1,0,1]=3 3616 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,1,0,0,0,0|2,0,1]=4 3617 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,1,0,0,0,0|2,0,1]=4 3618 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,0|2,0,1]=4 3619 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,0|1,0,1]=3 3620 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,0|2,0,1]=4 3621 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,0|2,0,1]=4 3622 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,1,0,0,0,0|3,0,0]=4 3623 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,1,0,0,0,0|3,0,0]=4 3624 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,1,0,0,0,0|3,0,0]=4 3625 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,1,0,0,0,0|3,0,0]=4 3626 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,1,0,0,0,0|3,0,0]=4 3627 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,1,0,0,0,0|2,0,0]=3 3628 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,1,0,0,0,0|2,0,0]=3 3629 B12R1.27 OCC(O)CSc1cccnn1 62a_100011219619_100016991348 [0,1,0,0,0,0|3,0,0]=4 3630 B12R1.27 OCC(O)CSc1cccnn1 62a_100016991348_100011219619 [0,1,0,0,0,0|3,0,0]=4 3631 B12R1.27 OCC(O)CSc1ccncn1 62a_100000703185_100011219619 [0,1,0,0,0,0|3,0,0]=4 3632 B12R1.27 OCC(O)CSc1ccncn1 62a_100011219619_100000703185 [0,1,0,0,0,0|3,0,0]=4 3633 B12R1.27 OCC(O)CSc1cnccn1 62a_100000211759_100011219619 [0,1,0,0,0,0|3,0,0]=4 3634 B12R1.27 OCC(O)CSc1cnccn1 62a_100011219619_100000211759 [0,1,0,0,0,0|3,0,0]=4 3635 B12R1.27 OCC(O)CSc1ncccn1 62a_100000211032_100011219619 [0,1,0,0,0,0|3,0,0]=4 3636 B12R1.27 OCC(O)CSc1ncccn1 62a_100011219619_100000211032 [0,1,0,0,0,0|3,0,0]=4 3637 B12R1.27 OC[C@@H](O)CNc1cccnn1 27a_100020644852_100016991348 [0,1,0,0,0,0|3,0,0]=4 3638 B12R1.27 OC[C@@H](O)CNc1ccncn1 27a_100020644852_100000703185 [0,1,0,0,0,0|3,0,0]=4 3639 B12R1.27 OC[C@@H](O)CNc1cnccn1 27a_100020644852_100000211759 [0,1,0,0,0,0|3,0,0]=4 3640 B12R1.27 OC[C@@H](O)CNc1ncccn1 27a_100020644852_100000211032 [0,1,0,0,0,0|3,0,0]=4 3641 B12R1.27 OC[C@H](F)CNc1cccnn1 27a_100015665980_100016991348 [0,1,0,0,0,0|3,0,0]=4 3642 B12R1.27 OC[C@H](F)CNc1ccncn1 27a_100015665980_100000703185 [0,1,0,0,0,0|3,0,0]=4 3643 B12R1.27 OC[C@H](F)CNc1cnccn1 27a_100015665980_100000211759 [0,1,0,0,0,0|3,0,0]=4 3644 B12R1.27 OC[C@H](F)CNc1ncccn1 27a_100015665980_100000211032 [0,1,0,0,0,0|3,0,0]=4 3645 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,1,0,0,0,0|3,0,0]=4 3646 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,1,0,0,0,0|3,0,0]=4 3647 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,1,0,0,0,0|3,0,0]=4 3648 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,1,0,0,0,0|3,0,0]=4 3649 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,1,0,0,0,0|3,0,0]=4 3650 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,1,0,0,0,0|2,0,0]=3 3651 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,1,0,0,0,0|2,0,0]=3 3652 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100009815848_100016991348 [0,1,0,0,0,0|3,0,0]=4 3653 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100016991348_100009815848 [0,1,0,0,0,0|3,0,0]=4 3654 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100000703185_100009815848 [0,1,0,0,0,0|3,0,0]=4 3655 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100009815848_100000703185 [0,1,0,0,0,0|3,0,0]=4 3656 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100000211759_100009815848 [0,1,0,0,0,0|3,0,0]=4 3657 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100009815848_100000211759 [0,1,0,0,0,0|3,0,0]=4 3658 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100000211032_100009815848 [0,1,0,0,0,0|3,0,0]=4 3659 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100009815848_100000211032 [0,1,0,0,0,0|3,0,0]=4 3660 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,1,0,0,0,0|3,0,0]=4 3661 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,1,0,0,0,0|3,0,0]=4 3662 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,1,0,0,0,0|3,0,0]=4 3663 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,1,0,0,0,0|3,0,0]=4 3664 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,1,0,0,0,0|3,0,0]=4 3665 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,1,0,0,0,0|2,0,0]=3 3666 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,1,0,0,0,0|2,0,0]=3 3667 B12R1.27 O[C@@H](CF)CSc1cccnn1 62a_100015614560_100016991348 [0,1,0,0,0,0|3,0,0]=4 3668 B12R1.27 O[C@@H](CF)CSc1cccnn1 62a_100016991348_100015614560 [0,1,0,0,0,0|3,0,0]=4 3669 B12R1.27 O[C@@H](CF)CSc1ccncn1 62a_100000703185_100015614560 [0,1,0,0,0,0|3,0,0]=4 3670 B12R1.27 O[C@@H](CF)CSc1ccncn1 62a_100015614560_100000703185 [0,1,0,0,0,0|3,0,0]=4 3671 B12R1.27 O[C@@H](CF)CSc1cnccn1 62a_100000211759_100015614560 [0,1,0,0,0,0|3,0,0]=4 3672 B12R1.27 O[C@@H](CF)CSc1cnccn1 62a_100015614560_100000211759 [0,1,0,0,0,0|3,0,0]=4 3673 B12R1.27 O[C@@H](CF)CSc1ncccn1 62a_100000211032_100015614560 [0,1,0,0,0,0|3,0,0]=4 3674 B12R1.27 O[C@@H](CF)CSc1ncccn1 62a_100015614560_100000211032 [0,1,0,0,0,0|3,0,0]=4 3675 B12R1.28 BrCCOCc1cc(ccn1)Br 34a_100000211926_100010173614 [0,1,0,0,0,0|2,0,0]=3 3676 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [0,1,0,0,0,0|3,0,0]=4 3677 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [0,1,0,0,0,0|3,0,0]=4 3678 B12R1.28 BrCCOCc1cccc(n1)Br 34a_100000211926_100009889011 [0,1,0,0,0,0|2,0,0]=3 3679 B12R1.28 C#CCCNc1cc(ccn1)F 27a_100000755551_100000764206 [0,1,0,0,0,0|1,0,2]=4 3680 B12R1.28 C#CCCNc1cccc(n1)F 27a_100000755551_100009815982 [0,1,0,0,0,0|1,0,2]=4 3681 B12R1.28 C#CCCOc1cccc(n1)F 34a_100011432558_100000688953 [0,1,0,0,0,0|1,0,2]=4 3682 B12R1.28 C#CCCSc1cc(ccn1)C 62a_100000688953_100000750283 [0,1,0,0,0,0|1,0,2]=4 3683 B12R1.28 C#CCCSc1cc(ccn1)C 62a_100000750283_100000688953 [0,1,0,0,0,0|1,0,2]=4 3684 B12R1.28 C#CCCSc1cc(ccn1)Cl 62a_100000688953_100010167805 [0,1,0,0,0,0|1,0,2]=4 3685 B12R1.28 C#CCCSc1cc(ccn1)Cl 62a_100010167805_100000688953 [0,1,0,0,0,0|1,0,2]=4 3686 B12R1.28 C#CCCSc1cc(ccn1)F 62a_100000688953_100000764206 [0,1,0,0,0,0|1,0,2]=4 3687 B12R1.28 C#CCCSc1cc(ccn1)F 62a_100000764206_100000688953 [0,1,0,0,0,0|1,0,2]=4 3688 B12R1.28 C#CCCSc1cc(ccn1)N 62a_100000688953_100009814236 [0,1,0,0,0,0|1,0,2]=4 3689 B12R1.28 C#CCCSc1cc(ccn1)N 62a_100009814236_100000688953 [0,1,0,0,0,0|1,0,2]=4 3690 B12R1.28 C#CCCSc1cc(ccn1)O 62a_100000688953_100000762945 [0,1,0,0,0,0|1,0,2]=4 3691 B12R1.28 C#CCCSc1cccc(n1)Br 62a_100000684672_100000688953 [0,1,0,0,0,0|1,0,2]=4 3692 B12R1.28 C#CCCSc1cccc(n1)Br 62a_100000688953_100000684672 [0,1,0,0,0,0|1,0,2]=4 3693 B12R1.28 C#CCCSc1cccc(n1)C 62a_100000688953_100000742759 [0,1,0,0,0,0|1,0,2]=4 3694 B12R1.28 C#CCCSc1cccc(n1)C 62a_100000742759_100000688953 [0,1,0,0,0,0|1,0,2]=4 3695 B12R1.28 C#CCCSc1cccc(n1)Cl 62a_100000051397_100000688953 [0,1,0,0,0,0|1,0,2]=4 3696 B12R1.28 C#CCCSc1cccc(n1)Cl 62a_100000688953_100000051397 [0,1,0,0,0,0|1,0,2]=4 3697 B12R1.28 C#CCCSc1cccc(n1)F 62a_100000688953_100009815982 [0,1,0,0,0,0|1,0,2]=4 3698 B12R1.28 C#CCCSc1cccc(n1)F 62a_100009815982_100000688953 [0,1,0,0,0,0|1,0,2]=4 3699 B12R1.28 C#CCCSc1cccc(n1)N 62a_100000688953_100000740741 [0,1,0,0,0,0|1,0,2]=4 3700 B12R1.28 C#CCCSc1cccc(n1)N 62a_100000740741_100000688953 [0,1,0,0,0,0|1,0,2]=4 3701 B12R1.28 C#CCNCc1cc(ccn1)Br 34a_100000212058_100010173614 [0,1,0,0,0,0|1,0,2]=4 3702 B12R1.28 C#CCNCc1cc(ccn1)C 34a_100000212058_100000718516 [0,1,0,0,0,0|1,0,2]=4 3703 B12R1.28 C#CCNCc1cc(ccn1)Cl 34a_100000212058_100016988179 [0,1,0,0,0,0|1,0,2]=4 3704 B12R1.28 C#CCNCc1cccc(n1)Br 2230a_100016987751_100000038162 [0,1,0,0,0,0|1,0,2]=4 3705 B12R1.28 C#CCNCc1cccc(n1)Br 34a_100000212058_100009889011 [0,1,0,0,0,0|1,0,2]=4 3706 B12R1.28 C#CCNCc1cccc(n1)C 34a_100000212058_100000757606 [0,1,0,0,0,0|1,0,2]=4 3707 B12R1.28 C#CCNCc1cccc(n1)C 34a_100000701342_100000184674 [0,1,0,0,0,0|1,0,2]=4 3708 B12R1.28 C#CCNCc1cccc(n1)Cl 2230a_100016990191_100000038162 [0,1,0,0,0,0|1,0,2]=4 3709 B12R1.28 C#CCNCc1cccc(n1)Cl 34a_100000212058_100000086093 [0,1,0,0,0,0|1,0,2]=4 3710 B12R1.28 C#CCNCc1cccc(n1)F 2230a_100015188798_100000038162 [0,1,0,0,0,0|1,0,2]=4 3711 B12R1.28 C#CCNCc1cccc(n1)F 34a_100000212058_100009819644 [0,1,0,0,0,0|1,0,2]=4 3712 B12R1.28 C#CCNCc1cccc(n1)F 34a_100015188798_100000184674 [0,1,0,0,0,0|1,0,2]=4 3713 B12R1.28 C#CCOCc1cc(ccn1)Br 34a_100000210247_100010173614 [0,1,0,0,0,0|1,0,2]=4 3714 B12R1.28 C#CCOCc1cc(ccn1)C 34a_100000210247_100000718516 [0,1,0,0,0,0|1,0,2]=4 3715 B12R1.28 C#CCOCc1cc(ccn1)C 34a_100011998357_100000184674 [0,1,0,0,0,0|1,0,2]=4 3716 B12R1.28 C#CCOCc1cc(ccn1)Cl 34a_100000210247_100016988179 [0,1,0,0,0,0|1,0,2]=4 3717 B12R1.28 C#CCOCc1cc(ccn1)Cl 34a_100000748867_100000184674 [0,1,0,0,0,0|1,0,2]=4 3718 B12R1.28 C#CCOCc1cc(ccn1)N 34a_100000692640_100000184674 [0,1,0,0,0,0|1,0,2]=4 3719 B12R1.28 C#CCOCc1cccc(n1)Br 34a_100000210247_100009889011 [0,1,0,0,0,0|1,0,2]=4 3720 B12R1.28 C#CCOCc1cccc(n1)Br 34a_100000694195_100000184674 [0,1,0,0,0,0|1,0,2]=4 3721 B12R1.28 C#CCOCc1cccc(n1)C 34a_100000210247_100000757606 [0,1,0,0,0,0|1,0,2]=4 3722 B12R1.28 C#CCOCc1cccc(n1)C 34a_100000690600_100000184674 [0,1,0,0,0,0|1,0,2]=4 3723 B12R1.28 C#CCOCc1cccc(n1)Cl 34a_100000210247_100000086093 [0,1,0,0,0,0|1,0,2]=4 3724 B12R1.28 C#CCOCc1cccc(n1)Cl 34a_100011998359_100000184674 [0,1,0,0,0,0|1,0,2]=4 3725 B12R1.28 C#CCOCc1cccc(n1)F 34a_100000086748_100000184674 [0,1,0,0,0,0|1,0,2]=4 3726 B12R1.28 C#CCOCc1cccc(n1)F 34a_100000210247_100009819644 [0,1,0,0,0,0|1,0,2]=4 3727 B12R1.28 C#CCSCc1cc(ccn1)Br 62a_100000038162_100010173614 [0,1,0,0,0,0|1,0,2]=4 3728 B12R1.28 C#CCSCc1cc(ccn1)C 62a_100000038162_100000718516 [0,1,0,0,0,0|1,0,2]=4 3729 B12R1.28 C#CCSCc1cc(ccn1)Cl 62a_100000038162_100016988179 [0,1,0,0,0,0|1,0,2]=4 3730 B12R1.28 C#CCSCc1cccc(n1)Br 62a_100000038162_100009889011 [0,1,0,0,0,0|1,0,2]=4 3731 B12R1.28 C#CCSCc1cccc(n1)C 62a_100000038162_100000757606 [0,1,0,0,0,0|1,0,2]=4 3732 B12R1.28 C#CCSCc1cccc(n1)Cl 62a_100000038162_100000086093 [0,1,0,0,0,0|1,0,2]=4 3733 B12R1.28 C#CCSCc1cccc(n1)F 62a_100000038162_100009819644 [0,1,0,0,0,0|1,0,2]=4 3734 B12R1.28 C/C=C/COc1cccc(n1)F 34a_100011432558_100102629194 [0,1,0,0,0,0|1,0,2]=4 3735 B12R1.28 C/C=C/CSc1cc(ccn1)C 62a_100000750283_100102629194 [0,1,0,0,0,0|1,0,2]=4 3736 B12R1.28 C/C=C/CSc1cc(ccn1)C 62a_100102629194_100000750283 [0,1,0,0,0,0|1,0,2]=4 3737 B12R1.28 C/C=C/CSc1cc(ccn1)Cl 62a_100010167805_100102629194 [0,1,0,0,0,0|1,0,2]=4 3738 B12R1.28 C/C=C/CSc1cc(ccn1)Cl 62a_100102629194_100010167805 [0,1,0,0,0,0|1,0,2]=4 3739 B12R1.28 C/C=C/CSc1cc(ccn1)F 62a_100000764206_100102629194 [0,1,0,0,0,0|1,0,2]=4 3740 B12R1.28 C/C=C/CSc1cc(ccn1)F 62a_100102629194_100000764206 [0,1,0,0,0,0|1,0,2]=4 3741 B12R1.28 C/C=C/CSc1cc(ccn1)N 62a_100009814236_100102629194 [0,1,0,0,0,0|1,0,2]=4 3742 B12R1.28 C/C=C/CSc1cc(ccn1)N 62a_100102629194_100009814236 [0,1,0,0,0,0|1,0,2]=4 3743 B12R1.28 C/C=C/CSc1cc(ccn1)O 62a_100102629194_100000762945 [0,1,0,0,0,0|1,0,2]=4 3744 B12R1.28 C/C=C/CSc1cccc(n1)Br 62a_100000684672_100102629194 [0,1,0,0,0,0|1,0,2]=4 3745 B12R1.28 C/C=C/CSc1cccc(n1)Br 62a_100102629194_100000684672 [0,1,0,0,0,0|1,0,2]=4 3746 B12R1.28 C/C=C/CSc1cccc(n1)C 62a_100000742759_100102629194 [0,1,0,0,0,0|1,0,2]=4 3747 B12R1.28 C/C=C/CSc1cccc(n1)C 62a_100102629194_100000742759 [0,1,0,0,0,0|1,0,2]=4 3748 B12R1.28 C/C=C/CSc1cccc(n1)Cl 62a_100000051397_100102629194 [0,1,0,0,0,0|1,0,2]=4 3749 B12R1.28 C/C=C/CSc1cccc(n1)Cl 62a_100102629194_100000051397 [0,1,0,0,0,0|1,0,2]=4 3750 B12R1.28 C/C=C/CSc1cccc(n1)F 62a_100009815982_100102629194 [0,1,0,0,0,0|1,0,2]=4 3751 B12R1.28 C/C=C/CSc1cccc(n1)F 62a_100102629194_100009815982 [0,1,0,0,0,0|1,0,2]=4 3752 B12R1.28 C/C=C/CSc1cccc(n1)N 62a_100000740741_100102629194 [0,1,0,0,0,0|1,0,2]=4 3753 B12R1.28 C/C=C/CSc1cccc(n1)N 62a_100102629194_100000740741 [0,1,0,0,0,0|1,0,2]=4 3754 B12R1.28 C=CCCNc1cc(ccn1)F 27a_100015191253_100000764206 [0,1,0,0,0,0|1,0,2]=4 3755 B12R1.28 C=CCCNc1cccc(n1)F 27a_100015191253_100009815982 [0,1,0,0,0,0|1,0,2]=4 3756 B12R1.28 C=CCCOc1cccc(n1)F 34a_100011432558_100000754431 [0,1,0,0,0,0|1,0,2]=4 3757 B12R1.28 C=CCCSc1cc(ccn1)C 62a_100000750283_100000754431 [0,1,0,0,0,0|1,0,2]=4 3758 B12R1.28 C=CCCSc1cc(ccn1)C 62a_100000754431_100000750283 [0,1,0,0,0,0|1,0,2]=4 3759 B12R1.28 C=CCCSc1cc(ccn1)Cl 62a_100000754431_100010167805 [0,1,0,0,0,0|1,0,2]=4 3760 B12R1.28 C=CCCSc1cc(ccn1)Cl 62a_100010167805_100000754431 [0,1,0,0,0,0|1,0,2]=4 3761 B12R1.28 C=CCCSc1cc(ccn1)F 62a_100000754431_100000764206 [0,1,0,0,0,0|1,0,2]=4 3762 B12R1.28 C=CCCSc1cc(ccn1)F 62a_100000764206_100000754431 [0,1,0,0,0,0|1,0,2]=4 3763 B12R1.28 C=CCCSc1cc(ccn1)N 62a_100000754431_100009814236 [0,1,0,0,0,0|1,0,2]=4 3764 B12R1.28 C=CCCSc1cc(ccn1)N 62a_100009814236_100000754431 [0,1,0,0,0,0|1,0,2]=4 3765 B12R1.28 C=CCCSc1cc(ccn1)O 62a_100000754431_100000762945 [0,1,0,0,0,0|1,0,2]=4 3766 B12R1.28 C=CCCSc1cccc(n1)Br 62a_100000684672_100000754431 [0,1,0,0,0,0|1,0,2]=4 3767 B12R1.28 C=CCCSc1cccc(n1)Br 62a_100000754431_100000684672 [0,1,0,0,0,0|1,0,2]=4 3768 B12R1.28 C=CCCSc1cccc(n1)C 62a_100000742759_100000754431 [0,1,0,0,0,0|1,0,2]=4 3769 B12R1.28 C=CCCSc1cccc(n1)C 62a_100000754431_100000742759 [0,1,0,0,0,0|1,0,2]=4 3770 B12R1.28 C=CCCSc1cccc(n1)Cl 62a_100000051397_100000754431 [0,1,0,0,0,0|1,0,2]=4 3771 B12R1.28 C=CCCSc1cccc(n1)Cl 62a_100000754431_100000051397 [0,1,0,0,0,0|1,0,2]=4 3772 B12R1.28 C=CCCSc1cccc(n1)F 62a_100000754431_100009815982 [0,1,0,0,0,0|1,0,2]=4 3773 B12R1.28 C=CCCSc1cccc(n1)F 62a_100009815982_100000754431 [0,1,0,0,0,0|1,0,2]=4 3774 B12R1.28 C=CCCSc1cccc(n1)N 62a_100000740741_100000754431 [0,1,0,0,0,0|1,0,2]=4 3775 B12R1.28 C=CCCSc1cccc(n1)N 62a_100000754431_100000740741 [0,1,0,0,0,0|1,0,2]=4 3776 B12R1.28 C=CCNCc1cc(ccn1)Br 2230a_100020586998_100010173614 [0,1,0,0,0,0|1,0,2]=4 3777 B12R1.28 C=CCNCc1cc(ccn1)Br 270004a_100020586998_100009818557 [0,1,0,0,0,0|1,0,2]=4 3778 B12R1.28 C=CCNCc1cc(ccn1)C 2230a_100020586998_100000718516 [0,1,0,0,0,0|1,0,2]=4 3779 B12R1.28 C=CCNCc1cc(ccn1)C 270004a_100020586998_100011361488 [0,1,0,0,0,0|1,0,2]=4 3780 B12R1.28 C=CCNCc1cc(ccn1)Cl 2230a_100020586998_100016988179 [0,1,0,0,0,0|1,0,2]=4 3781 B12R1.28 C=CCNCc1cc(ccn1)Cl 270004a_100020586998_100011998288 [0,1,0,0,0,0|1,0,2]=4 3782 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100016987751_100000210623 [0,1,0,0,0,0|1,0,2]=4 3783 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100020586998_100009889011 [0,1,0,0,0,0|1,0,2]=4 3784 B12R1.28 C=CCNCc1cccc(n1)Br 270004a_100020586998_100000688028 [0,1,0,0,0,0|1,0,2]=4 3785 B12R1.28 C=CCNCc1cccc(n1)C 2230a_100020586998_100000757606 [0,1,0,0,0,0|1,0,2]=4 3786 B12R1.28 C=CCNCc1cccc(n1)C 270004a_100020586998_100011215050 [0,1,0,0,0,0|1,0,2]=4 3787 B12R1.28 C=CCNCc1cccc(n1)C 34a_100000701342_100015514636 [0,1,0,0,0,0|1,0,2]=4 3788 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100016990191_100000210623 [0,1,0,0,0,0|1,0,2]=4 3789 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100020586998_100000086093 [0,1,0,0,0,0|1,0,2]=4 3790 B12R1.28 C=CCNCc1cccc(n1)Cl 270004a_100020586998_100011361687 [0,1,0,0,0,0|1,0,2]=4 3791 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100015188798_100000210623 [0,1,0,0,0,0|1,0,2]=4 3792 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100020586998_100009819644 [0,1,0,0,0,0|1,0,2]=4 3793 B12R1.28 C=CCNCc1cccc(n1)F 270004a_100020586998_100000050434 [0,1,0,0,0,0|1,0,2]=4 3794 B12R1.28 C=CCNCc1cccc(n1)F 34a_100015188798_100015514636 [0,1,0,0,0,0|1,0,2]=4 3795 B12R1.28 C=CCOCc1cc(ccn1)Br 34a_200000210373_100010173614 [0,1,0,0,0,0|1,0,2]=4 3796 B12R1.28 C=CCOCc1cc(ccn1)C 34a_100011998357_100015514636 [0,1,0,0,0,0|1,0,2]=4 3797 B12R1.28 C=CCOCc1cc(ccn1)C 34a_200000210373_100000718516 [0,1,0,0,0,0|1,0,2]=4 3798 B12R1.28 C=CCOCc1cc(ccn1)Cl 34a_100000748867_100015514636 [0,1,0,0,0,0|1,0,2]=4 3799 B12R1.28 C=CCOCc1cc(ccn1)Cl 34a_200000210373_100016988179 [0,1,0,0,0,0|1,0,2]=4 3800 B12R1.28 C=CCOCc1cc(ccn1)N 34a_100000692640_100015514636 [0,1,0,0,0,0|1,0,2]=4 3801 B12R1.28 C=CCOCc1cccc(n1)Br 34a_100000694195_100015514636 [0,1,0,0,0,0|1,0,2]=4 3802 B12R1.28 C=CCOCc1cccc(n1)Br 34a_200000210373_100009889011 [0,1,0,0,0,0|1,0,2]=4 3803 B12R1.28 C=CCOCc1cccc(n1)C 34a_100000690600_100015514636 [0,1,0,0,0,0|1,0,2]=4 3804 B12R1.28 C=CCOCc1cccc(n1)C 34a_200000210373_100000757606 [0,1,0,0,0,0|1,0,2]=4 3805 B12R1.28 C=CCOCc1cccc(n1)Cl 34a_100011998359_100015514636 [0,1,0,0,0,0|1,0,2]=4 3806 B12R1.28 C=CCOCc1cccc(n1)Cl 34a_200000210373_100000086093 [0,1,0,0,0,0|1,0,2]=4 3807 B12R1.28 C=CCOCc1cccc(n1)F 34a_100000086748_100015514636 [0,1,0,0,0,0|1,0,2]=4 3808 B12R1.28 C=CCOCc1cccc(n1)F 34a_200000210373_100009819644 [0,1,0,0,0,0|1,0,2]=4 3809 B12R1.28 C=CCSCc1cc(ccn1)Br 62a_100000210623_100010173614 [0,1,0,0,0,0|1,0,2]=4 3810 B12R1.28 C=CCSCc1cc(ccn1)Br 62a_100010173614_100000210623 [0,1,0,0,0,0|1,0,2]=4 3811 B12R1.28 C=CCSCc1cc(ccn1)C 62a_100000210623_100000718516 [0,1,0,0,0,0|1,0,2]=4 3812 B12R1.28 C=CCSCc1cc(ccn1)C 62a_100000718516_100000210623 [0,1,0,0,0,0|1,0,2]=4 3813 B12R1.28 C=CCSCc1cc(ccn1)Cl 62a_100000210623_100016988179 [0,1,0,0,0,0|1,0,2]=4 3814 B12R1.28 C=CCSCc1cc(ccn1)Cl 62a_100016988179_100000210623 [0,1,0,0,0,0|1,0,2]=4 3815 B12R1.28 C=CCSCc1cccc(n1)Br 62a_100000210623_100009889011 [0,1,0,0,0,0|1,0,2]=4 3816 B12R1.28 C=CCSCc1cccc(n1)Br 62a_100009889011_100000210623 [0,1,0,0,0,0|1,0,2]=4 3817 B12R1.28 C=CCSCc1cccc(n1)C 62a_100000210623_100000757606 [0,1,0,0,0,0|1,0,2]=4 3818 B12R1.28 C=CCSCc1cccc(n1)C 62a_100000757606_100000210623 [0,1,0,0,0,0|1,0,2]=4 3819 B12R1.28 C=CCSCc1cccc(n1)Cl 62a_100000086093_100000210623 [0,1,0,0,0,0|1,0,2]=4 3820 B12R1.28 C=CCSCc1cccc(n1)Cl 62a_100000210623_100000086093 [0,1,0,0,0,0|1,0,2]=4 3821 B12R1.28 C=CCSCc1cccc(n1)F 62a_100000210623_100009819644 [0,1,0,0,0,0|1,0,2]=4 3822 B12R1.28 C=CCSCc1cccc(n1)F 62a_100009819644_100000210623 [0,1,0,0,0,0|1,0,2]=4 3823 B12R1.28 CC#CCNc1cc(ccn1)F 27a_100000685387_100000764206 [0,1,0,0,0,0|1,0,2]=4 3824 B12R1.28 CC#CCNc1cccc(n1)F 27a_100000685387_100009815982 [0,1,0,0,0,0|1,0,2]=4 3825 B12R1.28 CC#CCOc1cccc(n1)F 34a_100011432558_100000748600 [0,1,0,0,0,0|1,0,2]=4 3826 B12R1.28 CC#CCSc1cc(ccn1)C 62a_100000748600_100000750283 [0,1,0,0,0,0|1,0,2]=4 3827 B12R1.28 CC#CCSc1cc(ccn1)C 62a_100000750283_100000748600 [0,1,0,0,0,0|1,0,2]=4 3828 B12R1.28 CC#CCSc1cc(ccn1)Cl 62a_100000748600_100010167805 [0,1,0,0,0,0|1,0,2]=4 3829 B12R1.28 CC#CCSc1cc(ccn1)Cl 62a_100010167805_100000748600 [0,1,0,0,0,0|1,0,2]=4 3830 B12R1.28 CC#CCSc1cc(ccn1)F 62a_100000748600_100000764206 [0,1,0,0,0,0|1,0,2]=4 3831 B12R1.28 CC#CCSc1cc(ccn1)F 62a_100000764206_100000748600 [0,1,0,0,0,0|1,0,2]=4 3832 B12R1.28 CC#CCSc1cc(ccn1)N 62a_100000748600_100009814236 [0,1,0,0,0,0|1,0,2]=4 3833 B12R1.28 CC#CCSc1cc(ccn1)N 62a_100009814236_100000748600 [0,1,0,0,0,0|1,0,2]=4 3834 B12R1.28 CC#CCSc1cc(ccn1)O 62a_100000748600_100000762945 [0,1,0,0,0,0|1,0,2]=4 3835 B12R1.28 CC#CCSc1cccc(n1)Br 62a_100000684672_100000748600 [0,1,0,0,0,0|1,0,2]=4 3836 B12R1.28 CC#CCSc1cccc(n1)Br 62a_100000748600_100000684672 [0,1,0,0,0,0|1,0,2]=4 3837 B12R1.28 CC#CCSc1cccc(n1)C 62a_100000742759_100000748600 [0,1,0,0,0,0|1,0,2]=4 3838 B12R1.28 CC#CCSc1cccc(n1)C 62a_100000748600_100000742759 [0,1,0,0,0,0|1,0,2]=4 3839 B12R1.28 CC#CCSc1cccc(n1)Cl 62a_100000051397_100000748600 [0,1,0,0,0,0|1,0,2]=4 3840 B12R1.28 CC#CCSc1cccc(n1)Cl 62a_100000748600_100000051397 [0,1,0,0,0,0|1,0,2]=4 3841 B12R1.28 CC#CCSc1cccc(n1)F 62a_100000748600_100009815982 [0,1,0,0,0,0|1,0,2]=4 3842 B12R1.28 CC#CCSc1cccc(n1)F 62a_100009815982_100000748600 [0,1,0,0,0,0|1,0,2]=4 3843 B12R1.28 CC#CCSc1cccc(n1)N 62a_100000740741_100000748600 [0,1,0,0,0,0|1,0,2]=4 3844 B12R1.28 CC#CCSc1cccc(n1)N 62a_100000748600_100000740741 [0,1,0,0,0,0|1,0,2]=4 3845 B12R1.28 CC=CCOc1cccc(n1)F 34a_100011432558_100000070051 [0,1,0,0,0,0|1,0,2]=4 3846 B12R1.28 CC=CCSc1cc(ccn1)C 62a_100000070051_100000750283 [0,1,0,0,0,0|1,0,2]=4 3847 B12R1.28 CC=CCSc1cc(ccn1)C 62a_100000750283_100000070051 [0,1,0,0,0,0|1,0,2]=4 3848 B12R1.28 CC=CCSc1cc(ccn1)Cl 62a_100000070051_100010167805 [0,1,0,0,0,0|1,0,2]=4 3849 B12R1.28 CC=CCSc1cc(ccn1)Cl 62a_100010167805_100000070051 [0,1,0,0,0,0|1,0,2]=4 3850 B12R1.28 CC=CCSc1cc(ccn1)F 62a_100000070051_100000764206 [0,1,0,0,0,0|1,0,2]=4 3851 B12R1.28 CC=CCSc1cc(ccn1)F 62a_100000764206_100000070051 [0,1,0,0,0,0|1,0,2]=4 3852 B12R1.28 CC=CCSc1cc(ccn1)N 62a_100000070051_100009814236 [0,1,0,0,0,0|1,0,2]=4 3853 B12R1.28 CC=CCSc1cc(ccn1)N 62a_100009814236_100000070051 [0,1,0,0,0,0|1,0,2]=4 3854 B12R1.28 CC=CCSc1cc(ccn1)O 62a_100000070051_100000762945 [0,1,0,0,0,0|1,0,2]=4 3855 B12R1.28 CC=CCSc1cccc(n1)Br 62a_100000070051_100000684672 [0,1,0,0,0,0|1,0,2]=4 3856 B12R1.28 CC=CCSc1cccc(n1)Br 62a_100000684672_100000070051 [0,1,0,0,0,0|1,0,2]=4 3857 B12R1.28 CC=CCSc1cccc(n1)C 62a_100000070051_100000742759 [0,1,0,0,0,0|1,0,2]=4 3858 B12R1.28 CC=CCSc1cccc(n1)C 62a_100000742759_100000070051 [0,1,0,0,0,0|1,0,2]=4 3859 B12R1.28 CC=CCSc1cccc(n1)Cl 62a_100000051397_100000070051 [0,1,0,0,0,0|1,0,2]=4 3860 B12R1.28 CC=CCSc1cccc(n1)Cl 62a_100000070051_100000051397 [0,1,0,0,0,0|1,0,2]=4 3861 B12R1.28 CC=CCSc1cccc(n1)F 62a_100000070051_100009815982 [0,1,0,0,0,0|1,0,2]=4 3862 B12R1.28 CC=CCSc1cccc(n1)F 62a_100009815982_100000070051 [0,1,0,0,0,0|1,0,2]=4 3863 B12R1.28 CC=CCSc1cccc(n1)N 62a_100000070051_100000740741 [0,1,0,0,0,0|1,0,2]=4 3864 B12R1.28 CC=CCSc1cccc(n1)N 62a_100000740741_100000070051 [0,1,0,0,0,0|1,0,2]=4 3865 B12R1.28 CCC=NNc1cc(ccn1)Br 4a_100000764631_100000210100 [0,1,0,0,0,0|2,0,1]=4 3866 B12R1.28 CCC=NNc1cc(ccn1)C 4a_100000746014_100000210100 [0,1,0,0,0,0|2,0,1]=4 3867 B12R1.28 CCC=NNc1cc(ccn1)Cl 4a_100102524961_100000210100 [0,1,0,0,0,0|2,0,1]=4 3868 B12R1.28 CCC=NNc1cc(ccn1)I 4a_100010221011_100000210100 [0,1,0,0,0,0|2,0,1]=4 3869 B12R1.28 CCC=NNc1cccc(n1)Br 4a_100009817029_100000210100 [0,1,0,0,0,0|2,0,1]=4 3870 B12R1.28 CCC=NNc1cccc(n1)C 4a_100011363444_100000210100 [0,1,0,0,0,0|2,0,1]=4 3871 B12R1.28 CCC=NNc1cccc(n1)Cl 4a_100102524919_100000210100 [0,1,0,0,0,0|2,0,1]=4 3872 B12R1.28 CCC=NNc1cccc(n1)F 4a_100000075452_100000210100 [0,1,0,0,0,0|2,0,1]=4 3873 B12R1.28 CCCC=Cc1c[n+](ccn1)[O-] 271570a_100016258520_100009880115 [0,1,0,0,0,0|1,0,2]=4 3874 B12R1.28 CCCC=Cc1cc(ccn1)C 271570a_100016258520_100000750283 [0,1,0,0,0,0|0,0,2]=3 3875 B12R1.28 CCCC=Cc1cc(ccn1)Cl 271570a_100016258520_100010167805 [0,1,0,0,0,0|0,0,2]=3 3876 B12R1.28 CCCC=Cc1cc(ccn1)F 271570a_100016258520_100009817058 [0,1,0,0,0,0|0,0,2]=3 3877 B12R1.28 CCCC=Cc1cc(ccn1)N 271570a_100016258520_100009814236 [0,1,0,0,0,0|0,0,2]=3 3878 B12R1.28 CCCC=Cc1cc(ccn1)O 271570a_100016258520_100000762945 [0,1,0,0,0,0|0,0,2]=3 3879 B12R1.28 CCCC=Cc1cc(cnn1)C 271570a_100016258520_100000070100 [0,1,0,0,0,0|1,0,2]=4 3880 B12R1.28 CCCC=Cc1cc(cnn1)O 271570a_100016258520_200010734679 [0,1,0,0,0,0|1,0,2]=4 3881 B12R1.28 CCCC=Cc1cc(ncn1)C 271570a_100016258520_100000744208 [0,1,0,0,0,0|1,0,2]=4 3882 B12R1.28 CCCC=Cc1cc(ncn1)F 271570a_100016258520_200009880791 [0,1,0,0,0,0|1,0,2]=4 3883 B12R1.28 CCCC=Cc1cc(ncn1)N 271570a_100016258520_100000701291 [0,1,0,0,0,0|1,0,2]=4 3884 B12R1.28 CCCC=Cc1cc(ncn1)O 271570a_100016258520_100000765262 [0,1,0,0,0,0|1,0,2]=4 3885 B12R1.28 CCCC=Cc1cc[nH]c(=O)n1 271570a_100016258520_200000134032 [0,1,0,0,0,0|1,0,2]=4 3886 B12R1.28 CCCC=Cc1cccc(=O)[nH]1 271570a_100016258520_100000761760 [0,1,0,0,0,0|0,0,3]=4 3887 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [0,1,0,0,0,0|1,0,2]=4 3888 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [0,1,0,0,0,0|1,0,2]=4 3889 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [0,1,0,0,0,0|1,0,2]=4 3890 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [0,1,0,0,0,0|1,0,2]=4 3891 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [0,1,0,0,0,0|1,0,2]=4 3892 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [0,1,0,0,0,0|1,0,2]=4 3893 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [0,1,0,0,0,0|1,0,2]=4 3894 B12R1.28 CCCC=Cc1cccc(n1)Br 271570a_100016258520_100000684672 [0,1,0,0,0,0|0,0,2]=3 3895 B12R1.28 CCCC=Cc1cccc(n1)C 271570a_100016258520_100000742759 [0,1,0,0,0,0|0,0,2]=3 3896 B12R1.28 CCCC=Cc1cccc(n1)F 271570a_100016258520_100009815982 [0,1,0,0,0,0|0,0,2]=3 3897 B12R1.28 CCCC=Cc1cccc(n1)N 271570a_100016258520_100000740741 [0,1,0,0,0,0|0,0,2]=3 3898 B12R1.28 CCCC=Cc1ccnc(n1)C 271570a_100016258520_100000749937 [0,1,0,0,0,0|1,0,2]=4 3899 B12R1.28 CCCC=Cc1ccnc(n1)N 271570a_100016258520_100009820717 [0,1,0,0,0,0|1,0,2]=4 3900 B12R1.28 CCCC=Cc1cncc(n1)C 271570a_100016258520_100009842155 [0,1,0,0,0,0|1,0,2]=4 3901 B12R1.28 CCCC=Cc1cncc(n1)F 271570a_100016258520_200009863489 [0,1,0,0,0,0|1,0,2]=4 3902 B12R1.28 CCCC=Cc1cncc(n1)N 271570a_100016258520_100009819714 [0,1,0,0,0,0|1,0,2]=4 3903 B12R1.28 CCCC=Cc1cncc(n1)O 271570a_100016258520_100011269956 [0,1,0,0,0,0|1,0,2]=4 3904 B12R1.28 CCCC=Cc1nccc(n1)C 271570a_100016258520_100011243806 [0,1,0,0,0,0|1,0,2]=4 3905 B12R1.28 CCCC=Cc1nccc(n1)N 271570a_100016258520_100000757536 [0,1,0,0,0,0|1,0,2]=4 3906 B12R1.28 CCCC=Cc1nccc(n1)O 271570a_100016258520_100011649813 [0,1,0,0,0,0|1,0,2]=4 3907 B12R1.28 CCCCNc1c[n+](ccn1)[O-] 27a_100000102301_100009880115 [0,1,0,0,0,0|2,0,0]=3 3908 B12R1.28 CCCCNc1cc(ccn1)F 27a_100000102301_100000764206 [0,1,0,0,0,0|1,0,0]=2 3909 B12R1.28 CCCCNc1cc(cnn1)C 27a_100000102301_100000070100 [0,1,0,0,0,0|2,0,0]=3 3910 B12R1.28 CCCCNc1cc(ncn1)C 27a_100000102301_100000744208 [0,1,0,0,0,0|2,0,0]=3 3911 B12R1.28 CCCCNc1cc(ncn1)F 27a_100000102301_200009880791 [0,1,0,0,0,0|2,0,0]=3 3912 B12R1.28 CCCCNc1cc(ncn1)N 27a_100000102301_100000701291 [0,1,0,0,0,0|2,0,0]=3 3913 B12R1.28 CCCCNc1cc(ncn1)O 271570a_203496583355_200011210052 [0,1,0,0,0,0|2,0,0]=3 3914 B12R1.28 CCCCNc1cc(ncn1)O 27a_100000102301_100000765262 [0,1,0,0,0,0|2,0,0]=3 3915 B12R1.28 CCCCNc1cc[nH]c(=O)c1 27a_100000102301_100000061649 [0,1,0,0,0,0|3,0,0]=4 3916 B12R1.28 CCCCNc1cc[nH]c(=O)n1 27a_100000102301_200000134032 [0,1,0,0,0,0|2,0,0]=3 3917 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [0,1,0,0,0,0|2,0,0]=3 3918 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [0,1,0,0,0,0|2,0,0]=3 3919 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [0,1,0,0,0,0|2,0,0]=3 3920 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [0,1,0,0,0,0|2,0,0]=3 3921 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [0,1,0,0,0,0|2,0,0]=3 3922 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [0,1,0,0,0,0|2,0,0]=3 3923 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,1,0,0,0,0|2,0,0]=3 3924 B12R1.28 CCCCNc1cccc(n1)F 27a_100000102301_100009815982 [0,1,0,0,0,0|1,0,0]=2 3925 B12R1.28 CCCCNc1ccnc(c1)C 27a_100000102301_100000758586 [0,1,0,0,0,0|3,0,0]=4 3926 B12R1.28 CCCCNc1ccnc(c1)F 27a_100000102301_100009816116 [0,1,0,0,0,0|3,0,0]=4 3927 B12R1.28 CCCCNc1ccnc(n1)C 27a_100000102301_100000749937 [0,1,0,0,0,0|2,0,0]=3 3928 B12R1.28 CCCCNc1ccnc(n1)N 27a_100000102301_100000055538 [0,1,0,0,0,0|2,0,0]=3 3929 B12R1.28 CCCCNc1cncc(n1)C 27a_100000102301_100000754123 [0,1,0,0,0,0|2,0,0]=3 3930 B12R1.28 CCCCNc1cncc(n1)Cl 27a_100000102301_100010892449 [0,1,0,0,0,0|2,0,0]=3 3931 B12R1.28 CCCCNc1cncc(n1)F 27a_100000102301_200009863489 [0,1,0,0,0,0|2,0,0]=3 3932 B12R1.28 CCCCNc1cncc(n1)O 271570a_203496583355_200011210053 [0,1,0,0,0,0|2,0,0]=3 3933 B12R1.28 CCCCNc1nccc(n1)C 27a_100000102301_100000750684 [0,1,0,0,0,0|2,0,0]=3 3934 B12R1.28 CCCCNc1nccc(n1)N 27a_100000102301_100000757536 [0,1,0,0,0,0|2,0,0]=3 3935 B12R1.28 CCCCNc1nccc(n1)O 27a_100000102301_100011649813 [0,1,0,0,0,0|2,0,0]=3 3936 B12R1.28 CCCCNc1ncnc(n1)N 27a_100000102301_100000123831 [0,1,0,0,0,0|3,0,0]=4 3937 B12R1.28 CCCCOc1cc(cnn1)C 34a_100000766097_100000210210 [0,1,0,0,0,0|2,0,0]=3 3938 B12R1.28 CCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210210 [0,1,0,0,0,0|3,0,0]=4 3939 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210210 [0,1,0,0,0,0|3,0,0]=4 3940 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210211 [0,1,0,0,0,0|3,0,0]=4 3941 B12R1.28 CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210210 [0,1,0,0,0,0|1,0,1]=3 3942 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,1,0,0,0,0|2,0,0]=3 3943 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,1,0,0,0,0|2,0,0]=3 3944 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,1,0,0,0,0|2,0,0]=3 3945 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,1,0,0,0,0|2,0,0]=3 3946 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,1,0,0,0,0|2,0,0]=3 3947 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,1,0,0,0,0|2,0,0]=3 3948 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,1,0,0,0,0|2,0,0]=3 3949 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,1,0,0,0,0|2,0,0]=3 3950 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,1,0,0,0,0|2,0,0]=3 3951 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,1,0,0,0,0|2,0,0]=3 3952 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,1,0,0,0,0|2,0,0]=3 3953 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,1,0,0,0,0|2,0,0]=3 3954 B12R1.28 CCCCOc1cccc(n1)F 34a_100011432558_100000210210 [0,1,0,0,0,0|1,0,0]=2 3955 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,1,0,0,0,0|1,0,0]=2 3956 B12R1.28 CCCCOc1ccnc(c1)C 34a_100000688365_100000210210 [0,1,0,0,0,0|3,0,0]=4 3957 B12R1.28 CCCCOc1ccnc(c1)Cl 34a_100000762945_100000210210 [0,1,0,0,0,0|3,0,0]=4 3958 B12R1.28 CCCCOc1ccnc(c1)F 34a_100000732698_100000210210 [0,1,0,0,0,0|3,0,0]=4 3959 B12R1.28 CCCCOc1ccnc(c1)N 34a_100011834064_100000210210 [0,1,0,0,0,0|3,0,0]=4 3960 B12R1.28 CCCCOc1cncc(c1)Br 34a_100000754920_100000210210 [0,1,0,0,0,0|3,0,0]=4 3961 B12R1.28 CCCCOc1cncc(c1)Br 7a_100000754920_100000210211 [0,1,0,0,0,0|3,0,0]=4 3962 B12R1.28 CCCCOc1cncc(c1)C 34a_100011830280_100000210210 [0,1,0,0,0,0|3,0,0]=4 3963 B12R1.28 CCCCOc1cncc(c1)C 7a_100011830280_100000210211 [0,1,0,0,0,0|3,0,0]=4 3964 B12R1.28 CCCCOc1cncc(c1)Cl 7a_100000032511_100000210211 [0,1,0,0,0,0|3,0,0]=4 3965 B12R1.28 CCCCOc1cncc(c1)F 34a_100011830296_100000210210 [0,1,0,0,0,0|3,0,0]=4 3966 B12R1.28 CCCCOc1cncc(c1)F 7a_100011830296_100000210211 [0,1,0,0,0,0|3,0,0]=4 3967 B12R1.28 CCCCOc1cncc(c1)N 34a_100011997051_100000210210 [0,1,0,0,0,0|3,0,0]=4 3968 B12R1.28 CCCCSc1c[n+](ccn1)[O-] 62a_100000210211_100009880115 [0,1,0,0,0,0|2,0,0]=3 3969 B12R1.28 CCCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210210 [0,1,0,0,0,0|2,0,0]=3 3970 B12R1.28 CCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210210 [0,1,0,0,0,0|1,0,1]=3 3971 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000210211_100000750283 [0,1,0,0,0,0|1,0,0]=2 3972 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000750283_100000210210 [0,1,0,0,0,0|1,0,0]=2 3973 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100000210211_100010167805 [0,1,0,0,0,0|1,0,0]=2 3974 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100010167805_100000210210 [0,1,0,0,0,0|1,0,0]=2 3975 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000210211_100000764206 [0,1,0,0,0,0|1,0,0]=2 3976 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000764206_100000210210 [0,1,0,0,0,0|1,0,0]=2 3977 B12R1.28 CCCCSc1cc(ccn1)N 62a_100000210211_100009814236 [0,1,0,0,0,0|1,0,0]=2 3978 B12R1.28 CCCCSc1cc(ccn1)N 62a_100009814236_100000210210 [0,1,0,0,0,0|1,0,0]=2 3979 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [0,1,0,0,0,0|1,0,0]=2 3980 B12R1.28 CCCCSc1cc(cnn1)C 62a_100000070100_100000210210 [0,1,0,0,0,0|2,0,0]=3 3981 B12R1.28 CCCCSc1cc(cnn1)C 62a_100000210211_100000070100 [0,1,0,0,0,0|2,0,0]=3 3982 B12R1.28 CCCCSc1cc(cnn1)N 62a_100000210211_100011996757 [0,1,0,0,0,0|2,0,0]=3 3983 B12R1.28 CCCCSc1cc(cnn1)N 62a_100011996757_100000210210 [0,1,0,0,0,0|2,0,0]=3 3984 B12R1.28 CCCCSc1cc(cnn1)O 62a_100000210211_200010734679 [0,1,0,0,0,0|2,0,0]=3 3985 B12R1.28 CCCCSc1cc(ncn1)C 62a_100000210211_100000744208 [0,1,0,0,0,0|2,0,0]=3 3986 B12R1.28 CCCCSc1cc(ncn1)C 62a_100000744208_100000210210 [0,1,0,0,0,0|2,0,0]=3 3987 B12R1.28 CCCCSc1cc(ncn1)Cl 62a_100000210211_100010161198 [0,1,0,0,0,0|2,0,0]=3 3988 B12R1.28 CCCCSc1cc(ncn1)Cl 62a_100010161198_100000210210 [0,1,0,0,0,0|2,0,0]=3 3989 B12R1.28 CCCCSc1cc(ncn1)F 62a_100000210211_200009880791 [0,1,0,0,0,0|2,0,0]=3 3990 B12R1.28 CCCCSc1cc(ncn1)F 62a_200009880791_100000210210 [0,1,0,0,0,0|2,0,0]=3 3991 B12R1.28 CCCCSc1cc(ncn1)N 62a_100000210211_100000701291 [0,1,0,0,0,0|2,0,0]=3 3992 B12R1.28 CCCCSc1cc(ncn1)N 62a_100000701291_100000210210 [0,1,0,0,0,0|2,0,0]=3 3993 B12R1.28 CCCCSc1cc(ncn1)O 62a_100000210211_100000765262 [0,1,0,0,0,0|2,0,0]=3 3994 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100000210211_100009816521 [0,1,0,0,0,0|3,0,0]=4 3995 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210210 [0,1,0,0,0,0|3,0,0]=4 3996 B12R1.28 CCCCSc1cc[nH]c(=O)n1 62a_100000210211_200000134032 [0,1,0,0,0,0|2,0,0]=3 3997 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100000210211_100009996589 [0,1,0,0,0,0|3,0,0]=4 3998 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100009996589_100000210210 [0,1,0,0,0,0|3,0,0]=4 3999 B12R1.28 CCCCSc1ccc[n+](c1)[O-] 62a_100000210211_100009815978 [0,1,0,0,0,0|3,0,0]=4 4000 B12R1.28 CCCCSc1cccc(=O)[nH]1 62a_100000210211_100000752884 [0,1,0,0,0,0|1,0,1]=3 4001 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [0,1,0,0,0,0|2,0,0]=3 4002 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [0,1,0,0,0,0|2,0,0]=3 4003 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [0,1,0,0,0,0|2,0,0]=3 4004 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [0,1,0,0,0,0|2,0,0]=3 4005 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [0,1,0,0,0,0|2,0,0]=3 4006 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [0,1,0,0,0,0|2,0,0]=3 4007 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [0,1,0,0,0,0|2,0,0]=3 4008 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [0,1,0,0,0,0|2,0,0]=3 4009 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [0,1,0,0,0,0|2,0,0]=3 4010 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [0,1,0,0,0,0|2,0,0]=3 4011 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,1,0,0,0,0|2,0,0]=3 4012 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,1,0,0,0,0|2,0,0]=3 4013 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [0,1,0,0,0,0|2,0,0]=3 4014 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [0,1,0,0,0,0|2,0,0]=3 4015 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000210211_100000684672 [0,1,0,0,0,0|1,0,0]=2 4016 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000684672_100000210210 [0,1,0,0,0,0|1,0,0]=2 4017 B12R1.28 CCCCSc1cccc(n1)C 62a_100000210211_100000742759 [0,1,0,0,0,0|1,0,0]=2 4018 B12R1.28 CCCCSc1cccc(n1)C 62a_100000742759_100000210210 [0,1,0,0,0,0|1,0,0]=2 4019 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000051397_100000210210 [0,1,0,0,0,0|1,0,0]=2 4020 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000210211_100000051397 [0,1,0,0,0,0|1,0,0]=2 4021 B12R1.28 CCCCSc1cccc(n1)F 62a_100000210211_100009815982 [0,1,0,0,0,0|1,0,0]=2 4022 B12R1.28 CCCCSc1cccc(n1)F 62a_100009815982_100000210210 [0,1,0,0,0,0|1,0,0]=2 4023 B12R1.28 CCCCSc1cccc(n1)N 62a_100000210211_100000740741 [0,1,0,0,0,0|1,0,0]=2 4024 B12R1.28 CCCCSc1cccc(n1)N 62a_100000740741_100000210210 [0,1,0,0,0,0|1,0,0]=2 4025 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100000210211_100009814637 [0,1,0,0,0,0|3,0,0]=4 4026 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100009814637_100000210210 [0,1,0,0,0,0|3,0,0]=4 4027 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000210211_100000758586 [0,1,0,0,0,0|3,0,0]=4 4028 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000758586_100000210210 [0,1,0,0,0,0|3,0,0]=4 4029 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000035001_100000210210 [0,1,0,0,0,0|3,0,0]=4 4030 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000210211_100000035001 [0,1,0,0,0,0|3,0,0]=4 4031 B12R1.28 CCCCSc1ccnc(c1)F 62a_100000210211_100009816116 [0,1,0,0,0,0|3,0,0]=4 4032 B12R1.28 CCCCSc1ccnc(c1)F 62a_100009816116_100000210210 [0,1,0,0,0,0|3,0,0]=4 4033 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000049665_100000210210 [0,1,0,0,0,0|3,0,0]=4 4034 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000210211_100000049665 [0,1,0,0,0,0|3,0,0]=4 4035 B12R1.28 CCCCSc1ccnc(n1)C 62a_100000210211_100000749937 [0,1,0,0,0,0|2,0,0]=3 4036 B12R1.28 CCCCSc1ccnc(n1)C 62a_100000749937_100000210210 [0,1,0,0,0,0|2,0,0]=3 4037 B12R1.28 CCCCSc1ccnc(n1)Cl 62a_100000210211_100010154678 [0,1,0,0,0,0|2,0,0]=3 4038 B12R1.28 CCCCSc1ccnc(n1)Cl 62a_100010154678_100000210210 [0,1,0,0,0,0|2,0,0]=3 4039 B12R1.28 CCCCSc1ccnc(n1)N 62a_100000055538_100000210210 [0,1,0,0,0,0|2,0,0]=3 4040 B12R1.28 CCCCSc1ccnc(n1)N 62a_100000210211_100000055538 [0,1,0,0,0,0|2,0,0]=3 4041 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000210211_100000728054 [0,1,0,0,0,0|3,0,0]=4 4042 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000728054_100000210210 [0,1,0,0,0,0|3,0,0]=4 4043 B12R1.28 CCCCSc1cncc(c1)C 62a_100000210211_100000760492 [0,1,0,0,0,0|3,0,0]=4 4044 B12R1.28 CCCCSc1cncc(c1)C 62a_100000760492_100000210210 [0,1,0,0,0,0|3,0,0]=4 4045 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000049639_100000210210 [0,1,0,0,0,0|3,0,0]=4 4046 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000210211_100000049639 [0,1,0,0,0,0|3,0,0]=4 4047 B12R1.28 CCCCSc1cncc(c1)F 62a_100000210211_100000744099 [0,1,0,0,0,0|3,0,0]=4 4048 B12R1.28 CCCCSc1cncc(c1)F 62a_100000744099_100000210210 [0,1,0,0,0,0|3,0,0]=4 4049 B12R1.28 CCCCSc1cncc(c1)N 62a_100000210211_100000687067 [0,1,0,0,0,0|3,0,0]=4 4050 B12R1.28 CCCCSc1cncc(c1)N 62a_100000687067_100000210210 [0,1,0,0,0,0|3,0,0]=4 4051 B12R1.28 CCCCSc1cncc(c1)O 62a_100000210211_100000754920 [0,1,0,0,0,0|3,0,0]=4 4052 B12R1.28 CCCCSc1cncc(c1)O 62a_100000754920_100000210210 [0,1,0,0,0,0|3,0,0]=4 4053 B12R1.28 CCCCSc1cncc(n1)C 62a_100000210211_100000754123 [0,1,0,0,0,0|2,0,0]=3 4054 B12R1.28 CCCCSc1cncc(n1)C 62a_100000754123_100000210210 [0,1,0,0,0,0|2,0,0]=3 4055 B12R1.28 CCCCSc1cncc(n1)Cl 62a_100000210211_100010892449 [0,1,0,0,0,0|2,0,0]=3 4056 B12R1.28 CCCCSc1cncc(n1)Cl 62a_100010892449_100000210210 [0,1,0,0,0,0|2,0,0]=3 4057 B12R1.28 CCCCSc1cncc(n1)F 62a_100000210211_200009863489 [0,1,0,0,0,0|2,0,0]=3 4058 B12R1.28 CCCCSc1cncc(n1)F 62a_200009863489_100000210210 [0,1,0,0,0,0|2,0,0]=3 4059 B12R1.28 CCCCSc1cncc(n1)N 62a_100000210211_100000747728 [0,1,0,0,0,0|2,0,0]=3 4060 B12R1.28 CCCCSc1cncc(n1)N 62a_100000747728_100000210210 [0,1,0,0,0,0|2,0,0]=3 4061 B12R1.28 CCCCSc1cncc(n1)O 62a_100000210211_100011269956 [0,1,0,0,0,0|2,0,0]=3 4062 B12R1.28 CCCCSc1nccc(n1)C 62a_100000210211_100011243806 [0,1,0,0,0,0|2,0,0]=3 4063 B12R1.28 CCCCSc1nccc(n1)C 62a_100011243806_100000210210 [0,1,0,0,0,0|2,0,0]=3 4064 B12R1.28 CCCCSc1nccc(n1)N 62a_100000210211_100000757536 [0,1,0,0,0,0|2,0,0]=3 4065 B12R1.28 CCCCSc1nccc(n1)N 62a_100000757536_100000210210 [0,1,0,0,0,0|2,0,0]=3 4066 B12R1.28 CCCCSc1nccc(n1)O 62a_100000210211_100011649813 [0,1,0,0,0,0|2,0,0]=3 4067 B12R1.28 CCCCSc1ncnc(n1)N 62a_100000123831_100000210210 [0,1,0,0,0,0|3,0,0]=4 4068 B12R1.28 CCCCSc1ncnc(n1)N 62a_100000210211_100000123831 [0,1,0,0,0,0|3,0,0]=4 4069 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [0,1,0,0,0,0|1,0,0]=2 4070 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [0,1,0,0,0,0|1,0,0]=2 4071 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [0,1,0,0,0,0|1,0,0]=2 4072 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [0,1,0,0,0,0|1,0,0]=2 4073 B12R1.28 CCCNCc1cccc(=O)[nH]1 207a_100020643023_100011935257 [0,1,0,0,0,0|1,0,1]=3 4074 B12R1.28 CCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210303 [0,1,0,0,0,0|1,0,1]=3 4075 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,1,0,0,0,0|2,0,0]=3 4076 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,1,0,0,0,0|2,0,0]=3 4077 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,1,0,0,0,0|2,0,0]=3 4078 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,1,0,0,0,0|2,0,0]=3 4079 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,1,0,0,0,0|2,0,0]=3 4080 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,1,0,0,0,0|2,0,0]=3 4081 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,1,0,0,0,0|2,0,0]=3 4082 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,1,0,0,0,0|2,0,0]=3 4083 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,1,0,0,0,0|2,0,0]=3 4084 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,1,0,0,0,0|2,0,0]=3 4085 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,1,0,0,0,0|2,0,0]=3 4086 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,1,0,0,0,0|2,0,0]=3 4087 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,1,0,0,0,0|2,0,0]=3 4088 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,1,0,0,0,0|2,0,0]=3 4089 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,1,0,0,0,0|2,0,0]=3 4090 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,1,0,0,0,0|2,0,0]=3 4091 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,1,0,0,0,0|2,0,0]=3 4092 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,1,0,0,0,0|2,0,0]=3 4093 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,1,0,0,0,0|2,0,0]=3 4094 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,1,0,0,0,0|2,0,0]=3 4095 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,1,0,0,0,0|2,0,0]=3 4096 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,1,0,0,0,0|2,0,0]=3 4097 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,1,0,0,0,0|2,0,0]=3 4098 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,1,0,0,0,0|2,0,0]=3 4099 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,1,0,0,0,0|2,0,0]=3 4100 B12R1.28 CCCNCc1cccc(n1)Br 2230a_100016987751_100000210303 [0,1,0,0,0,0|1,0,0]=2 4101 B12R1.28 CCCNCc1cccc(n1)Br 270004a_100020643023_100000688028 [0,1,0,0,0,0|1,0,0]=2 4102 B12R1.28 CCCNCc1cccc(n1)C 207a_100020643023_100011215050 [0,1,0,0,0,0|1,0,0]=2 4103 B12R1.28 CCCNCc1cccc(n1)C 270004a_100020643023_100011215050 [0,1,0,0,0,0|1,0,0]=2 4104 B12R1.28 CCCNCc1cccc(n1)C 34a_100000701342_100000210303 [0,1,0,0,0,0|1,0,0]=2 4105 B12R1.28 CCCNCc1cccc(n1)Cl 2230a_100016990191_100000210303 [0,1,0,0,0,0|1,0,0]=2 4106 B12R1.28 CCCNCc1cccc(n1)Cl 270004a_100020643023_100011361687 [0,1,0,0,0,0|1,0,0]=2 4107 B12R1.28 CCCNCc1cccc(n1)F 2230a_100015188798_100000210303 [0,1,0,0,0,0|1,0,0]=2 4108 B12R1.28 CCCNCc1cccc(n1)F 270004a_100020643023_100000050434 [0,1,0,0,0,0|1,0,0]=2 4109 B12R1.28 CCCNCc1cccc(n1)F 34a_100015188798_100000210303 [0,1,0,0,0,0|1,0,0]=2 4110 B12R1.28 CCCNCc1ccnc(c1)Br 2230a_100025757509_100000210303 [0,1,0,0,0,0|3,0,0]=4 4111 B12R1.28 CCCNCc1ccnc(c1)Br 270004a_100020643023_100009814634 [0,1,0,0,0,0|3,0,0]=4 4112 B12R1.28 CCCNCc1ccnc(c1)Br 34a_100025757509_100000210303 [0,1,0,0,0,0|3,0,0]=4 4113 B12R1.28 CCCNCc1ccnc(c1)C 207a_100020643023_100011361630 [0,1,0,0,0,0|3,0,0]=4 4114 B12R1.28 CCCNCc1ccnc(c1)C 270004a_100020643023_100011361630 [0,1,0,0,0,0|3,0,0]=4 4115 B12R1.28 CCCNCc1ccnc(c1)C 34a_100011934566_100000210303 [0,1,0,0,0,0|3,0,0]=4 4116 B12R1.28 CCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210303 [0,1,0,0,0,0|3,0,0]=4 4117 B12R1.28 CCCNCc1ccnc(c1)Cl 270004a_100020643023_100011290808 [0,1,0,0,0,0|3,0,0]=4 4118 B12R1.28 CCCNCc1ccnc(c1)Cl 34a_100015205668_100000210303 [0,1,0,0,0,0|3,0,0]=4 4119 B12R1.28 CCCNCc1ccnc(c1)F 2230a_100015188774_100000210303 [0,1,0,0,0,0|3,0,0]=4 4120 B12R1.28 CCCNCc1ccnc(c1)F 270004a_100020643023_100000068331 [0,1,0,0,0,0|3,0,0]=4 4121 B12R1.28 CCCNCc1ccnc(c1)F 34a_100015188774_100000210303 [0,1,0,0,0,0|3,0,0]=4 4122 B12R1.28 CCCNCc1ccnc(c1)O 207a_100020643023_100000688113 [0,1,0,0,0,0|3,0,0]=4 4123 B12R1.28 CCCNCc1ccnc(n1)C 270004a_100020643023_100011361539 [0,1,0,0,0,0|2,0,0]=3 4124 B12R1.28 CCCNCc1cncc(c1)Br 207a_100020643023_100000687066 [0,1,0,0,0,0|3,0,0]=4 4125 B12R1.28 CCCNCc1cncc(c1)Br 270004a_100020643023_100000687066 [0,1,0,0,0,0|3,0,0]=4 4126 B12R1.28 CCCNCc1cncc(c1)C 207a_100020643023_100011998712 [0,1,0,0,0,0|3,0,0]=4 4127 B12R1.28 CCCNCc1cncc(c1)C 2230a_100000692839_100000210303 [0,1,0,0,0,0|3,0,0]=4 4128 B12R1.28 CCCNCc1cncc(c1)C 270004a_100020643023_100011998712 [0,1,0,0,0,0|3,0,0]=4 4129 B12R1.28 CCCNCc1cncc(c1)C 34a_100000692839_100000210303 [0,1,0,0,0,0|3,0,0]=4 4130 B12R1.28 CCCNCc1cncc(c1)Cl 207a_100020643023_100000088910 [0,1,0,0,0,0|3,0,0]=4 4131 B12R1.28 CCCNCc1cncc(c1)Cl 2230a_200020614424_100000210303 [0,1,0,0,0,0|3,0,0]=4 4132 B12R1.28 CCCNCc1cncc(c1)Cl 270004a_100020643023_100000088910 [0,1,0,0,0,0|3,0,0]=4 4133 B12R1.28 CCCNCc1cncc(c1)F 207a_100020643023_100011361476 [0,1,0,0,0,0|3,0,0]=4 4134 B12R1.28 CCCNCc1cncc(c1)F 2230a_100011962886_100000210303 [0,1,0,0,0,0|3,0,0]=4 4135 B12R1.28 CCCNCc1cncc(c1)F 270004a_100020643023_100011361476 [0,1,0,0,0,0|3,0,0]=4 4136 B12R1.28 CCCNCc1cncc(c1)F 34a_100011962886_100000210303 [0,1,0,0,0,0|3,0,0]=4 4137 B12R1.28 CCCNCc1cncc(c1)O 207a_100020643023_100012187055 [0,1,0,0,0,0|3,0,0]=4 4138 B12R1.28 CCCNCc1cncc(c1)O 270004a_100020643023_100012187055 [0,1,0,0,0,0|3,0,0]=4 4139 B12R1.28 CCCNCc1cncc(n1)C 207a_100020643023_100000100294 [0,1,0,0,0,0|2,0,0]=3 4140 B12R1.28 CCCNCc1cncc(n1)C 270004a_100020643023_100000100294 [0,1,0,0,0,0|2,0,0]=3 4141 B12R1.28 CCCNCc1nccc(n1)C 2230a_100015186494_100000210303 [0,1,0,0,0,0|2,0,0]=3 4142 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [0,1,0,0,0,0|1,0,0]=2 4143 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [0,1,0,0,0,0|1,0,0]=2 4144 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [0,1,0,0,0,0|1,0,0]=2 4145 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [0,1,0,0,0,0|1,0,0]=2 4146 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [0,1,0,0,0,0|1,0,0]=2 4147 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [0,1,0,0,0,0|1,0,0]=2 4148 B12R1.28 CCCOCc1cc(cnn1)C 34a_100016212594_100000210303 [0,1,0,0,0,0|2,0,0]=3 4149 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210303 [0,1,0,0,0,0|3,0,0]=4 4150 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210303 [0,1,0,0,0,0|3,0,0]=4 4151 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,1,0,0,0,0|2,0,0]=3 4152 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,1,0,0,0,0|2,0,0]=3 4153 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,1,0,0,0,0|2,0,0]=3 4154 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,1,0,0,0,0|2,0,0]=3 4155 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,1,0,0,0,0|2,0,0]=3 4156 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,1,0,0,0,0|2,0,0]=3 4157 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,1,0,0,0,0|2,0,0]=3 4158 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,1,0,0,0,0|2,0,0]=3 4159 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,1,0,0,0,0|2,0,0]=3 4160 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,1,0,0,0,0|2,0,0]=3 4161 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,1,0,0,0,0|2,0,0]=3 4162 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,1,0,0,0,0|2,0,0]=3 4163 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,1,0,0,0,0|2,0,0]=3 4164 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,1,0,0,0,0|2,0,0]=3 4165 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,1,0,0,0,0|2,0,0]=3 4166 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,1,0,0,0,0|2,0,0]=3 4167 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,1,0,0,0,0|2,0,0]=3 4168 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [0,1,0,0,0,0|1,0,0]=2 4169 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [0,1,0,0,0,0|1,0,0]=2 4170 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [0,1,0,0,0,0|1,0,0]=2 4171 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [0,1,0,0,0,0|1,0,0]=2 4172 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [0,1,0,0,0,0|1,0,0]=2 4173 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [0,1,0,0,0,0|1,0,0]=2 4174 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [0,1,0,0,0,0|1,0,0]=2 4175 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [0,1,0,0,0,0|1,0,0]=2 4176 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100000210258_100010243470 [0,1,0,0,0,0|3,0,0]=4 4177 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100009814636_100000210303 [0,1,0,0,0,0|3,0,0]=4 4178 B12R1.28 CCCOCc1ccnc(c1)Br 7a_100009814636_100000210303 [0,1,0,0,0,0|3,0,0]=4 4179 B12R1.28 CCCOCc1ccnc(c1)C 34a_100000210258_200020672517 [0,1,0,0,0,0|3,0,0]=4 4180 B12R1.28 CCCOCc1ccnc(c1)C 34a_100011998630_100000210303 [0,1,0,0,0,0|3,0,0]=4 4181 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000210258_100000764220 [0,1,0,0,0,0|3,0,0]=4 4182 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000748751_100000210303 [0,1,0,0,0,0|3,0,0]=4 4183 B12R1.28 CCCOCc1ccnc(c1)F 34a_100000082451_100000210303 [0,1,0,0,0,0|3,0,0]=4 4184 B12R1.28 CCCOCc1ccnc(n1)Cl 34a_100000210258_100000099655 [0,1,0,0,0,0|2,0,0]=3 4185 B12R1.28 CCCOCc1cncc(c1)Br 34a_100000210258_100000738771 [0,1,0,0,0,0|3,0,0]=4 4186 B12R1.28 CCCOCc1cncc(c1)Br 34a_100011259137_100000210303 [0,1,0,0,0,0|3,0,0]=4 4187 B12R1.28 CCCOCc1cncc(c1)Br 7a_100011259137_100000210303 [0,1,0,0,0,0|3,0,0]=4 4188 B12R1.28 CCCOCc1cncc(c1)C 34a_100000210258_100000716715 [0,1,0,0,0,0|3,0,0]=4 4189 B12R1.28 CCCOCc1cncc(c1)C 34a_100011998709_100000210303 [0,1,0,0,0,0|3,0,0]=4 4190 B12R1.28 CCCOCc1cncc(c1)C 7a_100011998709_100000210303 [0,1,0,0,0,0|3,0,0]=4 4191 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000092867_100000210303 [0,1,0,0,0,0|3,0,0]=4 4192 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000210258_100016992070 [0,1,0,0,0,0|3,0,0]=4 4193 B12R1.28 CCCOCc1cncc(c1)Cl 7a_100000092867_100000210303 [0,1,0,0,0,0|3,0,0]=4 4194 B12R1.28 CCCOCc1cncc(c1)F 34a_100000210258_100000725299 [0,1,0,0,0,0|3,0,0]=4 4195 B12R1.28 CCCOCc1cncc(c1)F 34a_100011962875_100000210303 [0,1,0,0,0,0|3,0,0]=4 4196 B12R1.28 CCCOCc1cncc(c1)F 7a_100011962875_100000210303 [0,1,0,0,0,0|3,0,0]=4 4197 B12R1.28 CCCOCc1cncc(c1)N 34a_100000085308_100000210303 [0,1,0,0,0,0|3,0,0]=4 4198 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100000210303_100010173614 [0,1,0,0,0,0|1,0,0]=2 4199 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100010173614_100000210303 [0,1,0,0,0,0|1,0,0]=2 4200 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000210303_100000718516 [0,1,0,0,0,0|1,0,0]=2 4201 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000718516_100000210303 [0,1,0,0,0,0|1,0,0]=2 4202 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100000210303_100016988179 [0,1,0,0,0,0|1,0,0]=2 4203 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100016988179_100000210303 [0,1,0,0,0,0|1,0,0]=2 4204 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,1,0,0,0,0|2,0,0]=3 4205 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,1,0,0,0,0|2,0,0]=3 4206 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,1,0,0,0,0|2,0,0]=3 4207 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,1,0,0,0,0|2,0,0]=3 4208 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,1,0,0,0,0|2,0,0]=3 4209 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,1,0,0,0,0|2,0,0]=3 4210 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,1,0,0,0,0|2,0,0]=3 4211 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,1,0,0,0,0|2,0,0]=3 4212 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,1,0,0,0,0|2,0,0]=3 4213 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,1,0,0,0,0|2,0,0]=3 4214 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,1,0,0,0,0|2,0,0]=3 4215 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,1,0,0,0,0|2,0,0]=3 4216 B12R1.28 CCCSCc1cccc(n1)Br 62a_100000210303_100009889011 [0,1,0,0,0,0|1,0,0]=2 4217 B12R1.28 CCCSCc1cccc(n1)Br 62a_100009889011_100000210303 [0,1,0,0,0,0|1,0,0]=2 4218 B12R1.28 CCCSCc1cccc(n1)C 62a_100000210303_100000757606 [0,1,0,0,0,0|1,0,0]=2 4219 B12R1.28 CCCSCc1cccc(n1)C 62a_100000757606_100000210303 [0,1,0,0,0,0|1,0,0]=2 4220 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000086093_100000210303 [0,1,0,0,0,0|1,0,0]=2 4221 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000210303_100000086093 [0,1,0,0,0,0|1,0,0]=2 4222 B12R1.28 CCCSCc1cccc(n1)F 62a_100000210303_100009819644 [0,1,0,0,0,0|1,0,0]=2 4223 B12R1.28 CCCSCc1cccc(n1)F 62a_100009819644_100000210303 [0,1,0,0,0,0|1,0,0]=2 4224 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100000210303_100010243470 [0,1,0,0,0,0|3,0,0]=4 4225 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100010254460_100000210303 [0,1,0,0,0,0|3,0,0]=4 4226 B12R1.28 CCCSCc1ccnc(c1)C 62a_100000210303_200020672517 [0,1,0,0,0,0|3,0,0]=4 4227 B12R1.28 CCCSCc1ccnc(c1)C 62a_200020672517_100000210303 [0,1,0,0,0,0|3,0,0]=4 4228 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000210303_100000764220 [0,1,0,0,0,0|3,0,0]=4 4229 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000764220_100000210303 [0,1,0,0,0,0|3,0,0]=4 4230 B12R1.28 CCCSCc1ccnc(n1)Cl 62a_100000099655_100000210303 [0,1,0,0,0,0|2,0,0]=3 4231 B12R1.28 CCCSCc1ccnc(n1)Cl 62a_100000210303_100000099655 [0,1,0,0,0,0|2,0,0]=3 4232 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000210303_100000738771 [0,1,0,0,0,0|3,0,0]=4 4233 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000738771_100000210303 [0,1,0,0,0,0|3,0,0]=4 4234 B12R1.28 CCCSCc1cncc(c1)C 62a_100000210303_100000716715 [0,1,0,0,0,0|3,0,0]=4 4235 B12R1.28 CCCSCc1cncc(c1)C 62a_100000716715_100000210303 [0,1,0,0,0,0|3,0,0]=4 4236 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100000210303_100016992070 [0,1,0,0,0,0|3,0,0]=4 4237 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100016992070_100000210303 [0,1,0,0,0,0|3,0,0]=4 4238 B12R1.28 CCCSCc1cncc(c1)F 62a_100000210303_100000725299 [0,1,0,0,0,0|3,0,0]=4 4239 B12R1.28 CCCSCc1cncc(c1)F 62a_100000725299_100000210303 [0,1,0,0,0,0|3,0,0]=4 4240 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,1,0,0,0,0|2,0,0]=3 4241 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,1,0,0,0,0|2,0,0]=3 4242 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,1,0,0,0,0|2,0,0]=3 4243 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,1,0,0,0,0|2,0,0]=3 4244 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,1,0,0,0,0|2,0,0]=3 4245 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,1,0,0,0,0|2,0,0]=3 4246 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,1,0,0,0,0|2,0,0]=3 4247 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,1,0,0,0,0|2,0,0]=3 4248 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,1,0,0,0,0|2,0,0]=3 4249 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,1,0,0,0,0|2,0,0]=3 4250 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,1,0,0,0,0|2,0,0]=3 4251 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,1,0,0,0,0|2,0,0]=3 4252 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,1,0,0,0,0|2,0,0]=3 4253 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,1,0,0,0,0|2,0,0]=3 4254 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [0,1,0,0,0,0|1,0,0]=2 4255 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [0,1,0,0,0,0|1,0,0]=2 4256 B12R1.28 CCNN=Cc1cc(ccn1)Br 4a_100000756455_100009818557 [0,1,0,0,0,0|2,0,1]=4 4257 B12R1.28 CCNN=Cc1cc(ccn1)C 4a_100000756455_100011361488 [0,1,0,0,0,0|2,0,1]=4 4258 B12R1.28 CCNN=Cc1cc(ccn1)Cl 4a_100000756455_100011998288 [0,1,0,0,0,0|2,0,1]=4 4259 B12R1.28 CCNN=Cc1cccc(n1)Br 4a_100000756455_100000688028 [0,1,0,0,0,0|2,0,1]=4 4260 B12R1.28 CCNN=Cc1cccc(n1)C 4a_100000756455_100011215050 [0,1,0,0,0,0|2,0,1]=4 4261 B12R1.28 CCNN=Cc1cccc(n1)Cl 4a_100000756455_100011361687 [0,1,0,0,0,0|2,0,1]=4 4262 B12R1.28 CCNN=Cc1cccc(n1)F 4a_100000756455_100000050434 [0,1,0,0,0,0|2,0,1]=4 4263 B12R1.28 CCOC=Cc1cc(ccn1)C 271570a_100016256518_100000750283 [0,1,0,0,0,0|1,0,2]=4 4264 B12R1.28 CCOC=Cc1cc(ccn1)Cl 271570a_100016256518_100010167805 [0,1,0,0,0,0|1,0,2]=4 4265 B12R1.28 CCOC=Cc1cc(ccn1)F 271570a_100016256518_100009817058 [0,1,0,0,0,0|1,0,2]=4 4266 B12R1.28 CCOC=Cc1cc(ccn1)N 271570a_100016256518_100009814236 [0,1,0,0,0,0|1,0,2]=4 4267 B12R1.28 CCOC=Cc1cc(ccn1)O 271570a_100016256518_100000762945 [0,1,0,0,0,0|1,0,2]=4 4268 B12R1.28 CCOC=Cc1cccc(n1)Br 271570a_100016256518_100000684672 [0,1,0,0,0,0|1,0,2]=4 4269 B12R1.28 CCOC=Cc1cccc(n1)C 271570a_100016256518_100000742759 [0,1,0,0,0,0|1,0,2]=4 4270 B12R1.28 CCOC=Cc1cccc(n1)F 271570a_100016256518_100009815982 [0,1,0,0,0,0|1,0,2]=4 4271 B12R1.28 CCOC=Cc1cccc(n1)N 271570a_100016256518_100000740741 [0,1,0,0,0,0|1,0,2]=4 4272 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [0,1,0,0,0,0|2,0,0]=3 4273 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [0,1,0,0,0,0|2,0,0]=3 4274 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [0,1,0,0,0,0|2,0,0]=3 4275 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [0,1,0,0,0,0|2,0,0]=3 4276 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [0,1,0,0,0,0|2,0,0]=3 4277 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [0,1,0,0,0,0|2,0,0]=3 4278 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [0,1,0,0,0,0|2,0,0]=3 4279 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [0,1,0,0,0,0|2,0,0]=3 4280 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [0,1,0,0,0,0|2,0,0]=3 4281 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [0,1,0,0,0,0|2,0,0]=3 4282 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [0,1,0,0,0,0|2,0,0]=3 4283 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [0,1,0,0,0,0|2,0,0]=3 4284 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [0,1,0,0,0,0|2,0,0]=3 4285 B12R1.28 CCOCCc1cccc(n1)Br 34a_100010221043_100000210202 [0,1,0,0,0,0|1,0,0]=2 4286 B12R1.28 CCOCCc1cccc(n1)Br 7a_100010221043_100000210202 [0,1,0,0,0,0|1,0,0]=2 4287 B12R1.28 CCOCSc1c[n+](ccn1)[O-] 62a_100000739092_100009880115 [0,1,0,0,0,0|3,0,0]=4 4288 B12R1.28 CCOCSc1cc(=O)[nH]cn1 62a_100012002517_100000739092 [0,1,0,0,0,0|3,0,0]=4 4289 B12R1.28 CCOCSc1cc(=O)cc[nH]1 62a_100009817434_100000739092 [0,1,0,0,0,0|2,0,1]=4 4290 B12R1.28 CCOCSc1cc(ccn1)C 62a_100000739092_100000750283 [0,1,0,0,0,0|2,0,0]=3 4291 B12R1.28 CCOCSc1cc(ccn1)C 62a_100000750283_100000739092 [0,1,0,0,0,0|2,0,0]=3 4292 B12R1.28 CCOCSc1cc(ccn1)Cl 62a_100000739092_100010167805 [0,1,0,0,0,0|2,0,0]=3 4293 B12R1.28 CCOCSc1cc(ccn1)Cl 62a_100010167805_100000739092 [0,1,0,0,0,0|2,0,0]=3 4294 B12R1.28 CCOCSc1cc(ccn1)F 62a_100000739092_100000764206 [0,1,0,0,0,0|2,0,0]=3 4295 B12R1.28 CCOCSc1cc(ccn1)F 62a_100000764206_100000739092 [0,1,0,0,0,0|2,0,0]=3 4296 B12R1.28 CCOCSc1cc(ccn1)N 62a_100000739092_100009814236 [0,1,0,0,0,0|2,0,0]=3 4297 B12R1.28 CCOCSc1cc(ccn1)N 62a_100009814236_100000739092 [0,1,0,0,0,0|2,0,0]=3 4298 B12R1.28 CCOCSc1cc(ccn1)O 62a_100000739092_100000762945 [0,1,0,0,0,0|2,0,0]=3 4299 B12R1.28 CCOCSc1cc(cnn1)C 62a_100000070100_100000739092 [0,1,0,0,0,0|3,0,0]=4 4300 B12R1.28 CCOCSc1cc(cnn1)C 62a_100000739092_100000070100 [0,1,0,0,0,0|3,0,0]=4 4301 B12R1.28 CCOCSc1cc(cnn1)N 62a_100000739092_100011996757 [0,1,0,0,0,0|3,0,0]=4 4302 B12R1.28 CCOCSc1cc(cnn1)N 62a_100011996757_100000739092 [0,1,0,0,0,0|3,0,0]=4 4303 B12R1.28 CCOCSc1cc(cnn1)O 62a_100000739092_200010734679 [0,1,0,0,0,0|3,0,0]=4 4304 B12R1.28 CCOCSc1cc(ncn1)C 62a_100000739092_100000744208 [0,1,0,0,0,0|3,0,0]=4 4305 B12R1.28 CCOCSc1cc(ncn1)C 62a_100000744208_100000739092 [0,1,0,0,0,0|3,0,0]=4 4306 B12R1.28 CCOCSc1cc(ncn1)Cl 62a_100000739092_100010161198 [0,1,0,0,0,0|3,0,0]=4 4307 B12R1.28 CCOCSc1cc(ncn1)Cl 62a_100010161198_100000739092 [0,1,0,0,0,0|3,0,0]=4 4308 B12R1.28 CCOCSc1cc(ncn1)F 62a_100000739092_200009880791 [0,1,0,0,0,0|3,0,0]=4 4309 B12R1.28 CCOCSc1cc(ncn1)F 62a_200009880791_100000739092 [0,1,0,0,0,0|3,0,0]=4 4310 B12R1.28 CCOCSc1cc(ncn1)N 62a_100000701291_100000739092 [0,1,0,0,0,0|3,0,0]=4 4311 B12R1.28 CCOCSc1cc(ncn1)N 62a_100000739092_100000701291 [0,1,0,0,0,0|3,0,0]=4 4312 B12R1.28 CCOCSc1cc(ncn1)O 62a_100000739092_100000765262 [0,1,0,0,0,0|3,0,0]=4 4313 B12R1.28 CCOCSc1cc[nH]c(=O)n1 62a_100000739092_200000134032 [0,1,0,0,0,0|3,0,0]=4 4314 B12R1.28 CCOCSc1cccc(=O)[nH]1 62a_100000739092_100000752884 [0,1,0,0,0,0|2,0,1]=4 4315 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000691529_100000739092 [0,1,0,0,0,0|3,0,0]=4 4316 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000739092_100000691529 [0,1,0,0,0,0|3,0,0]=4 4317 B12R1.28 CCOCSc1cccc(c1)C 62a_100000739092_100011215228 [0,1,0,0,0,0|3,0,0]=4 4318 B12R1.28 CCOCSc1cccc(c1)C 62a_100011215228_100000739092 [0,1,0,0,0,0|3,0,0]=4 4319 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000699651_100000739092 [0,1,0,0,0,0|3,0,0]=4 4320 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000739092_100000699651 [0,1,0,0,0,0|3,0,0]=4 4321 B12R1.28 CCOCSc1cccc(c1)F 62a_100000685547_100000739092 [0,1,0,0,0,0|3,0,0]=4 4322 B12R1.28 CCOCSc1cccc(c1)F 62a_100000739092_100000685547 [0,1,0,0,0,0|3,0,0]=4 4323 B12R1.28 CCOCSc1cccc(c1)N 62a_100000210019_100000739092 [0,1,0,0,0,0|3,0,0]=4 4324 B12R1.28 CCOCSc1cccc(c1)N 62a_100000739092_100000210019 [0,1,0,0,0,0|3,0,0]=4 4325 B12R1.28 CCOCSc1cccc(c1)O 62a_100000739092_100000211634 [0,1,0,0,0,0|3,0,0]=4 4326 B12R1.28 CCOCSc1cccc(c1)[S] 62a_100000739092_114929384022 [0,1,0,0,0,0|3,0,0]=4 4327 B12R1.28 CCOCSc1cccc(c1)[S] 62a_114929384022_100000739092 [0,1,0,0,0,0|3,0,0]=4 4328 B12R1.28 CCOCSc1cccc(n1)Br 62a_100000684672_100000739092 [0,1,0,0,0,0|2,0,0]=3 4329 B12R1.28 CCOCSc1cccc(n1)Br 62a_100000739092_100000684672 [0,1,0,0,0,0|2,0,0]=3 4330 B12R1.28 CCOCSc1cccc(n1)C 62a_100000739092_100000742759 [0,1,0,0,0,0|2,0,0]=3 4331 B12R1.28 CCOCSc1cccc(n1)C 62a_100000742759_100000739092 [0,1,0,0,0,0|2,0,0]=3 4332 B12R1.28 CCOCSc1cccc(n1)Cl 62a_100000051397_100000739092 [0,1,0,0,0,0|2,0,0]=3 4333 B12R1.28 CCOCSc1cccc(n1)Cl 62a_100000739092_100000051397 [0,1,0,0,0,0|2,0,0]=3 4334 B12R1.28 CCOCSc1cccc(n1)F 62a_100000739092_100009815982 [0,1,0,0,0,0|2,0,0]=3 4335 B12R1.28 CCOCSc1cccc(n1)F 62a_100009815982_100000739092 [0,1,0,0,0,0|2,0,0]=3 4336 B12R1.28 CCOCSc1cccc(n1)N 62a_100000739092_100000740741 [0,1,0,0,0,0|2,0,0]=3 4337 B12R1.28 CCOCSc1cccc(n1)N 62a_100000740741_100000739092 [0,1,0,0,0,0|2,0,0]=3 4338 B12R1.28 CCOCSc1ccnc(n1)C 62a_100000739092_100000749937 [0,1,0,0,0,0|3,0,0]=4 4339 B12R1.28 CCOCSc1ccnc(n1)C 62a_100000749937_100000739092 [0,1,0,0,0,0|3,0,0]=4 4340 B12R1.28 CCOCSc1ccnc(n1)Cl 62a_100000739092_100010154678 [0,1,0,0,0,0|3,0,0]=4 4341 B12R1.28 CCOCSc1ccnc(n1)Cl 62a_100010154678_100000739092 [0,1,0,0,0,0|3,0,0]=4 4342 B12R1.28 CCOCSc1ccnc(n1)N 62a_100000055538_100000739092 [0,1,0,0,0,0|3,0,0]=4 4343 B12R1.28 CCOCSc1ccnc(n1)N 62a_100000739092_100000055538 [0,1,0,0,0,0|3,0,0]=4 4344 B12R1.28 CCOCSc1cncc(n1)C 62a_100000739092_100000754123 [0,1,0,0,0,0|3,0,0]=4 4345 B12R1.28 CCOCSc1cncc(n1)C 62a_100000754123_100000739092 [0,1,0,0,0,0|3,0,0]=4 4346 B12R1.28 CCOCSc1cncc(n1)Cl 62a_100000739092_100010892449 [0,1,0,0,0,0|3,0,0]=4 4347 B12R1.28 CCOCSc1cncc(n1)Cl 62a_100010892449_100000739092 [0,1,0,0,0,0|3,0,0]=4 4348 B12R1.28 CCOCSc1cncc(n1)F 62a_100000739092_200009863489 [0,1,0,0,0,0|3,0,0]=4 4349 B12R1.28 CCOCSc1cncc(n1)F 62a_200009863489_100000739092 [0,1,0,0,0,0|3,0,0]=4 4350 B12R1.28 CCOCSc1cncc(n1)N 62a_100000739092_100000747728 [0,1,0,0,0,0|3,0,0]=4 4351 B12R1.28 CCOCSc1cncc(n1)N 62a_100000747728_100000739092 [0,1,0,0,0,0|3,0,0]=4 4352 B12R1.28 CCOCSc1cncc(n1)O 62a_100000739092_100011269956 [0,1,0,0,0,0|3,0,0]=4 4353 B12R1.28 CCOCSc1nccc(n1)C 62a_100000739092_100011243806 [0,1,0,0,0,0|3,0,0]=4 4354 B12R1.28 CCOCSc1nccc(n1)C 62a_100011243806_100000739092 [0,1,0,0,0,0|3,0,0]=4 4355 B12R1.28 CCOCSc1nccc(n1)N 62a_100000739092_100000757536 [0,1,0,0,0,0|3,0,0]=4 4356 B12R1.28 CCOCSc1nccc(n1)N 62a_100000757536_100000739092 [0,1,0,0,0,0|3,0,0]=4 4357 B12R1.28 CCOCSc1nccc(n1)O 62a_100000739092_100011649813 [0,1,0,0,0,0|3,0,0]=4 4358 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [0,1,0,0,0,0|2,0,0]=3 4359 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [0,1,0,0,0,0|2,0,0]=3 4360 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [0,1,0,0,0,0|2,0,0]=3 4361 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [0,1,0,0,0,0|2,0,0]=3 4362 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [0,1,0,0,0,0|2,0,0]=3 4363 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [0,1,0,0,0,0|2,0,0]=3 4364 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [0,1,0,0,0,0|2,0,0]=3 4365 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [0,1,0,0,0,0|2,0,0]=3 4366 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [0,1,0,0,0,0|2,0,0]=3 4367 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [0,1,0,0,0,0|2,0,0]=3 4368 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [0,1,0,0,0,0|2,0,0]=3 4369 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [0,1,0,0,0,0|2,0,0]=3 4370 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [0,1,0,0,0,0|2,0,0]=3 4371 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [0,1,0,0,0,0|2,0,0]=3 4372 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [0,1,0,0,0,0|2,0,0]=3 4373 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [0,1,0,0,0,0|2,0,0]=3 4374 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [0,1,0,0,0,0|2,0,0]=3 4375 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [0,1,0,0,0,0|2,0,0]=3 4376 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [0,1,0,0,0,0|2,0,0]=3 4377 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [0,1,0,0,0,0|2,0,0]=3 4378 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [0,1,0,0,0,0|2,0,0]=3 4379 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [0,1,0,0,0,0|2,0,0]=3 4380 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [0,1,0,0,0,0|3,0,0]=4 4381 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [0,1,0,0,0,0|3,0,0]=4 4382 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [0,1,0,0,0,0|3,0,0]=4 4383 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [0,1,0,0,0,0|3,0,0]=4 4384 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [0,1,0,0,0,0|3,0,0]=4 4385 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [0,1,0,0,0,0|3,0,0]=4 4386 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [0,1,0,0,0,0|3,0,0]=4 4387 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [0,1,0,0,0,0|3,0,0]=4 4388 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [0,1,0,0,0,0|3,0,0]=4 4389 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [0,1,0,0,0,0|3,0,0]=4 4390 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [0,1,0,0,0,0|3,0,0]=4 4391 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [0,1,0,0,0,0|3,0,0]=4 4392 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [0,1,0,0,0,0|3,0,0]=4 4393 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [0,1,0,0,0,0|3,0,0]=4 4394 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [0,1,0,0,0,0|3,0,0]=4 4395 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [0,1,0,0,0,0|3,0,0]=4 4396 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [0,1,0,0,0,0|3,0,0]=4 4397 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [0,1,0,0,0,0|3,0,0]=4 4398 B12R1.28 COCC=Cc1cc(ccn1)C 271570a_100016286323_100000750283 [0,1,0,0,0,0|1,0,2]=4 4399 B12R1.28 COCC=Cc1cc(ccn1)Cl 271570a_100016286323_100010167805 [0,1,0,0,0,0|1,0,2]=4 4400 B12R1.28 COCC=Cc1cc(ccn1)F 271570a_100016286323_100009817058 [0,1,0,0,0,0|1,0,2]=4 4401 B12R1.28 COCC=Cc1cc(ccn1)N 271570a_100016286323_100009814236 [0,1,0,0,0,0|1,0,2]=4 4402 B12R1.28 COCC=Cc1cc(ccn1)O 271570a_100016286323_100000762945 [0,1,0,0,0,0|1,0,2]=4 4403 B12R1.28 COCC=Cc1cccc(n1)Br 271570a_100016286323_100000684672 [0,1,0,0,0,0|1,0,2]=4 4404 B12R1.28 COCC=Cc1cccc(n1)C 271570a_100016286323_100000742759 [0,1,0,0,0,0|1,0,2]=4 4405 B12R1.28 COCC=Cc1cccc(n1)F 271570a_100016286323_100009815982 [0,1,0,0,0,0|1,0,2]=4 4406 B12R1.28 COCC=Cc1cccc(n1)N 271570a_100016286323_100000740741 [0,1,0,0,0,0|1,0,2]=4 4407 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,1,0,0,0,0|2,0,0]=3 4408 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,1,0,0,0,0|2,0,0]=3 4409 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,1,0,0,0,0|2,0,0]=3 4410 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,1,0,0,0,0|2,0,0]=3 4411 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,1,0,0,0,0|2,0,0]=3 4412 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,1,0,0,0,0|2,0,0]=3 4413 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,1,0,0,0,0|2,0,0]=3 4414 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,1,0,0,0,0|2,0,0]=3 4415 B12R1.28 COCCCc1cccc(n1)C 34a_100000211354_200000210301 [0,1,0,0,0,0|1,0,0]=2 4416 B12R1.28 COCCNc1c[n+](ccn1)[O-] 27a_100000209980_100009880115 [0,1,0,0,0,0|3,0,0]=4 4417 B12R1.28 COCCNc1cc(ccn1)F 27a_100000209980_100000764206 [0,1,0,0,0,0|2,0,0]=3 4418 B12R1.28 COCCNc1cc(cnn1)C 27a_100000209980_100000070100 [0,1,0,0,0,0|3,0,0]=4 4419 B12R1.28 COCCNc1cc(ncn1)C 27a_100000209980_100000744208 [0,1,0,0,0,0|3,0,0]=4 4420 B12R1.28 COCCNc1cc(ncn1)F 27a_100000209980_200009880791 [0,1,0,0,0,0|3,0,0]=4 4421 B12R1.28 COCCNc1cc(ncn1)N 27a_100000209980_100000701291 [0,1,0,0,0,0|3,0,0]=4 4422 B12R1.28 COCCNc1cc(ncn1)O 27a_100000209980_100000765262 [0,1,0,0,0,0|3,0,0]=4 4423 B12R1.28 COCCNc1cc[nH]c(=O)n1 27a_100000209980_200000134032 [0,1,0,0,0,0|3,0,0]=4 4424 B12R1.28 COCCNc1cccc(c1)Br 34a_100000210019_100011201679 [0,1,0,0,0,0|3,0,0]=4 4425 B12R1.28 COCCNc1cccc(c1)C 2230a_100000188690_100011201679 [0,1,0,0,0,0|3,0,0]=4 4426 B12R1.28 COCCNc1cccc(c1)C 34a_100000188690_100011201679 [0,1,0,0,0,0|3,0,0]=4 4427 B12R1.28 COCCNc1cccc(c1)Cl 34a_100000185859_100011201679 [0,1,0,0,0,0|3,0,0]=4 4428 B12R1.28 COCCNc1cccc(c1)F 34a_100000210047_100011201679 [0,1,0,0,0,0|3,0,0]=4 4429 B12R1.28 COCCNc1cccc(c1)I 34a_100000211102_100011201679 [0,1,0,0,0,0|3,0,0]=4 4430 B12R1.28 COCCNc1cccc(c1)O 34a_100000210217_100011201679 [0,1,0,0,0,0|3,0,0]=4 4431 B12R1.28 COCCNc1cccc(n1)F 27a_100000209980_100009815982 [0,1,0,0,0,0|2,0,0]=3 4432 B12R1.28 COCCNc1cccc(n1)F 34a_200011432718_200000210301 [0,1,0,0,0,0|2,0,0]=3 4433 B12R1.28 COCCNc1ccnc(n1)C 27a_100000209980_100000749937 [0,1,0,0,0,0|3,0,0]=4 4434 B12R1.28 COCCNc1ccnc(n1)N 27a_100000209980_100000055538 [0,1,0,0,0,0|3,0,0]=4 4435 B12R1.28 COCCNc1cncc(n1)C 27a_100000209980_100000754123 [0,1,0,0,0,0|3,0,0]=4 4436 B12R1.28 COCCNc1cncc(n1)Cl 27a_100000209980_100010892449 [0,1,0,0,0,0|3,0,0]=4 4437 B12R1.28 COCCNc1cncc(n1)F 27a_100000209980_200009863489 [0,1,0,0,0,0|3,0,0]=4 4438 B12R1.28 COCCNc1nccc(n1)C 27a_100000209980_100000750684 [0,1,0,0,0,0|3,0,0]=4 4439 B12R1.28 COCCNc1nccc(n1)N 27a_100000209980_100000757536 [0,1,0,0,0,0|3,0,0]=4 4440 B12R1.28 COCCNc1nccc(n1)O 27a_100000209980_100011649813 [0,1,0,0,0,0|3,0,0]=4 4441 B12R1.28 COCCOc1cc(ccn1)O 271570a_203496583355_200010734593 [0,1,0,0,0,0|2,0,0]=3 4442 B12R1.28 COCCOc1cc(cnn1)C 34a_100000766097_100011201679 [0,1,0,0,0,0|3,0,0]=4 4443 B12R1.28 COCCOc1cccc(=O)[nH]1 34a_100000033347_100011201679 [0,1,0,0,0,0|2,0,1]=4 4444 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [0,1,0,0,0,0|3,0,0]=4 4445 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [0,1,0,0,0,0|3,0,0]=4 4446 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [0,1,0,0,0,0|3,0,0]=4 4447 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [0,1,0,0,0,0|3,0,0]=4 4448 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [0,1,0,0,0,0|3,0,0]=4 4449 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [0,1,0,0,0,0|3,0,0]=4 4450 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [0,1,0,0,0,0|3,0,0]=4 4451 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [0,1,0,0,0,0|3,0,0]=4 4452 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [0,1,0,0,0,0|3,0,0]=4 4453 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,1,0,0,0,0|3,0,0]=4 4454 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,1,0,0,0,0|3,0,0]=4 4455 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,1,0,0,0,0|3,0,0]=4 4456 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,1,0,0,0,0|3,0,0]=4 4457 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,1,0,0,0,0|3,0,0]=4 4458 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [0,1,0,0,0,0|3,0,0]=4 4459 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [0,1,0,0,0,0|3,0,0]=4 4460 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [0,1,0,0,0,0|3,0,0]=4 4461 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [0,1,0,0,0,0|3,0,0]=4 4462 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [0,1,0,0,0,0|3,0,0]=4 4463 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [0,1,0,0,0,0|3,0,0]=4 4464 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [0,1,0,0,0,0|3,0,0]=4 4465 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [0,1,0,0,0,0|3,0,0]=4 4466 B12R1.28 COCCOc1cccc(n1)F 34a_100011432558_100011201679 [0,1,0,0,0,0|2,0,0]=3 4467 B12R1.28 COCCSc1c[n+](ccn1)[O-] 62a_100000233755_100009880115 [0,1,0,0,0,0|3,0,0]=4 4468 B12R1.28 COCCSc1cc(=O)[nH]cn1 62a_100012002517_100000233755 [0,1,0,0,0,0|3,0,0]=4 4469 B12R1.28 COCCSc1cc(=O)cc[nH]1 62a_100009817434_100000233755 [0,1,0,0,0,0|2,0,1]=4 4470 B12R1.28 COCCSc1cc(ccn1)C 62a_100000233755_100000750283 [0,1,0,0,0,0|2,0,0]=3 4471 B12R1.28 COCCSc1cc(ccn1)C 62a_100000750283_100000233755 [0,1,0,0,0,0|2,0,0]=3 4472 B12R1.28 COCCSc1cc(ccn1)Cl 62a_100000233755_100010167805 [0,1,0,0,0,0|2,0,0]=3 4473 B12R1.28 COCCSc1cc(ccn1)Cl 62a_100010167805_100000233755 [0,1,0,0,0,0|2,0,0]=3 4474 B12R1.28 COCCSc1cc(ccn1)F 62a_100000233755_100000764206 [0,1,0,0,0,0|2,0,0]=3 4475 B12R1.28 COCCSc1cc(ccn1)F 62a_100000764206_100000233755 [0,1,0,0,0,0|2,0,0]=3 4476 B12R1.28 COCCSc1cc(ccn1)N 62a_100000233755_100009814236 [0,1,0,0,0,0|2,0,0]=3 4477 B12R1.28 COCCSc1cc(ccn1)N 62a_100009814236_100000233755 [0,1,0,0,0,0|2,0,0]=3 4478 B12R1.28 COCCSc1cc(ccn1)O 62a_100000233755_100000762945 [0,1,0,0,0,0|2,0,0]=3 4479 B12R1.28 COCCSc1cc(cnn1)C 62a_100000070100_100000233755 [0,1,0,0,0,0|3,0,0]=4 4480 B12R1.28 COCCSc1cc(cnn1)C 62a_100000233755_100000070100 [0,1,0,0,0,0|3,0,0]=4 4481 B12R1.28 COCCSc1cc(cnn1)N 62a_100000233755_100011996757 [0,1,0,0,0,0|3,0,0]=4 4482 B12R1.28 COCCSc1cc(cnn1)N 62a_100011996757_100000233755 [0,1,0,0,0,0|3,0,0]=4 4483 B12R1.28 COCCSc1cc(cnn1)O 62a_100000233755_200010734679 [0,1,0,0,0,0|3,0,0]=4 4484 B12R1.28 COCCSc1cc(ncn1)C 62a_100000233755_100000744208 [0,1,0,0,0,0|3,0,0]=4 4485 B12R1.28 COCCSc1cc(ncn1)C 62a_100000744208_100000233755 [0,1,0,0,0,0|3,0,0]=4 4486 B12R1.28 COCCSc1cc(ncn1)Cl 62a_100000233755_100010161198 [0,1,0,0,0,0|3,0,0]=4 4487 B12R1.28 COCCSc1cc(ncn1)Cl 62a_100010161198_100000233755 [0,1,0,0,0,0|3,0,0]=4 4488 B12R1.28 COCCSc1cc(ncn1)F 62a_100000233755_200009880791 [0,1,0,0,0,0|3,0,0]=4 4489 B12R1.28 COCCSc1cc(ncn1)F 62a_200009880791_100000233755 [0,1,0,0,0,0|3,0,0]=4 4490 B12R1.28 COCCSc1cc(ncn1)N 62a_100000233755_100000701291 [0,1,0,0,0,0|3,0,0]=4 4491 B12R1.28 COCCSc1cc(ncn1)N 62a_100000701291_100000233755 [0,1,0,0,0,0|3,0,0]=4 4492 B12R1.28 COCCSc1cc(ncn1)O 62a_100000233755_100000765262 [0,1,0,0,0,0|3,0,0]=4 4493 B12R1.28 COCCSc1cc[nH]c(=O)n1 62a_100000233755_200000134032 [0,1,0,0,0,0|3,0,0]=4 4494 B12R1.28 COCCSc1cccc(=O)[nH]1 62a_100000233755_100000752884 [0,1,0,0,0,0|2,0,1]=4 4495 B12R1.28 COCCSc1cccc(c1)Br 62a_100000233755_100000691529 [0,1,0,0,0,0|3,0,0]=4 4496 B12R1.28 COCCSc1cccc(c1)Br 62a_100000691529_100000233755 [0,1,0,0,0,0|3,0,0]=4 4497 B12R1.28 COCCSc1cccc(c1)Br 7a_200011756134_200000210301 [0,1,0,0,0,0|3,0,0]=4 4498 B12R1.28 COCCSc1cccc(c1)C 34a_200011432187_200000210301 [0,1,0,0,0,0|3,0,0]=4 4499 B12R1.28 COCCSc1cccc(c1)C 62a_100000233755_100011215228 [0,1,0,0,0,0|3,0,0]=4 4500 B12R1.28 COCCSc1cccc(c1)C 62a_100011215228_100000233755 [0,1,0,0,0,0|3,0,0]=4 4501 B12R1.28 COCCSc1cccc(c1)C 7a_200011432187_200000210301 [0,1,0,0,0,0|3,0,0]=4 4502 B12R1.28 COCCSc1cccc(c1)Cl 34a_200011721761_200000210301 [0,1,0,0,0,0|3,0,0]=4 4503 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000233755_100000699651 [0,1,0,0,0,0|3,0,0]=4 4504 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000699651_100000233755 [0,1,0,0,0,0|3,0,0]=4 4505 B12R1.28 COCCSc1cccc(c1)Cl 7a_200011721761_200000210301 [0,1,0,0,0,0|3,0,0]=4 4506 B12R1.28 COCCSc1cccc(c1)F 34a_200011996949_200000210301 [0,1,0,0,0,0|3,0,0]=4 4507 B12R1.28 COCCSc1cccc(c1)F 62a_100000233755_100000685547 [0,1,0,0,0,0|3,0,0]=4 4508 B12R1.28 COCCSc1cccc(c1)F 62a_100000685547_100000233755 [0,1,0,0,0,0|3,0,0]=4 4509 B12R1.28 COCCSc1cccc(c1)F 7a_200011996949_200000210301 [0,1,0,0,0,0|3,0,0]=4 4510 B12R1.28 COCCSc1cccc(c1)N 62a_100000210019_100000233755 [0,1,0,0,0,0|3,0,0]=4 4511 B12R1.28 COCCSc1cccc(c1)N 62a_100000233755_100000210019 [0,1,0,0,0,0|3,0,0]=4 4512 B12R1.28 COCCSc1cccc(c1)O 271570a_203496583355_200009815756 [0,1,0,0,0,0|3,0,0]=4 4513 B12R1.28 COCCSc1cccc(c1)O 62a_100000233755_100000211634 [0,1,0,0,0,0|3,0,0]=4 4514 B12R1.28 COCCSc1cccc(c1)[S] 62a_100000233755_114929384022 [0,1,0,0,0,0|3,0,0]=4 4515 B12R1.28 COCCSc1cccc(c1)[S] 62a_114929384022_100000233755 [0,1,0,0,0,0|3,0,0]=4 4516 B12R1.28 COCCSc1cccc(n1)Br 62a_100000233755_100000684672 [0,1,0,0,0,0|2,0,0]=3 4517 B12R1.28 COCCSc1cccc(n1)Br 62a_100000684672_100000233755 [0,1,0,0,0,0|2,0,0]=3 4518 B12R1.28 COCCSc1cccc(n1)C 62a_100000233755_100000742759 [0,1,0,0,0,0|2,0,0]=3 4519 B12R1.28 COCCSc1cccc(n1)C 62a_100000742759_100000233755 [0,1,0,0,0,0|2,0,0]=3 4520 B12R1.28 COCCSc1cccc(n1)Cl 62a_100000051397_100000233755 [0,1,0,0,0,0|2,0,0]=3 4521 B12R1.28 COCCSc1cccc(n1)Cl 62a_100000233755_100000051397 [0,1,0,0,0,0|2,0,0]=3 4522 B12R1.28 COCCSc1cccc(n1)F 62a_100000233755_100009815982 [0,1,0,0,0,0|2,0,0]=3 4523 B12R1.28 COCCSc1cccc(n1)F 62a_100009815982_100000233755 [0,1,0,0,0,0|2,0,0]=3 4524 B12R1.28 COCCSc1cccc(n1)N 62a_100000233755_100000740741 [0,1,0,0,0,0|2,0,0]=3 4525 B12R1.28 COCCSc1cccc(n1)N 62a_100000740741_100000233755 [0,1,0,0,0,0|2,0,0]=3 4526 B12R1.28 COCCSc1ccnc(n1)C 62a_100000233755_100000749937 [0,1,0,0,0,0|3,0,0]=4 4527 B12R1.28 COCCSc1ccnc(n1)C 62a_100000749937_100000233755 [0,1,0,0,0,0|3,0,0]=4 4528 B12R1.28 COCCSc1ccnc(n1)Cl 62a_100000233755_100010154678 [0,1,0,0,0,0|3,0,0]=4 4529 B12R1.28 COCCSc1ccnc(n1)Cl 62a_100010154678_100000233755 [0,1,0,0,0,0|3,0,0]=4 4530 B12R1.28 COCCSc1ccnc(n1)N 62a_100000055538_100000233755 [0,1,0,0,0,0|3,0,0]=4 4531 B12R1.28 COCCSc1ccnc(n1)N 62a_100000233755_100000055538 [0,1,0,0,0,0|3,0,0]=4 4532 B12R1.28 COCCSc1cncc(n1)C 62a_100000233755_100000754123 [0,1,0,0,0,0|3,0,0]=4 4533 B12R1.28 COCCSc1cncc(n1)C 62a_100000754123_100000233755 [0,1,0,0,0,0|3,0,0]=4 4534 B12R1.28 COCCSc1cncc(n1)Cl 62a_100000233755_100010892449 [0,1,0,0,0,0|3,0,0]=4 4535 B12R1.28 COCCSc1cncc(n1)Cl 62a_100010892449_100000233755 [0,1,0,0,0,0|3,0,0]=4 4536 B12R1.28 COCCSc1cncc(n1)F 62a_100000233755_200009863489 [0,1,0,0,0,0|3,0,0]=4 4537 B12R1.28 COCCSc1cncc(n1)F 62a_200009863489_100000233755 [0,1,0,0,0,0|3,0,0]=4 4538 B12R1.28 COCCSc1cncc(n1)N 62a_100000233755_100000747728 [0,1,0,0,0,0|3,0,0]=4 4539 B12R1.28 COCCSc1cncc(n1)N 62a_100000747728_100000233755 [0,1,0,0,0,0|3,0,0]=4 4540 B12R1.28 COCCSc1cncc(n1)O 62a_100000233755_100011269956 [0,1,0,0,0,0|3,0,0]=4 4541 B12R1.28 COCCSc1nccc(n1)C 62a_100000233755_100011243806 [0,1,0,0,0,0|3,0,0]=4 4542 B12R1.28 COCCSc1nccc(n1)C 62a_100011243806_100000233755 [0,1,0,0,0,0|3,0,0]=4 4543 B12R1.28 COCCSc1nccc(n1)N 62a_100000233755_100000757536 [0,1,0,0,0,0|3,0,0]=4 4544 B12R1.28 COCCSc1nccc(n1)N 62a_100000757536_100000233755 [0,1,0,0,0,0|3,0,0]=4 4545 B12R1.28 COCCSc1nccc(n1)O 62a_100000233755_100011649813 [0,1,0,0,0,0|3,0,0]=4 4546 B12R1.28 COCNCc1cccc(=O)[nH]1 2230a_100000696482_100000766300 [0,1,0,0,0,0|2,0,1]=4 4547 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,1,0,0,0,0|3,0,0]=4 4548 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,1,0,0,0,0|3,0,0]=4 4549 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,1,0,0,0,0|3,0,0]=4 4550 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,1,0,0,0,0|3,0,0]=4 4551 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,1,0,0,0,0|3,0,0]=4 4552 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,1,0,0,0,0|3,0,0]=4 4553 B12R1.28 COCNCc1cccc(n1)Br 2230a_100016987751_100000766300 [0,1,0,0,0,0|2,0,0]=3 4554 B12R1.28 COCNCc1cccc(n1)Cl 2230a_100016990191_100000766300 [0,1,0,0,0,0|2,0,0]=3 4555 B12R1.28 COCNCc1cccc(n1)F 2230a_100015188798_100000766300 [0,1,0,0,0,0|2,0,0]=3 4556 B12R1.28 COCNCc1nccc(n1)C 2230a_100015186494_100000766300 [0,1,0,0,0,0|3,0,0]=4 4557 B12R1.28 COCSCc1cc(ccn1)Br 62a_100000766300_100010173614 [0,1,0,0,0,0|2,0,0]=3 4558 B12R1.28 COCSCc1cc(ccn1)Br 62a_100010173614_100000766300 [0,1,0,0,0,0|2,0,0]=3 4559 B12R1.28 COCSCc1cc(ccn1)C 62a_100000718516_100000766300 [0,1,0,0,0,0|2,0,0]=3 4560 B12R1.28 COCSCc1cc(ccn1)C 62a_100000766300_100000718516 [0,1,0,0,0,0|2,0,0]=3 4561 B12R1.28 COCSCc1cc(ccn1)Cl 62a_100000766300_100016988179 [0,1,0,0,0,0|2,0,0]=3 4562 B12R1.28 COCSCc1cc(ccn1)Cl 62a_100016988179_100000766300 [0,1,0,0,0,0|2,0,0]=3 4563 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [0,1,0,0,0,0|3,0,0]=4 4564 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [0,1,0,0,0,0|3,0,0]=4 4565 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [0,1,0,0,0,0|3,0,0]=4 4566 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [0,1,0,0,0,0|3,0,0]=4 4567 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [0,1,0,0,0,0|3,0,0]=4 4568 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [0,1,0,0,0,0|3,0,0]=4 4569 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [0,1,0,0,0,0|3,0,0]=4 4570 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [0,1,0,0,0,0|3,0,0]=4 4571 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [0,1,0,0,0,0|3,0,0]=4 4572 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [0,1,0,0,0,0|3,0,0]=4 4573 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [0,1,0,0,0,0|3,0,0]=4 4574 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [0,1,0,0,0,0|3,0,0]=4 4575 B12R1.28 COCSCc1cccc(n1)Br 62a_100000766300_100009889011 [0,1,0,0,0,0|2,0,0]=3 4576 B12R1.28 COCSCc1cccc(n1)Br 62a_100009889011_100000766300 [0,1,0,0,0,0|2,0,0]=3 4577 B12R1.28 COCSCc1cccc(n1)C 62a_100000757606_100000766300 [0,1,0,0,0,0|2,0,0]=3 4578 B12R1.28 COCSCc1cccc(n1)C 62a_100000766300_100000757606 [0,1,0,0,0,0|2,0,0]=3 4579 B12R1.28 COCSCc1cccc(n1)Cl 62a_100000086093_100000766300 [0,1,0,0,0,0|2,0,0]=3 4580 B12R1.28 COCSCc1cccc(n1)Cl 62a_100000766300_100000086093 [0,1,0,0,0,0|2,0,0]=3 4581 B12R1.28 COCSCc1cccc(n1)F 62a_100000766300_100009819644 [0,1,0,0,0,0|2,0,0]=3 4582 B12R1.28 COCSCc1cccc(n1)F 62a_100009819644_100000766300 [0,1,0,0,0,0|2,0,0]=3 4583 B12R1.28 COCSCc1ccnc(n1)Cl 62a_100000099655_100000766300 [0,1,0,0,0,0|3,0,0]=4 4584 B12R1.28 COCSCc1ccnc(n1)Cl 62a_100000766300_100000099655 [0,1,0,0,0,0|3,0,0]=4 4585 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [0,1,0,0,0,0|2,0,0]=3 4586 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [0,1,0,0,0,0|2,0,0]=3 4587 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [0,1,0,0,0,0|2,0,0]=3 4588 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [0,1,0,0,0,0|2,0,0]=3 4589 B12R1.28 CSCCNc1c[n+](ccn1)[O-] 27a_100020590264_100009880115 [0,1,0,0,0,0|3,0,0]=4 4590 B12R1.28 CSCCNc1cc(ccn1)F 27a_100020590264_100000764206 [0,1,0,0,0,0|2,0,0]=3 4591 B12R1.28 CSCCNc1cc(cnn1)C 27a_100020590264_100000070100 [0,1,0,0,0,0|3,0,0]=4 4592 B12R1.28 CSCCNc1cc(ncn1)C 27a_100020590264_100000744208 [0,1,0,0,0,0|3,0,0]=4 4593 B12R1.28 CSCCNc1cc(ncn1)F 27a_100020590264_200009880791 [0,1,0,0,0,0|3,0,0]=4 4594 B12R1.28 CSCCNc1cc(ncn1)N 27a_100020590264_100000701291 [0,1,0,0,0,0|3,0,0]=4 4595 B12R1.28 CSCCNc1cc(ncn1)O 27a_100020590264_100000765262 [0,1,0,0,0,0|3,0,0]=4 4596 B12R1.28 CSCCNc1cc[nH]c(=O)n1 27a_100020590264_200000134032 [0,1,0,0,0,0|3,0,0]=4 4597 B12R1.28 CSCCNc1cccc(c1)Br 34a_100000210019_100000212216 [0,1,0,0,0,0|3,0,0]=4 4598 B12R1.28 CSCCNc1cccc(c1)C 2230a_100000188690_100000751147 [0,1,0,0,0,0|3,0,0]=4 4599 B12R1.28 CSCCNc1cccc(c1)C 34a_100000188690_100000212216 [0,1,0,0,0,0|3,0,0]=4 4600 B12R1.28 CSCCNc1cccc(c1)Cl 34a_100000185859_100000212216 [0,1,0,0,0,0|3,0,0]=4 4601 B12R1.28 CSCCNc1cccc(c1)F 34a_100000210047_100000212216 [0,1,0,0,0,0|3,0,0]=4 4602 B12R1.28 CSCCNc1cccc(c1)I 34a_100000211102_100000212216 [0,1,0,0,0,0|3,0,0]=4 4603 B12R1.28 CSCCNc1cccc(c1)O 34a_100000210217_100000212216 [0,1,0,0,0,0|3,0,0]=4 4604 B12R1.28 CSCCNc1cccc(n1)F 27a_100020590264_100009815982 [0,1,0,0,0,0|2,0,0]=3 4605 B12R1.28 CSCCNc1ccnc(n1)C 27a_100020590264_100000749937 [0,1,0,0,0,0|3,0,0]=4 4606 B12R1.28 CSCCNc1ccnc(n1)N 27a_100020590264_100000055538 [0,1,0,0,0,0|3,0,0]=4 4607 B12R1.28 CSCCNc1cncc(n1)C 27a_100020590264_100000754123 [0,1,0,0,0,0|3,0,0]=4 4608 B12R1.28 CSCCNc1cncc(n1)Cl 27a_100020590264_100010892449 [0,1,0,0,0,0|3,0,0]=4 4609 B12R1.28 CSCCNc1cncc(n1)F 27a_100020590264_200009863489 [0,1,0,0,0,0|3,0,0]=4 4610 B12R1.28 CSCCNc1nccc(n1)C 27a_100020590264_100000750684 [0,1,0,0,0,0|3,0,0]=4 4611 B12R1.28 CSCCNc1nccc(n1)N 27a_100020590264_100000757536 [0,1,0,0,0,0|3,0,0]=4 4612 B12R1.28 CSCCNc1nccc(n1)O 27a_100020590264_100011649813 [0,1,0,0,0,0|3,0,0]=4 4613 B12R1.28 CSCCOc1cc(cnn1)C 34a_100000766097_100000212216 [0,1,0,0,0,0|3,0,0]=4 4614 B12R1.28 CSCCOc1cccc(=O)[nH]1 34a_100000033347_100000212216 [0,1,0,0,0,0|2,0,1]=4 4615 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [0,1,0,0,0,0|3,0,0]=4 4616 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [0,1,0,0,0,0|3,0,0]=4 4617 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [0,1,0,0,0,0|3,0,0]=4 4618 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [0,1,0,0,0,0|3,0,0]=4 4619 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [0,1,0,0,0,0|3,0,0]=4 4620 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [0,1,0,0,0,0|3,0,0]=4 4621 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [0,1,0,0,0,0|3,0,0]=4 4622 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [0,1,0,0,0,0|3,0,0]=4 4623 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [0,1,0,0,0,0|3,0,0]=4 4624 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [0,1,0,0,0,0|3,0,0]=4 4625 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [0,1,0,0,0,0|3,0,0]=4 4626 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [0,1,0,0,0,0|3,0,0]=4 4627 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [0,1,0,0,0,0|3,0,0]=4 4628 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [0,1,0,0,0,0|3,0,0]=4 4629 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [0,1,0,0,0,0|3,0,0]=4 4630 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [0,1,0,0,0,0|3,0,0]=4 4631 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [0,1,0,0,0,0|3,0,0]=4 4632 B12R1.28 CSCCOc1cccc(n1)F 34a_100011432558_100000212216 [0,1,0,0,0,0|2,0,0]=3 4633 B12R1.28 CSCCSc1c[n+](ccn1)[O-] 62a_100000212216_100009880115 [0,1,0,0,0,0|3,0,0]=4 4634 B12R1.28 CSCCSc1cc(=O)[nH]cn1 62a_100012002517_100000751147 [0,1,0,0,0,0|3,0,0]=4 4635 B12R1.28 CSCCSc1cc(=O)cc[nH]1 62a_100009817434_100000751147 [0,1,0,0,0,0|2,0,1]=4 4636 B12R1.28 CSCCSc1cc(ccn1)C 62a_100000212216_100000750283 [0,1,0,0,0,0|2,0,0]=3 4637 B12R1.28 CSCCSc1cc(ccn1)C 62a_100000750283_100000751147 [0,1,0,0,0,0|2,0,0]=3 4638 B12R1.28 CSCCSc1cc(ccn1)Cl 62a_100000212216_100010167805 [0,1,0,0,0,0|2,0,0]=3 4639 B12R1.28 CSCCSc1cc(ccn1)Cl 62a_100010167805_100000751147 [0,1,0,0,0,0|2,0,0]=3 4640 B12R1.28 CSCCSc1cc(ccn1)F 62a_100000212216_100000764206 [0,1,0,0,0,0|2,0,0]=3 4641 B12R1.28 CSCCSc1cc(ccn1)F 62a_100000764206_100000751147 [0,1,0,0,0,0|2,0,0]=3 4642 B12R1.28 CSCCSc1cc(ccn1)N 62a_100000212216_100009814236 [0,1,0,0,0,0|2,0,0]=3 4643 B12R1.28 CSCCSc1cc(ccn1)N 62a_100009814236_100000751147 [0,1,0,0,0,0|2,0,0]=3 4644 B12R1.28 CSCCSc1cc(ccn1)O 62a_100000212216_100000762945 [0,1,0,0,0,0|2,0,0]=3 4645 B12R1.28 CSCCSc1cc(cnn1)C 62a_100000070100_100000751147 [0,1,0,0,0,0|3,0,0]=4 4646 B12R1.28 CSCCSc1cc(cnn1)C 62a_100000212216_100000070100 [0,1,0,0,0,0|3,0,0]=4 4647 B12R1.28 CSCCSc1cc(cnn1)N 62a_100000212216_100011996757 [0,1,0,0,0,0|3,0,0]=4 4648 B12R1.28 CSCCSc1cc(cnn1)N 62a_100011996757_100000751147 [0,1,0,0,0,0|3,0,0]=4 4649 B12R1.28 CSCCSc1cc(cnn1)O 62a_100000212216_200010734679 [0,1,0,0,0,0|3,0,0]=4 4650 B12R1.28 CSCCSc1cc(ncn1)C 62a_100000212216_100000744208 [0,1,0,0,0,0|3,0,0]=4 4651 B12R1.28 CSCCSc1cc(ncn1)C 62a_100000744208_100000751147 [0,1,0,0,0,0|3,0,0]=4 4652 B12R1.28 CSCCSc1cc(ncn1)Cl 62a_100000212216_100010161198 [0,1,0,0,0,0|3,0,0]=4 4653 B12R1.28 CSCCSc1cc(ncn1)Cl 62a_100010161198_100000751147 [0,1,0,0,0,0|3,0,0]=4 4654 B12R1.28 CSCCSc1cc(ncn1)F 62a_100000212216_200009880791 [0,1,0,0,0,0|3,0,0]=4 4655 B12R1.28 CSCCSc1cc(ncn1)F 62a_200009880791_100000751147 [0,1,0,0,0,0|3,0,0]=4 4656 B12R1.28 CSCCSc1cc(ncn1)N 62a_100000212216_100000701291 [0,1,0,0,0,0|3,0,0]=4 4657 B12R1.28 CSCCSc1cc(ncn1)N 62a_100000701291_100000751147 [0,1,0,0,0,0|3,0,0]=4 4658 B12R1.28 CSCCSc1cc(ncn1)O 62a_100000212216_100000765262 [0,1,0,0,0,0|3,0,0]=4 4659 B12R1.28 CSCCSc1cc[nH]c(=O)n1 62a_100000212216_200000134032 [0,1,0,0,0,0|3,0,0]=4 4660 B12R1.28 CSCCSc1cccc(=O)[nH]1 62a_100000212216_100000752884 [0,1,0,0,0,0|2,0,1]=4 4661 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000212216_100000691529 [0,1,0,0,0,0|3,0,0]=4 4662 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000691529_100000751147 [0,1,0,0,0,0|3,0,0]=4 4663 B12R1.28 CSCCSc1cccc(c1)C 62a_100000212216_100011215228 [0,1,0,0,0,0|3,0,0]=4 4664 B12R1.28 CSCCSc1cccc(c1)C 62a_100011215228_100000751147 [0,1,0,0,0,0|3,0,0]=4 4665 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000212216_100000699651 [0,1,0,0,0,0|3,0,0]=4 4666 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000699651_100000751147 [0,1,0,0,0,0|3,0,0]=4 4667 B12R1.28 CSCCSc1cccc(c1)F 62a_100000212216_100000685547 [0,1,0,0,0,0|3,0,0]=4 4668 B12R1.28 CSCCSc1cccc(c1)F 62a_100000685547_100000751147 [0,1,0,0,0,0|3,0,0]=4 4669 B12R1.28 CSCCSc1cccc(c1)N 62a_100000210019_100000751147 [0,1,0,0,0,0|3,0,0]=4 4670 B12R1.28 CSCCSc1cccc(c1)N 62a_100000212216_100000210019 [0,1,0,0,0,0|3,0,0]=4 4671 B12R1.28 CSCCSc1cccc(c1)O 62a_100000212216_100000211634 [0,1,0,0,0,0|3,0,0]=4 4672 B12R1.28 CSCCSc1cccc(c1)[S] 62a_100000212216_114929384022 [0,1,0,0,0,0|3,0,0]=4 4673 B12R1.28 CSCCSc1cccc(c1)[S] 62a_114929384022_100000751147 [0,1,0,0,0,0|3,0,0]=4 4674 B12R1.28 CSCCSc1cccc(n1)Br 62a_100000212216_100000684672 [0,1,0,0,0,0|2,0,0]=3 4675 B12R1.28 CSCCSc1cccc(n1)Br 62a_100000684672_100000751147 [0,1,0,0,0,0|2,0,0]=3 4676 B12R1.28 CSCCSc1cccc(n1)C 62a_100000212216_100000742759 [0,1,0,0,0,0|2,0,0]=3 4677 B12R1.28 CSCCSc1cccc(n1)C 62a_100000742759_100000751147 [0,1,0,0,0,0|2,0,0]=3 4678 B12R1.28 CSCCSc1cccc(n1)Cl 62a_100000051397_100000751147 [0,1,0,0,0,0|2,0,0]=3 4679 B12R1.28 CSCCSc1cccc(n1)Cl 62a_100000212216_100000051397 [0,1,0,0,0,0|2,0,0]=3 4680 B12R1.28 CSCCSc1cccc(n1)F 62a_100000212216_100009815982 [0,1,0,0,0,0|2,0,0]=3 4681 B12R1.28 CSCCSc1cccc(n1)F 62a_100009815982_100000751147 [0,1,0,0,0,0|2,0,0]=3 4682 B12R1.28 CSCCSc1cccc(n1)N 62a_100000212216_100000740741 [0,1,0,0,0,0|2,0,0]=3 4683 B12R1.28 CSCCSc1cccc(n1)N 62a_100000740741_100000751147 [0,1,0,0,0,0|2,0,0]=3 4684 B12R1.28 CSCCSc1ccnc(n1)C 62a_100000212216_100000749937 [0,1,0,0,0,0|3,0,0]=4 4685 B12R1.28 CSCCSc1ccnc(n1)C 62a_100000749937_100000751147 [0,1,0,0,0,0|3,0,0]=4 4686 B12R1.28 CSCCSc1ccnc(n1)Cl 62a_100000212216_100010154678 [0,1,0,0,0,0|3,0,0]=4 4687 B12R1.28 CSCCSc1ccnc(n1)Cl 62a_100010154678_100000751147 [0,1,0,0,0,0|3,0,0]=4 4688 B12R1.28 CSCCSc1ccnc(n1)N 62a_100000055538_100000751147 [0,1,0,0,0,0|3,0,0]=4 4689 B12R1.28 CSCCSc1ccnc(n1)N 62a_100000212216_100000055538 [0,1,0,0,0,0|3,0,0]=4 4690 B12R1.28 CSCCSc1cncc(n1)C 62a_100000212216_100000754123 [0,1,0,0,0,0|3,0,0]=4 4691 B12R1.28 CSCCSc1cncc(n1)C 62a_100000754123_100000751147 [0,1,0,0,0,0|3,0,0]=4 4692 B12R1.28 CSCCSc1cncc(n1)Cl 62a_100000212216_100010892449 [0,1,0,0,0,0|3,0,0]=4 4693 B12R1.28 CSCCSc1cncc(n1)Cl 62a_100010892449_100000751147 [0,1,0,0,0,0|3,0,0]=4 4694 B12R1.28 CSCCSc1cncc(n1)F 62a_100000212216_200009863489 [0,1,0,0,0,0|3,0,0]=4 4695 B12R1.28 CSCCSc1cncc(n1)F 62a_200009863489_100000751147 [0,1,0,0,0,0|3,0,0]=4 4696 B12R1.28 CSCCSc1cncc(n1)N 62a_100000212216_100000747728 [0,1,0,0,0,0|3,0,0]=4 4697 B12R1.28 CSCCSc1cncc(n1)N 62a_100000747728_100000751147 [0,1,0,0,0,0|3,0,0]=4 4698 B12R1.28 CSCCSc1cncc(n1)O 62a_100000212216_100011269956 [0,1,0,0,0,0|3,0,0]=4 4699 B12R1.28 CSCCSc1nccc(n1)C 62a_100000212216_100011243806 [0,1,0,0,0,0|3,0,0]=4 4700 B12R1.28 CSCCSc1nccc(n1)C 62a_100011243806_100000751147 [0,1,0,0,0,0|3,0,0]=4 4701 B12R1.28 CSCCSc1nccc(n1)N 62a_100000212216_100000757536 [0,1,0,0,0,0|3,0,0]=4 4702 B12R1.28 CSCCSc1nccc(n1)N 62a_100000757536_100000751147 [0,1,0,0,0,0|3,0,0]=4 4703 B12R1.28 CSCCSc1nccc(n1)O 62a_100000212216_100011649813 [0,1,0,0,0,0|3,0,0]=4 4704 B12R1.28 CSCNCc1cccc(=O)[nH]1 2230a_100000696482_100011218213 [0,1,0,0,0,0|2,0,1]=4 4705 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [0,1,0,0,0,0|3,0,0]=4 4706 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [0,1,0,0,0,0|3,0,0]=4 4707 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [0,1,0,0,0,0|3,0,0]=4 4708 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [0,1,0,0,0,0|3,0,0]=4 4709 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [0,1,0,0,0,0|3,0,0]=4 4710 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [0,1,0,0,0,0|3,0,0]=4 4711 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [0,1,0,0,0,0|3,0,0]=4 4712 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [0,1,0,0,0,0|3,0,0]=4 4713 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [0,1,0,0,0,0|3,0,0]=4 4714 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [0,1,0,0,0,0|3,0,0]=4 4715 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [0,1,0,0,0,0|3,0,0]=4 4716 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [0,1,0,0,0,0|3,0,0]=4 4717 B12R1.28 CSCNCc1cccc(n1)Br 2230a_100016987751_100011218213 [0,1,0,0,0,0|2,0,0]=3 4718 B12R1.28 CSCNCc1cccc(n1)C 34a_100000701342_100011218213 [0,1,0,0,0,0|2,0,0]=3 4719 B12R1.28 CSCNCc1cccc(n1)Cl 2230a_100016990191_100011218213 [0,1,0,0,0,0|2,0,0]=3 4720 B12R1.28 CSCNCc1cccc(n1)F 2230a_100015188798_100011218213 [0,1,0,0,0,0|2,0,0]=3 4721 B12R1.28 CSCNCc1cccc(n1)F 34a_100015188798_100011218213 [0,1,0,0,0,0|2,0,0]=3 4722 B12R1.28 CSCNCc1nccc(n1)C 2230a_100015186494_100011218213 [0,1,0,0,0,0|3,0,0]=4 4723 B12R1.28 CSCOCc1cc(ccn1)C 34a_100011998357_100011218213 [0,1,0,0,0,0|2,0,0]=3 4724 B12R1.28 CSCOCc1cc(ccn1)Cl 34a_100000748867_100011218213 [0,1,0,0,0,0|2,0,0]=3 4725 B12R1.28 CSCOCc1cc(ccn1)N 34a_100000692640_100011218213 [0,1,0,0,0,0|2,0,0]=3 4726 B12R1.28 CSCOCc1cc(cnn1)C 34a_100016212594_100011218213 [0,1,0,0,0,0|3,0,0]=4 4727 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [0,1,0,0,0,0|3,0,0]=4 4728 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [0,1,0,0,0,0|3,0,0]=4 4729 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [0,1,0,0,0,0|3,0,0]=4 4730 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [0,1,0,0,0,0|3,0,0]=4 4731 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [0,1,0,0,0,0|3,0,0]=4 4732 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [0,1,0,0,0,0|3,0,0]=4 4733 B12R1.28 CSCOCc1cccc(n1)Br 34a_100000694195_100011218213 [0,1,0,0,0,0|2,0,0]=3 4734 B12R1.28 CSCOCc1cccc(n1)C 34a_100000690600_100011218213 [0,1,0,0,0,0|2,0,0]=3 4735 B12R1.28 CSCOCc1cccc(n1)Cl 34a_100011998359_100011218213 [0,1,0,0,0,0|2,0,0]=3 4736 B12R1.28 CSCOCc1cccc(n1)F 34a_100000086748_100011218213 [0,1,0,0,0,0|2,0,0]=3 4737 B12R1.28 CSCSCc1cc(ccn1)Br 62a_100010173614_100011218213 [0,1,0,0,0,0|2,0,0]=3 4738 B12R1.28 CSCSCc1cc(ccn1)Br 62a_100011218213_100010173614 [0,1,0,0,0,0|2,0,0]=3 4739 B12R1.28 CSCSCc1cc(ccn1)C 62a_100000718516_100011218213 [0,1,0,0,0,0|2,0,0]=3 4740 B12R1.28 CSCSCc1cc(ccn1)C 62a_100011218213_100000718516 [0,1,0,0,0,0|2,0,0]=3 4741 B12R1.28 CSCSCc1cc(ccn1)Cl 62a_100011218213_100016988179 [0,1,0,0,0,0|2,0,0]=3 4742 B12R1.28 CSCSCc1cc(ccn1)Cl 62a_100016988179_100011218213 [0,1,0,0,0,0|2,0,0]=3 4743 B12R1.28 CSCSCc1cccc(c1)Br 62a_100000211773_100011218213 [0,1,0,0,0,0|3,0,0]=4 4744 B12R1.28 CSCSCc1cccc(c1)Br 62a_100011218213_100000211773 [0,1,0,0,0,0|3,0,0]=4 4745 B12R1.28 CSCSCc1cccc(c1)C 62a_100000211840_100011218213 [0,1,0,0,0,0|3,0,0]=4 4746 B12R1.28 CSCSCc1cccc(c1)C 62a_100011218213_100000211840 [0,1,0,0,0,0|3,0,0]=4 4747 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100000187163_100011218213 [0,1,0,0,0,0|3,0,0]=4 4748 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100011218213_100000187163 [0,1,0,0,0,0|3,0,0]=4 4749 B12R1.28 CSCSCc1cccc(c1)F 62a_100000230114_100011218213 [0,1,0,0,0,0|3,0,0]=4 4750 B12R1.28 CSCSCc1cccc(c1)F 62a_100011218213_100000230114 [0,1,0,0,0,0|3,0,0]=4 4751 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218213_100011218688 [0,1,0,0,0,0|3,0,0]=4 4752 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218688_100011218213 [0,1,0,0,0,0|3,0,0]=4 4753 B12R1.28 CSCSCc1cccc(c1)O 62a_100011218213_100011660834 [0,1,0,0,0,0|3,0,0]=4 4754 B12R1.28 CSCSCc1cccc(c1)O 62a_100011660834_100011218213 [0,1,0,0,0,0|3,0,0]=4 4755 B12R1.28 CSCSCc1cccc(n1)Br 62a_100009889011_100011218213 [0,1,0,0,0,0|2,0,0]=3 4756 B12R1.28 CSCSCc1cccc(n1)Br 62a_100011218213_100009889011 [0,1,0,0,0,0|2,0,0]=3 4757 B12R1.28 CSCSCc1cccc(n1)C 62a_100000757606_100011218213 [0,1,0,0,0,0|2,0,0]=3 4758 B12R1.28 CSCSCc1cccc(n1)C 62a_100011218213_100000757606 [0,1,0,0,0,0|2,0,0]=3 4759 B12R1.28 CSCSCc1cccc(n1)Cl 62a_100000086093_100011218213 [0,1,0,0,0,0|2,0,0]=3 4760 B12R1.28 CSCSCc1cccc(n1)Cl 62a_100011218213_100000086093 [0,1,0,0,0,0|2,0,0]=3 4761 B12R1.28 CSCSCc1cccc(n1)F 62a_100009819644_100011218213 [0,1,0,0,0,0|2,0,0]=3 4762 B12R1.28 CSCSCc1cccc(n1)F 62a_100011218213_100009819644 [0,1,0,0,0,0|2,0,0]=3 4763 B12R1.28 CSCSCc1ccnc(n1)Cl 62a_100000099655_100011218213 [0,1,0,0,0,0|3,0,0]=4 4764 B12R1.28 CSCSCc1ccnc(n1)Cl 62a_100011218213_100000099655 [0,1,0,0,0,0|3,0,0]=4 4765 B12R1.28 Cc1cc(ncn1)NCCCF 27a_100015189416_100000744208 [0,1,0,0,0,0|3,0,0]=4 4766 B12R1.28 Cc1cc(ncn1)NCCCO 27a_100000182051_100000744208 [0,1,0,0,0,0|3,0,0]=4 4767 B12R1.28 Cc1cc(ncn1)SCCCF 62a_100000744208_100011934791 [0,1,0,0,0,0|3,0,0]=4 4768 B12R1.28 Cc1cc(ncn1)SCCCF 62a_100011934791_100000744208 [0,1,0,0,0,0|3,0,0]=4 4769 B12R1.28 Cc1cc(ncn1)SCCCO 62a_100000744208_100011215043 [0,1,0,0,0,0|3,0,0]=4 4770 B12R1.28 Cc1cc(ncn1)SCCCO 62a_100011215043_100000744208 [0,1,0,0,0,0|3,0,0]=4 4771 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [0,1,0,0,0,0|2,0,0]=3 4772 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [0,1,0,0,0,0|2,0,0]=3 4773 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [0,1,0,0,0,0|3,0,0]=4 4774 B12R1.28 Cc1cccc(c1)CCOCF 34a_100011217157_100015361967 [0,1,0,0,0,0|3,0,0]=4 4775 B12R1.28 Cc1cccc(c1)CCOCF 7a_100011217157_100015361967 [0,1,0,0,0,0|3,0,0]=4 4776 B12R1.28 Cc1cccc(c1)CCSCF 62a_100011713685_100015361967 [0,1,0,0,0,0|3,0,0]=4 4777 B12R1.28 Cc1cccc(c1)CCSCF 62a_100015361967_100011713685 [0,1,0,0,0,0|3,0,0]=4 4778 B12R1.28 Cc1cccc(c1)CNCCF 2230a_100000185548_100011217306 [0,1,0,0,0,0|3,0,0]=4 4779 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000185548_100011217306 [0,1,0,0,0,0|3,0,0]=4 4780 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000724931_100000211840 [0,1,0,0,0,0|3,0,0]=4 4781 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [0,1,0,0,0,0|3,0,0]=4 4782 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [0,1,0,0,0,0|3,0,0]=4 4783 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [0,1,0,0,0,0|3,0,0]=4 4784 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [0,1,0,0,0,0|3,0,0]=4 4785 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [0,1,0,0,0,0|3,0,0]=4 4786 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [0,1,0,0,0,0|3,0,0]=4 4787 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [0,1,0,0,0,0|3,0,0]=4 4788 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [0,1,0,0,0,0|3,0,0]=4 4789 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [0,1,0,0,0,0|3,0,0]=4 4790 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [0,1,0,0,0,0|3,0,0]=4 4791 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [0,1,0,0,0,0|3,0,0]=4 4792 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [0,1,0,0,0,0|3,0,0]=4 4793 B12R1.28 Cc1cccc(c1)CSCCF 62a_100000211840_100011217306 [0,1,0,0,0,0|3,0,0]=4 4794 B12R1.28 Cc1cccc(c1)CSCCF 62a_100011217306_100000211840 [0,1,0,0,0,0|3,0,0]=4 4795 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211840_100000211926 [0,1,0,0,0,0|3,0,0]=4 4796 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211926_100000211840 [0,1,0,0,0,0|3,0,0]=4 4797 B12R1.28 Cc1cccc(c1)NCCCF 2230a_100000188690_100011934791 [0,1,0,0,0,0|3,0,0]=4 4798 B12R1.28 Cc1cccc(c1)NCCCF 34a_100000188690_100011934791 [0,1,0,0,0,0|3,0,0]=4 4799 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [0,1,0,0,0,0|3,0,0]=4 4800 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [0,1,0,0,0,0|3,0,0]=4 4801 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [0,1,0,0,0,0|3,0,0]=4 4802 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [0,1,0,0,0,0|3,0,0]=4 4803 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [0,1,0,0,0,0|3,0,0]=4 4804 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [0,1,0,0,0,0|3,0,0]=4 4805 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [0,1,0,0,0,0|3,0,0]=4 4806 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [0,1,0,0,0,0|3,0,0]=4 4807 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [0,1,0,0,0,0|3,0,0]=4 4808 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [0,1,0,0,0,0|3,0,0]=4 4809 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011215228_100011934791 [0,1,0,0,0,0|3,0,0]=4 4810 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011934791_100011215228 [0,1,0,0,0,0|3,0,0]=4 4811 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [0,1,0,0,0,0|3,0,0]=4 4812 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [0,1,0,0,0,0|3,0,0]=4 4813 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 34a_200011432187_200025704644 [0,1,0,0,0,0|3,0,0]=4 4814 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 7a_200011432187_200025704644 [0,1,0,0,0,0|3,0,0]=4 4815 B12R1.28 Cc1cccc(n1)CCCO[13CH3] 34a_100000211354_200025704644 [0,1,0,0,0,0|1,0,0]=2 4816 B12R1.28 Cc1cccc(n1)CCNCF 34a_100011824523_100015361967 [0,1,0,0,0,0|2,0,0]=3 4817 B12R1.28 Cc1cccc(n1)CNCC=O 34a_100000701342_200009817547 [0,1,0,0,0,0|2,0,1]=4 4818 B12R1.28 Cc1cccc(n1)CNCCF 34a_100000701342_100011217306 [0,1,0,0,0,0|2,0,0]=3 4819 B12R1.28 Cc1cccc(n1)CNCCF 34a_100000724931_100000757606 [0,1,0,0,0,0|2,0,0]=3 4820 B12R1.28 Cc1cccc(n1)CNCCO 207a_100000210304_100011215050 [0,1,0,0,0,0|2,0,0]=3 4821 B12R1.28 Cc1cccc(n1)CNCCO 2230a_100016997473_100000757606 [0,1,0,0,0,0|2,0,0]=3 4822 B12R1.28 Cc1cccc(n1)CNCCO 270004a_100000210304_100011215050 [0,1,0,0,0,0|2,0,0]=3 4823 B12R1.28 Cc1cccc(n1)CNCCO 34a_100000701342_100000211926 [0,1,0,0,0,0|2,0,0]=3 4824 B12R1.28 Cc1cccc(n1)CNCCO 34a_100016990907_100000757606 [0,1,0,0,0,0|2,0,0]=3 4825 B12R1.28 Cc1cccc(n1)COCC=O 34a_100000690600_200009817547 [0,1,0,0,0,0|2,0,1]=4 4826 B12R1.28 Cc1cccc(n1)COCCBr 34a_100000211926_100000757606 [0,1,0,0,0,0|2,0,0]=3 4827 B12R1.28 Cc1cccc(n1)COCCF 34a_100000690600_100011217306 [0,1,0,0,0,0|2,0,0]=3 4828 B12R1.28 Cc1cccc(n1)COCCN 34a_100000210304_100000757606 [0,1,0,0,0,0|2,0,0]=3 4829 B12R1.28 Cc1cccc(n1)COCCO 34a_100000690600_100000211926 [0,1,0,0,0,0|2,0,0]=3 4830 B12R1.28 Cc1cccc(n1)CSCC#N 62a_100000757606_100011215382 [0,1,0,0,0,0|2,0,1]=4 4831 B12R1.28 Cc1cccc(n1)CSCC#N 62a_100011215382_100000757606 [0,1,0,0,0,0|2,0,1]=4 4832 B12R1.28 Cc1cccc(n1)CSCC=O 62a_100000757606_200015260668 [0,1,0,0,0,0|2,0,1]=4 4833 B12R1.28 Cc1cccc(n1)CSCC=O 62a_200015260668_100000757606 [0,1,0,0,0,0|2,0,1]=4 4834 B12R1.28 Cc1cccc(n1)CSCCF 62a_100000757606_100011217306 [0,1,0,0,0,0|2,0,0]=3 4835 B12R1.28 Cc1cccc(n1)CSCCF 62a_100011217306_100000757606 [0,1,0,0,0,0|2,0,0]=3 4836 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000211926_100000757606 [0,1,0,0,0,0|2,0,0]=3 4837 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000757606_100000211926 [0,1,0,0,0,0|2,0,0]=3 4838 B12R1.28 Cc1cccc(n1)SCCC#N 62a_100000742759_100011215226 [0,1,0,0,0,0|2,0,1]=4 4839 B12R1.28 Cc1cccc(n1)SCCC#N 62a_100011215226_100000742759 [0,1,0,0,0,0|2,0,1]=4 4840 B12R1.28 Cc1cccc(n1)SCCCF 62a_100000742759_100011934791 [0,1,0,0,0,0|2,0,0]=3 4841 B12R1.28 Cc1cccc(n1)SCCCF 62a_100011934791_100000742759 [0,1,0,0,0,0|2,0,0]=3 4842 B12R1.28 Cc1cccc(n1)SCCCO 62a_100000742759_100011215043 [0,1,0,0,0,0|2,0,0]=3 4843 B12R1.28 Cc1cccc(n1)SCCCO 62a_100011215043_100000742759 [0,1,0,0,0,0|2,0,0]=3 4844 B12R1.28 Cc1ccnc(c1)CNCCF 34a_100000724931_100000718516 [0,1,0,0,0,0|2,0,0]=3 4845 B12R1.28 Cc1ccnc(c1)CNCCO 207a_100000210304_100011361488 [0,1,0,0,0,0|2,0,0]=3 4846 B12R1.28 Cc1ccnc(c1)CNCCO 2230a_100016997473_100000718516 [0,1,0,0,0,0|2,0,0]=3 4847 B12R1.28 Cc1ccnc(c1)CNCCO 270004a_100000210304_100011361488 [0,1,0,0,0,0|2,0,0]=3 4848 B12R1.28 Cc1ccnc(c1)CNCCO 34a_100016990907_100000718516 [0,1,0,0,0,0|2,0,0]=3 4849 B12R1.28 Cc1ccnc(c1)COCC=O 34a_100011998357_200009817547 [0,1,0,0,0,0|2,0,1]=4 4850 B12R1.28 Cc1ccnc(c1)COCCBr 34a_100000211926_100000718516 [0,1,0,0,0,0|2,0,0]=3 4851 B12R1.28 Cc1ccnc(c1)COCCF 34a_100011998357_100011217306 [0,1,0,0,0,0|2,0,0]=3 4852 B12R1.28 Cc1ccnc(c1)COCCN 34a_100000210304_100000718516 [0,1,0,0,0,0|2,0,0]=3 4853 B12R1.28 Cc1ccnc(c1)COCCO 34a_100011998357_100000211926 [0,1,0,0,0,0|2,0,0]=3 4854 B12R1.28 Cc1ccnc(c1)CSCC#N 62a_100000718516_100011215382 [0,1,0,0,0,0|2,0,1]=4 4855 B12R1.28 Cc1ccnc(c1)CSCC#N 62a_100011215382_100000718516 [0,1,0,0,0,0|2,0,1]=4 4856 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_100000718516_200015260668 [0,1,0,0,0,0|2,0,1]=4 4857 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_200015260668_100000718516 [0,1,0,0,0,0|2,0,1]=4 4858 B12R1.28 Cc1ccnc(c1)CSCCF 62a_100000718516_100011217306 [0,1,0,0,0,0|2,0,0]=3 4859 B12R1.28 Cc1ccnc(c1)CSCCF 62a_100011217306_100000718516 [0,1,0,0,0,0|2,0,0]=3 4860 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000211926_100000718516 [0,1,0,0,0,0|2,0,0]=3 4861 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000718516_100000211926 [0,1,0,0,0,0|2,0,0]=3 4862 B12R1.28 Cc1ccnc(c1)SCCC#N 62a_100000750283_100011215226 [0,1,0,0,0,0|2,0,1]=4 4863 B12R1.28 Cc1ccnc(c1)SCCC#N 62a_100011215226_100000750283 [0,1,0,0,0,0|2,0,1]=4 4864 B12R1.28 Cc1ccnc(c1)SCCCF 62a_100000750283_100011934791 [0,1,0,0,0,0|2,0,0]=3 4865 B12R1.28 Cc1ccnc(c1)SCCCF 62a_100011934791_100000750283 [0,1,0,0,0,0|2,0,0]=3 4866 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100000750283_100011215043 [0,1,0,0,0,0|2,0,0]=3 4867 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100011215043_100000750283 [0,1,0,0,0,0|2,0,0]=3 4868 B12R1.28 Cc1ccnc(n1)CNCCF 2230a_100015186494_100011217306 [0,1,0,0,0,0|3,0,0]=4 4869 B12R1.28 Cc1ccnc(n1)CNCCO 2230a_100015186494_100000211926 [0,1,0,0,0,0|3,0,0]=4 4870 B12R1.28 Cc1ccnc(n1)NCCCF 27a_100015189416_100000750684 [0,1,0,0,0,0|3,0,0]=4 4871 B12R1.28 Cc1ccnc(n1)NCCCO 27a_100000182051_100000750684 [0,1,0,0,0,0|3,0,0]=4 4872 B12R1.28 Cc1ccnc(n1)SCCCF 62a_100011243806_100011934791 [0,1,0,0,0,0|3,0,0]=4 4873 B12R1.28 Cc1ccnc(n1)SCCCF 62a_100011934791_100011243806 [0,1,0,0,0,0|3,0,0]=4 4874 B12R1.28 Cc1ccnc(n1)SCCCO 62a_100011215043_100011243806 [0,1,0,0,0,0|3,0,0]=4 4875 B12R1.28 Cc1ccnc(n1)SCCCO 62a_100011243806_100011215043 [0,1,0,0,0,0|3,0,0]=4 4876 B12R1.28 Cc1cncc(n1)CNCCO 207a_100000210304_100000100294 [0,1,0,0,0,0|3,0,0]=4 4877 B12R1.28 Cc1cncc(n1)CNCCO 270004a_100000210304_100000100294 [0,1,0,0,0,0|3,0,0]=4 4878 B12R1.28 Cc1cncc(n1)NCCCF 27a_100015189416_100000754123 [0,1,0,0,0,0|3,0,0]=4 4879 B12R1.28 Cc1cncc(n1)NCCCO 27a_100000182051_100000754123 [0,1,0,0,0,0|3,0,0]=4 4880 B12R1.28 Cc1cncc(n1)SCCCF 62a_100000754123_100011934791 [0,1,0,0,0,0|3,0,0]=4 4881 B12R1.28 Cc1cncc(n1)SCCCF 62a_100011934791_100000754123 [0,1,0,0,0,0|3,0,0]=4 4882 B12R1.28 Cc1cncc(n1)SCCCO 62a_100000754123_100011215043 [0,1,0,0,0,0|3,0,0]=4 4883 B12R1.28 Cc1cncc(n1)SCCCO 62a_100011215043_100000754123 [0,1,0,0,0,0|3,0,0]=4 4884 B12R1.28 Cc1cnnc(c1)COCCF 34a_100016212594_100011217306 [0,1,0,0,0,0|3,0,0]=4 4885 B12R1.28 Cc1cnnc(c1)COCCO 34a_100016212594_100000211926 [0,1,0,0,0,0|3,0,0]=4 4886 B12R1.28 Cc1cnnc(c1)NCCCF 27a_100015189416_100000070100 [0,1,0,0,0,0|3,0,0]=4 4887 B12R1.28 Cc1cnnc(c1)NCCCO 27a_100000182051_100000070100 [0,1,0,0,0,0|3,0,0]=4 4888 B12R1.28 Cc1cnnc(c1)OCCCF 34a_100000766097_100011934791 [0,1,0,0,0,0|3,0,0]=4 4889 B12R1.28 Cc1cnnc(c1)OCCCO 34a_100000766097_100000230001 [0,1,0,0,0,0|3,0,0]=4 4890 B12R1.28 Cc1cnnc(c1)SCCCF 62a_100000070100_100011934791 [0,1,0,0,0,0|3,0,0]=4 4891 B12R1.28 Cc1cnnc(c1)SCCCF 62a_100011934791_100000070100 [0,1,0,0,0,0|3,0,0]=4 4892 B12R1.28 Cc1cnnc(c1)SCCCO 62a_100000070100_100011215043 [0,1,0,0,0,0|3,0,0]=4 4893 B12R1.28 Cc1cnnc(c1)SCCCO 62a_100011215043_100000070100 [0,1,0,0,0,0|3,0,0]=4 4894 B12R1.28 Cc1nccc(n1)CNCCO 270004a_100000210304_100011361539 [0,1,0,0,0,0|3,0,0]=4 4895 B12R1.28 Cc1nccc(n1)NCCCF 27a_100015189416_100000749937 [0,1,0,0,0,0|3,0,0]=4 4896 B12R1.28 Cc1nccc(n1)NCCCO 27a_100000182051_100000749937 [0,1,0,0,0,0|3,0,0]=4 4897 B12R1.28 Cc1nccc(n1)SCCCF 62a_100000749937_100011934791 [0,1,0,0,0,0|3,0,0]=4 4898 B12R1.28 Cc1nccc(n1)SCCCF 62a_100011934791_100000749937 [0,1,0,0,0,0|3,0,0]=4 4899 B12R1.28 Cc1nccc(n1)SCCCO 62a_100000749937_100011215043 [0,1,0,0,0,0|3,0,0]=4 4900 B12R1.28 Cc1nccc(n1)SCCCO 62a_100011215043_100000749937 [0,1,0,0,0,0|3,0,0]=4 4901 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [0,1,0,0,0,0|3,0,0]=4 4902 B12R1.28 Clc1cccc(n1)COCCBr 34a_100000211926_100000086093 [0,1,0,0,0,0|2,0,0]=3 4903 B12R1.28 Clc1ccnc(c1)COCCBr 34a_100000211926_100016988179 [0,1,0,0,0,0|2,0,0]=3 4904 B12R1.28 Clc1nccc(n1)COCCBr 34a_100000211926_100000099655 [0,1,0,0,0,0|3,0,0]=4 4905 B12R1.28 FCCCNc1cc(ccn1)F 27a_100015189416_100000764206 [0,1,0,0,0,0|2,0,0]=3 4906 B12R1.28 FCCCNc1cc(ncn1)F 27a_100015189416_200009880791 [0,1,0,0,0,0|3,0,0]=4 4907 B12R1.28 FCCCNc1cccc(c1)Br 34a_100000210019_100011934791 [0,1,0,0,0,0|3,0,0]=4 4908 B12R1.28 FCCCNc1cccc(c1)Cl 34a_100000185859_100011934791 [0,1,0,0,0,0|3,0,0]=4 4909 B12R1.28 FCCCNc1cccc(c1)F 34a_100000210047_100011934791 [0,1,0,0,0,0|3,0,0]=4 4910 B12R1.28 FCCCNc1cccc(c1)I 34a_100000211102_100011934791 [0,1,0,0,0,0|3,0,0]=4 4911 B12R1.28 FCCCNc1cccc(n1)F 27a_100015189416_100009815982 [0,1,0,0,0,0|2,0,0]=3 4912 B12R1.28 FCCCNc1cncc(n1)Cl 27a_100015189416_100010892449 [0,1,0,0,0,0|3,0,0]=4 4913 B12R1.28 FCCCNc1cncc(n1)F 27a_100015189416_200009863489 [0,1,0,0,0,0|3,0,0]=4 4914 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [0,1,0,0,0,0|3,0,0]=4 4915 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [0,1,0,0,0,0|3,0,0]=4 4916 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [0,1,0,0,0,0|3,0,0]=4 4917 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [0,1,0,0,0,0|3,0,0]=4 4918 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [0,1,0,0,0,0|3,0,0]=4 4919 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [0,1,0,0,0,0|3,0,0]=4 4920 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [0,1,0,0,0,0|3,0,0]=4 4921 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [0,1,0,0,0,0|3,0,0]=4 4922 B12R1.28 FCCCOc1cccc(n1)F 34a_100011432558_100011934791 [0,1,0,0,0,0|2,0,0]=3 4923 B12R1.28 FCCCSc1cc(ccn1)Cl 62a_100010167805_100011934791 [0,1,0,0,0,0|2,0,0]=3 4924 B12R1.28 FCCCSc1cc(ccn1)Cl 62a_100011934791_100010167805 [0,1,0,0,0,0|2,0,0]=3 4925 B12R1.28 FCCCSc1cc(ccn1)F 62a_100000764206_100011934791 [0,1,0,0,0,0|2,0,0]=3 4926 B12R1.28 FCCCSc1cc(ccn1)F 62a_100011934791_100000764206 [0,1,0,0,0,0|2,0,0]=3 4927 B12R1.28 FCCCSc1cc(ncn1)Cl 62a_100010161198_100011934791 [0,1,0,0,0,0|3,0,0]=4 4928 B12R1.28 FCCCSc1cc(ncn1)Cl 62a_100011934791_100010161198 [0,1,0,0,0,0|3,0,0]=4 4929 B12R1.28 FCCCSc1cc(ncn1)F 62a_100011934791_200009880791 [0,1,0,0,0,0|3,0,0]=4 4930 B12R1.28 FCCCSc1cc(ncn1)F 62a_200009880791_100011934791 [0,1,0,0,0,0|3,0,0]=4 4931 B12R1.28 FCCCSc1cccc(c1)Br 62a_100000691529_100011934791 [0,1,0,0,0,0|3,0,0]=4 4932 B12R1.28 FCCCSc1cccc(c1)Br 62a_100011934791_100000691529 [0,1,0,0,0,0|3,0,0]=4 4933 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100000699651_100011934791 [0,1,0,0,0,0|3,0,0]=4 4934 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100011934791_100000699651 [0,1,0,0,0,0|3,0,0]=4 4935 B12R1.28 FCCCSc1cccc(c1)F 62a_100000685547_100011934791 [0,1,0,0,0,0|3,0,0]=4 4936 B12R1.28 FCCCSc1cccc(c1)F 62a_100011934791_100000685547 [0,1,0,0,0,0|3,0,0]=4 4937 B12R1.28 FCCCSc1cccc(c1)[S] 62a_100011934791_114929384022 [0,1,0,0,0,0|3,0,0]=4 4938 B12R1.28 FCCCSc1cccc(c1)[S] 62a_114929384022_100011934791 [0,1,0,0,0,0|3,0,0]=4 4939 B12R1.28 FCCCSc1cccc(n1)Br 62a_100000684672_100011934791 [0,1,0,0,0,0|2,0,0]=3 4940 B12R1.28 FCCCSc1cccc(n1)Br 62a_100011934791_100000684672 [0,1,0,0,0,0|2,0,0]=3 4941 B12R1.28 FCCCSc1cccc(n1)Cl 62a_100000051397_100011934791 [0,1,0,0,0,0|2,0,0]=3 4942 B12R1.28 FCCCSc1cccc(n1)Cl 62a_100011934791_100000051397 [0,1,0,0,0,0|2,0,0]=3 4943 B12R1.28 FCCCSc1cccc(n1)F 62a_100009815982_100011934791 [0,1,0,0,0,0|2,0,0]=3 4944 B12R1.28 FCCCSc1cccc(n1)F 62a_100011934791_100009815982 [0,1,0,0,0,0|2,0,0]=3 4945 B12R1.28 FCCCSc1ccnc(n1)Cl 62a_100010154678_100011934791 [0,1,0,0,0,0|3,0,0]=4 4946 B12R1.28 FCCCSc1ccnc(n1)Cl 62a_100011934791_100010154678 [0,1,0,0,0,0|3,0,0]=4 4947 B12R1.28 FCCCSc1cncc(n1)Cl 62a_100010892449_100011934791 [0,1,0,0,0,0|3,0,0]=4 4948 B12R1.28 FCCCSc1cncc(n1)Cl 62a_100011934791_100010892449 [0,1,0,0,0,0|3,0,0]=4 4949 B12R1.28 FCCCSc1cncc(n1)F 62a_100011934791_200009863489 [0,1,0,0,0,0|3,0,0]=4 4950 B12R1.28 FCCCSc1cncc(n1)F 62a_200009863489_100011934791 [0,1,0,0,0,0|3,0,0]=4 4951 B12R1.28 FCCNCc1cc(ccn1)Br 34a_100000724931_100010173614 [0,1,0,0,0,0|2,0,0]=3 4952 B12R1.28 FCCNCc1cc(ccn1)Cl 34a_100000724931_100016988179 [0,1,0,0,0,0|2,0,0]=3 4953 B12R1.28 FCCNCc1cccc(c1)Br 2230a_100000174977_100011217306 [0,1,0,0,0,0|3,0,0]=4 4954 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000174977_100011217306 [0,1,0,0,0,0|3,0,0]=4 4955 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000724931_100000698116 [0,1,0,0,0,0|3,0,0]=4 4956 B12R1.28 FCCNCc1cccc(c1)Cl 2230a_100000174878_100011217306 [0,1,0,0,0,0|3,0,0]=4 4957 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000174878_100011217306 [0,1,0,0,0,0|3,0,0]=4 4958 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000724931_100000187163 [0,1,0,0,0,0|3,0,0]=4 4959 B12R1.28 FCCNCc1cccc(c1)F 2230a_100000174948_100011217306 [0,1,0,0,0,0|3,0,0]=4 4960 B12R1.28 FCCNCc1cccc(c1)F 34a_100000174948_100011217306 [0,1,0,0,0,0|3,0,0]=4 4961 B12R1.28 FCCNCc1cccc(c1)F 34a_100000724931_100000187166 [0,1,0,0,0,0|3,0,0]=4 4962 B12R1.28 FCCNCc1cccc(c1)I 2230a_100000106179_100011217306 [0,1,0,0,0,0|3,0,0]=4 4963 B12R1.28 FCCNCc1cccc(c1)I 34a_100000106179_100011217306 [0,1,0,0,0,0|3,0,0]=4 4964 B12R1.28 FCCNCc1cccc(c1)I 34a_100000724931_100011218688 [0,1,0,0,0,0|3,0,0]=4 4965 B12R1.28 FCCNCc1cccc(n1)Br 2230a_100016987751_100011217306 [0,1,0,0,0,0|2,0,0]=3 4966 B12R1.28 FCCNCc1cccc(n1)Br 34a_100000724931_100009889011 [0,1,0,0,0,0|2,0,0]=3 4967 B12R1.28 FCCNCc1cccc(n1)Cl 2230a_100016990191_100011217306 [0,1,0,0,0,0|2,0,0]=3 4968 B12R1.28 FCCNCc1cccc(n1)Cl 34a_100000724931_100000086093 [0,1,0,0,0,0|2,0,0]=3 4969 B12R1.28 FCCNCc1cccc(n1)F 2230a_100015188798_100011217306 [0,1,0,0,0,0|2,0,0]=3 4970 B12R1.28 FCCNCc1cccc(n1)F 34a_100000724931_100009819644 [0,1,0,0,0,0|2,0,0]=3 4971 B12R1.28 FCCNCc1cccc(n1)F 34a_100015188798_100011217306 [0,1,0,0,0,0|2,0,0]=3 4972 B12R1.28 FCCNCc1ccnc(n1)Cl 34a_100000724931_100000099655 [0,1,0,0,0,0|3,0,0]=4 4973 B12R1.28 FCCOCc1cc(ccn1)Cl 34a_100000748867_100011217306 [0,1,0,0,0,0|2,0,0]=3 4974 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [0,1,0,0,0,0|3,0,0]=4 4975 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [0,1,0,0,0,0|3,0,0]=4 4976 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [0,1,0,0,0,0|3,0,0]=4 4977 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [0,1,0,0,0,0|3,0,0]=4 4978 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [0,1,0,0,0,0|3,0,0]=4 4979 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [0,1,0,0,0,0|3,0,0]=4 4980 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [0,1,0,0,0,0|3,0,0]=4 4981 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [0,1,0,0,0,0|3,0,0]=4 4982 B12R1.28 FCCOCc1cccc(n1)Br 34a_100000694195_100011217306 [0,1,0,0,0,0|2,0,0]=3 4983 B12R1.28 FCCOCc1cccc(n1)Cl 34a_100011998359_100011217306 [0,1,0,0,0,0|2,0,0]=3 4984 B12R1.28 FCCOCc1cccc(n1)F 34a_100000086748_100011217306 [0,1,0,0,0,0|2,0,0]=3 4985 B12R1.28 FCCSCc1cc(ccn1)Br 62a_100010173614_100011217306 [0,1,0,0,0,0|2,0,0]=3 4986 B12R1.28 FCCSCc1cc(ccn1)Br 62a_100011217306_100010173614 [0,1,0,0,0,0|2,0,0]=3 4987 B12R1.28 FCCSCc1cc(ccn1)Cl 62a_100011217306_100016988179 [0,1,0,0,0,0|2,0,0]=3 4988 B12R1.28 FCCSCc1cc(ccn1)Cl 62a_100016988179_100011217306 [0,1,0,0,0,0|2,0,0]=3 4989 B12R1.28 FCCSCc1cccc(c1)Br 62a_100000211773_100011217306 [0,1,0,0,0,0|3,0,0]=4 4990 B12R1.28 FCCSCc1cccc(c1)Br 62a_100011217306_100000211773 [0,1,0,0,0,0|3,0,0]=4 4991 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100000187163_100011217306 [0,1,0,0,0,0|3,0,0]=4 4992 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100011217306_100000187163 [0,1,0,0,0,0|3,0,0]=4 4993 B12R1.28 FCCSCc1cccc(c1)F 62a_100000230114_100011217306 [0,1,0,0,0,0|3,0,0]=4 4994 B12R1.28 FCCSCc1cccc(c1)F 62a_100011217306_100000230114 [0,1,0,0,0,0|3,0,0]=4 4995 B12R1.28 FCCSCc1cccc(c1)I 62a_100011217306_100011218688 [0,1,0,0,0,0|3,0,0]=4 4996 B12R1.28 FCCSCc1cccc(c1)I 62a_100011218688_100011217306 [0,1,0,0,0,0|3,0,0]=4 4997 B12R1.28 FCCSCc1cccc(n1)Br 62a_100009889011_100011217306 [0,1,0,0,0,0|2,0,0]=3 4998 B12R1.28 FCCSCc1cccc(n1)Br 62a_100011217306_100009889011 [0,1,0,0,0,0|2,0,0]=3 4999 B12R1.28 FCCSCc1cccc(n1)Cl 62a_100000086093_100011217306 [0,1,0,0,0,0|2,0,0]=3 5000 B12R1.28 FCCSCc1cccc(n1)Cl 62a_100011217306_100000086093 [0,1,0,0,0,0|2,0,0]=3 5001 B12R1.28 FCCSCc1cccc(n1)F 62a_100009819644_100011217306 [0,1,0,0,0,0|2,0,0]=3 5002 B12R1.28 FCCSCc1cccc(n1)F 62a_100011217306_100009819644 [0,1,0,0,0,0|2,0,0]=3 5003 B12R1.28 FCCSCc1ccnc(n1)Cl 62a_100000099655_100011217306 [0,1,0,0,0,0|3,0,0]=4 5004 B12R1.28 FCCSCc1ccnc(n1)Cl 62a_100011217306_100000099655 [0,1,0,0,0,0|3,0,0]=4 5005 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [0,1,0,0,0,0|3,0,0]=4 5006 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [0,1,0,0,0,0|3,0,0]=4 5007 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [0,1,0,0,0,0|3,0,0]=4 5008 B12R1.28 FCOCCc1cccc(c1)Br 34a_100011217444_100015361967 [0,1,0,0,0,0|3,0,0]=4 5009 B12R1.28 FCOCCc1cccc(c1)Br 7a_100011217444_100015361967 [0,1,0,0,0,0|3,0,0]=4 5010 B12R1.28 FCOCCc1cccc(c1)Cl 34a_100000754733_100015361967 [0,1,0,0,0,0|3,0,0]=4 5011 B12R1.28 FCOCCc1cccc(c1)Cl 7a_100000754733_100015361967 [0,1,0,0,0,0|3,0,0]=4 5012 B12R1.28 FCOCCc1cccc(c1)F 34a_100000763591_100015361967 [0,1,0,0,0,0|3,0,0]=4 5013 B12R1.28 FCOCCc1cccc(c1)F 7a_100000763591_100015361967 [0,1,0,0,0,0|3,0,0]=4 5014 B12R1.28 FCOCCc1cccc(n1)Br 34a_100010221043_100015361967 [0,1,0,0,0,0|2,0,0]=3 5015 B12R1.28 FCOCCc1cccc(n1)Br 7a_100010221043_100015361967 [0,1,0,0,0,0|2,0,0]=3 5016 B12R1.28 FCSCCc1cccc(c1)Br 62a_100011740638_100015361967 [0,1,0,0,0,0|3,0,0]=4 5017 B12R1.28 FCSCCc1cccc(c1)Br 62a_100015361967_100011740638 [0,1,0,0,0,0|3,0,0]=4 5018 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100011713710_100015361967 [0,1,0,0,0,0|3,0,0]=4 5019 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100015361967_100011713710 [0,1,0,0,0,0|3,0,0]=4 5020 B12R1.28 FCSCCc1cccc(c1)F 62a_100011217235_100015361967 [0,1,0,0,0,0|3,0,0]=4 5021 B12R1.28 FCSCCc1cccc(c1)F 62a_100015361967_100011217235 [0,1,0,0,0,0|3,0,0]=4 5022 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [0,1,0,0,0,0|3,0,0]=4 5023 B12R1.28 Fc1cccc(n1)COCCBr 34a_100000211926_100009819644 [0,1,0,0,0,0|2,0,0]=3 5024 B12R1.28 N#CCCNc1cc(ccn1)F 27a_100000720768_100000764206 [0,1,0,0,0,0|2,0,1]=4 5025 B12R1.28 N#CCCNc1cccc(n1)F 27a_100000720768_100009815982 [0,1,0,0,0,0|2,0,1]=4 5026 B12R1.28 N#CCCSc1cc(ccn1)Cl 62a_100010167805_100011215226 [0,1,0,0,0,0|2,0,1]=4 5027 B12R1.28 N#CCCSc1cc(ccn1)Cl 62a_100011215226_100010167805 [0,1,0,0,0,0|2,0,1]=4 5028 B12R1.28 N#CCCSc1cc(ccn1)F 62a_100000764206_100011215226 [0,1,0,0,0,0|2,0,1]=4 5029 B12R1.28 N#CCCSc1cc(ccn1)F 62a_100011215226_100000764206 [0,1,0,0,0,0|2,0,1]=4 5030 B12R1.28 N#CCCSc1cc(ccn1)N 62a_100009814236_100011215226 [0,1,0,0,0,0|2,0,1]=4 5031 B12R1.28 N#CCCSc1cc(ccn1)N 62a_100011215226_100009814236 [0,1,0,0,0,0|2,0,1]=4 5032 B12R1.28 N#CCCSc1cc(ccn1)O 62a_100011215226_100000762945 [0,1,0,0,0,0|2,0,1]=4 5033 B12R1.28 N#CCCSc1cccc(n1)Br 62a_100000684672_100011215226 [0,1,0,0,0,0|2,0,1]=4 5034 B12R1.28 N#CCCSc1cccc(n1)Br 62a_100011215226_100000684672 [0,1,0,0,0,0|2,0,1]=4 5035 B12R1.28 N#CCCSc1cccc(n1)Cl 62a_100000051397_100011215226 [0,1,0,0,0,0|2,0,1]=4 5036 B12R1.28 N#CCCSc1cccc(n1)Cl 62a_100011215226_100000051397 [0,1,0,0,0,0|2,0,1]=4 5037 B12R1.28 N#CCCSc1cccc(n1)F 62a_100009815982_100011215226 [0,1,0,0,0,0|2,0,1]=4 5038 B12R1.28 N#CCCSc1cccc(n1)F 62a_100011215226_100009815982 [0,1,0,0,0,0|2,0,1]=4 5039 B12R1.28 N#CCCSc1cccc(n1)N 62a_100000740741_100011215226 [0,1,0,0,0,0|2,0,1]=4 5040 B12R1.28 N#CCCSc1cccc(n1)N 62a_100011215226_100000740741 [0,1,0,0,0,0|2,0,1]=4 5041 B12R1.28 N#CCNCc1cccc(n1)Br 2230a_100016987751_100011215382 [0,1,0,0,0,0|2,0,1]=4 5042 B12R1.28 N#CCNCc1cccc(n1)Cl 2230a_100016990191_100011215382 [0,1,0,0,0,0|2,0,1]=4 5043 B12R1.28 N#CCNCc1cccc(n1)F 2230a_100015188798_100011215382 [0,1,0,0,0,0|2,0,1]=4 5044 B12R1.28 N#CCSCc1cc(ccn1)Br 62a_100010173614_100011215382 [0,1,0,0,0,0|2,0,1]=4 5045 B12R1.28 N#CCSCc1cc(ccn1)Br 62a_100011215382_100010173614 [0,1,0,0,0,0|2,0,1]=4 5046 B12R1.28 N#CCSCc1cc(ccn1)Cl 62a_100011215382_100016988179 [0,1,0,0,0,0|2,0,1]=4 5047 B12R1.28 N#CCSCc1cc(ccn1)Cl 62a_100016988179_100011215382 [0,1,0,0,0,0|2,0,1]=4 5048 B12R1.28 N#CCSCc1cccc(n1)Br 62a_100009889011_100011215382 [0,1,0,0,0,0|2,0,1]=4 5049 B12R1.28 N#CCSCc1cccc(n1)Br 62a_100011215382_100009889011 [0,1,0,0,0,0|2,0,1]=4 5050 B12R1.28 N#CCSCc1cccc(n1)Cl 62a_100000086093_100011215382 [0,1,0,0,0,0|2,0,1]=4 5051 B12R1.28 N#CCSCc1cccc(n1)Cl 62a_100011215382_100000086093 [0,1,0,0,0,0|2,0,1]=4 5052 B12R1.28 N#CCSCc1cccc(n1)F 62a_100009819644_100011215382 [0,1,0,0,0,0|2,0,1]=4 5053 B12R1.28 N#CCSCc1cccc(n1)F 62a_100011215382_100009819644 [0,1,0,0,0,0|2,0,1]=4 5054 B12R1.28 NCCOCc1cc(ccn1)Br 34a_100000210304_100010173614 [0,1,0,0,0,0|2,0,0]=3 5055 B12R1.28 NCCOCc1cc(ccn1)Cl 34a_100000210304_100016988179 [0,1,0,0,0,0|2,0,0]=3 5056 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [0,1,0,0,0,0|3,0,0]=4 5057 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [0,1,0,0,0,0|3,0,0]=4 5058 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [0,1,0,0,0,0|3,0,0]=4 5059 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [0,1,0,0,0,0|3,0,0]=4 5060 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [0,1,0,0,0,0|3,0,0]=4 5061 B12R1.28 NCCOCc1cccc(n1)Br 34a_100000210304_100009889011 [0,1,0,0,0,0|2,0,0]=3 5062 B12R1.28 NCCOCc1cccc(n1)Cl 34a_100000210304_100000086093 [0,1,0,0,0,0|2,0,0]=3 5063 B12R1.28 NCCOCc1cccc(n1)F 34a_100000210304_100009819644 [0,1,0,0,0,0|2,0,0]=3 5064 B12R1.28 NCCOCc1ccnc(n1)Cl 34a_100000210304_100000099655 [0,1,0,0,0,0|3,0,0]=4 5065 B12R1.28 Nc1cc(ncn1)NCCCF 27a_100015189416_100000701291 [0,1,0,0,0,0|3,0,0]=4 5066 B12R1.28 Nc1cc(ncn1)NCCCO 27a_100000182051_100000701291 [0,1,0,0,0,0|3,0,0]=4 5067 B12R1.28 Nc1cc(ncn1)SCCCF 62a_100000701291_100011934791 [0,1,0,0,0,0|3,0,0]=4 5068 B12R1.28 Nc1cc(ncn1)SCCCF 62a_100011934791_100000701291 [0,1,0,0,0,0|3,0,0]=4 5069 B12R1.28 Nc1cc(ncn1)SCCCO 62a_100000701291_100011215043 [0,1,0,0,0,0|3,0,0]=4 5070 B12R1.28 Nc1cc(ncn1)SCCCO 62a_100011215043_100000701291 [0,1,0,0,0,0|3,0,0]=4 5071 B12R1.28 Nc1cccc(c1)CCOCF 34a_100011996697_100015361967 [0,1,0,0,0,0|3,0,0]=4 5072 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [0,1,0,0,0,0|3,0,0]=4 5073 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [0,1,0,0,0,0|3,0,0]=4 5074 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [0,1,0,0,0,0|3,0,0]=4 5075 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [0,1,0,0,0,0|3,0,0]=4 5076 B12R1.28 Nc1cccc(c1)SCCCF 62a_100000210019_100011934791 [0,1,0,0,0,0|3,0,0]=4 5077 B12R1.28 Nc1cccc(c1)SCCCF 62a_100011934791_100000210019 [0,1,0,0,0,0|3,0,0]=4 5078 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [0,1,0,0,0,0|3,0,0]=4 5079 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [0,1,0,0,0,0|3,0,0]=4 5080 B12R1.28 Nc1cccc(n1)SCCCF 62a_100000740741_100011934791 [0,1,0,0,0,0|2,0,0]=3 5081 B12R1.28 Nc1cccc(n1)SCCCF 62a_100011934791_100000740741 [0,1,0,0,0,0|2,0,0]=3 5082 B12R1.28 Nc1cccc(n1)SCCCO 62a_100000740741_100011215043 [0,1,0,0,0,0|2,0,0]=3 5083 B12R1.28 Nc1cccc(n1)SCCCO 62a_100011215043_100000740741 [0,1,0,0,0,0|2,0,0]=3 5084 B12R1.28 Nc1ccnc(c1)COCC=O 34a_100000692640_200009817547 [0,1,0,0,0,0|2,0,1]=4 5085 B12R1.28 Nc1ccnc(c1)COCCF 34a_100000692640_100011217306 [0,1,0,0,0,0|2,0,0]=3 5086 B12R1.28 Nc1ccnc(c1)COCCO 34a_100000692640_100000211926 [0,1,0,0,0,0|2,0,0]=3 5087 B12R1.28 Nc1ccnc(c1)SCCCF 62a_100009814236_100011934791 [0,1,0,0,0,0|2,0,0]=3 5088 B12R1.28 Nc1ccnc(c1)SCCCF 62a_100011934791_100009814236 [0,1,0,0,0,0|2,0,0]=3 5089 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100009814236_100011215043 [0,1,0,0,0,0|2,0,0]=3 5090 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100011215043_100009814236 [0,1,0,0,0,0|2,0,0]=3 5091 B12R1.28 Nc1ccnc(n1)NCCCF 27a_100015189416_100000757536 [0,1,0,0,0,0|3,0,0]=4 5092 B12R1.28 Nc1ccnc(n1)NCCCO 27a_100000182051_100000757536 [0,1,0,0,0,0|3,0,0]=4 5093 B12R1.28 Nc1ccnc(n1)SCCCF 62a_100000757536_100011934791 [0,1,0,0,0,0|3,0,0]=4 5094 B12R1.28 Nc1ccnc(n1)SCCCF 62a_100011934791_100000757536 [0,1,0,0,0,0|3,0,0]=4 5095 B12R1.28 Nc1ccnc(n1)SCCCO 62a_100000757536_100011215043 [0,1,0,0,0,0|3,0,0]=4 5096 B12R1.28 Nc1ccnc(n1)SCCCO 62a_100011215043_100000757536 [0,1,0,0,0,0|3,0,0]=4 5097 B12R1.28 Nc1cncc(n1)SCCCF 62a_100000747728_100011934791 [0,1,0,0,0,0|3,0,0]=4 5098 B12R1.28 Nc1cncc(n1)SCCCF 62a_100011934791_100000747728 [0,1,0,0,0,0|3,0,0]=4 5099 B12R1.28 Nc1cncc(n1)SCCCO 62a_100000747728_100011215043 [0,1,0,0,0,0|3,0,0]=4 5100 B12R1.28 Nc1cncc(n1)SCCCO 62a_100011215043_100000747728 [0,1,0,0,0,0|3,0,0]=4 5101 B12R1.28 Nc1cnnc(c1)SCCCF 62a_100011934791_100011996757 [0,1,0,0,0,0|3,0,0]=4 5102 B12R1.28 Nc1cnnc(c1)SCCCF 62a_100011996757_100011934791 [0,1,0,0,0,0|3,0,0]=4 5103 B12R1.28 Nc1cnnc(c1)SCCCO 62a_100011215043_100011996757 [0,1,0,0,0,0|3,0,0]=4 5104 B12R1.28 Nc1cnnc(c1)SCCCO 62a_100011996757_100011215043 [0,1,0,0,0,0|3,0,0]=4 5105 B12R1.28 Nc1nccc(n1)NCCCF 27a_100015189416_100000055538 [0,1,0,0,0,0|3,0,0]=4 5106 B12R1.28 Nc1nccc(n1)NCCCO 27a_100000182051_100000055538 [0,1,0,0,0,0|3,0,0]=4 5107 B12R1.28 Nc1nccc(n1)SCCCF 62a_100000055538_100011934791 [0,1,0,0,0,0|3,0,0]=4 5108 B12R1.28 Nc1nccc(n1)SCCCF 62a_100011934791_100000055538 [0,1,0,0,0,0|3,0,0]=4 5109 B12R1.28 Nc1nccc(n1)SCCCO 62a_100000055538_100011215043 [0,1,0,0,0,0|3,0,0]=4 5110 B12R1.28 Nc1nccc(n1)SCCCO 62a_100011215043_100000055538 [0,1,0,0,0,0|3,0,0]=4 5111 B12R1.28 O=CCNCc1cccc(n1)Br 2230a_100016987751_200015260668 [0,1,0,0,0,0|2,0,1]=4 5112 B12R1.28 O=CCNCc1cccc(n1)Cl 2230a_100016990191_200015260668 [0,1,0,0,0,0|2,0,1]=4 5113 B12R1.28 O=CCNCc1cccc(n1)F 2230a_100015188798_200015260668 [0,1,0,0,0,0|2,0,1]=4 5114 B12R1.28 O=CCNCc1cccc(n1)F 34a_100015188798_200009817547 [0,1,0,0,0,0|2,0,1]=4 5115 B12R1.28 O=CCOCc1cc(ccn1)Cl 34a_100000748867_200009817547 [0,1,0,0,0,0|2,0,1]=4 5116 B12R1.28 O=CCOCc1cccc(n1)Br 34a_100000694195_200009817547 [0,1,0,0,0,0|2,0,1]=4 5117 B12R1.28 O=CCOCc1cccc(n1)Cl 34a_100011998359_200009817547 [0,1,0,0,0,0|2,0,1]=4 5118 B12R1.28 O=CCOCc1cccc(n1)F 34a_100000086748_200009817547 [0,1,0,0,0,0|2,0,1]=4 5119 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_100010173614_200015260668 [0,1,0,0,0,0|2,0,1]=4 5120 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_200015260668_100010173614 [0,1,0,0,0,0|2,0,1]=4 5121 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_100016988179_200015260668 [0,1,0,0,0,0|2,0,1]=4 5122 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_200015260668_100016988179 [0,1,0,0,0,0|2,0,1]=4 5123 B12R1.28 O=CCSCc1cccc(n1)Br 62a_100009889011_200015260668 [0,1,0,0,0,0|2,0,1]=4 5124 B12R1.28 O=CCSCc1cccc(n1)Br 62a_200015260668_100009889011 [0,1,0,0,0,0|2,0,1]=4 5125 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_100000086093_200015260668 [0,1,0,0,0,0|2,0,1]=4 5126 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_200015260668_100000086093 [0,1,0,0,0,0|2,0,1]=4 5127 B12R1.28 O=CCSCc1cccc(n1)F 62a_100009819644_200015260668 [0,1,0,0,0,0|2,0,1]=4 5128 B12R1.28 O=CCSCc1cccc(n1)F 62a_200015260668_100009819644 [0,1,0,0,0,0|2,0,1]=4 5129 B12R1.28 O=c1cc(nc[nH]1)SCCCF 62a_100012002517_100011934791 [0,1,0,0,0,0|3,0,0]=4 5130 B12R1.28 O=c1cc(nc[nH]1)SCCCO 62a_100012002517_100011215043 [0,1,0,0,0,0|3,0,0]=4 5131 B12R1.28 O=c1cc[nH]c(c1)SCCCF 62a_100009817434_100011934791 [0,1,0,0,0,0|2,0,1]=4 5132 B12R1.28 O=c1cc[nH]c(c1)SCCCO 62a_100009817434_100011215043 [0,1,0,0,0,0|2,0,1]=4 5133 B12R1.28 O=c1cccc([nH]1)CNCCF 2230a_100000696482_100011217306 [0,1,0,0,0,0|2,0,1]=4 5134 B12R1.28 O=c1cccc([nH]1)CNCCO 207a_100000210304_100011935257 [0,1,0,0,0,0|2,0,1]=4 5135 B12R1.28 O=c1cccc([nH]1)CNCCO 2230a_100000696482_100000211926 [0,1,0,0,0,0|2,0,1]=4 5136 B12R1.28 O=c1cccc([nH]1)OCCCF 34a_100000033347_100011934791 [0,1,0,0,0,0|2,0,1]=4 5137 B12R1.28 O=c1cccc([nH]1)OCCCO 34a_100000033347_100000230001 [0,1,0,0,0,0|2,0,1]=4 5138 B12R1.28 O=c1cccc([nH]1)SCCCF 62a_100011934791_100000752884 [0,1,0,0,0,0|2,0,1]=4 5139 B12R1.28 O=c1cccc([nH]1)SCCCO 62a_100011215043_100000752884 [0,1,0,0,0,0|2,0,1]=4 5140 B12R1.28 O=c1nc(cc[nH]1)NCCCF 27a_100015189416_200000134032 [0,1,0,0,0,0|3,0,0]=4 5141 B12R1.28 O=c1nc(cc[nH]1)NCCCO 27a_100000182051_200000134032 [0,1,0,0,0,0|3,0,0]=4 5142 B12R1.28 O=c1nc(cc[nH]1)SCCCF 62a_100011934791_200000134032 [0,1,0,0,0,0|3,0,0]=4 5143 B12R1.28 O=c1nc(cc[nH]1)SCCCO 62a_100011215043_200000134032 [0,1,0,0,0,0|3,0,0]=4 5144 B12R1.28 OCCCNc1cc(ccn1)F 27a_100000182051_100000764206 [0,1,0,0,0,0|2,0,0]=3 5145 B12R1.28 OCCCNc1cc(ncn1)F 27a_100000182051_200009880791 [0,1,0,0,0,0|3,0,0]=4 5146 B12R1.28 OCCCNc1cc(ncn1)O 27a_100000182051_100000765262 [0,1,0,0,0,0|3,0,0]=4 5147 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [0,1,0,0,0,0|3,0,0]=4 5148 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [0,1,0,0,0,0|3,0,0]=4 5149 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [0,1,0,0,0,0|3,0,0]=4 5150 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [0,1,0,0,0,0|3,0,0]=4 5151 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [0,1,0,0,0,0|3,0,0]=4 5152 B12R1.28 OCCCNc1cccc(n1)F 27a_100000182051_100009815982 [0,1,0,0,0,0|2,0,0]=3 5153 B12R1.28 OCCCNc1cncc(n1)Cl 27a_100000182051_100010892449 [0,1,0,0,0,0|3,0,0]=4 5154 B12R1.28 OCCCNc1cncc(n1)F 27a_100000182051_200009863489 [0,1,0,0,0,0|3,0,0]=4 5155 B12R1.28 OCCCNc1nccc(n1)O 27a_100000182051_100011649813 [0,1,0,0,0,0|3,0,0]=4 5156 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [0,1,0,0,0,0|3,0,0]=4 5157 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [0,1,0,0,0,0|3,0,0]=4 5158 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,1,0,0,0,0|3,0,0]=4 5159 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,1,0,0,0,0|3,0,0]=4 5160 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [0,1,0,0,0,0|3,0,0]=4 5161 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [0,1,0,0,0,0|3,0,0]=4 5162 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [0,1,0,0,0,0|3,0,0]=4 5163 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [0,1,0,0,0,0|3,0,0]=4 5164 B12R1.28 OCCCOc1cccc(n1)F 34a_100011432558_100000230001 [0,1,0,0,0,0|2,0,0]=3 5165 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100010167805_100011215043 [0,1,0,0,0,0|2,0,0]=3 5166 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100011215043_100010167805 [0,1,0,0,0,0|2,0,0]=3 5167 B12R1.28 OCCCSc1cc(ccn1)F 62a_100000764206_100011215043 [0,1,0,0,0,0|2,0,0]=3 5168 B12R1.28 OCCCSc1cc(ccn1)F 62a_100011215043_100000764206 [0,1,0,0,0,0|2,0,0]=3 5169 B12R1.28 OCCCSc1cc(ccn1)O 62a_100011215043_100000762945 [0,1,0,0,0,0|2,0,0]=3 5170 B12R1.28 OCCCSc1cc(cnn1)O 62a_100011215043_200010734679 [0,1,0,0,0,0|3,0,0]=4 5171 B12R1.28 OCCCSc1cc(ncn1)Cl 62a_100010161198_100011215043 [0,1,0,0,0,0|3,0,0]=4 5172 B12R1.28 OCCCSc1cc(ncn1)Cl 62a_100011215043_100010161198 [0,1,0,0,0,0|3,0,0]=4 5173 B12R1.28 OCCCSc1cc(ncn1)F 62a_100011215043_200009880791 [0,1,0,0,0,0|3,0,0]=4 5174 B12R1.28 OCCCSc1cc(ncn1)F 62a_200009880791_100011215043 [0,1,0,0,0,0|3,0,0]=4 5175 B12R1.28 OCCCSc1cc(ncn1)O 62a_100011215043_100000765262 [0,1,0,0,0,0|3,0,0]=4 5176 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [0,1,0,0,0,0|3,0,0]=4 5177 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [0,1,0,0,0,0|3,0,0]=4 5178 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [0,1,0,0,0,0|3,0,0]=4 5179 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [0,1,0,0,0,0|3,0,0]=4 5180 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [0,1,0,0,0,0|3,0,0]=4 5181 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [0,1,0,0,0,0|3,0,0]=4 5182 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [0,1,0,0,0,0|3,0,0]=4 5183 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [0,1,0,0,0,0|3,0,0]=4 5184 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [0,1,0,0,0,0|3,0,0]=4 5185 B12R1.28 OCCCSc1cccc(n1)Br 62a_100000684672_100011215043 [0,1,0,0,0,0|2,0,0]=3 5186 B12R1.28 OCCCSc1cccc(n1)Br 62a_100011215043_100000684672 [0,1,0,0,0,0|2,0,0]=3 5187 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100000051397_100011215043 [0,1,0,0,0,0|2,0,0]=3 5188 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100011215043_100000051397 [0,1,0,0,0,0|2,0,0]=3 5189 B12R1.28 OCCCSc1cccc(n1)F 62a_100009815982_100011215043 [0,1,0,0,0,0|2,0,0]=3 5190 B12R1.28 OCCCSc1cccc(n1)F 62a_100011215043_100009815982 [0,1,0,0,0,0|2,0,0]=3 5191 B12R1.28 OCCCSc1ccnc(n1)Cl 62a_100010154678_100011215043 [0,1,0,0,0,0|3,0,0]=4 5192 B12R1.28 OCCCSc1ccnc(n1)Cl 62a_100011215043_100010154678 [0,1,0,0,0,0|3,0,0]=4 5193 B12R1.28 OCCCSc1cncc(n1)Cl 62a_100010892449_100011215043 [0,1,0,0,0,0|3,0,0]=4 5194 B12R1.28 OCCCSc1cncc(n1)Cl 62a_100011215043_100010892449 [0,1,0,0,0,0|3,0,0]=4 5195 B12R1.28 OCCCSc1cncc(n1)F 62a_100011215043_200009863489 [0,1,0,0,0,0|3,0,0]=4 5196 B12R1.28 OCCCSc1cncc(n1)F 62a_200009863489_100011215043 [0,1,0,0,0,0|3,0,0]=4 5197 B12R1.28 OCCCSc1cncc(n1)O 62a_100011215043_100011269956 [0,1,0,0,0,0|3,0,0]=4 5198 B12R1.28 OCCCSc1nccc(n1)O 62a_100011215043_100011649813 [0,1,0,0,0,0|3,0,0]=4 5199 B12R1.28 OCCNCc1cc(ccn1)Br 2230a_100016997473_100010173614 [0,1,0,0,0,0|2,0,0]=3 5200 B12R1.28 OCCNCc1cc(ccn1)Br 270004a_100000210304_100009818557 [0,1,0,0,0,0|2,0,0]=3 5201 B12R1.28 OCCNCc1cc(ccn1)Br 34a_100016990907_100010173614 [0,1,0,0,0,0|2,0,0]=3 5202 B12R1.28 OCCNCc1cc(ccn1)Cl 2230a_100016997473_100016988179 [0,1,0,0,0,0|2,0,0]=3 5203 B12R1.28 OCCNCc1cc(ccn1)Cl 270004a_100000210304_100011998288 [0,1,0,0,0,0|2,0,0]=3 5204 B12R1.28 OCCNCc1cc(ccn1)Cl 34a_100016990907_100016988179 [0,1,0,0,0,0|2,0,0]=3 5205 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [0,1,0,0,0,0|3,0,0]=4 5206 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [0,1,0,0,0,0|3,0,0]=4 5207 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [0,1,0,0,0,0|3,0,0]=4 5208 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [0,1,0,0,0,0|3,0,0]=4 5209 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [0,1,0,0,0,0|3,0,0]=4 5210 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [0,1,0,0,0,0|3,0,0]=4 5211 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [0,1,0,0,0,0|3,0,0]=4 5212 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [0,1,0,0,0,0|3,0,0]=4 5213 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [0,1,0,0,0,0|3,0,0]=4 5214 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [0,1,0,0,0,0|3,0,0]=4 5215 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [0,1,0,0,0,0|3,0,0]=4 5216 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [0,1,0,0,0,0|3,0,0]=4 5217 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [0,1,0,0,0,0|3,0,0]=4 5218 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [0,1,0,0,0,0|3,0,0]=4 5219 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [0,1,0,0,0,0|3,0,0]=4 5220 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [0,1,0,0,0,0|3,0,0]=4 5221 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [0,1,0,0,0,0|3,0,0]=4 5222 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [0,1,0,0,0,0|3,0,0]=4 5223 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [0,1,0,0,0,0|3,0,0]=4 5224 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [0,1,0,0,0,0|3,0,0]=4 5225 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [0,1,0,0,0,0|3,0,0]=4 5226 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [0,1,0,0,0,0|3,0,0]=4 5227 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [0,1,0,0,0,0|3,0,0]=4 5228 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [0,1,0,0,0,0|3,0,0]=4 5229 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [0,1,0,0,0,0|3,0,0]=4 5230 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [0,1,0,0,0,0|3,0,0]=4 5231 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [0,1,0,0,0,0|3,0,0]=4 5232 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [0,1,0,0,0,0|3,0,0]=4 5233 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [0,1,0,0,0,0|3,0,0]=4 5234 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [0,1,0,0,0,0|3,0,0]=4 5235 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016987751_100000211926 [0,1,0,0,0,0|2,0,0]=3 5236 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016997473_100009889011 [0,1,0,0,0,0|2,0,0]=3 5237 B12R1.28 OCCNCc1cccc(n1)Br 270004a_100000210304_100000688028 [0,1,0,0,0,0|2,0,0]=3 5238 B12R1.28 OCCNCc1cccc(n1)Br 34a_100016990907_100009889011 [0,1,0,0,0,0|2,0,0]=3 5239 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016990191_100000211926 [0,1,0,0,0,0|2,0,0]=3 5240 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016997473_100000086093 [0,1,0,0,0,0|2,0,0]=3 5241 B12R1.28 OCCNCc1cccc(n1)Cl 270004a_100000210304_100011361687 [0,1,0,0,0,0|2,0,0]=3 5242 B12R1.28 OCCNCc1cccc(n1)Cl 34a_100016990907_100000086093 [0,1,0,0,0,0|2,0,0]=3 5243 B12R1.28 OCCNCc1cccc(n1)F 2230a_100015188798_100000211926 [0,1,0,0,0,0|2,0,0]=3 5244 B12R1.28 OCCNCc1cccc(n1)F 2230a_100016997473_100009819644 [0,1,0,0,0,0|2,0,0]=3 5245 B12R1.28 OCCNCc1cccc(n1)F 270004a_100000210304_100000050434 [0,1,0,0,0,0|2,0,0]=3 5246 B12R1.28 OCCNCc1cccc(n1)F 34a_100015188798_100000211926 [0,1,0,0,0,0|2,0,0]=3 5247 B12R1.28 OCCNCc1cccc(n1)F 34a_100016990907_100009819644 [0,1,0,0,0,0|2,0,0]=3 5248 B12R1.28 OCCNCc1ccnc(n1)Cl 2230a_100016997473_100000099655 [0,1,0,0,0,0|3,0,0]=4 5249 B12R1.28 OCCNCc1ccnc(n1)Cl 34a_100016990907_100000099655 [0,1,0,0,0,0|3,0,0]=4 5250 B12R1.28 OCCOCc1cc(ccn1)Cl 34a_100000748867_100000211926 [0,1,0,0,0,0|2,0,0]=3 5251 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [0,1,0,0,0,0|3,0,0]=4 5252 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [0,1,0,0,0,0|3,0,0]=4 5253 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,1,0,0,0,0|3,0,0]=4 5254 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,1,0,0,0,0|3,0,0]=4 5255 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [0,1,0,0,0,0|3,0,0]=4 5256 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [0,1,0,0,0,0|3,0,0]=4 5257 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [0,1,0,0,0,0|3,0,0]=4 5258 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [0,1,0,0,0,0|3,0,0]=4 5259 B12R1.28 OCCOCc1cccc(n1)Br 34a_100000694195_100000211926 [0,1,0,0,0,0|2,0,0]=3 5260 B12R1.28 OCCOCc1cccc(n1)Cl 34a_100011998359_100000211926 [0,1,0,0,0,0|2,0,0]=3 5261 B12R1.28 OCCOCc1cccc(n1)F 34a_100000086748_100000211926 [0,1,0,0,0,0|2,0,0]=3 5262 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100000211926_100010173614 [0,1,0,0,0,0|2,0,0]=3 5263 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100010173614_100000211926 [0,1,0,0,0,0|2,0,0]=3 5264 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100000211926_100016988179 [0,1,0,0,0,0|2,0,0]=3 5265 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100016988179_100000211926 [0,1,0,0,0,0|2,0,0]=3 5266 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211773_100000211926 [0,1,0,0,0,0|3,0,0]=4 5267 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211926_100000211773 [0,1,0,0,0,0|3,0,0]=4 5268 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000187163_100000211926 [0,1,0,0,0,0|3,0,0]=4 5269 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000211926_100000187163 [0,1,0,0,0,0|3,0,0]=4 5270 B12R1.28 OCCSCc1cccc(c1)F 62a_100000211926_100000230114 [0,1,0,0,0,0|3,0,0]=4 5271 B12R1.28 OCCSCc1cccc(c1)F 62a_100000230114_100000211926 [0,1,0,0,0,0|3,0,0]=4 5272 B12R1.28 OCCSCc1cccc(c1)I 62a_100000211926_100011218688 [0,1,0,0,0,0|3,0,0]=4 5273 B12R1.28 OCCSCc1cccc(c1)I 62a_100011218688_100000211926 [0,1,0,0,0,0|3,0,0]=4 5274 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [0,1,0,0,0,0|3,0,0]=4 5275 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [0,1,0,0,0,0|3,0,0]=4 5276 B12R1.28 OCCSCc1cccc(n1)Br 62a_100000211926_100009889011 [0,1,0,0,0,0|2,0,0]=3 5277 B12R1.28 OCCSCc1cccc(n1)Br 62a_100009889011_100000211926 [0,1,0,0,0,0|2,0,0]=3 5278 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000086093_100000211926 [0,1,0,0,0,0|2,0,0]=3 5279 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000211926_100000086093 [0,1,0,0,0,0|2,0,0]=3 5280 B12R1.28 OCCSCc1cccc(n1)F 62a_100000211926_100009819644 [0,1,0,0,0,0|2,0,0]=3 5281 B12R1.28 OCCSCc1cccc(n1)F 62a_100009819644_100000211926 [0,1,0,0,0,0|2,0,0]=3 5282 B12R1.28 OCCSCc1ccnc(n1)Cl 62a_100000099655_100000211926 [0,1,0,0,0,0|3,0,0]=4 5283 B12R1.28 OCCSCc1ccnc(n1)Cl 62a_100000211926_100000099655 [0,1,0,0,0,0|3,0,0]=4 5284 B12R1.28 Oc1cc(ncn1)NCCCF 27a_100015189416_100000765262 [0,1,0,0,0,0|3,0,0]=4 5285 B12R1.28 Oc1cc(ncn1)SCCCF 62a_100011934791_100000765262 [0,1,0,0,0,0|3,0,0]=4 5286 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [0,1,0,0,0,0|3,0,0]=4 5287 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [0,1,0,0,0,0|3,0,0]=4 5288 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [0,1,0,0,0,0|3,0,0]=4 5289 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [0,1,0,0,0,0|3,0,0]=4 5290 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [0,1,0,0,0,0|3,0,0]=4 5291 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011217306_100011660834 [0,1,0,0,0,0|3,0,0]=4 5292 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011660834_100011217306 [0,1,0,0,0,0|3,0,0]=4 5293 B12R1.28 Oc1cccc(c1)NCCCF 34a_100000210217_100011934791 [0,1,0,0,0,0|3,0,0]=4 5294 B12R1.28 Oc1cccc(c1)SCCCF 62a_100011934791_100000211634 [0,1,0,0,0,0|3,0,0]=4 5295 B12R1.28 Oc1ccnc(c1)SCCCF 62a_100011934791_100000762945 [0,1,0,0,0,0|2,0,0]=3 5296 B12R1.28 Oc1ccnc(n1)NCCCF 27a_100015189416_100011649813 [0,1,0,0,0,0|3,0,0]=4 5297 B12R1.28 Oc1ccnc(n1)SCCCF 62a_100011934791_100011649813 [0,1,0,0,0,0|3,0,0]=4 5298 B12R1.28 Oc1cncc(n1)SCCCF 62a_100011934791_100011269956 [0,1,0,0,0,0|3,0,0]=4 5299 B12R1.28 Oc1cnnc(c1)SCCCF 62a_100011934791_200010734679 [0,1,0,0,0,0|3,0,0]=4 5300 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [0,1,0,0,0,0|2,0,0]=3 5301 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [0,1,0,0,0,0|2,0,0]=3 5302 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [0,1,0,0,0,0|2,0,0]=3 5303 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [0,1,0,0,0,0|2,0,0]=3 5304 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [0,1,0,0,0,0|2,0,0]=3 5305 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [0,1,0,0,0,0|2,0,0]=3 5306 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [0,1,0,0,0,0|3,0,0]=4 5307 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [0,1,0,0,0,0|3,0,0]=4 5308 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [0,1,0,0,0,0|3,0,0]=4 5309 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [0,1,0,0,0,0|3,0,0]=4 5310 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [0,1,0,0,0,0|3,0,0]=4 5311 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [0,1,0,0,0,0|3,0,0]=4 5312 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,1,0,0,0,0|2,0,0]=3 5313 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,1,0,0,0,0|2,0,0]=3 5314 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,1,0,0,0,0|2,0,0]=3 5315 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,1,0,0,0,0|2,0,0]=3 5316 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,1,0,0,0,0|2,0,0]=3 5317 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,1,0,0,0,0|2,0,0]=3 5318 B12R1.28 [13CH3]OCCNc1cccc(n1)F 34a_200011432718_200025704644 [0,1,0,0,0,0|2,0,0]=3 5319 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [0,1,0,0,0,0|3,0,0]=4 5320 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [0,1,0,0,0,0|3,0,0]=4 5321 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,1,0,0,0,0|3,0,0]=4 5322 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,1,0,0,0,0|3,0,0]=4 5323 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [0,1,0,0,0,0|3,0,0]=4 5324 B12R1.28 [13CH3]OCCSc1cccc(c1)Br 7a_200011756134_200025704644 [0,1,0,0,0,0|3,0,0]=4 5325 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 34a_200011721761_200025704644 [0,1,0,0,0,0|3,0,0]=4 5326 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 7a_200011721761_200025704644 [0,1,0,0,0,0|3,0,0]=4 5327 B12R1.28 [13CH3]OCCSc1cccc(c1)F 34a_200011996949_200025704644 [0,1,0,0,0,0|3,0,0]=4 5328 B12R1.28 [13CH3]OCCSc1cccc(c1)F 7a_200011996949_200025704644 [0,1,0,0,0,0|3,0,0]=4 5329 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [0,1,0,0,0,0|2,0,0]=3 5330 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [0,1,0,0,0,0|2,0,0]=3 5331 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [0,1,0,0,0,0|2,0,0]=3 5332 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [0,1,0,0,0,0|2,0,0]=3 5333 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [0,1,0,0,0,0|3,0,0]=4 5334 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [0,1,0,0,0,0|3,0,0]=4 5335 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [0,1,0,0,0,0|3,0,0]=4 5336 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [0,1,0,0,0,0|3,0,0]=4 5337 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [0,1,0,0,0,0|3,0,0]=4 5338 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [0,1,0,0,0,0|3,0,0]=4 5339 B12R1.28 [O-][n+]1ccnc(c1)NCCCF 27a_100015189416_100009880115 [0,1,0,0,0,0|3,0,0]=4 5340 B12R1.28 [O-][n+]1ccnc(c1)NCCCO 27a_100000182051_100009880115 [0,1,0,0,0,0|3,0,0]=4 5341 B12R1.28 [O-][n+]1ccnc(c1)SCCCF 62a_100011934791_100009880115 [0,1,0,0,0,0|3,0,0]=4 5342 B12R1.28 [O-][n+]1ccnc(c1)SCCCO 62a_100011215043_100009880115 [0,1,0,0,0,0|3,0,0]=4 5343 B12R1.30 C#CCNC(C)c1ccccn1 2230a_100000181244_100000038162 [0,1,0,0,0,0|1,0,2]=4 5344 B12R1.30 C=CCNC(C)c1ccccn1 2230a_100000181244_100000210623 [0,1,0,0,0,0|1,0,2]=4 5345 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,1,0,0,0,0|3,0,0]=4 5346 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,1,0,0,0,0|3,0,0]=4 5347 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,1,0,0,0,0|3,0,0]=4 5348 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,1,0,0,0,0|3,0,0]=4 5349 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,1,0,0,0,0|3,0,0]=4 5350 B12R1.30 CC(NCC#N)c1ccccn1 2230a_100000181244_100011215382 [0,1,0,0,0,0|2,0,1]=4 5351 B12R1.30 CC(NCC=O)c1ccccn1 2230a_100000181244_200015260668 [0,1,0,0,0,0|2,0,1]=4 5352 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,1,0,0,0,0|3,0,0]=4 5353 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,1,0,0,0,0|3,0,0]=4 5354 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [0,1,0,0,0,0|2,0,0]=3 5355 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [0,1,0,0,0,0|2,0,0]=3 5356 B12R1.30 CC(NCCF)c1cccnn1 269862a_100000724931_100009866853 [0,1,0,0,0,0|3,0,0]=4 5357 B12R1.30 CC(NCCF)c1cnccn1 269862a_100000724931_100000751083 [0,1,0,0,0,0|3,0,0]=4 5358 B12R1.30 CC(NCCF)c1ncccn1 2230a_100020641698_100011217306 [0,1,0,0,0,0|3,0,0]=4 5359 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,1,0,0,0,0|3,0,0]=4 5360 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,1,0,0,0,0|3,0,0]=4 5361 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,1,0,0,0,0|3,0,0]=4 5362 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,1,0,0,0,0|2,0,0]=3 5363 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,1,0,0,0,0|2,0,0]=3 5364 B12R1.30 CC(NCCO)c1cccnn1 269862a_100000210304_100009866853 [0,1,0,0,0,0|3,0,0]=4 5365 B12R1.30 CC(NCCO)c1cnccn1 2230a_100016997473_200000703233 [0,1,0,0,0,0|3,0,0]=4 5366 B12R1.30 CC(NCCO)c1cnccn1 269862a_100000210304_100000751083 [0,1,0,0,0,0|3,0,0]=4 5367 B12R1.30 CC(NCCO)c1ncccn1 2230a_100020641698_100000211926 [0,1,0,0,0,0|3,0,0]=4 5368 B12R1.30 CC(NCCO)c1ncccn1 270004a_100000210304_100011350828 [0,1,0,0,0,0|3,0,0]=4 5369 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,1,0,0,0,0|3,0,0]=4 5370 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,1,0,0,0,0|3,0,0]=4 5371 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,1,0,0,0,0|3,0,0]=4 5372 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,1,0,0,0,0|3,0,0]=4 5373 B12R1.30 CC(SCCF)c1cnccn1 62a_100011217306_200000703233 [0,1,0,0,0,0|3,0,0]=4 5374 B12R1.30 CC(SCCF)c1cnccn1 62a_200000703233_100011217306 [0,1,0,0,0,0|3,0,0]=4 5375 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,1,0,0,0,0|3,0,0]=4 5376 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,1,0,0,0,0|3,0,0]=4 5377 B12R1.30 CC(SCCO)c1cnccn1 62a_100000211926_200000703233 [0,1,0,0,0,0|3,0,0]=4 5378 B12R1.30 CC(SCCO)c1cnccn1 62a_200000703233_100000211926 [0,1,0,0,0,0|3,0,0]=4 5379 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,1,0,0,0,0|1,0,1]=3 5380 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,1,0,0,0,0|2,0,0]=3 5381 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 5382 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,1,0,0,0,0|2,0,0]=3 5383 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 5384 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,1,0,0,0,0|2,0,0]=3 5385 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 5386 B12R1.30 CCCCN(C)c1cccnn1 27a_100000207549_100016991348 [0,1,0,0,0,0|2,0,0]=3 5387 B12R1.30 CCCCN(C)c1ccncn1 27a_100000207549_100000703185 [0,1,0,0,0,0|2,0,0]=3 5388 B12R1.30 CCCCN(C)c1cnccn1 27a_100000207549_100000211759 [0,1,0,0,0,0|2,0,0]=3 5389 B12R1.30 CCCCN(C)c1ncccn1 27a_100000207549_100000211032 [0,1,0,0,0,0|2,0,0]=3 5390 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 5391 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 5392 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 5393 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 5394 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 5395 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 5396 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 5397 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,1,0,0,0,0|2,0,0]=3 5398 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,1,0,0,0,0|1,0,0]=2 5399 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,1,0,0,0,0|1,0,0]=2 5400 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,1,0,0,0,0|3,0,0]=4 5401 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,1,0,0,0,0|3,0,0]=4 5402 B12R1.30 CCCNC(C)c1cccnn1 269862a_100020643023_100009866853 [0,1,0,0,0,0|2,0,0]=3 5403 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,1,0,0,0,0|3,0,0]=4 5404 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,1,0,0,0,0|3,0,0]=4 5405 B12R1.30 CCCNC(C)c1cnccn1 269862a_100020643023_100000751083 [0,1,0,0,0,0|2,0,0]=3 5406 B12R1.30 CCCNC(C)c1ncccn1 2230a_100020641698_100000210303 [0,1,0,0,0,0|2,0,0]=3 5407 B12R1.30 CCCNC(C)c1ncccn1 270004a_100020643023_100011350828 [0,1,0,0,0,0|2,0,0]=3 5408 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,1,0,0,0,0|2,0,0]=3 5409 B12R1.30 CCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210303 [0,1,0,0,0,0|2,0,0]=3 5410 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,1,0,0,0,0|2,0,0]=3 5411 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,1,0,0,0,0|2,0,0]=3 5412 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,1,0,0,0,0|2,0,0]=3 5413 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,1,0,0,0,0|2,0,0]=3 5414 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,1,0,0,0,0|2,0,0]=3 5415 B12R1.30 CCCSC(C)c1cnccn1 62a_100000210303_200000703233 [0,1,0,0,0,0|2,0,0]=3 5416 B12R1.30 CCCSC(C)c1cnccn1 62a_200000703233_100000210303 [0,1,0,0,0,0|2,0,0]=3 5417 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,1,0,0,0,0|2,0,0]=3 5418 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,1,0,0,0,0|2,0,0]=3 5419 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,1,0,0,0,0|2,0,0]=3 5420 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,1,0,0,0,0|2,0,0]=3 5421 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,1,0,0,0,0|2,0,0]=3 5422 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,1,0,0,0,0|2,0,0]=3 5423 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,1,0,0,0,0|1,0,0]=2 5424 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,1,0,0,0,0|3,0,0]=4 5425 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,1,0,0,0,0|2,0,0]=3 5426 B12R1.30 CCNN=C(C)c1ccccn1 4a_100000756455_100000210467 [0,1,0,0,0,0|2,0,1]=4 5427 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,1,0,0,0,0|1,0,1]=3 5428 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,1,0,0,0,0|2,0,0]=3 5429 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,1,0,0,0,0|2,0,0]=3 5430 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,1,0,0,0,0|2,0,0]=3 5431 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,1,0,0,0,0|2,0,0]=3 5432 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,1,0,0,0,0|3,0,0]=4 5433 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|2,0,0]=3 5434 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,1,0,0,0,0|3,0,0]=4 5435 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,1,0,0,0,0|2,0,0]=3 5436 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,1,0,0,0,0|2,0,1]=4 5437 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,1,0,0,0,0|2,0,1]=4 5438 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [0,1,0,0,0,0|1,0,1]=3 5439 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [0,1,0,0,0,0|1,0,1]=3 5440 B12R1.30 CCSCC(=O)c1ncccn1 62a_100000210202_100020636365 [0,1,0,0,0,0|2,0,1]=4 5441 B12R1.30 CCSCC(=O)c1ncccn1 62a_100020636365_100000210202 [0,1,0,0,0,0|2,0,1]=4 5442 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,1,0,0,0,0|2,0,0]=3 5443 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,1,0,0,0,0|2,0,0]=3 5444 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,1,0,0,0,0|2,0,0]=3 5445 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,1,0,0,0,0|2,0,0]=3 5446 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,1,0,0,0,0|3,0,0]=4 5447 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,1,0,0,0,0|2,0,0]=3 5448 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,1,0,0,0,0|2,0,0]=3 5449 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,1,0,0,0,0|3,0,0]=4 5450 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,1,0,0,0,0|3,0,0]=4 5451 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,1,0,0,0,0|3,0,0]=4 5452 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,1,0,0,0,0|3,0,0]=4 5453 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 5454 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,1,0,0,0,0|3,0,0]=4 5455 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 5456 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,1,0,0,0,0|3,0,0]=4 5457 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 5458 B12R1.30 CN(CCCO)c1cccnn1 27a_100000213112_100016991348 [0,1,0,0,0,0|3,0,0]=4 5459 B12R1.30 CN(CCCO)c1ccncn1 27a_100000213112_100000703185 [0,1,0,0,0,0|3,0,0]=4 5460 B12R1.30 CN(CCCO)c1cnccn1 27a_100000213112_100000211759 [0,1,0,0,0,0|3,0,0]=4 5461 B12R1.30 CN(CCCO)c1ncccn1 27a_100000213112_100000211032 [0,1,0,0,0,0|3,0,0]=4 5462 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,1,0,0,0,0|2,0,1]=4 5463 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,1,0,0,0,0|2,0,1]=4 5464 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,1,0,0,0,0|2,0,0]=3 5465 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,1,0,0,0,0|2,0,0]=3 5466 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,1,0,0,0,0|3,0,0]=4 5467 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,1,0,0,0,0|3,0,0]=4 5468 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,1,0,0,0,0|2,0,0]=3 5469 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,1,0,0,0,0|2,0,0]=3 5470 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,1,0,0,0,0|2,0,0]=3 5471 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,1,0,0,0,0|2,0,1]=4 5472 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,1,0,0,0,0|3,0,0]=4 5473 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,1,0,0,0,0|3,0,0]=4 5474 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,1,0,0,0,0|3,0,0]=4 5475 B12R1.30 COCCN(C)c1cccnn1 27a_100000743101_100016991348 [0,1,0,0,0,0|3,0,0]=4 5476 B12R1.30 COCCN(C)c1ccncn1 27a_100000743101_100000703185 [0,1,0,0,0,0|3,0,0]=4 5477 B12R1.30 COCCN(C)c1cnccn1 27a_100000743101_100000211759 [0,1,0,0,0,0|3,0,0]=4 5478 B12R1.30 COCCN(C)c1ncccn1 27a_100000743101_100000211032 [0,1,0,0,0,0|3,0,0]=4 5479 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,1,0,0,0,0|2,0,0]=3 5480 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,1,0,0,0,0|2,0,0]=3 5481 B12R1.30 COCNC(C)c1ccccn1 2230a_100000181244_100000766300 [0,1,0,0,0,0|2,0,0]=3 5482 B12R1.30 COCNC(C)c1ncccn1 2230a_100020641698_100000766300 [0,1,0,0,0,0|3,0,0]=4 5483 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,1,0,0,0,0|3,0,0]=4 5484 B12R1.30 COCN[C@H](C)c1cnccn1 2230a_100020589798_100000766300 [0,1,0,0,0,0|3,0,0]=4 5485 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,1,0,0,0,0|3,0,0]=4 5486 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,1,0,0,0,0|3,0,0]=4 5487 B12R1.30 COCSC(C)c1cnccn1 62a_100000766300_200000703233 [0,1,0,0,0,0|3,0,0]=4 5488 B12R1.30 COCSC(C)c1cnccn1 62a_200000703233_100000766300 [0,1,0,0,0,0|3,0,0]=4 5489 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,1,0,0,0,0|2,0,1]=4 5490 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,1,0,0,0,0|2,0,1]=4 5491 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,1,0,0,0,0|2,0,1]=4 5492 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,1,0,0,0,0|3,0,0]=4 5493 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,1,0,0,0,0|3,0,0]=4 5494 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,1,0,0,0,0|3,0,0]=4 5495 B12R1.30 CSCCN(C)c1cccnn1 27a_100000686725_100016991348 [0,1,0,0,0,0|3,0,0]=4 5496 B12R1.30 CSCCN(C)c1ccncn1 27a_100000686725_100000703185 [0,1,0,0,0,0|3,0,0]=4 5497 B12R1.30 CSCCN(C)c1cnccn1 27a_100000686725_100000211759 [0,1,0,0,0,0|3,0,0]=4 5498 B12R1.30 CSCCN(C)c1ncccn1 27a_100000686725_100000211032 [0,1,0,0,0,0|3,0,0]=4 5499 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,1,0,0,0,0|3,0,0]=4 5500 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,1,0,0,0,0|2,0,0]=3 5501 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,1,0,0,0,0|2,0,0]=3 5502 B12R1.30 CSCNC(C)c1ccccn1 2230a_100000181244_100011218213 [0,1,0,0,0,0|2,0,0]=3 5503 B12R1.30 CSCNC(C)c1ncccn1 2230a_100020641698_100011218213 [0,1,0,0,0,0|3,0,0]=4 5504 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,1,0,0,0,0|3,0,0]=4 5505 B12R1.30 CSCN[C@H](C)c1cnccn1 2230a_100020589798_100011218213 [0,1,0,0,0,0|3,0,0]=4 5506 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,1,0,0,0,0|3,0,0]=4 5507 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,1,0,0,0,0|3,0,0]=4 5508 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,1,0,0,0,0|3,0,0]=4 5509 B12R1.30 CSCSC(C)c1cnccn1 62a_100011218213_200000703233 [0,1,0,0,0,0|3,0,0]=4 5510 B12R1.30 CSCSC(C)c1cnccn1 62a_200000703233_100011218213 [0,1,0,0,0,0|3,0,0]=4 5511 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,1,0,0,0,0|3,0,0]=4 5512 B12R1.30 C[C@@H](NCCF)c1cnccn1 2230a_100020589798_100011217306 [0,1,0,0,0,0|3,0,0]=4 5513 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,1,0,0,0,0|3,0,0]=4 5514 B12R1.30 C[C@@H](NCCO)c1cnccn1 2230a_100020589798_100000211926 [0,1,0,0,0,0|3,0,0]=4 5515 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,1,0,0,0,0|3,0,0]=4 5516 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,1,0,0,0,0|3,0,0]=4 5517 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,1,0,0,0,0|3,0,0]=4 5518 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,1,0,0,0,0|3,0,0]=4 5519 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,0,0|3,0,0]=4 5520 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,1,0,0,0,0|2,0,1]=4 5521 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,1,0,0,0,0|2,0,1]=4 5522 B12R1.30 O=C(CSCF)c1ccccn1 62a_100000027445_100015361967 [0,1,0,0,0,0|2,0,1]=4 5523 B12R1.30 O=C(CSCF)c1ccccn1 62a_100015361967_100000027445 [0,1,0,0,0,0|2,0,1]=4 5524 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,1,0,0,0,0|3,0,0]=4 5525 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,1,0,0,0,0|3,0,0]=4 5526 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,1,0,0,0,0|3,0,0]=4 5527 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,1,0,0,0,0|3,0,0]=4 5528 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 5529 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 5530 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 5531 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,1,0,0,0,0|2,0,0]=3 5532 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,1,0,0,0,0|2,0,0]=3 5533 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,1,0,0,0,0|2,0,1]=4 5534 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,1,0,0,0,0|2,0,1]=4 5535 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,1,0,0,0,0|3,0,0]=4 5536 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,1,0,0,0,0|2,0,0]=3 5537 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,1,0,0,0,0|2,0,0]=3 5538 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100000233486_100000184674 [0,1,0,0,0,0|0,0,3]=4 5539 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100011220946_100000721315 [0,1,0,0,0,0|0,0,3]=4 5540 B12R1.32 C#CCN(C)Cc1ccccn1 2230a_100000207498_100000038162 [0,1,0,0,0,0|1,0,2]=4 5541 B12R1.32 C#CCN(C)Cc1ccccn1 2230a_100000225692_100000721315 [0,1,0,0,0,0|1,0,2]=4 5542 B12R1.32 C#CCN(C)Cc1ccccn1 270004a_100000225692_100000209966 [0,1,0,0,0,0|1,0,2]=4 5543 B12R1.32 C#CCN(C)Cc1ccccn1 34a_100000225692_100000721315 [0,1,0,0,0,0|1,0,2]=4 5544 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,1,0,0,0,0|0,0,3]=4 5545 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,1,0,0,0,0|0,0,3]=4 5546 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000207498_100000210623 [0,1,0,0,0,0|1,0,2]=4 5547 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000225617_100000721315 [0,1,0,0,0,0|1,0,2]=4 5548 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000207498_100000210623 [0,1,0,0,0,0|1,0,2]=4 5549 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000225617_100000721315 [0,1,0,0,0,0|1,0,2]=4 5550 B12R1.32 C=CCN(C)Cc1ccccn1 270004a_100000225617_100000209966 [0,1,0,0,0,0|1,0,2]=4 5551 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,1,0,0,0,0|0,0,3]=4 5552 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100009813641_100011216584 [0,1,0,0,0,0|2,0,1]=4 5553 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100011216584_100009813641 [0,1,0,0,0,0|2,0,1]=4 5554 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,1,0,0,0,0|3,0,0]=4 5555 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,1,0,0,0,0|3,0,0]=4 5556 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,1,0,0,0,0|3,0,0]=4 5557 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,1,0,0,0,0|3,0,0]=4 5558 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,1,0,0,0,0|3,0,0]=4 5559 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,1,0,0,0,0|2,0,0]=3 5560 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,1,0,0,0,0|2,0,0]=3 5561 B12R1.32 CC(CCO)Sc1cccnn1 62a_100009893172_100016991348 [0,1,0,0,0,0|3,0,0]=4 5562 B12R1.32 CC(CCO)Sc1cccnn1 62a_100016991348_100009893172 [0,1,0,0,0,0|3,0,0]=4 5563 B12R1.32 CC(CCO)Sc1ccncn1 62a_100000703185_100009893172 [0,1,0,0,0,0|3,0,0]=4 5564 B12R1.32 CC(CCO)Sc1ccncn1 62a_100009893172_100000703185 [0,1,0,0,0,0|3,0,0]=4 5565 B12R1.32 CC(CCO)Sc1cnccn1 62a_100000211759_100009893172 [0,1,0,0,0,0|3,0,0]=4 5566 B12R1.32 CC(CCO)Sc1cnccn1 62a_100009893172_100000211759 [0,1,0,0,0,0|3,0,0]=4 5567 B12R1.32 CC(CCO)Sc1ncccn1 62a_100000211032_100009893172 [0,1,0,0,0,0|3,0,0]=4 5568 B12R1.32 CC(CCO)Sc1ncccn1 62a_100009893172_100000211032 [0,1,0,0,0,0|3,0,0]=4 5569 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,1,0,0,0,0|3,0,0]=4 5570 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,1,0,0,0,0|3,0,0]=4 5571 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,0,0,0|2,0,0]=3 5572 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,0,0,0|2,0,0]=3 5573 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,1,0,0,0,0|3,0,0]=4 5574 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,1,0,0,0,0|3,0,0]=4 5575 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,1,0,0,0,0|3,0,0]=4 5576 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,1,0,0,0,0|3,0,0]=4 5577 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,1,0,0,0,0|3,0,0]=4 5578 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,1,0,0,0,0|3,0,0]=4 5579 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,1,0,0,0,0|0,0,3]=4 5580 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,1,0,0,0,0|2,0,1]=4 5581 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,0|1,0,1]=3 5582 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,1,0,0,0,0|0,0,1]=2 5583 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,1,0,0,0,0|0,0,1]=2 5584 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,1,0,0,0,0|2,0,1]=4 5585 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,1,0,0,0,0|2,0,1]=4 5586 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,1,0,0,0,0|1,0,1]=3 5587 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,1,0,0,0,0|2,0,1]=4 5588 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,1,0,0,0,0|1,0,1]=3 5589 B12R1.32 CCCC(=O)Cc1ncccn1 1458a_100000211992_100000703007 [0,1,0,0,0,0|1,0,1]=3 5590 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,0,0,0,0|2,0,1]=4 5591 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,0,0,0,0|2,0,1]=4 5592 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,0,0,0,0|2,0,1]=4 5593 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,0,0,0,0|2,0,1]=4 5594 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,1,0,0,0,0|2,0,0]=3 5595 B12R1.32 CCCC(C)Nc1cccnn1 27a_100000741246_100016991348 [0,1,0,0,0,0|2,0,0]=3 5596 B12R1.32 CCCC(C)Nc1ccncn1 27a_100000741246_100000703185 [0,1,0,0,0,0|2,0,0]=3 5597 B12R1.32 CCCC(C)Nc1cnccn1 27a_100000741246_100000211759 [0,1,0,0,0,0|2,0,0]=3 5598 B12R1.32 CCCC(C)Nc1ncccn1 27a_100000741246_100000211032 [0,1,0,0,0,0|2,0,0]=3 5599 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,1,0,0,0,0|2,0,0]=3 5600 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,1,0,0,0,0|2,0,0]=3 5601 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,1,0,0,0,0|3,0,0]=4 5602 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,1,0,0,0,0|3,0,0]=4 5603 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [0,1,0,0,0,0|3,0,0]=4 5604 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,1,0,0,0,0|2,0,0]=3 5605 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,1,0,0,0,0|2,0,0]=3 5606 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,1,0,0,0,0|1,0,0]=2 5607 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,1,0,0,0,0|1,0,0]=2 5608 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,1,0,0,0,0|3,0,0]=4 5609 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,1,0,0,0,0|3,0,0]=4 5610 B12R1.32 CCCC(C)Sc1cccnn1 62a_100000766640_100016991348 [0,1,0,0,0,0|2,0,0]=3 5611 B12R1.32 CCCC(C)Sc1cccnn1 62a_100016991348_100000766640 [0,1,0,0,0,0|2,0,0]=3 5612 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [0,1,0,0,0,0|3,0,0]=4 5613 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [0,1,0,0,0,0|3,0,0]=4 5614 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000703185_100000766640 [0,1,0,0,0,0|2,0,0]=3 5615 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000766640_100000703185 [0,1,0,0,0,0|2,0,0]=3 5616 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000211759_100000766640 [0,1,0,0,0,0|2,0,0]=3 5617 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000766640_100000211759 [0,1,0,0,0,0|2,0,0]=3 5618 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000211032_100000766640 [0,1,0,0,0,0|2,0,0]=3 5619 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000766640_100000211032 [0,1,0,0,0,0|2,0,0]=3 5620 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,1,0,0,0,0|2,0,0]=3 5621 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,1,0,0,0,0|2,0,0]=3 5622 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,1,0,0,0,0|2,0,0]=3 5623 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,1,0,0,0,0|2,0,0]=3 5624 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,1,0,0,0,0|2,0,0]=3 5625 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,1,0,0,0,0|2,0,0]=3 5626 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,1,0,0,0,0|2,0,0]=3 5627 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,1,0,0,0,0|1,0,0]=2 5628 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,1,0,0,0,0|1,0,0]=2 5629 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,1,0,0,0,0|1,0,0]=2 5630 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,1,0,0,0,0|1,0,0]=2 5631 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,1,0,0,0,0|1,0,0]=2 5632 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,1,0,0,0,0|1,0,0]=2 5633 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,1,0,0,0,0|1,0,0]=2 5634 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [0,1,0,0,0,0|3,0,0]=4 5635 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [0,1,0,0,0,0|3,0,0]=4 5636 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [0,1,0,0,0,0|3,0,0]=4 5637 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [0,1,0,0,0,0|3,0,0]=4 5638 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [0,1,0,0,0,0|3,0,0]=4 5639 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [0,1,0,0,0,0|3,0,0]=4 5640 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [0,1,0,0,0,0|3,0,0]=4 5641 B12R1.32 CCCN(C)Cc1cccnn1 2230a_100000747261_100016990269 [0,1,0,0,0,0|2,0,0]=3 5642 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [0,1,0,0,0,0|3,0,0]=4 5643 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [0,1,0,0,0,0|3,0,0]=4 5644 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [0,1,0,0,0,0|3,0,0]=4 5645 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [0,1,0,0,0,0|3,0,0]=4 5646 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [0,1,0,0,0,0|3,0,0]=4 5647 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100000747261_100016995436 [0,1,0,0,0,0|2,0,0]=3 5648 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100011269079_100000210303 [0,1,0,0,0,0|2,0,0]=3 5649 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100000747261_100016995436 [0,1,0,0,0,0|2,0,0]=3 5650 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100011269079_100000210303 [0,1,0,0,0,0|2,0,0]=3 5651 B12R1.32 CCCN(C)Cc1cnccn1 270004a_100000747261_100000749867 [0,1,0,0,0,0|2,0,0]=3 5652 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100000747261_100000703007 [0,1,0,0,0,0|2,0,0]=3 5653 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100025716638_100000210303 [0,1,0,0,0,0|2,0,0]=3 5654 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100000747261_100000703007 [0,1,0,0,0,0|2,0,0]=3 5655 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100025716638_100000210303 [0,1,0,0,0,0|2,0,0]=3 5656 B12R1.32 CCCN(C)Cc1ncccn1 270004a_100000747261_100011532527 [0,1,0,0,0,0|2,0,0]=3 5657 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,1,0,0,0,0|2,0,0]=3 5658 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,1,0,0,0,0|2,0,0]=3 5659 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,1,0,0,0,0|1,0,0]=2 5660 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,1,0,0,0,0|1,0,0]=2 5661 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [0,1,0,0,0,0|3,0,0]=4 5662 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [0,1,0,0,0,0|3,0,0]=4 5663 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [0,1,0,0,0,0|3,0,0]=4 5664 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,1,0,0,0,0|1,0,1]=3 5665 B12R1.32 CCNC(=O)Cc1cnccn1 11a_100015525214_100000726051 [0,1,0,0,0,0|2,0,1]=4 5666 B12R1.32 CCNC(=O)Cc1cnccn1 240690a_100015525214_100000726051 [0,1,0,0,0,0|2,0,1]=4 5667 B12R1.32 CCNC(=O)Cc1cnccn1 527a_100015525214_100000726051 [0,1,0,0,0,0|2,0,1]=4 5668 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,1,0,0,0,0|3,0,0]=4 5669 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,1,0,0,0,0|1,0,0]=2 5670 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,1,0,0,0,0|3,0,0]=4 5671 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,1,0,0,0,0|3,0,0]=4 5672 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,1,0,0,0,0|3,0,0]=4 5673 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [0,1,0,0,0,0|2,0,0]=3 5674 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [0,1,0,0,0,0|2,0,0]=3 5675 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,0,0,0|2,0,0]=3 5676 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,0,0,0|2,0,0]=3 5677 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,0,0,0|2,0,0]=3 5678 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,1,0,0,0,0|2,0,0]=3 5679 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,1,0,0,0,0|2,0,0]=3 5680 B12R1.32 CN(CC#N)Cc1ccccn1 2230a_100000207498_100011215382 [0,1,0,0,0,0|2,0,1]=4 5681 B12R1.32 CN(CC#N)Cc1ccccn1 2230a_100000748184_100000721315 [0,1,0,0,0,0|2,0,1]=4 5682 B12R1.32 CN(CC#N)Cc1ccccn1 269982a_100000207498_100011214920 [0,1,0,0,0,0|2,0,1]=4 5683 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [0,1,0,0,0,0|2,0,1]=4 5684 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [0,1,0,0,0,0|2,0,1]=4 5685 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,1,0,0,0,0|3,0,0]=4 5686 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,1,0,0,0,0|3,0,0]=4 5687 B12R1.32 CN(CCF)Cc1ccccn1 2230a_100000207498_100011217306 [0,1,0,0,0,0|2,0,0]=3 5688 B12R1.32 CN(CCF)Cc1ccccn1 269982a_100000207498_100011217306 [0,1,0,0,0,0|2,0,0]=3 5689 B12R1.32 CN(CCF)Cc1cnccn1 2230a_100011269079_100011217306 [0,1,0,0,0,0|3,0,0]=4 5690 B12R1.32 CN(CCF)Cc1cnccn1 269982a_100011269079_100011217306 [0,1,0,0,0,0|3,0,0]=4 5691 B12R1.32 CN(CCF)Cc1ncccn1 2230a_100025716638_100011217306 [0,1,0,0,0,0|3,0,0]=4 5692 B12R1.32 CN(CCF)Cc1ncccn1 269982a_100025716638_100011217306 [0,1,0,0,0,0|3,0,0]=4 5693 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,1,0,0,0,0|3,0,0]=4 5694 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,1,0,0,0,0|3,0,0]=4 5695 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,1,0,0,0,0|3,0,0]=4 5696 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,1,0,0,0,0|3,0,0]=4 5697 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,1,0,0,0,0|3,0,0]=4 5698 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,1,0,0,0,0|3,0,0]=4 5699 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,1,0,0,0,0|3,0,0]=4 5700 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,1,0,0,0,0|2,0,0]=3 5701 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,1,0,0,0,0|2,0,0]=3 5702 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,1,0,0,0,0|2,0,0]=3 5703 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,1,0,0,0,0|2,0,0]=3 5704 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,1,0,0,0,0|2,0,0]=3 5705 B12R1.32 CN(CCO)Cc1cccnn1 2230a_100000210263_100016990269 [0,1,0,0,0,0|3,0,0]=4 5706 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100000210263_100016995436 [0,1,0,0,0,0|3,0,0]=4 5707 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100011269079_100000211926 [0,1,0,0,0,0|3,0,0]=4 5708 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100000210263_100016995436 [0,1,0,0,0,0|3,0,0]=4 5709 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100011269079_100000211926 [0,1,0,0,0,0|3,0,0]=4 5710 B12R1.32 CN(CCO)Cc1cnccn1 270004a_100000210263_100000749867 [0,1,0,0,0,0|3,0,0]=4 5711 B12R1.32 CN(CCO)Cc1ncccn1 2230a_100000210263_100000703007 [0,1,0,0,0,0|3,0,0]=4 5712 B12R1.32 CN(CCO)Cc1ncccn1 2230a_100025716638_100000211926 [0,1,0,0,0,0|3,0,0]=4 5713 B12R1.32 CN(CCO)Cc1ncccn1 269982a_100000210263_100000703007 [0,1,0,0,0,0|3,0,0]=4 5714 B12R1.32 CN(CCO)Cc1ncccn1 269982a_100025716638_100000211926 [0,1,0,0,0,0|3,0,0]=4 5715 B12R1.32 CN(CCO)Cc1ncccn1 270004a_100000210263_100011532527 [0,1,0,0,0,0|3,0,0]=4 5716 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,0|2,0,1]=4 5717 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,0|2,0,1]=4 5718 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,1,0,0,0,0|2,0,1]=4 5719 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,1,0,0,0,0|2,0,1]=4 5720 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,1,0,0,0,0|3,0,0]=4 5721 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,1,0,0,0,0|3,0,0]=4 5722 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,0,0,0|2,0,0]=3 5723 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,0,0,0|2,0,0]=3 5724 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,0,0,0|2,0,0]=3 5725 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,0,0,0|2,0,0]=3 5726 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,1,0,0,0,0|2,0,1]=4 5727 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,0|2,0,1]=4 5728 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,1,0,0,0,0|1,0,1]=3 5729 B12R1.32 COCC(=O)Cc1cccnn1 1458a_100000210968_100016990269 [0,1,0,0,0,0|2,0,1]=4 5730 B12R1.32 COCC(=O)Cc1cnccn1 1458a_100000210968_100016995436 [0,1,0,0,0,0|2,0,1]=4 5731 B12R1.32 COCC(=O)Cc1ncccn1 1458a_100000210968_100000703007 [0,1,0,0,0,0|2,0,1]=4 5732 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,0,0,0|2,0,0]=3 5733 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,0,0,0|2,0,0]=3 5734 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,1,0,0,0,0|3,0,0]=4 5735 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,1,0,0,0,0|3,0,0]=4 5736 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,1,0,0,0,0|3,0,0]=4 5737 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,1,0,0,0,0|3,0,0]=4 5738 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,1,0,0,0,0|3,0,0]=4 5739 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,1,0,0,0,0|3,0,0]=4 5740 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,1,0,0,0,0|3,0,0]=4 5741 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [0,1,0,0,0,0|2,0,0]=3 5742 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [0,1,0,0,0,0|2,0,0]=3 5743 B12R1.32 COCC(C)Sc1cccnn1 62a_100000765312_100016991348 [0,1,0,0,0,0|3,0,0]=4 5744 B12R1.32 COCC(C)Sc1cccnn1 62a_100016991348_100000765312 [0,1,0,0,0,0|3,0,0]=4 5745 B12R1.32 COCC(C)Sc1ccncn1 62a_100000703185_100000765312 [0,1,0,0,0,0|3,0,0]=4 5746 B12R1.32 COCC(C)Sc1ccncn1 62a_100000765312_100000703185 [0,1,0,0,0,0|3,0,0]=4 5747 B12R1.32 COCC(C)Sc1cnccn1 62a_100000211759_100000765312 [0,1,0,0,0,0|3,0,0]=4 5748 B12R1.32 COCC(C)Sc1cnccn1 62a_100000765312_100000211759 [0,1,0,0,0,0|3,0,0]=4 5749 B12R1.32 COCC(C)Sc1ncccn1 62a_100000211032_100000765312 [0,1,0,0,0,0|3,0,0]=4 5750 B12R1.32 COCC(C)Sc1ncccn1 62a_100000765312_100000211032 [0,1,0,0,0,0|3,0,0]=4 5751 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,1,0,0,0,0|2,0,0]=3 5752 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,1,0,0,0,0|3,0,0]=4 5753 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,1,0,0,0,0|3,0,0]=4 5754 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,1,0,0,0,0|2,0,0]=3 5755 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,1,0,0,0,0|2,0,0]=3 5756 B12R1.32 COCN(C)Cc1cnccn1 2230a_100011269079_100000766300 [0,1,0,0,0,0|3,0,0]=4 5757 B12R1.32 COCN(C)Cc1cnccn1 269982a_100011269079_100000766300 [0,1,0,0,0,0|3,0,0]=4 5758 B12R1.32 COCN(C)Cc1ncccn1 2230a_100025716638_100000766300 [0,1,0,0,0,0|3,0,0]=4 5759 B12R1.32 COCN(C)Cc1ncccn1 269982a_100025716638_100000766300 [0,1,0,0,0,0|3,0,0]=4 5760 B12R1.32 COC[C@@H](C)Nc1cccnn1 27a_100000764878_100016991348 [0,1,0,0,0,0|3,0,0]=4 5761 B12R1.32 COC[C@@H](C)Nc1ccncn1 27a_100000764878_100000703185 [0,1,0,0,0,0|3,0,0]=4 5762 B12R1.32 COC[C@@H](C)Nc1cnccn1 27a_100000764878_100000211759 [0,1,0,0,0,0|3,0,0]=4 5763 B12R1.32 COC[C@@H](C)Nc1ncccn1 27a_100000764878_100000211032 [0,1,0,0,0,0|3,0,0]=4 5764 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,0,0,0|2,0,0]=3 5765 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,0|2,0,1]=4 5766 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,0|2,0,1]=4 5767 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,0|2,0,1]=4 5768 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,1,0,0,0,0|1,0,1]=3 5769 B12R1.32 CSCC(=O)Cc1cccnn1 1458a_100000184570_100016990269 [0,1,0,0,0,0|2,0,1]=4 5770 B12R1.32 CSCC(=O)Cc1cnccn1 1458a_100000184570_100016995436 [0,1,0,0,0,0|2,0,1]=4 5771 B12R1.32 CSCC(=O)Cc1ncccn1 1458a_100000184570_100000703007 [0,1,0,0,0,0|2,0,1]=4 5772 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,1,0,0,0,0|2,0,1]=4 5773 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,1,0,0,0,0|2,0,1]=4 5774 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,1,0,0,0,0|3,0,0]=4 5775 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,1,0,0,0,0|3,0,0]=4 5776 B12R1.32 CSCN(C)Cc1ccccn1 2230a_100000207498_100011218213 [0,1,0,0,0,0|2,0,0]=3 5777 B12R1.32 CSCN(C)Cc1ccccn1 269982a_100000207498_100011218213 [0,1,0,0,0,0|2,0,0]=3 5778 B12R1.32 CSCN(C)Cc1cnccn1 2230a_100011269079_100011218213 [0,1,0,0,0,0|3,0,0]=4 5779 B12R1.32 CSCN(C)Cc1cnccn1 269982a_100011269079_100011218213 [0,1,0,0,0,0|3,0,0]=4 5780 B12R1.32 CSCN(C)Cc1ncccn1 2230a_100025716638_100011218213 [0,1,0,0,0,0|3,0,0]=4 5781 B12R1.32 CSCN(C)Cc1ncccn1 269982a_100025716638_100011218213 [0,1,0,0,0,0|3,0,0]=4 5782 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,1,0,0,0,0|2,0,0]=3 5783 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,1,0,0,0,0|2,0,0]=3 5784 B12R1.32 C[C@H](CCO)Nc1cccnn1 27a_100000706166_100016991348 [0,1,0,0,0,0|3,0,0]=4 5785 B12R1.32 C[C@H](CCO)Nc1ccncn1 27a_100000706166_100000703185 [0,1,0,0,0,0|3,0,0]=4 5786 B12R1.32 C[C@H](CCO)Nc1cnccn1 27a_100000706166_100000211759 [0,1,0,0,0,0|3,0,0]=4 5787 B12R1.32 C[C@H](CCO)Nc1ncccn1 27a_100000706166_100000211032 [0,1,0,0,0,0|3,0,0]=4 5788 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100000233486_100011214920 [0,1,0,0,0,0|1,0,2]=4 5789 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100051588842_100000721315 [0,1,0,0,0,0|1,0,2]=4 5790 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,1,0,0,0,0|1,0,1]=3 5791 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,0|2,0,1]=4 5792 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,1,0,0,0,0|1,0,1]=3 5793 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,1,0,0,0,0|1,0,1]=3 5794 B12R1.32 O=C(CCO)Cc1cccnn1 1458a_100011216618_100016990269 [0,1,0,0,0,0|2,0,1]=4 5795 B12R1.32 O=C(CCO)Cc1cnccn1 1458a_100011216618_100016995436 [0,1,0,0,0,0|2,0,1]=4 5796 B12R1.32 O=C(CCO)Cc1ncccn1 1458a_100011216618_100000703007 [0,1,0,0,0,0|2,0,1]=4 5797 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,1,0,0,0,0|3,0,0]=4 5798 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,1,0,0,0,0|3,0,0]=4 5799 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,0,0,0|2,0,0]=3 5800 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,1,0,0,0,0|2,0,0]=3 5801 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,0|2,0,1]=4 5802 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,0|2,0,1]=4 5803 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,1,0,0,0,0|2,0,1]=4 5804 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,1,0,0,0,0|2,0,1]=4 5805 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,1,0,0,0,0|2,0,0]=3 5806 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,1,0,0,0,0|2,0,0]=3 5807 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,1,0,0,0,0|2,0,1]=4 5808 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,1,0,0,0,0|2,0,1]=4 5809 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,1,0,0,0,0|2,0,1]=4 5810 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,1,0,0,0,0|2,0,1]=4 5811 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,1,0,0,0,0|2,0,1]=4 5812 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,1,0,0,0,0|1,0,1]=3 5813 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,1,0,0,0,0|1,0,1]=3 5814 B12R1.252 C=C(C)CCSc1cccnn1 62a_100000730704_100016991348 [0,1,0,0,0,0|2,0,1]=4 5815 B12R1.252 C=C(C)CCSc1cccnn1 62a_100016991348_100000730704 [0,1,0,0,0,0|2,0,1]=4 5816 B12R1.252 C=C(C)CCSc1ccncn1 62a_100000703185_100000730704 [0,1,0,0,0,0|2,0,1]=4 5817 B12R1.252 C=C(C)CCSc1ccncn1 62a_100000730704_100000703185 [0,1,0,0,0,0|2,0,1]=4 5818 B12R1.252 C=C(C)CCSc1cnccn1 62a_100000211759_100000730704 [0,1,0,0,0,0|2,0,1]=4 5819 B12R1.252 C=C(C)CCSc1cnccn1 62a_100000730704_100000211759 [0,1,0,0,0,0|2,0,1]=4 5820 B12R1.252 C=C(C)CCSc1ncccn1 62a_100000211032_100000730704 [0,1,0,0,0,0|2,0,1]=4 5821 B12R1.252 C=C(C)CCSc1ncccn1 62a_100000730704_100000211032 [0,1,0,0,0,0|2,0,1]=4 5822 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,1,0,0,0,0|2,0,1]=4 5823 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,1,0,0,0,0|2,0,1]=4 5824 B12R1.252 C=C(C)CNCc1cccnn1 2230a_100159270163_100000748629 [0,1,0,0,0,0|2,0,1]=4 5825 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,1,0,0,0,0|2,0,1]=4 5826 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,1,0,0,0,0|2,0,1]=4 5827 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,1,0,0,0,0|2,0,1]=4 5828 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,1,0,0,0,0|1,0,1]=3 5829 B12R1.252 C=C(C)COCc1cccnn1 34a_100000210245_100016990269 [0,1,0,0,0,0|2,0,1]=4 5830 B12R1.252 C=C(C)COCc1cnccn1 34a_100000210245_100016995436 [0,1,0,0,0,0|2,0,1]=4 5831 B12R1.252 C=C(C)COCc1ncccn1 34a_100000210245_100000703007 [0,1,0,0,0,0|2,0,1]=4 5832 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,1,0,0,0,0|2,0,1]=4 5833 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,1,0,0,0,0|2,0,1]=4 5834 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,1,0,0,0,0|1,0,1]=3 5835 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,1,0,0,0,0|1,0,1]=3 5836 B12R1.252 C=C(C)CSCc1cccnn1 62a_100000748629_100016990269 [0,1,0,0,0,0|2,0,1]=4 5837 B12R1.252 C=C(C)CSCc1cccnn1 62a_100016990269_100000211660 [0,1,0,0,0,0|2,0,1]=4 5838 B12R1.252 C=C(C)CSCc1cnccn1 62a_100000748629_100016995436 [0,1,0,0,0,0|2,0,1]=4 5839 B12R1.252 C=C(C)CSCc1cnccn1 62a_100016995436_100000211660 [0,1,0,0,0,0|2,0,1]=4 5840 B12R1.252 C=C(C)CSCc1ncccn1 62a_100000703007_100000211660 [0,1,0,0,0,0|2,0,1]=4 5841 B12R1.252 C=C(C)CSCc1ncccn1 62a_100000748629_100000703007 [0,1,0,0,0,0|2,0,1]=4 5842 B12R1.252 C=C(F)COCc1ccccn1 34a_200010262243_100000721315 [0,1,0,0,0,0|1,0,2]=4 5843 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000042424_100000721315 [0,1,0,0,0,0|1,0,2]=4 5844 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000721315_100000042424 [0,1,0,0,0,0|1,0,2]=4 5845 B12R1.252 CC(=CCSc1ccccn1)C 62a_100000761012_100011216584 [0,1,0,0,0,0|1,0,2]=4 5846 B12R1.252 CC(=CCSc1ccccn1)C 62a_100011216584_100000761012 [0,1,0,0,0,0|1,0,2]=4 5847 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,1,0,0,0,0|1,0,1]=3 5848 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,1,0,0,0,0|1,0,1]=3 5849 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,1,0,0,0,0|0,0,1]=2 5850 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,1,0,0,0,0|2,0,1]=4 5851 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,1,0,0,0,0|2,0,1]=4 5852 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,1,0,0,0,0|2,0,1]=4 5853 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,1,0,0,0,0|2,0,1]=4 5854 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,1,0,0,0,0|2,0,1]=4 5855 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,1,0,0,0,0|2,0,1]=4 5856 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,1,0,0,0,0|2,0,1]=4 5857 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,1,0,0,0,0|2,0,1]=4 5858 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,1,0,0,0,0|1,0,1]=3 5859 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,1,0,0,0,0|1,0,1]=3 5860 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,1,0,0,0,0|2,0,1]=4 5861 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,1,0,0,0,0|2,0,1]=4 5862 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,1,0,0,0,0|2,0,1]=4 5863 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,1,0,0,0,0|2,0,1]=4 5864 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,1,0,0,0,0|2,0,1]=4 5865 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,1,0,0,0,0|2,0,1]=4 5866 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,1,0,0,0,0|2,0,1]=4 5867 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,1,0,0,0,0|2,0,1]=4 5868 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,1,0,0,0,0|2,0,1]=4 5869 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,1,0,0,0,0|2,0,1]=4 5870 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,1,0,0,0,0|1,0,1]=3 5871 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,1,0,0,0,0|2,0,1]=4 5872 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,1,0,0,0,0|2,0,1]=4 5873 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,1,0,0,0,0|2,0,1]=4 5874 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,1,0,0,0,0|2,0,1]=4 5875 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,1,0,0,0,0|2,0,1]=4 5876 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,1,0,0,0,0|1,0,1]=3 5877 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,1,0,0,0,0|2,0,1]=4 5878 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,1,0,0,0,0|2,0,1]=4 5879 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,1,0,0,0,0|2,0,1]=4 5880 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,1,0,0,0,0|2,0,1]=4 5881 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,1,0,0,0,0|1,0,1]=3 5882 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,1,0,0,0,0|1,0,1]=3 5883 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,1,0,0,0,0|1,0,1]=3 5884 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,1,0,0,0,0|1,0,1]=3 5885 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,1,0,0,0,0|2,0,1]=4 5886 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,1,0,0,0,0|2,0,1]=4 5887 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,1,0,0,0,0|2,0,1]=4 5888 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,1,0,0,0,0|2,0,1]=4 5889 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,1,0,0,0,0|2,0,1]=4 5890 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,1,0,0,0,0|2,0,1]=4 5891 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,1,0,0,0,0|2,0,1]=4 5892 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,1,0,0,0,0|2,0,0]=3 5893 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,1,0,0,0,0|1,0,0]=2 5894 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [0,1,0,0,0,0|3,0,0]=4 5895 B12R1.252 CC(Br)COCc1cccnn1 34a_100012180447_100016990269 [0,1,0,0,0,0|2,0,0]=3 5896 B12R1.252 CC(Br)COCc1cnccn1 34a_100012180447_100016995436 [0,1,0,0,0,0|2,0,0]=3 5897 B12R1.252 CC(Br)COCc1ncccn1 34a_100012180447_100000703007 [0,1,0,0,0,0|2,0,0]=3 5898 B12R1.252 CC(C)C=NNc1ccccn1 4a_100000183288_100000210432 [0,1,0,0,0,0|2,0,1]=4 5899 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,1,0,0,0,0|1,0,2]=4 5900 B12R1.252 CC(C)CC=Cc1ccccn1 271570a_100016259101_100011216584 [0,1,0,0,0,0|0,0,2]=3 5901 B12R1.252 CC(C)CC=Cc1cccnn1 271570a_100016259101_100016991348 [0,1,0,0,0,0|1,0,2]=4 5902 B12R1.252 CC(C)CC=Cc1ccncn1 271570a_100016259101_100000703185 [0,1,0,0,0,0|1,0,2]=4 5903 B12R1.252 CC(C)CC=Cc1cnccn1 271570a_100016259101_100000758340 [0,1,0,0,0,0|1,0,2]=4 5904 B12R1.252 CC(C)CC=Cc1ncccn1 271570a_100016259101_100000211032 [0,1,0,0,0,0|1,0,2]=4 5905 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,1,0,0,0,0|2,0,0]=3 5906 B12R1.252 CC(C)CCNc1cccnn1 27a_100000210545_100016991348 [0,1,0,0,0,0|2,0,0]=3 5907 B12R1.252 CC(C)CCNc1ccncn1 27a_100000210545_100000703185 [0,1,0,0,0,0|2,0,0]=3 5908 B12R1.252 CC(C)CCNc1cnccn1 27a_100000210545_100000211759 [0,1,0,0,0,0|2,0,0]=3 5909 B12R1.252 CC(C)CCNc1ncccn1 27a_100000210545_100000211032 [0,1,0,0,0,0|2,0,0]=3 5910 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,1,0,0,0,0|2,0,0]=3 5911 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,1,0,0,0,0|2,0,0]=3 5912 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,1,0,0,0,0|3,0,0]=4 5913 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,1,0,0,0,0|3,0,0]=4 5914 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,1,0,0,0,0|3,0,0]=4 5915 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,1,0,0,0,0|2,0,0]=3 5916 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,1,0,0,0,0|2,0,0]=3 5917 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,1,0,0,0,0|1,0,0]=2 5918 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,1,0,0,0,0|1,0,0]=2 5919 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [0,1,0,0,0,0|3,0,0]=4 5920 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [0,1,0,0,0,0|3,0,0]=4 5921 B12R1.252 CC(C)CCSc1cccnn1 62a_100000210312_100016991348 [0,1,0,0,0,0|2,0,0]=3 5922 B12R1.252 CC(C)CCSc1cccnn1 62a_100016991348_100000210312 [0,1,0,0,0,0|2,0,0]=3 5923 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [0,1,0,0,0,0|3,0,0]=4 5924 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [0,1,0,0,0,0|3,0,0]=4 5925 B12R1.252 CC(C)CCSc1ccncn1 62a_100000210312_100000703185 [0,1,0,0,0,0|2,0,0]=3 5926 B12R1.252 CC(C)CCSc1ccncn1 62a_100000703185_100000210312 [0,1,0,0,0,0|2,0,0]=3 5927 B12R1.252 CC(C)CCSc1cnccn1 62a_100000210312_100000211759 [0,1,0,0,0,0|2,0,0]=3 5928 B12R1.252 CC(C)CCSc1cnccn1 62a_100000211759_100000210312 [0,1,0,0,0,0|2,0,0]=3 5929 B12R1.252 CC(C)CCSc1ncccn1 62a_100000210312_100000211032 [0,1,0,0,0,0|2,0,0]=3 5930 B12R1.252 CC(C)CCSc1ncccn1 62a_100000211032_100000210312 [0,1,0,0,0,0|2,0,0]=3 5931 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,1,0,0,0,0|2,0,0]=3 5932 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,1,0,0,0,0|2,0,0]=3 5933 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,1,0,0,0,0|2,0,0]=3 5934 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,1,0,0,0,0|2,0,0]=3 5935 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,1,0,0,0,0|2,0,0]=3 5936 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,1,0,0,0,0|2,0,0]=3 5937 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,1,0,0,0,0|2,0,0]=3 5938 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,1,0,0,0,0|1,0,0]=2 5939 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,1,0,0,0,0|1,0,0]=2 5940 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,1,0,0,0,0|1,0,0]=2 5941 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,1,0,0,0,0|1,0,0]=2 5942 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,1,0,0,0,0|1,0,0]=2 5943 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,1,0,0,0,0|3,0,0]=4 5944 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,1,0,0,0,0|3,0,0]=4 5945 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,1,0,0,0,0|3,0,0]=4 5946 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,1,0,0,0,0|3,0,0]=4 5947 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,1,0,0,0,0|3,0,0]=4 5948 B12R1.252 CC(C)CNCc1cccnn1 2230a_100000210953_100016990269 [0,1,0,0,0,0|2,0,0]=3 5949 B12R1.252 CC(C)CNCc1cccnn1 2230a_100159270163_100000210760 [0,1,0,0,0,0|2,0,0]=3 5950 B12R1.252 CC(C)CNCc1cccnn1 34a_100000210953_100016990269 [0,1,0,0,0,0|2,0,0]=3 5951 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,1,0,0,0,0|3,0,0]=4 5952 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,1,0,0,0,0|3,0,0]=4 5953 B12R1.252 CC(C)CNCc1cnccn1 2230a_100000210953_100016995436 [0,1,0,0,0,0|2,0,0]=3 5954 B12R1.252 CC(C)CNCc1cnccn1 270004a_100000210953_100000749867 [0,1,0,0,0,0|2,0,0]=3 5955 B12R1.252 CC(C)CNCc1cnccn1 34a_100000210953_100016995436 [0,1,0,0,0,0|2,0,0]=3 5956 B12R1.252 CC(C)CNCc1ncccn1 2230a_100000210953_100000703007 [0,1,0,0,0,0|2,0,0]=3 5957 B12R1.252 CC(C)CNCc1ncccn1 270004a_100000210953_100011532527 [0,1,0,0,0,0|2,0,0]=3 5958 B12R1.252 CC(C)CNCc1ncccn1 34a_100000210953_100000703007 [0,1,0,0,0,0|2,0,0]=3 5959 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,1,0,0,0,0|2,0,0]=3 5960 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,1,0,0,0,0|2,0,0]=3 5961 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,1,0,0,0,0|2,0,0]=3 5962 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,1,0,0,0,0|1,0,0]=2 5963 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,1,0,0,0,0|3,0,0]=4 5964 B12R1.252 CC(C)COCc1cccnn1 34a_100000210257_100016990269 [0,1,0,0,0,0|2,0,0]=3 5965 B12R1.252 CC(C)COCc1cnccn1 34a_100000210257_100016995436 [0,1,0,0,0,0|2,0,0]=3 5966 B12R1.252 CC(C)COCc1ncccn1 34a_100000210257_100000703007 [0,1,0,0,0,0|2,0,0]=3 5967 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,1,0,0,0,0|2,0,0]=3 5968 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,1,0,0,0,0|2,0,0]=3 5969 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,1,0,0,0,0|1,0,0]=2 5970 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,1,0,0,0,0|1,0,0]=2 5971 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,1,0,0,0,0|3,0,0]=4 5972 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,1,0,0,0,0|3,0,0]=4 5973 B12R1.252 CC(C)CSCc1cccnn1 62a_100000210624_100016990269 [0,1,0,0,0,0|2,0,0]=3 5974 B12R1.252 CC(C)CSCc1cccnn1 62a_100016990269_100000210760 [0,1,0,0,0,0|2,0,0]=3 5975 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,1,0,0,0,0|3,0,0]=4 5976 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,1,0,0,0,0|3,0,0]=4 5977 B12R1.252 CC(C)CSCc1cnccn1 62a_100000210624_100016995436 [0,1,0,0,0,0|2,0,0]=3 5978 B12R1.252 CC(C)CSCc1cnccn1 62a_100016995436_100000210760 [0,1,0,0,0,0|2,0,0]=3 5979 B12R1.252 CC(C)CSCc1ncccn1 62a_100000210624_100000703007 [0,1,0,0,0,0|2,0,0]=3 5980 B12R1.252 CC(C)CSCc1ncccn1 62a_100000703007_100000210760 [0,1,0,0,0,0|2,0,0]=3 5981 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,1,0,0,0,0|2,0,0]=3 5982 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,1,0,0,0,0|2,0,0]=3 5983 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,1,0,0,0,0|2,0,0]=3 5984 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,1,0,0,0,0|2,0,0]=3 5985 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,1,0,0,0,0|1,0,0]=2 5986 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,1,0,0,0,0|3,0,0]=4 5987 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,1,0,0,0,0|3,0,0]=4 5988 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,1,0,0,0,0|3,0,0]=4 5989 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,1,0,0,0,0|3,0,0]=4 5990 B12R1.252 CC(C)NN=Cc1ccccn1 4a_100000741168_100000209966 [0,1,0,0,0,0|2,0,1]=4 5991 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,1,0,0,0,0|2,0,0]=3 5992 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,1,0,0,0,0|2,0,0]=3 5993 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,1,0,0,0,0|2,0,0]=3 5994 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,1,0,0,0,0|1,0,0]=2 5995 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [0,1,0,0,0,0|3,0,0]=4 5996 B12R1.252 CC(C)OCCc1ccncc1 34a_100011216225_100000210206 [0,1,0,0,0,0|3,0,0]=4 5997 B12R1.252 CC(C)OCCc1cnccn1 34a_100011349526_100000210206 [0,1,0,0,0,0|2,0,0]=3 5998 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [0,1,0,0,0,0|3,0,0]=4 5999 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,1,0,0,0,0|3,0,0]=4 6000 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [0,1,0,0,0,0|3,0,0]=4 6001 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [0,1,0,0,0,0|3,0,0]=4 6002 B12R1.252 CC(C)OCSc1ccccn1 62a_100000709892_100011216584 [0,1,0,0,0,0|2,0,0]=3 6003 B12R1.252 CC(C)OCSc1ccccn1 62a_100011216584_100000709892 [0,1,0,0,0,0|2,0,0]=3 6004 B12R1.252 CC(C)OCSc1cccnn1 62a_100000709892_100016991348 [0,1,0,0,0,0|3,0,0]=4 6005 B12R1.252 CC(C)OCSc1cccnn1 62a_100016991348_100000709892 [0,1,0,0,0,0|3,0,0]=4 6006 B12R1.252 CC(C)OCSc1ccncn1 62a_100000703185_100000709892 [0,1,0,0,0,0|3,0,0]=4 6007 B12R1.252 CC(C)OCSc1ccncn1 62a_100000709892_100000703185 [0,1,0,0,0,0|3,0,0]=4 6008 B12R1.252 CC(C)OCSc1cnccn1 62a_100000211759_100000709892 [0,1,0,0,0,0|3,0,0]=4 6009 B12R1.252 CC(C)OCSc1cnccn1 62a_100000709892_100000211759 [0,1,0,0,0,0|3,0,0]=4 6010 B12R1.252 CC(C)OCSc1ncccn1 62a_100000211032_100000709892 [0,1,0,0,0,0|3,0,0]=4 6011 B12R1.252 CC(C)OCSc1ncccn1 62a_100000709892_100000211032 [0,1,0,0,0,0|3,0,0]=4 6012 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,1,0,0,0,0|2,0,0]=3 6013 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,1,0,0,0,0|2,0,0]=3 6014 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,1,0,0,0,0|1,0,0]=2 6015 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,1,0,0,0,0|1,0,0]=2 6016 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [0,1,0,0,0,0|3,0,0]=4 6017 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [0,1,0,0,0,0|3,0,0]=4 6018 B12R1.252 CC(C)SCCc1ccncc1 62a_100000210206_100000723409 [0,1,0,0,0,0|3,0,0]=4 6019 B12R1.252 CC(C)SCCc1ccncc1 62a_100000723409_100000210206 [0,1,0,0,0,0|3,0,0]=4 6020 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [0,1,0,0,0,0|3,0,0]=4 6021 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [0,1,0,0,0,0|3,0,0]=4 6022 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,1,0,0,0,0|2,0,0]=3 6023 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,1,0,0,0,0|1,0,0]=2 6024 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [0,1,0,0,0,0|3,0,0]=4 6025 B12R1.252 CC(F)COCc1cccnn1 34a_100015925927_100016990269 [0,1,0,0,0,0|2,0,0]=3 6026 B12R1.252 CC(F)COCc1cnccn1 34a_100015925927_100016995436 [0,1,0,0,0,0|2,0,0]=3 6027 B12R1.252 CC(F)COCc1ncccn1 34a_100015925927_100000703007 [0,1,0,0,0,0|2,0,0]=3 6028 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,1,0,0,0,0|2,0,0]=3 6029 B12R1.252 CC(O)CCNc1cccnn1 27a_200000755665_100016991348 [0,1,0,0,0,0|2,0,0]=3 6030 B12R1.252 CC(O)CCNc1ccncn1 27a_200000755665_100000703185 [0,1,0,0,0,0|2,0,0]=3 6031 B12R1.252 CC(O)CCNc1cnccn1 27a_200000755665_100000211759 [0,1,0,0,0,0|2,0,0]=3 6032 B12R1.252 CC(O)CCNc1ncccn1 27a_200000755665_100000211032 [0,1,0,0,0,0|2,0,0]=3 6033 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,1,0,0,0,0|2,0,0]=3 6034 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,1,0,0,0,0|2,0,0]=3 6035 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,1,0,0,0,0|3,0,0]=4 6036 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,1,0,0,0,0|3,0,0]=4 6037 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,1,0,0,0,0|3,0,0]=4 6038 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,1,0,0,0,0|2,0,0]=3 6039 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,1,0,0,0,0|2,0,0]=3 6040 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,1,0,0,0,0|1,0,0]=2 6041 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,1,0,0,0,0|1,0,0]=2 6042 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,1,0,0,0,0|3,0,0]=4 6043 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,1,0,0,0,0|3,0,0]=4 6044 B12R1.252 CC(O)CCSc1cccnn1 62a_100012276601_100016991348 [0,1,0,0,0,0|2,0,0]=3 6045 B12R1.252 CC(O)CCSc1cccnn1 62a_100016991348_100012276601 [0,1,0,0,0,0|2,0,0]=3 6046 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,1,0,0,0,0|3,0,0]=4 6047 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,1,0,0,0,0|3,0,0]=4 6048 B12R1.252 CC(O)CCSc1ccncn1 62a_100000703185_100012276601 [0,1,0,0,0,0|2,0,0]=3 6049 B12R1.252 CC(O)CCSc1ccncn1 62a_100012276601_100000703185 [0,1,0,0,0,0|2,0,0]=3 6050 B12R1.252 CC(O)CCSc1cnccn1 62a_100000211759_100012276601 [0,1,0,0,0,0|2,0,0]=3 6051 B12R1.252 CC(O)CCSc1cnccn1 62a_100012276601_100000211759 [0,1,0,0,0,0|2,0,0]=3 6052 B12R1.252 CC(O)CCSc1ncccn1 62a_100000211032_100012276601 [0,1,0,0,0,0|2,0,0]=3 6053 B12R1.252 CC(O)CCSc1ncccn1 62a_100012276601_100000211032 [0,1,0,0,0,0|2,0,0]=3 6054 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,1,0,0,0,0|2,0,0]=3 6055 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,1,0,0,0,0|2,0,0]=3 6056 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,1,0,0,0,0|2,0,0]=3 6057 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,1,0,0,0,0|2,0,0]=3 6058 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,0|2,0,0]=3 6059 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,1,0,0,0,0|2,0,0]=3 6060 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,1,0,0,0,0|1,0,0]=2 6061 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,1,0,0,0,0|1,0,0]=2 6062 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,1,0,0,0,0|1,0,0]=2 6063 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,1,0,0,0,0|1,0,0]=2 6064 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,1,0,0,0,0|3,0,0]=4 6065 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,1,0,0,0,0|3,0,0]=4 6066 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,1,0,0,0,0|3,0,0]=4 6067 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,1,0,0,0,0|3,0,0]=4 6068 B12R1.252 CC(O)CNCc1cccnn1 2230a_100000210904_100016990269 [0,1,0,0,0,0|2,0,0]=3 6069 B12R1.252 CC(O)CNCc1cccnn1 2230a_100159270163_100011218427 [0,1,0,0,0,0|2,0,0]=3 6070 B12R1.252 CC(O)CNCc1cccnn1 34a_100000210904_100016990269 [0,1,0,0,0,0|2,0,0]=3 6071 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,1,0,0,0,0|3,0,0]=4 6072 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,1,0,0,0,0|3,0,0]=4 6073 B12R1.252 CC(O)CNCc1cnccn1 2230a_100000210904_100016995436 [0,1,0,0,0,0|2,0,0]=3 6074 B12R1.252 CC(O)CNCc1cnccn1 270004a_100000210904_100000749867 [0,1,0,0,0,0|2,0,0]=3 6075 B12R1.252 CC(O)CNCc1cnccn1 34a_100000210904_100016995436 [0,1,0,0,0,0|2,0,0]=3 6076 B12R1.252 CC(O)CNCc1ncccn1 2230a_100000210904_100000703007 [0,1,0,0,0,0|2,0,0]=3 6077 B12R1.252 CC(O)CNCc1ncccn1 270004a_100000210904_100011532527 [0,1,0,0,0,0|2,0,0]=3 6078 B12R1.252 CC(O)CNCc1ncccn1 34a_100000210904_100000703007 [0,1,0,0,0,0|2,0,0]=3 6079 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,1,0,0,0,0|2,0,0]=3 6080 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,1,0,0,0,0|2,0,0]=3 6081 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,1,0,0,0,0|2,0,0]=3 6082 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,1,0,0,0,0|2,0,0]=3 6083 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,1,0,0,0,0|1,0,0]=2 6084 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,1,0,0,0,0|1,0,0]=2 6085 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,1,0,0,0,0|3,0,0]=4 6086 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,1,0,0,0,0|3,0,0]=4 6087 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,1,0,0,0,0|2,0,0]=3 6088 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,1,0,0,0,0|2,0,0]=3 6089 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,1,0,0,0,0|3,0,0]=4 6090 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,1,0,0,0,0|3,0,0]=4 6091 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,1,0,0,0,0|2,0,0]=3 6092 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,1,0,0,0,0|2,0,0]=3 6093 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,1,0,0,0,0|2,0,0]=3 6094 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,1,0,0,0,0|2,0,0]=3 6095 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,1,0,0,0,0|2,0,0]=3 6096 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,1,0,0,0,0|2,0,0]=3 6097 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,1,0,0,0,0|2,0,0]=3 6098 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,1,0,0,0,0|2,0,0]=3 6099 B12R1.252 CN(C)CCNc1cccnn1 27a_100000210585_100016991348 [0,1,0,0,0,0|3,0,0]=4 6100 B12R1.252 CN(C)CCNc1ccncn1 27a_100000210585_100000703185 [0,1,0,0,0,0|3,0,0]=4 6101 B12R1.252 CN(C)CCNc1cnccn1 27a_100000210585_100000211759 [0,1,0,0,0,0|3,0,0]=4 6102 B12R1.252 CN(C)CCNc1ncccn1 27a_100000210585_100000211032 [0,1,0,0,0,0|3,0,0]=4 6103 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,1,0,0,0,0|3,0,0]=4 6104 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,1,0,0,0,0|3,0,0]=4 6105 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,1,0,0,0,0|3,0,0]=4 6106 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,1,0,0,0,0|3,0,0]=4 6107 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,1,0,0,0,0|3,0,0]=4 6108 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,1,0,0,0,0|3,0,0]=4 6109 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,1,0,0,0,0|3,0,0]=4 6110 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,1,0,0,0,0|3,0,0]=4 6111 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,1,0,0,0,0|3,0,0]=4 6112 B12R1.252 CN(C)CCSc1ccccn1 62a_100011216584_100000755713 [0,1,0,0,0,0|2,0,0]=3 6113 B12R1.252 CN(C)CCSc1cccnn1 62a_100016991348_100000755713 [0,1,0,0,0,0|3,0,0]=4 6114 B12R1.252 CN(C)CCSc1ccncn1 62a_100000703185_100000755713 [0,1,0,0,0,0|3,0,0]=4 6115 B12R1.252 CN(C)CCSc1cnccn1 62a_100000211759_100000755713 [0,1,0,0,0,0|3,0,0]=4 6116 B12R1.252 CN(C)CCSc1ncccn1 62a_100000211032_100000755713 [0,1,0,0,0,0|3,0,0]=4 6117 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,1,0,0,0,0|3,0,0]=4 6118 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,1,0,0,0,0|3,0,0]=4 6119 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,1,0,0,0,0|3,0,0]=4 6120 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,1,0,0,0,0|2,0,0]=3 6121 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,1,0,0,0,0|2,0,0]=3 6122 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,1,0,0,0,0|3,0,0]=4 6123 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,1,0,0,0,0|3,0,0]=4 6124 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,1,0,0,0,0|2,0,0]=3 6125 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,1,0,0,0,0|1,0,0]=2 6126 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [0,1,0,0,0,0|3,0,0]=4 6127 B12R1.252 C[C@@H](Cl)COCc1cccnn1 34a_100016084084_100016990269 [0,1,0,0,0,0|2,0,0]=3 6128 B12R1.252 C[C@@H](Cl)COCc1cnccn1 34a_100016084084_100016995436 [0,1,0,0,0,0|2,0,0]=3 6129 B12R1.252 C[C@@H](Cl)COCc1ncccn1 34a_100016084084_100000703007 [0,1,0,0,0,0|2,0,0]=3 6130 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,1,0,0,0,0|2,0,0]=3 6131 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,1,0,0,0,0|1,0,0]=2 6132 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,1,0,0,0,0|3,0,0]=4 6133 B12R1.252 C[C@@H](N)COCc1cccnn1 34a_100000737577_100016990269 [0,1,0,0,0,0|2,0,0]=3 6134 B12R1.252 C[C@@H](N)COCc1cnccn1 34a_100000737577_100016995436 [0,1,0,0,0,0|2,0,0]=3 6135 B12R1.252 C[C@@H](N)COCc1ncccn1 34a_100000737577_100000703007 [0,1,0,0,0,0|2,0,0]=3 6136 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,1,0,0,0,0|2,0,0]=3 6137 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,1,0,0,0,0|2,0,0]=3 6138 B12R1.252 C[C@@H](O)CNCc1cccnn1 2230a_100159270163_100009817552 [0,1,0,0,0,0|2,0,0]=3 6139 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,1,0,0,0,0|2,0,0]=3 6140 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,1,0,0,0,0|2,0,0]=3 6141 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,1,0,0,0,0|2,0,0]=3 6142 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,1,0,0,0,0|2,0,0]=3 6143 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,1,0,0,0,0|1,0,0]=2 6144 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,1,0,0,0,0|1,0,0]=2 6145 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,1,0,0,0,0|3,0,0]=4 6146 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,1,0,0,0,0|3,0,0]=4 6147 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,1,0,0,0,0|2,0,0]=3 6148 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,1,0,0,0,0|2,0,0]=3 6149 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,1,0,0,0,0|3,0,0]=4 6150 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,1,0,0,0,0|3,0,0]=4 6151 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,1,0,0,0,0|2,0,0]=3 6152 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,1,0,0,0,0|2,0,0]=3 6153 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,1,0,0,0,0|2,0,0]=3 6154 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,1,0,0,0,0|2,0,0]=3 6155 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,1,0,0,0,0|3,0,0]=4 6156 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,1,0,0,0,0|3,0,0]=4 6157 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,1,0,0,0,0|3,0,0]=4 6158 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,1,0,0,0,0|3,0,0]=4 6159 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,1,0,0,0,0|3,0,0]=4 6160 B12R1.252 FC(F)CNCc1ccccn1 207a_100000765723_100000209966 [0,1,0,0,0,0|2,0,0]=3 6161 B12R1.252 FC(F)CNCc1ccccn1 270004a_100000765723_100000209966 [0,1,0,0,0,0|2,0,0]=3 6162 B12R1.252 FC(F)CNCc1ccccn1 34a_100000765723_100000721315 [0,1,0,0,0,0|2,0,0]=3 6163 B12R1.252 FC(F)CNCc1cccnn1 2230a_100159270163_100011934356 [0,1,0,0,0,0|3,0,0]=4 6164 B12R1.252 FC(F)CNCc1cccnn1 34a_100000765723_100016990269 [0,1,0,0,0,0|3,0,0]=4 6165 B12R1.252 FC(F)CNCc1cnccn1 270004a_100000765723_100000749867 [0,1,0,0,0,0|3,0,0]=4 6166 B12R1.252 FC(F)CNCc1cnccn1 34a_100000765723_100016995436 [0,1,0,0,0,0|3,0,0]=4 6167 B12R1.252 FC(F)CNCc1ncccn1 270004a_100000765723_100011532527 [0,1,0,0,0,0|3,0,0]=4 6168 B12R1.252 FC(F)CNCc1ncccn1 34a_100000765723_100000703007 [0,1,0,0,0,0|3,0,0]=4 6169 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,1,0,0,0,0|3,0,0]=4 6170 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,1,0,0,0,0|3,0,0]=4 6171 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,1,0,0,0,0|3,0,0]=4 6172 B12R1.252 FC(F)COCc1ccccn1 34a_100000743014_100000721315 [0,1,0,0,0,0|2,0,0]=3 6173 B12R1.252 FC(F)COCc1cccnn1 34a_100000743014_100016990269 [0,1,0,0,0,0|3,0,0]=4 6174 B12R1.252 FC(F)COCc1cnccn1 34a_100000743014_100016995436 [0,1,0,0,0,0|3,0,0]=4 6175 B12R1.252 FC(F)COCc1ncccn1 34a_100000743014_100000703007 [0,1,0,0,0,0|3,0,0]=4 6176 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [0,1,0,0,0,0|3,0,0]=4 6177 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [0,1,0,0,0,0|3,0,0]=4 6178 B12R1.252 FC(F)CSCc1ccccn1 62a_100000721315_100011934356 [0,1,0,0,0,0|2,0,0]=3 6179 B12R1.252 FC(F)CSCc1ccccn1 62a_100011934356_100000721315 [0,1,0,0,0,0|2,0,0]=3 6180 B12R1.252 FC(F)CSCc1cccnn1 62a_100011934356_100016990269 [0,1,0,0,0,0|3,0,0]=4 6181 B12R1.252 FC(F)CSCc1cccnn1 62a_100016990269_100011934356 [0,1,0,0,0,0|3,0,0]=4 6182 B12R1.252 FC(F)CSCc1cnccn1 62a_100011934356_100016995436 [0,1,0,0,0,0|3,0,0]=4 6183 B12R1.252 FC(F)CSCc1cnccn1 62a_100016995436_100011934356 [0,1,0,0,0,0|3,0,0]=4 6184 B12R1.252 FC(F)CSCc1ncccn1 62a_100000703007_100011934356 [0,1,0,0,0,0|3,0,0]=4 6185 B12R1.252 FC(F)CSCc1ncccn1 62a_100011934356_100000703007 [0,1,0,0,0,0|3,0,0]=4 6186 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,1,0,0,0,0|2,0,1]=4 6187 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,1,0,0,0,0|2,0,1]=4 6188 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,1,0,0,0,0|2,0,1]=4 6189 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,1,0,0,0,0|2,0,1]=4 6190 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,1,0,0,0,0|2,0,1]=4 6191 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,1,0,0,0,0|2,0,1]=4 6192 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,1,0,0,0,0|2,0,1]=4 6193 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,1,0,0,0,0|2,0,1]=4 6194 B12R1.252 O=[N+]([O-])CSCc1ccccn1 62a_100000721315_100000761209 [0,1,0,0,0,0|3,0,0]=4 6195 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,1,0,0,0,0|1,0,1]=3 6196 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,1,0,0,0,0|0,0,1]=2 6197 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,1,0,0,0,0|2,0,1]=4 6198 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,1,0,0,0,0|2,0,1]=4 6199 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,1,0,0,0,0|2,0,1]=4 6200 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,1,0,0,0,0|2,0,1]=4 6201 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,1,0,0,0,0|2,0,1]=4 6202 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,1,0,0,0,0|1,0,1]=3 6203 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [0,1,0,0,0,0|3,0,0]=4 6204 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [0,1,0,0,0,0|3,0,0]=4 6205 B12R1.267 BrCCOCc1ncccc1Br 34a_100000211926_100025702911 [0,1,0,0,0,0|2,0,0]=3 6206 B12R1.267 C#CCCNc1ncccc1Br 27a_100000755551_100000696092 [0,1,0,0,0,0|1,0,2]=4 6207 B12R1.267 C#CCCOc1ncccc1Cl 34a_100011290957_100000688953 [0,1,0,0,0,0|1,0,2]=4 6208 B12R1.267 C#CCCOc1ncccc1F 34a_100011219419_100000688953 [0,1,0,0,0,0|1,0,2]=4 6209 B12R1.267 C#CCCOc1ncccc1N 34a_100000746358_100000688953 [0,1,0,0,0,0|1,0,2]=4 6210 B12R1.267 C#CCCSc1ncccc1Br 62a_100000688953_100000696092 [0,1,0,0,0,0|1,0,2]=4 6211 B12R1.267 C#CCCSc1ncccc1Br 62a_100000696092_100000688953 [0,1,0,0,0,0|1,0,2]=4 6212 B12R1.267 C#CCCSc1ncccc1C 62a_100000688953_100000751373 [0,1,0,0,0,0|1,0,2]=4 6213 B12R1.267 C#CCCSc1ncccc1C 62a_100000751373_100000688953 [0,1,0,0,0,0|1,0,2]=4 6214 B12R1.267 C#CCCSc1ncccc1Cl 62a_100000688953_100011356963 [0,1,0,0,0,0|1,0,2]=4 6215 B12R1.267 C#CCCSc1ncccc1Cl 62a_100011356963_100000688953 [0,1,0,0,0,0|1,0,2]=4 6216 B12R1.267 C#CCCSc1ncccc1F 62a_100000685392_100000688953 [0,1,0,0,0,0|1,0,2]=4 6217 B12R1.267 C#CCCSc1ncccc1F 62a_100000688953_100000685392 [0,1,0,0,0,0|1,0,2]=4 6218 B12R1.267 C#CCCSc1ncccc1N 62a_100000688686_100000688953 [0,1,0,0,0,0|1,0,2]=4 6219 B12R1.267 C#CCCSc1ncccc1N 62a_100000688953_100000688686 [0,1,0,0,0,0|1,0,2]=4 6220 B12R1.267 C#CCCSc1ncccc1O 62a_100000034122_100000688953 [0,1,0,0,0,0|1,0,2]=4 6221 B12R1.267 C#CCCSc1ncccc1O 62a_100000688953_100000034122 [0,1,0,0,0,0|1,0,2]=4 6222 B12R1.267 C#CCNCc1ncccc1Br 34a_100000212058_100025702911 [0,1,0,0,0,0|1,0,2]=4 6223 B12R1.267 C#CCNCc1ncccc1C 34a_100000212058_100000696600 [0,1,0,0,0,0|1,0,2]=4 6224 B12R1.267 C#CCNCc1ncccc1C 34a_100011223789_100000184674 [0,1,0,0,0,0|1,0,2]=4 6225 B12R1.267 C#CCNCc1ncccc1Cl 2230a_100015189233_100000038162 [0,1,0,0,0,0|1,0,2]=4 6226 B12R1.267 C#CCNCc1ncccc1F 34a_100000212058_100000104219 [0,1,0,0,0,0|1,0,2]=4 6227 B12R1.267 C#CCNCc1ncccc1F 34a_100000690088_100000184674 [0,1,0,0,0,0|1,0,2]=4 6228 B12R1.267 C#CCNCc1ncccc1O 34a_100000212058_200020655725 [0,1,0,0,0,0|1,0,2]=4 6229 B12R1.267 C#CCOCc1ncccc1Br 34a_100000210247_100025702911 [0,1,0,0,0,0|1,0,2]=4 6230 B12R1.267 C#CCOCc1ncccc1Br 34a_100011996772_100000184674 [0,1,0,0,0,0|1,0,2]=4 6231 B12R1.267 C#CCOCc1ncccc1C 34a_100000210247_100000696600 [0,1,0,0,0,0|1,0,2]=4 6232 B12R1.267 C#CCOCc1ncccc1C 34a_100000698912_100000184674 [0,1,0,0,0,0|1,0,2]=4 6233 B12R1.267 C#CCOCc1ncccc1Cl 34a_100012002383_100000184674 [0,1,0,0,0,0|1,0,2]=4 6234 B12R1.267 C#CCOCc1ncccc1F 34a_100000210247_100000104219 [0,1,0,0,0,0|1,0,2]=4 6235 B12R1.267 C#CCOCc1ncccc1F 34a_100011934865_100000184674 [0,1,0,0,0,0|1,0,2]=4 6236 B12R1.267 C#CCOCc1ncccc1N 34a_114873767017_100000184674 [0,1,0,0,0,0|1,0,2]=4 6237 B12R1.267 C#CCOCc1ncccc1O 34a_100000210247_200020655725 [0,1,0,0,0,0|1,0,2]=4 6238 B12R1.267 C#CCSCc1ncccc1Br 62a_100000038162_100025702911 [0,1,0,0,0,0|1,0,2]=4 6239 B12R1.267 C#CCSCc1ncccc1C 62a_100000038162_100000696600 [0,1,0,0,0,0|1,0,2]=4 6240 B12R1.267 C#CCSCc1ncccc1Cl 62a_100000038162_100000099807 [0,1,0,0,0,0|1,0,2]=4 6241 B12R1.267 C#CCSCc1ncccc1F 62a_100000038162_100000104219 [0,1,0,0,0,0|1,0,2]=4 6242 B12R1.267 C#CCSCc1ncccc1O 62a_100000038162_200020655725 [0,1,0,0,0,0|1,0,2]=4 6243 B12R1.267 C/C=C/COc1ncccc1Cl 34a_100011290957_100102629194 [0,1,0,0,0,0|1,0,2]=4 6244 B12R1.267 C/C=C/COc1ncccc1F 34a_100011219419_100102629194 [0,1,0,0,0,0|1,0,2]=4 6245 B12R1.267 C/C=C/COc1ncccc1N 34a_100000746358_100102629194 [0,1,0,0,0,0|1,0,2]=4 6246 B12R1.267 C/C=C/CSc1ncccc1Br 62a_100000696092_100102629194 [0,1,0,0,0,0|1,0,2]=4 6247 B12R1.267 C/C=C/CSc1ncccc1Br 62a_100102629194_100000696092 [0,1,0,0,0,0|1,0,2]=4 6248 B12R1.267 C/C=C/CSc1ncccc1C 62a_100000751373_100102629194 [0,1,0,0,0,0|1,0,2]=4 6249 B12R1.267 C/C=C/CSc1ncccc1C 62a_100102629194_100000751373 [0,1,0,0,0,0|1,0,2]=4 6250 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100011356963_100102629194 [0,1,0,0,0,0|1,0,2]=4 6251 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100102629194_100011356963 [0,1,0,0,0,0|1,0,2]=4 6252 B12R1.267 C/C=C/CSc1ncccc1F 62a_100000685392_100102629194 [0,1,0,0,0,0|1,0,2]=4 6253 B12R1.267 C/C=C/CSc1ncccc1F 62a_100102629194_100000685392 [0,1,0,0,0,0|1,0,2]=4 6254 B12R1.267 C/C=C/CSc1ncccc1N 62a_100000688686_100102629194 [0,1,0,0,0,0|1,0,2]=4 6255 B12R1.267 C/C=C/CSc1ncccc1N 62a_100102629194_100000688686 [0,1,0,0,0,0|1,0,2]=4 6256 B12R1.267 C/C=C/CSc1ncccc1O 62a_100000034122_100102629194 [0,1,0,0,0,0|1,0,2]=4 6257 B12R1.267 C/C=C/CSc1ncccc1O 62a_100102629194_100000034122 [0,1,0,0,0,0|1,0,2]=4 6258 B12R1.267 C=CCCNc1ncccc1Br 27a_100015191253_100000696092 [0,1,0,0,0,0|1,0,2]=4 6259 B12R1.267 C=CCCOc1ncccc1Cl 34a_100011290957_100000754431 [0,1,0,0,0,0|1,0,2]=4 6260 B12R1.267 C=CCCOc1ncccc1F 34a_100011219419_100000754431 [0,1,0,0,0,0|1,0,2]=4 6261 B12R1.267 C=CCCOc1ncccc1N 34a_100000746358_100000754431 [0,1,0,0,0,0|1,0,2]=4 6262 B12R1.267 C=CCCSc1ncccc1Br 62a_100000696092_100000754431 [0,1,0,0,0,0|1,0,2]=4 6263 B12R1.267 C=CCCSc1ncccc1Br 62a_100000754431_100000696092 [0,1,0,0,0,0|1,0,2]=4 6264 B12R1.267 C=CCCSc1ncccc1C 62a_100000751373_100000754431 [0,1,0,0,0,0|1,0,2]=4 6265 B12R1.267 C=CCCSc1ncccc1C 62a_100000754431_100000751373 [0,1,0,0,0,0|1,0,2]=4 6266 B12R1.267 C=CCCSc1ncccc1Cl 62a_100000754431_100011356963 [0,1,0,0,0,0|1,0,2]=4 6267 B12R1.267 C=CCCSc1ncccc1Cl 62a_100011356963_100000754431 [0,1,0,0,0,0|1,0,2]=4 6268 B12R1.267 C=CCCSc1ncccc1F 62a_100000685392_100000754431 [0,1,0,0,0,0|1,0,2]=4 6269 B12R1.267 C=CCCSc1ncccc1F 62a_100000754431_100000685392 [0,1,0,0,0,0|1,0,2]=4 6270 B12R1.267 C=CCCSc1ncccc1N 62a_100000688686_100000754431 [0,1,0,0,0,0|1,0,2]=4 6271 B12R1.267 C=CCCSc1ncccc1N 62a_100000754431_100000688686 [0,1,0,0,0,0|1,0,2]=4 6272 B12R1.267 C=CCCSc1ncccc1O 62a_100000034122_100000754431 [0,1,0,0,0,0|1,0,2]=4 6273 B12R1.267 C=CCCSc1ncccc1O 62a_100000754431_100000034122 [0,1,0,0,0,0|1,0,2]=4 6274 B12R1.267 C=CCNCc1ncccc1Br 2230a_100020586998_100025702911 [0,1,0,0,0,0|1,0,2]=4 6275 B12R1.267 C=CCNCc1ncccc1Br 270004a_100020586998_100011934733 [0,1,0,0,0,0|1,0,2]=4 6276 B12R1.267 C=CCNCc1ncccc1C 2230a_100020586998_100000696600 [0,1,0,0,0,0|1,0,2]=4 6277 B12R1.267 C=CCNCc1ncccc1C 270004a_100020586998_100000698913 [0,1,0,0,0,0|1,0,2]=4 6278 B12R1.267 C=CCNCc1ncccc1C 34a_100011223789_100015514636 [0,1,0,0,0,0|1,0,2]=4 6279 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100015189233_100000210623 [0,1,0,0,0,0|1,0,2]=4 6280 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100020586998_100000099807 [0,1,0,0,0,0|1,0,2]=4 6281 B12R1.267 C=CCNCc1ncccc1Cl 270004a_100020586998_100012001307 [0,1,0,0,0,0|1,0,2]=4 6282 B12R1.267 C=CCNCc1ncccc1F 2230a_100020586998_100000104219 [0,1,0,0,0,0|1,0,2]=4 6283 B12R1.267 C=CCNCc1ncccc1F 270004a_100020586998_100011934734 [0,1,0,0,0,0|1,0,2]=4 6284 B12R1.267 C=CCNCc1ncccc1F 34a_100000690088_100015514636 [0,1,0,0,0,0|1,0,2]=4 6285 B12R1.267 C=CCOCc1ncccc1Br 34a_100011996772_100015514636 [0,1,0,0,0,0|1,0,2]=4 6286 B12R1.267 C=CCOCc1ncccc1Br 34a_200000210373_100025702911 [0,1,0,0,0,0|1,0,2]=4 6287 B12R1.267 C=CCOCc1ncccc1C 34a_100000698912_100015514636 [0,1,0,0,0,0|1,0,2]=4 6288 B12R1.267 C=CCOCc1ncccc1C 34a_200000210373_100000696600 [0,1,0,0,0,0|1,0,2]=4 6289 B12R1.267 C=CCOCc1ncccc1Cl 34a_100012002383_100015514636 [0,1,0,0,0,0|1,0,2]=4 6290 B12R1.267 C=CCOCc1ncccc1F 34a_100011934865_100015514636 [0,1,0,0,0,0|1,0,2]=4 6291 B12R1.267 C=CCOCc1ncccc1F 34a_200000210373_100000104219 [0,1,0,0,0,0|1,0,2]=4 6292 B12R1.267 C=CCOCc1ncccc1N 34a_114873767017_100015514636 [0,1,0,0,0,0|1,0,2]=4 6293 B12R1.267 C=CCOCc1ncccc1O 34a_200000210373_200020655725 [0,1,0,0,0,0|1,0,2]=4 6294 B12R1.267 C=CCSCc1ncccc1Br 62a_100000210623_100025702911 [0,1,0,0,0,0|1,0,2]=4 6295 B12R1.267 C=CCSCc1ncccc1Br 62a_100025702911_100000210623 [0,1,0,0,0,0|1,0,2]=4 6296 B12R1.267 C=CCSCc1ncccc1C 62a_100000210623_100000696600 [0,1,0,0,0,0|1,0,2]=4 6297 B12R1.267 C=CCSCc1ncccc1C 62a_100000696600_100000210623 [0,1,0,0,0,0|1,0,2]=4 6298 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000099807_100000210623 [0,1,0,0,0,0|1,0,2]=4 6299 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000210623_100000099807 [0,1,0,0,0,0|1,0,2]=4 6300 B12R1.267 C=CCSCc1ncccc1F 62a_100000104219_100000210623 [0,1,0,0,0,0|1,0,2]=4 6301 B12R1.267 C=CCSCc1ncccc1F 62a_100000210623_100000104219 [0,1,0,0,0,0|1,0,2]=4 6302 B12R1.267 C=CCSCc1ncccc1O 62a_100000210623_200020655725 [0,1,0,0,0,0|1,0,2]=4 6303 B12R1.267 C=CCSCc1ncccc1O 62a_200020655725_100000210623 [0,1,0,0,0,0|1,0,2]=4 6304 B12R1.267 CC#CCNc1ncccc1Br 27a_100000685387_100000696092 [0,1,0,0,0,0|1,0,2]=4 6305 B12R1.267 CC#CCOc1ncccc1Cl 34a_100011290957_100000748600 [0,1,0,0,0,0|1,0,2]=4 6306 B12R1.267 CC#CCOc1ncccc1F 34a_100011219419_100000748600 [0,1,0,0,0,0|1,0,2]=4 6307 B12R1.267 CC#CCOc1ncccc1N 34a_100000746358_100000748600 [0,1,0,0,0,0|1,0,2]=4 6308 B12R1.267 CC#CCSc1ncccc1Br 62a_100000696092_100000748600 [0,1,0,0,0,0|1,0,2]=4 6309 B12R1.267 CC#CCSc1ncccc1Br 62a_100000748600_100000696092 [0,1,0,0,0,0|1,0,2]=4 6310 B12R1.267 CC#CCSc1ncccc1C 62a_100000748600_100000751373 [0,1,0,0,0,0|1,0,2]=4 6311 B12R1.267 CC#CCSc1ncccc1C 62a_100000751373_100000748600 [0,1,0,0,0,0|1,0,2]=4 6312 B12R1.267 CC#CCSc1ncccc1Cl 62a_100000748600_100011356963 [0,1,0,0,0,0|1,0,2]=4 6313 B12R1.267 CC#CCSc1ncccc1Cl 62a_100011356963_100000748600 [0,1,0,0,0,0|1,0,2]=4 6314 B12R1.267 CC#CCSc1ncccc1F 62a_100000685392_100000748600 [0,1,0,0,0,0|1,0,2]=4 6315 B12R1.267 CC#CCSc1ncccc1F 62a_100000748600_100000685392 [0,1,0,0,0,0|1,0,2]=4 6316 B12R1.267 CC#CCSc1ncccc1N 62a_100000688686_100000748600 [0,1,0,0,0,0|1,0,2]=4 6317 B12R1.267 CC#CCSc1ncccc1N 62a_100000748600_100000688686 [0,1,0,0,0,0|1,0,2]=4 6318 B12R1.267 CC#CCSc1ncccc1O 62a_100000034122_100000748600 [0,1,0,0,0,0|1,0,2]=4 6319 B12R1.267 CC#CCSc1ncccc1O 62a_100000748600_100000034122 [0,1,0,0,0,0|1,0,2]=4 6320 B12R1.267 CC=CCOc1ncccc1Cl 34a_100011290957_100000070051 [0,1,0,0,0,0|1,0,2]=4 6321 B12R1.267 CC=CCOc1ncccc1F 34a_100011219419_100000070051 [0,1,0,0,0,0|1,0,2]=4 6322 B12R1.267 CC=CCOc1ncccc1N 34a_100000746358_100000070051 [0,1,0,0,0,0|1,0,2]=4 6323 B12R1.267 CC=CCSc1ncccc1Br 62a_100000070051_100000696092 [0,1,0,0,0,0|1,0,2]=4 6324 B12R1.267 CC=CCSc1ncccc1Br 62a_100000696092_100000070051 [0,1,0,0,0,0|1,0,2]=4 6325 B12R1.267 CC=CCSc1ncccc1C 62a_100000070051_100000751373 [0,1,0,0,0,0|1,0,2]=4 6326 B12R1.267 CC=CCSc1ncccc1C 62a_100000751373_100000070051 [0,1,0,0,0,0|1,0,2]=4 6327 B12R1.267 CC=CCSc1ncccc1Cl 62a_100000070051_100011356963 [0,1,0,0,0,0|1,0,2]=4 6328 B12R1.267 CC=CCSc1ncccc1Cl 62a_100011356963_100000070051 [0,1,0,0,0,0|1,0,2]=4 6329 B12R1.267 CC=CCSc1ncccc1F 62a_100000070051_100000685392 [0,1,0,0,0,0|1,0,2]=4 6330 B12R1.267 CC=CCSc1ncccc1F 62a_100000685392_100000070051 [0,1,0,0,0,0|1,0,2]=4 6331 B12R1.267 CC=CCSc1ncccc1N 62a_100000070051_100000688686 [0,1,0,0,0,0|1,0,2]=4 6332 B12R1.267 CC=CCSc1ncccc1N 62a_100000688686_100000070051 [0,1,0,0,0,0|1,0,2]=4 6333 B12R1.267 CC=CCSc1ncccc1O 62a_100000034122_100000070051 [0,1,0,0,0,0|1,0,2]=4 6334 B12R1.267 CC=CCSc1ncccc1O 62a_100000070051_100000034122 [0,1,0,0,0,0|1,0,2]=4 6335 B12R1.267 CCC=NNc1ncccc1Br 4a_100011464834_100000210100 [0,1,0,0,0,0|2,0,1]=4 6336 B12R1.267 CCC=NNc1ncccc1C 4a_100000708268_100000210100 [0,1,0,0,0,0|2,0,1]=4 6337 B12R1.267 CCC=NNc1ncccc1Cl 4a_100000741667_100000210100 [0,1,0,0,0,0|2,0,1]=4 6338 B12R1.267 CCC=NNc1ncccc1F 4a_100000717775_100000210100 [0,1,0,0,0,0|2,0,1]=4 6339 B12R1.267 CCC=NNc1ncccc1I 4a_100010221029_100000210100 [0,1,0,0,0,0|2,0,1]=4 6340 B12R1.267 CCCC=Cc1cccc[n+]1C 271570a_100016258520_100000212160 [0,1,0,0,0,0|0,0,3]=4 6341 B12R1.267 CCCC=Cc1cccc[n+]1[O-] 271570a_100016258520_200000042595 [0,1,0,0,0,0|0,0,3]=4 6342 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [0,1,0,0,0,0|1,0,2]=4 6343 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [0,1,0,0,0,0|1,0,2]=4 6344 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [0,1,0,0,0,0|1,0,2]=4 6345 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [0,1,0,0,0,0|1,0,2]=4 6346 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [0,1,0,0,0,0|1,0,2]=4 6347 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [0,1,0,0,0,0|1,0,2]=4 6348 B12R1.267 CCCC=Cc1ncc[nH]c1=O 271570a_100016258520_100000763361 [0,1,0,0,0,0|1,0,2]=4 6349 B12R1.267 CCCC=Cc1ncccc1Br 271570a_100016258520_100000696092 [0,1,0,0,0,0|0,0,2]=3 6350 B12R1.267 CCCC=Cc1ncccc1C 271570a_100016258520_100000751373 [0,1,0,0,0,0|0,0,2]=3 6351 B12R1.267 CCCC=Cc1ncccc1Cl 271570a_100016258520_100011356963 [0,1,0,0,0,0|0,0,2]=3 6352 B12R1.267 CCCC=Cc1ncccc1F 271570a_100016258520_100000685392 [0,1,0,0,0,0|0,0,2]=3 6353 B12R1.267 CCCC=Cc1ncccc1N 271570a_100016258520_100000688686 [0,1,0,0,0,0|0,0,2]=3 6354 B12R1.267 CCCC=Cc1ncccc1O 271570a_100016258520_100000034122 [0,1,0,0,0,0|0,0,2]=3 6355 B12R1.267 CCCC=Cc1nccnc1C 271570a_100016258520_100011999405 [0,1,0,0,0,0|1,0,2]=4 6356 B12R1.267 CCCC=Cc1nccnc1F 271570a_100016258520_200010125657 [0,1,0,0,0,0|1,0,2]=4 6357 B12R1.267 CCCC=Cc1nccnc1N 271570a_100016258520_100000747729 [0,1,0,0,0,0|1,0,2]=4 6358 B12R1.267 CCCC=Cc1ncncc1C 271570a_100016258520_100011998708 [0,1,0,0,0,0|1,0,2]=4 6359 B12R1.267 CCCC=Cc1ncncc1F 271570a_100016258520_100000069762 [0,1,0,0,0,0|1,0,2]=4 6360 B12R1.267 CCCC=Cc1ncncc1N 271570a_100016258520_100000709731 [0,1,0,0,0,0|1,0,2]=4 6361 B12R1.267 CCCC=Cc1nnccc1C 271570a_100016258520_100000089043 [0,1,0,0,0,0|1,0,2]=4 6362 B12R1.267 CCCCCc1ncncc1O 271570a_203496583355_100009816991 [0,1,0,0,0,0|1,0,0]=2 6363 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,1,0,0,0,0|2,0,0]=3 6364 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,1,0,0,0,0|2,0,0]=3 6365 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,1,0,0,0,0|2,0,0]=3 6366 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,1,0,0,0,0|2,0,0]=3 6367 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,1,0,0,0,0|2,0,0]=3 6368 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,1,0,0,0,0|2,0,0]=3 6369 B12R1.267 CCCCNc1ccncc1Br 27a_100000102301_100000726257 [0,1,0,0,0,0|3,0,0]=4 6370 B12R1.267 CCCCNc1ccncc1C 27a_100000102301_100000765111 [0,1,0,0,0,0|3,0,0]=4 6371 B12R1.267 CCCCNc1ccncc1F 27a_100000102301_100000035921 [0,1,0,0,0,0|3,0,0]=4 6372 B12R1.267 CCCCNc1ncccc1Br 27a_100000102301_100000696092 [0,1,0,0,0,0|1,0,0]=2 6373 B12R1.267 CCCCNc1nccnc1C 27a_100000102301_100011999405 [0,1,0,0,0,0|2,0,0]=3 6374 B12R1.267 CCCCNc1nccnc1F 27a_100000102301_200010125657 [0,1,0,0,0,0|2,0,0]=3 6375 B12R1.267 CCCCNc1ncncc1C 27a_100000102301_100011998708 [0,1,0,0,0,0|2,0,0]=3 6376 B12R1.267 CCCCNc1ncncc1F 27a_100000102301_100000069762 [0,1,0,0,0,0|2,0,0]=3 6377 B12R1.267 CCCCNc1ncncc1N 27a_100000102301_100000709731 [0,1,0,0,0,0|2,0,0]=3 6378 B12R1.267 CCCCNc1nnccc1C 27a_100000102301_100000089043 [0,1,0,0,0,0|2,0,0]=3 6379 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [0,1,0,0,0,0|1,0,1]=3 6380 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,1,0,0,0,0|2,0,0]=3 6381 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,1,0,0,0,0|2,0,0]=3 6382 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,1,0,0,0,0|2,0,0]=3 6383 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,1,0,0,0,0|2,0,0]=3 6384 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,1,0,0,0,0|2,0,0]=3 6385 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,1,0,0,0,0|2,0,0]=3 6386 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,1,0,0,0,0|2,0,0]=3 6387 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,1,0,0,0,0|2,0,0]=3 6388 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,1,0,0,0,0|2,0,0]=3 6389 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,1,0,0,0,0|2,0,0]=3 6390 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,1,0,0,0,0|2,0,0]=3 6391 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,1,0,0,0,0|2,0,0]=3 6392 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,1,0,0,0,0|2,0,0]=3 6393 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [0,1,0,0,0,0|3,0,0]=4 6394 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [0,1,0,0,0,0|3,0,0]=4 6395 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [0,1,0,0,0,0|3,0,0]=4 6396 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [0,1,0,0,0,0|3,0,0]=4 6397 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [0,1,0,0,0,0|3,0,0]=4 6398 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [0,1,0,0,0,0|3,0,0]=4 6399 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [0,1,0,0,0,0|3,0,0]=4 6400 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [0,1,0,0,0,0|3,0,0]=4 6401 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [0,1,0,0,0,0|3,0,0]=4 6402 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [0,1,0,0,0,0|3,0,0]=4 6403 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [0,1,0,0,0,0|3,0,0]=4 6404 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [0,1,0,0,0,0|3,0,0]=4 6405 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,1,0,0,0,0|3,0,0]=4 6406 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,1,0,0,0,0|3,0,0]=4 6407 B12R1.267 CCCCOc1ccncc1Br 34a_100011996408_100000210210 [0,1,0,0,0,0|3,0,0]=4 6408 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [0,1,0,0,0,0|3,0,0]=4 6409 B12R1.267 CCCCOc1ccncc1Cl 34a_100011997054_100000210210 [0,1,0,0,0,0|3,0,0]=4 6410 B12R1.267 CCCCOc1ccncc1F 34a_200000081243_100000210210 [0,1,0,0,0,0|3,0,0]=4 6411 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [0,1,0,0,0,0|3,0,0]=4 6412 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [0,1,0,0,0,0|3,0,0]=4 6413 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [0,1,0,0,0,0|3,0,0]=4 6414 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [0,1,0,0,0,0|3,0,0]=4 6415 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [0,1,0,0,0,0|3,0,0]=4 6416 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [0,1,0,0,0,0|3,0,0]=4 6417 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [0,1,0,0,0,0|1,0,0]=2 6418 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [0,1,0,0,0,0|1,0,0]=2 6419 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [0,1,0,0,0,0|1,0,0]=2 6420 B12R1.267 CCCCOc1nccnc1C 34a_100000766352_100000210210 [0,1,0,0,0,0|2,0,0]=3 6421 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100000210211_100009998708 [0,1,0,0,0,0|3,0,0]=4 6422 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100009998708_100000210210 [0,1,0,0,0,0|3,0,0]=4 6423 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_100000210211_200012280681 [0,1,0,0,0,0|3,0,0]=4 6424 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_200012280681_100000210210 [0,1,0,0,0,0|3,0,0]=4 6425 B12R1.267 CCCCSc1cccc[n+]1C 62a_100000210211_100000212160 [0,1,0,0,0,0|1,0,1]=3 6426 B12R1.267 CCCCSc1cccc[n+]1[O-] 62a_100000210211_200000042595 [0,1,0,0,0,0|1,0,1]=3 6427 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,1,0,0,0,0|2,0,0]=3 6428 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,1,0,0,0,0|2,0,0]=3 6429 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,1,0,0,0,0|2,0,0]=3 6430 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,1,0,0,0,0|2,0,0]=3 6431 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,1,0,0,0,0|2,0,0]=3 6432 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,1,0,0,0,0|2,0,0]=3 6433 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,1,0,0,0,0|2,0,0]=3 6434 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,1,0,0,0,0|2,0,0]=3 6435 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,1,0,0,0,0|2,0,0]=3 6436 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,1,0,0,0,0|2,0,0]=3 6437 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,1,0,0,0,0|2,0,0]=3 6438 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,1,0,0,0,0|2,0,0]=3 6439 B12R1.267 CCCCSc1cccnc1Br 62a_100000210211_100010202626 [0,1,0,0,0,0|3,0,0]=4 6440 B12R1.267 CCCCSc1cccnc1Br 62a_100010202626_100000210210 [0,1,0,0,0,0|3,0,0]=4 6441 B12R1.267 CCCCSc1cccnc1C 62a_100000210211_100000751574 [0,1,0,0,0,0|3,0,0]=4 6442 B12R1.267 CCCCSc1cccnc1C 62a_100000751574_100000210210 [0,1,0,0,0,0|3,0,0]=4 6443 B12R1.267 CCCCSc1cccnc1Cl 62a_100000036424_100000210210 [0,1,0,0,0,0|3,0,0]=4 6444 B12R1.267 CCCCSc1cccnc1Cl 62a_100000210211_100000036424 [0,1,0,0,0,0|3,0,0]=4 6445 B12R1.267 CCCCSc1cccnc1F 62a_100000210211_100009816115 [0,1,0,0,0,0|3,0,0]=4 6446 B12R1.267 CCCCSc1cccnc1F 62a_100009816115_100000210210 [0,1,0,0,0,0|3,0,0]=4 6447 B12R1.267 CCCCSc1cccnc1N 62a_100000045569_100000210210 [0,1,0,0,0,0|3,0,0]=4 6448 B12R1.267 CCCCSc1cccnc1N 62a_100000210211_100000045569 [0,1,0,0,0,0|3,0,0]=4 6449 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [0,1,0,0,0,0|3,0,0]=4 6450 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [0,1,0,0,0,0|3,0,0]=4 6451 B12R1.267 CCCCSc1ccncc1Br 62a_100000210211_100000726257 [0,1,0,0,0,0|3,0,0]=4 6452 B12R1.267 CCCCSc1ccncc1Br 62a_100000726257_100000210210 [0,1,0,0,0,0|3,0,0]=4 6453 B12R1.267 CCCCSc1ccncc1C 62a_100000210211_100000765111 [0,1,0,0,0,0|3,0,0]=4 6454 B12R1.267 CCCCSc1ccncc1C 62a_100000765111_100000210210 [0,1,0,0,0,0|3,0,0]=4 6455 B12R1.267 CCCCSc1ccncc1Cl 62a_100000210211_100000708259 [0,1,0,0,0,0|3,0,0]=4 6456 B12R1.267 CCCCSc1ccncc1Cl 62a_100000708259_100000210210 [0,1,0,0,0,0|3,0,0]=4 6457 B12R1.267 CCCCSc1ccncc1F 62a_100000047030_100000210210 [0,1,0,0,0,0|3,0,0]=4 6458 B12R1.267 CCCCSc1ccncc1F 62a_100000210211_100000047030 [0,1,0,0,0,0|3,0,0]=4 6459 B12R1.267 CCCCSc1ccncc1N 62a_100000210211_100000756074 [0,1,0,0,0,0|3,0,0]=4 6460 B12R1.267 CCCCSc1ccncc1N 62a_100000756074_100000210210 [0,1,0,0,0,0|3,0,0]=4 6461 B12R1.267 CCCCSc1ccncc1O 62a_100000210211_100009817591 [0,1,0,0,0,0|3,0,0]=4 6462 B12R1.267 CCCCSc1ccncc1O 62a_100009817591_100000210210 [0,1,0,0,0,0|3,0,0]=4 6463 B12R1.267 CCCCSc1cnccc1Br 62a_100000210211_100010138639 [0,1,0,0,0,0|3,0,0]=4 6464 B12R1.267 CCCCSc1cnccc1Br 62a_100010138639_100000210210 [0,1,0,0,0,0|3,0,0]=4 6465 B12R1.267 CCCCSc1cnccc1C 62a_100000210211_100000761580 [0,1,0,0,0,0|3,0,0]=4 6466 B12R1.267 CCCCSc1cnccc1C 62a_100000761580_100000210210 [0,1,0,0,0,0|3,0,0]=4 6467 B12R1.267 CCCCSc1cnccc1Cl 62a_100000210211_100009995489 [0,1,0,0,0,0|3,0,0]=4 6468 B12R1.267 CCCCSc1cnccc1Cl 62a_100009995489_100000210210 [0,1,0,0,0,0|3,0,0]=4 6469 B12R1.267 CCCCSc1cnccc1F 62a_100000210211_100009820683 [0,1,0,0,0,0|3,0,0]=4 6470 B12R1.267 CCCCSc1cnccc1F 62a_100009820683_100000210210 [0,1,0,0,0,0|3,0,0]=4 6471 B12R1.267 CCCCSc1cnccc1N 62a_100000047001_100000210210 [0,1,0,0,0,0|3,0,0]=4 6472 B12R1.267 CCCCSc1cnccc1N 62a_100000210211_100000047001 [0,1,0,0,0,0|3,0,0]=4 6473 B12R1.267 CCCCSc1ncc[nH]c1=O 62a_100000210211_100000763361 [0,1,0,0,0,0|2,0,0]=3 6474 B12R1.267 CCCCSc1ncccc1Br 62a_100000210211_100000696092 [0,1,0,0,0,0|1,0,0]=2 6475 B12R1.267 CCCCSc1ncccc1Br 62a_100000696092_100000210210 [0,1,0,0,0,0|1,0,0]=2 6476 B12R1.267 CCCCSc1ncccc1C 62a_100000210211_100000751373 [0,1,0,0,0,0|1,0,0]=2 6477 B12R1.267 CCCCSc1ncccc1C 62a_100000751373_100000210210 [0,1,0,0,0,0|1,0,0]=2 6478 B12R1.267 CCCCSc1ncccc1Cl 62a_100000210211_100011356963 [0,1,0,0,0,0|1,0,0]=2 6479 B12R1.267 CCCCSc1ncccc1Cl 62a_100011356963_100000210210 [0,1,0,0,0,0|1,0,0]=2 6480 B12R1.267 CCCCSc1ncccc1F 62a_100000210211_100000685392 [0,1,0,0,0,0|1,0,0]=2 6481 B12R1.267 CCCCSc1ncccc1F 62a_100000685392_100000210210 [0,1,0,0,0,0|1,0,0]=2 6482 B12R1.267 CCCCSc1ncccc1N 62a_100000210211_100000688686 [0,1,0,0,0,0|1,0,0]=2 6483 B12R1.267 CCCCSc1ncccc1N 62a_100000688686_100000210210 [0,1,0,0,0,0|1,0,0]=2 6484 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,1,0,0,0,0|1,0,0]=2 6485 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,1,0,0,0,0|1,0,0]=2 6486 B12R1.267 CCCCSc1nccnc1C 62a_100000210211_100011999405 [0,1,0,0,0,0|2,0,0]=3 6487 B12R1.267 CCCCSc1nccnc1C 62a_100011999405_100000210210 [0,1,0,0,0,0|2,0,0]=3 6488 B12R1.267 CCCCSc1nccnc1Cl 62a_100000210211_100010886584 [0,1,0,0,0,0|2,0,0]=3 6489 B12R1.267 CCCCSc1nccnc1Cl 62a_100010886584_100000210210 [0,1,0,0,0,0|2,0,0]=3 6490 B12R1.267 CCCCSc1nccnc1F 62a_100000210211_200010125657 [0,1,0,0,0,0|2,0,0]=3 6491 B12R1.267 CCCCSc1nccnc1F 62a_200010125657_100000210210 [0,1,0,0,0,0|2,0,0]=3 6492 B12R1.267 CCCCSc1nccnc1N 62a_100000210211_100000747729 [0,1,0,0,0,0|2,0,0]=3 6493 B12R1.267 CCCCSc1nccnc1N 62a_100000747729_100000210210 [0,1,0,0,0,0|2,0,0]=3 6494 B12R1.267 CCCCSc1ncncc1C 62a_100000210211_100011998708 [0,1,0,0,0,0|2,0,0]=3 6495 B12R1.267 CCCCSc1ncncc1C 62a_100011998708_100000210210 [0,1,0,0,0,0|2,0,0]=3 6496 B12R1.267 CCCCSc1ncncc1F 62a_100000069762_100000210210 [0,1,0,0,0,0|2,0,0]=3 6497 B12R1.267 CCCCSc1ncncc1F 62a_100000210211_100000069762 [0,1,0,0,0,0|2,0,0]=3 6498 B12R1.267 CCCCSc1ncncc1N 62a_100000210211_100000709731 [0,1,0,0,0,0|2,0,0]=3 6499 B12R1.267 CCCCSc1ncncc1N 62a_100000709731_100000210210 [0,1,0,0,0,0|2,0,0]=3 6500 B12R1.267 CCCCSc1nnccc1C 62a_100000210211_100000089043 [0,1,0,0,0,0|2,0,0]=3 6501 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,1,0,0,0,0|2,0,0]=3 6502 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,1,0,0,0,0|2,0,0]=3 6503 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,1,0,0,0,0|2,0,0]=3 6504 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,1,0,0,0,0|2,0,0]=3 6505 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,1,0,0,0,0|2,0,0]=3 6506 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,1,0,0,0,0|2,0,0]=3 6507 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,1,0,0,0,0|2,0,0]=3 6508 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,1,0,0,0,0|2,0,0]=3 6509 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,1,0,0,0,0|2,0,0]=3 6510 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,1,0,0,0,0|2,0,0]=3 6511 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,1,0,0,0,0|2,0,0]=3 6512 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,1,0,0,0,0|2,0,0]=3 6513 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,1,0,0,0,0|2,0,0]=3 6514 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,1,0,0,0,0|2,0,0]=3 6515 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,1,0,0,0,0|2,0,0]=3 6516 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,1,0,0,0,0|2,0,0]=3 6517 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,1,0,0,0,0|2,0,0]=3 6518 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,1,0,0,0,0|2,0,0]=3 6519 B12R1.267 CCCNCc1cccnc1Br 2230a_100009818023_100000210303 [0,1,0,0,0,0|3,0,0]=4 6520 B12R1.267 CCCNCc1cccnc1Br 34a_100009818023_100000210303 [0,1,0,0,0,0|3,0,0]=4 6521 B12R1.267 CCCNCc1cccnc1C 207a_100020643023_100000751968 [0,1,0,0,0,0|3,0,0]=4 6522 B12R1.267 CCCNCc1cccnc1C 270004a_100020643023_100000751968 [0,1,0,0,0,0|3,0,0]=4 6523 B12R1.267 CCCNCc1cccnc1Cl 2230a_100015189234_100000210303 [0,1,0,0,0,0|3,0,0]=4 6524 B12R1.267 CCCNCc1cccnc1Cl 34a_100015189234_100000210303 [0,1,0,0,0,0|3,0,0]=4 6525 B12R1.267 CCCNCc1cccnc1F 34a_100000724633_100000210303 [0,1,0,0,0,0|3,0,0]=4 6526 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [0,1,0,0,0,0|3,0,0]=4 6527 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [0,1,0,0,0,0|3,0,0]=4 6528 B12R1.267 CCCNCc1ccncc1Br 270004a_100020643023_100000755692 [0,1,0,0,0,0|3,0,0]=4 6529 B12R1.267 CCCNCc1ccncc1Cl 207a_100020643023_100011934409 [0,1,0,0,0,0|3,0,0]=4 6530 B12R1.267 CCCNCc1ccncc1Cl 270004a_100020643023_100011934409 [0,1,0,0,0,0|3,0,0]=4 6531 B12R1.267 CCCNCc1ccncc1F 34a_100011935246_100000210303 [0,1,0,0,0,0|3,0,0]=4 6532 B12R1.267 CCCNCc1cnccc1Br 270004a_100020643023_100009816821 [0,1,0,0,0,0|3,0,0]=4 6533 B12R1.267 CCCNCc1cnccc1C 207a_100020643023_100000685662 [0,1,0,0,0,0|3,0,0]=4 6534 B12R1.267 CCCNCc1cnccc1C 270004a_100020643023_100000685662 [0,1,0,0,0,0|3,0,0]=4 6535 B12R1.267 CCCNCc1cnccc1Cl 270004a_100020643023_100000050567 [0,1,0,0,0,0|3,0,0]=4 6536 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [0,1,0,0,0,0|1,0,0]=2 6537 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [0,1,0,0,0,0|1,0,0]=2 6538 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [0,1,0,0,0,0|1,0,0]=2 6539 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [0,1,0,0,0,0|1,0,0]=2 6540 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [0,1,0,0,0,0|1,0,0]=2 6541 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [0,1,0,0,0,0|1,0,0]=2 6542 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [0,1,0,0,0,0|1,0,0]=2 6543 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [0,1,0,0,0,0|1,0,0]=2 6544 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [0,1,0,0,0,0|1,0,0]=2 6545 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [0,1,0,0,0,0|1,0,0]=2 6546 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [0,1,0,0,0,0|1,0,0]=2 6547 B12R1.267 CCCNCc1nccnc1C 2230a_100020641712_100000210303 [0,1,0,0,0,0|2,0,0]=3 6548 B12R1.267 CCCNCc1nccnc1C 270004a_100020643023_100000050726 [0,1,0,0,0,0|2,0,0]=3 6549 B12R1.267 CCCNCc1nccnc1C 34a_100020641712_100000210303 [0,1,0,0,0,0|2,0,0]=3 6550 B12R1.267 CCCNCc1nccnc1Cl 2230a_100000729963_100000210303 [0,1,0,0,0,0|2,0,0]=3 6551 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,1,0,0,0,0|2,0,0]=3 6552 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,1,0,0,0,0|2,0,0]=3 6553 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,1,0,0,0,0|2,0,0]=3 6554 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,1,0,0,0,0|2,0,0]=3 6555 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,1,0,0,0,0|2,0,0]=3 6556 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,1,0,0,0,0|2,0,0]=3 6557 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,1,0,0,0,0|2,0,0]=3 6558 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,1,0,0,0,0|2,0,0]=3 6559 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,1,0,0,0,0|2,0,0]=3 6560 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,1,0,0,0,0|2,0,0]=3 6561 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,1,0,0,0,0|2,0,0]=3 6562 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,1,0,0,0,0|2,0,0]=3 6563 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,1,0,0,0,0|2,0,0]=3 6564 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,1,0,0,0,0|2,0,0]=3 6565 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,1,0,0,0,0|2,0,0]=3 6566 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,1,0,0,0,0|2,0,0]=3 6567 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [0,1,0,0,0,0|3,0,0]=4 6568 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [0,1,0,0,0,0|3,0,0]=4 6569 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [0,1,0,0,0,0|3,0,0]=4 6570 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [0,1,0,0,0,0|3,0,0]=4 6571 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [0,1,0,0,0,0|3,0,0]=4 6572 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [0,1,0,0,0,0|3,0,0]=4 6573 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [0,1,0,0,0,0|3,0,0]=4 6574 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [0,1,0,0,0,0|3,0,0]=4 6575 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [0,1,0,0,0,0|3,0,0]=4 6576 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [0,1,0,0,0,0|3,0,0]=4 6577 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [0,1,0,0,0,0|3,0,0]=4 6578 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [0,1,0,0,0,0|3,0,0]=4 6579 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [0,1,0,0,0,0|3,0,0]=4 6580 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [0,1,0,0,0,0|3,0,0]=4 6581 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [0,1,0,0,0,0|3,0,0]=4 6582 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [0,1,0,0,0,0|3,0,0]=4 6583 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [0,1,0,0,0,0|3,0,0]=4 6584 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [0,1,0,0,0,0|3,0,0]=4 6585 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [0,1,0,0,0,0|1,0,0]=2 6586 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [0,1,0,0,0,0|1,0,0]=2 6587 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [0,1,0,0,0,0|1,0,0]=2 6588 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [0,1,0,0,0,0|1,0,0]=2 6589 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [0,1,0,0,0,0|1,0,0]=2 6590 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [0,1,0,0,0,0|1,0,0]=2 6591 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [0,1,0,0,0,0|1,0,0]=2 6592 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [0,1,0,0,0,0|1,0,0]=2 6593 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,1,0,0,0,0|1,0,0]=2 6594 B12R1.267 CCCOCc1nccnc1Cl 34a_100000057004_100000210303 [0,1,0,0,0,0|2,0,0]=3 6595 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,1,0,0,0,0|2,0,0]=3 6596 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,1,0,0,0,0|2,0,0]=3 6597 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,1,0,0,0,0|2,0,0]=3 6598 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,1,0,0,0,0|2,0,0]=3 6599 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,1,0,0,0,0|2,0,0]=3 6600 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,1,0,0,0,0|2,0,0]=3 6601 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,1,0,0,0,0|2,0,0]=3 6602 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,1,0,0,0,0|2,0,0]=3 6603 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,1,0,0,0,0|2,0,0]=3 6604 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,1,0,0,0,0|2,0,0]=3 6605 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,1,0,0,0,0|2,0,0]=3 6606 B12R1.267 CCCSCc1cccnc1Br 62a_100000210303_100010140945 [0,1,0,0,0,0|3,0,0]=4 6607 B12R1.267 CCCSCc1cccnc1Br 62a_100010140945_100000210303 [0,1,0,0,0,0|3,0,0]=4 6608 B12R1.267 CCCSCc1cccnc1C 62a_100000210303_100000732876 [0,1,0,0,0,0|3,0,0]=4 6609 B12R1.267 CCCSCc1cccnc1C 62a_100000732876_100000210303 [0,1,0,0,0,0|3,0,0]=4 6610 B12R1.267 CCCSCc1cccnc1Cl 62a_100000045678_100000210303 [0,1,0,0,0,0|3,0,0]=4 6611 B12R1.267 CCCSCc1cccnc1Cl 62a_100000210303_100000045678 [0,1,0,0,0,0|3,0,0]=4 6612 B12R1.267 CCCSCc1cccnc1F 62a_100000099810_100000210303 [0,1,0,0,0,0|3,0,0]=4 6613 B12R1.267 CCCSCc1cccnc1F 62a_100000210303_100000099810 [0,1,0,0,0,0|3,0,0]=4 6614 B12R1.267 CCCSCc1ccncc1C 62a_100000210303_100020672808 [0,1,0,0,0,0|3,0,0]=4 6615 B12R1.267 CCCSCc1ccncc1C 62a_100020672808_100000210303 [0,1,0,0,0,0|3,0,0]=4 6616 B12R1.267 CCCSCc1ccncc1Cl 62a_100000210303_100000763264 [0,1,0,0,0,0|3,0,0]=4 6617 B12R1.267 CCCSCc1ccncc1Cl 62a_100000763264_100000210303 [0,1,0,0,0,0|3,0,0]=4 6618 B12R1.267 CCCSCc1cnccc1C 62a_100000210303_100000690890 [0,1,0,0,0,0|3,0,0]=4 6619 B12R1.267 CCCSCc1cnccc1C 62a_100000690890_100000210303 [0,1,0,0,0,0|3,0,0]=4 6620 B12R1.267 CCCSCc1ncccc1Br 62a_100000210303_100025702911 [0,1,0,0,0,0|1,0,0]=2 6621 B12R1.267 CCCSCc1ncccc1Br 62a_100025702911_100000210303 [0,1,0,0,0,0|1,0,0]=2 6622 B12R1.267 CCCSCc1ncccc1C 62a_100000210303_100000696600 [0,1,0,0,0,0|1,0,0]=2 6623 B12R1.267 CCCSCc1ncccc1C 62a_100000696600_100000210303 [0,1,0,0,0,0|1,0,0]=2 6624 B12R1.267 CCCSCc1ncccc1Cl 62a_100000099807_100000210303 [0,1,0,0,0,0|1,0,0]=2 6625 B12R1.267 CCCSCc1ncccc1Cl 62a_100000210303_100000099807 [0,1,0,0,0,0|1,0,0]=2 6626 B12R1.267 CCCSCc1ncccc1F 62a_100000104219_100000210303 [0,1,0,0,0,0|1,0,0]=2 6627 B12R1.267 CCCSCc1ncccc1F 62a_100000210303_100000104219 [0,1,0,0,0,0|1,0,0]=2 6628 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,1,0,0,0,0|1,0,0]=2 6629 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,1,0,0,0,0|1,0,0]=2 6630 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,1,0,0,0,0|2,0,0]=3 6631 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,1,0,0,0,0|2,0,0]=3 6632 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,1,0,0,0,0|2,0,0]=3 6633 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,1,0,0,0,0|2,0,0]=3 6634 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,1,0,0,0,0|2,0,0]=3 6635 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,1,0,0,0,0|2,0,0]=3 6636 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,1,0,0,0,0|2,0,0]=3 6637 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,1,0,0,0,0|2,0,0]=3 6638 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,1,0,0,0,0|2,0,0]=3 6639 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,1,0,0,0,0|2,0,0]=3 6640 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,1,0,0,0,0|2,0,0]=3 6641 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,1,0,0,0,0|2,0,0]=3 6642 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,1,0,0,0,0|2,0,0]=3 6643 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,1,0,0,0,0|2,0,0]=3 6644 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [0,1,0,0,0,0|3,0,0]=4 6645 B12R1.267 CCNN=Cc1ncccc1Br 4a_100000756455_100011934733 [0,1,0,0,0,0|2,0,1]=4 6646 B12R1.267 CCNN=Cc1ncccc1C 4a_100000756455_100000698913 [0,1,0,0,0,0|2,0,1]=4 6647 B12R1.267 CCNN=Cc1ncccc1Cl 4a_100000756455_100012001307 [0,1,0,0,0,0|2,0,1]=4 6648 B12R1.267 CCNN=Cc1ncccc1F 4a_100000756455_100011934734 [0,1,0,0,0,0|2,0,1]=4 6649 B12R1.267 CCNN=Cc1ncccc1O 4a_100000756455_100000042352 [0,1,0,0,0,0|2,0,1]=4 6650 B12R1.267 CCOC=Cc1ncccc1Br 271570a_100016256518_100000696092 [0,1,0,0,0,0|1,0,2]=4 6651 B12R1.267 CCOC=Cc1ncccc1C 271570a_100016256518_100000751373 [0,1,0,0,0,0|1,0,2]=4 6652 B12R1.267 CCOC=Cc1ncccc1Cl 271570a_100016256518_100011356963 [0,1,0,0,0,0|1,0,2]=4 6653 B12R1.267 CCOC=Cc1ncccc1F 271570a_100016256518_100000685392 [0,1,0,0,0,0|1,0,2]=4 6654 B12R1.267 CCOC=Cc1ncccc1N 271570a_100016256518_100000688686 [0,1,0,0,0,0|1,0,2]=4 6655 B12R1.267 CCOC=Cc1ncccc1O 271570a_100016256518_100000034122 [0,1,0,0,0,0|1,0,2]=4 6656 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,1,0,0,0,0|2,0,0]=3 6657 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,1,0,0,0,0|2,0,0]=3 6658 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,1,0,0,0,0|2,0,0]=3 6659 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,1,0,0,0,0|2,0,0]=3 6660 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,1,0,0,0,0|2,0,0]=3 6661 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,1,0,0,0,0|2,0,0]=3 6662 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,1,0,0,0,0|2,0,0]=3 6663 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,1,0,0,0,0|2,0,0]=3 6664 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,1,0,0,0,0|2,0,0]=3 6665 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,1,0,0,0,0|2,0,0]=3 6666 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,1,0,0,0,0|2,0,0]=3 6667 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,1,0,0,0,0|2,0,0]=3 6668 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,1,0,0,0,0|2,0,0]=3 6669 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,1,0,0,0,0|2,0,0]=3 6670 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,1,0,0,0,0|2,0,0]=3 6671 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,1,0,0,0,0|2,0,0]=3 6672 B12R1.267 CCOCCc1ncccc1C 34a_100011997706_100000210202 [0,1,0,0,0,0|1,0,0]=2 6673 B12R1.267 CCOCCc1ncccc1C 7a_100011997706_100000210202 [0,1,0,0,0,0|1,0,0]=2 6674 B12R1.267 CCOCSc1cccc[n+]1C 62a_100000739092_100000212160 [0,1,0,0,0,0|2,0,1]=4 6675 B12R1.267 CCOCSc1cccc[n+]1[O-] 62a_100000739092_200000042595 [0,1,0,0,0,0|2,0,1]=4 6676 B12R1.267 CCOCSc1ccccc1Br 62a_100000695589_100000739092 [0,1,0,0,0,0|3,0,0]=4 6677 B12R1.267 CCOCSc1ccccc1Br 62a_100000739092_100000695589 [0,1,0,0,0,0|3,0,0]=4 6678 B12R1.267 CCOCSc1ccccc1C 62a_100000210755_100000739092 [0,1,0,0,0,0|3,0,0]=4 6679 B12R1.267 CCOCSc1ccccc1C 62a_100000739092_100000210755 [0,1,0,0,0,0|3,0,0]=4 6680 B12R1.267 CCOCSc1ccccc1Cl 62a_100000739092_100000764095 [0,1,0,0,0,0|3,0,0]=4 6681 B12R1.267 CCOCSc1ccccc1Cl 62a_100000764095_100000739092 [0,1,0,0,0,0|3,0,0]=4 6682 B12R1.267 CCOCSc1ccccc1F 62a_100000739092_100011215700 [0,1,0,0,0,0|3,0,0]=4 6683 B12R1.267 CCOCSc1ccccc1F 62a_100011215700_100000739092 [0,1,0,0,0,0|3,0,0]=4 6684 B12R1.267 CCOCSc1ccccc1N 62a_100000210017_100000739092 [0,1,0,0,0,0|3,0,0]=4 6685 B12R1.267 CCOCSc1ccccc1N 62a_100000739092_100000210017 [0,1,0,0,0,0|3,0,0]=4 6686 B12R1.267 CCOCSc1ccccc1O 62a_100000739092_100000739446 [0,1,0,0,0,0|3,0,0]=4 6687 B12R1.267 CCOCSc1ccccc1O 62a_100000739446_100000739092 [0,1,0,0,0,0|3,0,0]=4 6688 B12R1.267 CCOCSc1ncc[nH]c1=O 62a_100000739092_100000763361 [0,1,0,0,0,0|3,0,0]=4 6689 B12R1.267 CCOCSc1ncccc1Br 62a_100000696092_100000739092 [0,1,0,0,0,0|2,0,0]=3 6690 B12R1.267 CCOCSc1ncccc1Br 62a_100000739092_100000696092 [0,1,0,0,0,0|2,0,0]=3 6691 B12R1.267 CCOCSc1ncccc1C 62a_100000739092_100000751373 [0,1,0,0,0,0|2,0,0]=3 6692 B12R1.267 CCOCSc1ncccc1C 62a_100000751373_100000739092 [0,1,0,0,0,0|2,0,0]=3 6693 B12R1.267 CCOCSc1ncccc1Cl 62a_100000739092_100011356963 [0,1,0,0,0,0|2,0,0]=3 6694 B12R1.267 CCOCSc1ncccc1Cl 62a_100011356963_100000739092 [0,1,0,0,0,0|2,0,0]=3 6695 B12R1.267 CCOCSc1ncccc1F 62a_100000685392_100000739092 [0,1,0,0,0,0|2,0,0]=3 6696 B12R1.267 CCOCSc1ncccc1F 62a_100000739092_100000685392 [0,1,0,0,0,0|2,0,0]=3 6697 B12R1.267 CCOCSc1ncccc1N 62a_100000688686_100000739092 [0,1,0,0,0,0|2,0,0]=3 6698 B12R1.267 CCOCSc1ncccc1N 62a_100000739092_100000688686 [0,1,0,0,0,0|2,0,0]=3 6699 B12R1.267 CCOCSc1ncccc1O 62a_100000034122_100000739092 [0,1,0,0,0,0|2,0,0]=3 6700 B12R1.267 CCOCSc1ncccc1O 62a_100000739092_100000034122 [0,1,0,0,0,0|2,0,0]=3 6701 B12R1.267 CCOCSc1nccnc1C 62a_100000739092_100011999405 [0,1,0,0,0,0|3,0,0]=4 6702 B12R1.267 CCOCSc1nccnc1C 62a_100011999405_100000739092 [0,1,0,0,0,0|3,0,0]=4 6703 B12R1.267 CCOCSc1nccnc1Cl 62a_100000739092_100010886584 [0,1,0,0,0,0|3,0,0]=4 6704 B12R1.267 CCOCSc1nccnc1Cl 62a_100010886584_100000739092 [0,1,0,0,0,0|3,0,0]=4 6705 B12R1.267 CCOCSc1nccnc1F 62a_100000739092_200010125657 [0,1,0,0,0,0|3,0,0]=4 6706 B12R1.267 CCOCSc1nccnc1F 62a_200010125657_100000739092 [0,1,0,0,0,0|3,0,0]=4 6707 B12R1.267 CCOCSc1nccnc1N 62a_100000739092_100000747729 [0,1,0,0,0,0|3,0,0]=4 6708 B12R1.267 CCOCSc1nccnc1N 62a_100000747729_100000739092 [0,1,0,0,0,0|3,0,0]=4 6709 B12R1.267 CCOCSc1ncncc1C 62a_100000739092_100011998708 [0,1,0,0,0,0|3,0,0]=4 6710 B12R1.267 CCOCSc1ncncc1C 62a_100011998708_100000739092 [0,1,0,0,0,0|3,0,0]=4 6711 B12R1.267 CCOCSc1ncncc1F 62a_100000069762_100000739092 [0,1,0,0,0,0|3,0,0]=4 6712 B12R1.267 CCOCSc1ncncc1F 62a_100000739092_100000069762 [0,1,0,0,0,0|3,0,0]=4 6713 B12R1.267 CCOCSc1ncncc1N 62a_100000709731_100000739092 [0,1,0,0,0,0|3,0,0]=4 6714 B12R1.267 CCOCSc1ncncc1N 62a_100000739092_100000709731 [0,1,0,0,0,0|3,0,0]=4 6715 B12R1.267 CCOCSc1nnccc1C 62a_100000739092_100000089043 [0,1,0,0,0,0|3,0,0]=4 6716 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,1,0,0,0,0|2,0,0]=3 6717 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,1,0,0,0,0|2,0,0]=3 6718 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,1,0,0,0,0|2,0,0]=3 6719 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,1,0,0,0,0|2,0,0]=3 6720 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,1,0,0,0,0|2,0,0]=3 6721 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,1,0,0,0,0|2,0,0]=3 6722 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,1,0,0,0,0|2,0,0]=3 6723 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,1,0,0,0,0|2,0,0]=3 6724 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,1,0,0,0,0|2,0,0]=3 6725 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,1,0,0,0,0|2,0,0]=3 6726 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,1,0,0,0,0|2,0,0]=3 6727 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,1,0,0,0,0|2,0,0]=3 6728 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,1,0,0,0,0|2,0,0]=3 6729 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,1,0,0,0,0|2,0,0]=3 6730 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,1,0,0,0,0|2,0,0]=3 6731 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,1,0,0,0,0|3,0,0]=4 6732 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,1,0,0,0,0|3,0,0]=4 6733 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,1,0,0,0,0|3,0,0]=4 6734 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,1,0,0,0,0|3,0,0]=4 6735 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,1,0,0,0,0|3,0,0]=4 6736 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,1,0,0,0,0|3,0,0]=4 6737 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,1,0,0,0,0|3,0,0]=4 6738 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,1,0,0,0,0|3,0,0]=4 6739 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,1,0,0,0,0|3,0,0]=4 6740 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,1,0,0,0,0|3,0,0]=4 6741 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,1,0,0,0,0|3,0,0]=4 6742 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,1,0,0,0,0|3,0,0]=4 6743 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,1,0,0,0,0|3,0,0]=4 6744 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,1,0,0,0,0|3,0,0]=4 6745 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,1,0,0,0,0|3,0,0]=4 6746 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,1,0,0,0,0|3,0,0]=4 6747 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,1,0,0,0,0|3,0,0]=4 6748 B12R1.267 COCC=Cc1ncccc1Br 271570a_100016286323_100000696092 [0,1,0,0,0,0|1,0,2]=4 6749 B12R1.267 COCC=Cc1ncccc1C 271570a_100016286323_100000751373 [0,1,0,0,0,0|1,0,2]=4 6750 B12R1.267 COCC=Cc1ncccc1Cl 271570a_100016286323_100011356963 [0,1,0,0,0,0|1,0,2]=4 6751 B12R1.267 COCC=Cc1ncccc1F 271570a_100016286323_100000685392 [0,1,0,0,0,0|1,0,2]=4 6752 B12R1.267 COCC=Cc1ncccc1N 271570a_100016286323_100000688686 [0,1,0,0,0,0|1,0,2]=4 6753 B12R1.267 COCC=Cc1ncccc1O 271570a_100016286323_100000034122 [0,1,0,0,0,0|1,0,2]=4 6754 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,1,0,0,0,0|2,0,0]=3 6755 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,1,0,0,0,0|2,0,0]=3 6756 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,1,0,0,0,0|2,0,0]=3 6757 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,1,0,0,0,0|2,0,0]=3 6758 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,1,0,0,0,0|2,0,0]=3 6759 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,1,0,0,0,0|2,0,0]=3 6760 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,1,0,0,0,0|2,0,0]=3 6761 B12R1.267 COCCNc1ccccc1Br 34a_100000210017_100011201679 [0,1,0,0,0,0|3,0,0]=4 6762 B12R1.267 COCCNc1ccccc1C 34a_100011233185_200000210301 [0,1,0,0,0,0|3,0,0]=4 6763 B12R1.267 COCCNc1ccccc1C 34a_100015192222_100011201679 [0,1,0,0,0,0|3,0,0]=4 6764 B12R1.267 COCCNc1ccccc1Cl 34a_100000185783_100011201679 [0,1,0,0,0,0|3,0,0]=4 6765 B12R1.267 COCCNc1ccccc1F 34a_100000210422_100011201679 [0,1,0,0,0,0|3,0,0]=4 6766 B12R1.267 COCCNc1ccccc1I 34a_100000210053_100011201679 [0,1,0,0,0,0|3,0,0]=4 6767 B12R1.267 COCCNc1ccccc1N 34a_100000683943_200000210301 [0,1,0,0,0,0|3,0,0]=4 6768 B12R1.267 COCCNc1ccccc1O 34a_100000185747_100011201679 [0,1,0,0,0,0|3,0,0]=4 6769 B12R1.267 COCCNc1ncccc1Br 27a_100000209980_100000696092 [0,1,0,0,0,0|2,0,0]=3 6770 B12R1.267 COCCNc1nccnc1C 27a_100000209980_100011999405 [0,1,0,0,0,0|3,0,0]=4 6771 B12R1.267 COCCNc1nccnc1F 27a_100000209980_200010125657 [0,1,0,0,0,0|3,0,0]=4 6772 B12R1.267 COCCNc1ncncc1C 27a_100000209980_100011998708 [0,1,0,0,0,0|3,0,0]=4 6773 B12R1.267 COCCNc1ncncc1F 27a_100000209980_100000069762 [0,1,0,0,0,0|3,0,0]=4 6774 B12R1.267 COCCNc1ncncc1N 27a_100000209980_100000709731 [0,1,0,0,0,0|3,0,0]=4 6775 B12R1.267 COCCNc1nnccc1C 27a_100000209980_100000089043 [0,1,0,0,0,0|3,0,0]=4 6776 B12R1.267 COCCOc1cccc[n+]1[O-] 7a_100000211761_100000233755 [0,1,0,0,0,0|2,0,1]=4 6777 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,1,0,0,0,0|3,0,0]=4 6778 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,1,0,0,0,0|3,0,0]=4 6779 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,1,0,0,0,0|3,0,0]=4 6780 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,1,0,0,0,0|3,0,0]=4 6781 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,1,0,0,0,0|3,0,0]=4 6782 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,1,0,0,0,0|3,0,0]=4 6783 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,1,0,0,0,0|3,0,0]=4 6784 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,1,0,0,0,0|3,0,0]=4 6785 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,1,0,0,0,0|3,0,0]=4 6786 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,1,0,0,0,0|3,0,0]=4 6787 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,1,0,0,0,0|3,0,0]=4 6788 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,1,0,0,0,0|3,0,0]=4 6789 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,1,0,0,0,0|3,0,0]=4 6790 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,1,0,0,0,0|3,0,0]=4 6791 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,1,0,0,0,0|3,0,0]=4 6792 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,1,0,0,0,0|3,0,0]=4 6793 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,1,0,0,0,0|3,0,0]=4 6794 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,1,0,0,0,0|3,0,0]=4 6795 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,1,0,0,0,0|3,0,0]=4 6796 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,1,0,0,0,0|3,0,0]=4 6797 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,1,0,0,0,0|3,0,0]=4 6798 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,1,0,0,0,0|3,0,0]=4 6799 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,1,0,0,0,0|3,0,0]=4 6800 B12R1.267 COCCOc1ncccc1Cl 34a_100011290957_100011201679 [0,1,0,0,0,0|2,0,0]=3 6801 B12R1.267 COCCOc1ncccc1F 34a_100011219419_100011201679 [0,1,0,0,0,0|2,0,0]=3 6802 B12R1.267 COCCOc1ncccc1N 34a_100000746358_100011201679 [0,1,0,0,0,0|2,0,0]=3 6803 B12R1.267 COCCOc1ncccc1O 271570a_203496583355_100000754258 [0,1,0,0,0,0|2,0,0]=3 6804 B12R1.267 COCCOc1nccnc1C 34a_100000766352_100011201679 [0,1,0,0,0,0|3,0,0]=4 6805 B12R1.267 COCCSc1cccc[n+]1C 62a_100000233755_100000212160 [0,1,0,0,0,0|2,0,1]=4 6806 B12R1.267 COCCSc1cccc[n+]1[O-] 62a_100000233755_200000042595 [0,1,0,0,0,0|2,0,1]=4 6807 B12R1.267 COCCSc1ccccc1Br 34a_200000230852_200000210301 [0,1,0,0,0,0|3,0,0]=4 6808 B12R1.267 COCCSc1ccccc1Br 62a_100000233755_100000695589 [0,1,0,0,0,0|3,0,0]=4 6809 B12R1.267 COCCSc1ccccc1Br 62a_100000695589_100000233755 [0,1,0,0,0,0|3,0,0]=4 6810 B12R1.267 COCCSc1ccccc1Br 7a_200000230852_200000210301 [0,1,0,0,0,0|3,0,0]=4 6811 B12R1.267 COCCSc1ccccc1C 62a_100000210755_100000233755 [0,1,0,0,0,0|3,0,0]=4 6812 B12R1.267 COCCSc1ccccc1C 62a_100000233755_100000210755 [0,1,0,0,0,0|3,0,0]=4 6813 B12R1.267 COCCSc1ccccc1Cl 34a_200000230572_200000210301 [0,1,0,0,0,0|3,0,0]=4 6814 B12R1.267 COCCSc1ccccc1Cl 62a_100000233755_100000764095 [0,1,0,0,0,0|3,0,0]=4 6815 B12R1.267 COCCSc1ccccc1Cl 62a_100000764095_100000233755 [0,1,0,0,0,0|3,0,0]=4 6816 B12R1.267 COCCSc1ccccc1Cl 7a_200000230572_200000210301 [0,1,0,0,0,0|3,0,0]=4 6817 B12R1.267 COCCSc1ccccc1F 34a_200000230732_200000210301 [0,1,0,0,0,0|3,0,0]=4 6818 B12R1.267 COCCSc1ccccc1F 62a_100000233755_100011215700 [0,1,0,0,0,0|3,0,0]=4 6819 B12R1.267 COCCSc1ccccc1F 62a_100011215700_100000233755 [0,1,0,0,0,0|3,0,0]=4 6820 B12R1.267 COCCSc1ccccc1F 7a_200000230732_200000210301 [0,1,0,0,0,0|3,0,0]=4 6821 B12R1.267 COCCSc1ccccc1N 62a_100000210017_100000233755 [0,1,0,0,0,0|3,0,0]=4 6822 B12R1.267 COCCSc1ccccc1N 62a_100000233755_100000210017 [0,1,0,0,0,0|3,0,0]=4 6823 B12R1.267 COCCSc1ccccc1O 271570a_203496583355_200016336083 [0,1,0,0,0,0|3,0,0]=4 6824 B12R1.267 COCCSc1ccccc1O 62a_100000233755_100000739446 [0,1,0,0,0,0|3,0,0]=4 6825 B12R1.267 COCCSc1ccccc1O 62a_100000739446_100000233755 [0,1,0,0,0,0|3,0,0]=4 6826 B12R1.267 COCCSc1ncc[nH]c1=O 62a_100000233755_100000763361 [0,1,0,0,0,0|3,0,0]=4 6827 B12R1.267 COCCSc1ncccc1Br 62a_100000233755_100000696092 [0,1,0,0,0,0|2,0,0]=3 6828 B12R1.267 COCCSc1ncccc1Br 62a_100000696092_100000233755 [0,1,0,0,0,0|2,0,0]=3 6829 B12R1.267 COCCSc1ncccc1C 62a_100000233755_100000751373 [0,1,0,0,0,0|2,0,0]=3 6830 B12R1.267 COCCSc1ncccc1C 62a_100000751373_100000233755 [0,1,0,0,0,0|2,0,0]=3 6831 B12R1.267 COCCSc1ncccc1Cl 62a_100000233755_100011356963 [0,1,0,0,0,0|2,0,0]=3 6832 B12R1.267 COCCSc1ncccc1Cl 62a_100011356963_100000233755 [0,1,0,0,0,0|2,0,0]=3 6833 B12R1.267 COCCSc1ncccc1F 62a_100000233755_100000685392 [0,1,0,0,0,0|2,0,0]=3 6834 B12R1.267 COCCSc1ncccc1F 62a_100000685392_100000233755 [0,1,0,0,0,0|2,0,0]=3 6835 B12R1.267 COCCSc1ncccc1N 62a_100000233755_100000688686 [0,1,0,0,0,0|2,0,0]=3 6836 B12R1.267 COCCSc1ncccc1N 62a_100000688686_100000233755 [0,1,0,0,0,0|2,0,0]=3 6837 B12R1.267 COCCSc1ncccc1O 62a_100000034122_100000233755 [0,1,0,0,0,0|2,0,0]=3 6838 B12R1.267 COCCSc1ncccc1O 62a_100000233755_100000034122 [0,1,0,0,0,0|2,0,0]=3 6839 B12R1.267 COCCSc1nccnc1C 62a_100000233755_100011999405 [0,1,0,0,0,0|3,0,0]=4 6840 B12R1.267 COCCSc1nccnc1C 62a_100011999405_100000233755 [0,1,0,0,0,0|3,0,0]=4 6841 B12R1.267 COCCSc1nccnc1Cl 62a_100000233755_100010886584 [0,1,0,0,0,0|3,0,0]=4 6842 B12R1.267 COCCSc1nccnc1Cl 62a_100010886584_100000233755 [0,1,0,0,0,0|3,0,0]=4 6843 B12R1.267 COCCSc1nccnc1F 62a_100000233755_200010125657 [0,1,0,0,0,0|3,0,0]=4 6844 B12R1.267 COCCSc1nccnc1F 62a_200010125657_100000233755 [0,1,0,0,0,0|3,0,0]=4 6845 B12R1.267 COCCSc1nccnc1N 62a_100000233755_100000747729 [0,1,0,0,0,0|3,0,0]=4 6846 B12R1.267 COCCSc1nccnc1N 62a_100000747729_100000233755 [0,1,0,0,0,0|3,0,0]=4 6847 B12R1.267 COCCSc1ncncc1C 62a_100000233755_100011998708 [0,1,0,0,0,0|3,0,0]=4 6848 B12R1.267 COCCSc1ncncc1C 62a_100011998708_100000233755 [0,1,0,0,0,0|3,0,0]=4 6849 B12R1.267 COCCSc1ncncc1F 62a_100000069762_100000233755 [0,1,0,0,0,0|3,0,0]=4 6850 B12R1.267 COCCSc1ncncc1F 62a_100000233755_100000069762 [0,1,0,0,0,0|3,0,0]=4 6851 B12R1.267 COCCSc1ncncc1N 62a_100000233755_100000709731 [0,1,0,0,0,0|3,0,0]=4 6852 B12R1.267 COCCSc1ncncc1N 62a_100000709731_100000233755 [0,1,0,0,0,0|3,0,0]=4 6853 B12R1.267 COCCSc1nnccc1C 62a_100000233755_100000089043 [0,1,0,0,0,0|3,0,0]=4 6854 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,1,0,0,0,0|3,0,0]=4 6855 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,1,0,0,0,0|3,0,0]=4 6856 B12R1.267 COCNCc1ncccc1Cl 2230a_100015189233_100000766300 [0,1,0,0,0,0|2,0,0]=3 6857 B12R1.267 COCNCc1nccnc1C 2230a_100020641712_100000766300 [0,1,0,0,0,0|3,0,0]=4 6858 B12R1.267 COCNCc1nccnc1Cl 2230a_100000729963_100000766300 [0,1,0,0,0,0|3,0,0]=4 6859 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [0,1,0,0,0,0|3,0,0]=4 6860 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [0,1,0,0,0,0|3,0,0]=4 6861 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [0,1,0,0,0,0|3,0,0]=4 6862 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [0,1,0,0,0,0|3,0,0]=4 6863 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [0,1,0,0,0,0|3,0,0]=4 6864 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [0,1,0,0,0,0|3,0,0]=4 6865 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [0,1,0,0,0,0|3,0,0]=4 6866 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [0,1,0,0,0,0|3,0,0]=4 6867 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [0,1,0,0,0,0|3,0,0]=4 6868 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [0,1,0,0,0,0|3,0,0]=4 6869 B12R1.267 COCSCc1ncccc1Br 62a_100000766300_100025702911 [0,1,0,0,0,0|2,0,0]=3 6870 B12R1.267 COCSCc1ncccc1Br 62a_100025702911_100000766300 [0,1,0,0,0,0|2,0,0]=3 6871 B12R1.267 COCSCc1ncccc1C 62a_100000696600_100000766300 [0,1,0,0,0,0|2,0,0]=3 6872 B12R1.267 COCSCc1ncccc1C 62a_100000766300_100000696600 [0,1,0,0,0,0|2,0,0]=3 6873 B12R1.267 COCSCc1ncccc1Cl 62a_100000099807_100000766300 [0,1,0,0,0,0|2,0,0]=3 6874 B12R1.267 COCSCc1ncccc1Cl 62a_100000766300_100000099807 [0,1,0,0,0,0|2,0,0]=3 6875 B12R1.267 COCSCc1ncccc1F 62a_100000104219_100000766300 [0,1,0,0,0,0|2,0,0]=3 6876 B12R1.267 COCSCc1ncccc1F 62a_100000766300_100000104219 [0,1,0,0,0,0|2,0,0]=3 6877 B12R1.267 COCSCc1ncccc1O 62a_100000766300_200020655725 [0,1,0,0,0,0|2,0,0]=3 6878 B12R1.267 COCSCc1ncccc1O 62a_200020655725_100000766300 [0,1,0,0,0,0|2,0,0]=3 6879 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,1,0,0,0,0|2,0,0]=3 6880 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,1,0,0,0,0|2,0,0]=3 6881 B12R1.267 CSCCNc1ccccc1Br 34a_100000210017_100000212216 [0,1,0,0,0,0|3,0,0]=4 6882 B12R1.267 CSCCNc1ccccc1C 34a_100015192222_100000212216 [0,1,0,0,0,0|3,0,0]=4 6883 B12R1.267 CSCCNc1ccccc1Cl 34a_100000185783_100000212216 [0,1,0,0,0,0|3,0,0]=4 6884 B12R1.267 CSCCNc1ccccc1F 34a_100000210422_100000212216 [0,1,0,0,0,0|3,0,0]=4 6885 B12R1.267 CSCCNc1ccccc1I 34a_100000210053_100000212216 [0,1,0,0,0,0|3,0,0]=4 6886 B12R1.267 CSCCNc1ccccc1O 34a_100000185747_100000212216 [0,1,0,0,0,0|3,0,0]=4 6887 B12R1.267 CSCCNc1ncccc1Br 27a_100020590264_100000696092 [0,1,0,0,0,0|2,0,0]=3 6888 B12R1.267 CSCCNc1nccnc1C 27a_100020590264_100011999405 [0,1,0,0,0,0|3,0,0]=4 6889 B12R1.267 CSCCNc1nccnc1F 27a_100020590264_200010125657 [0,1,0,0,0,0|3,0,0]=4 6890 B12R1.267 CSCCNc1ncncc1C 27a_100020590264_100011998708 [0,1,0,0,0,0|3,0,0]=4 6891 B12R1.267 CSCCNc1ncncc1F 27a_100020590264_100000069762 [0,1,0,0,0,0|3,0,0]=4 6892 B12R1.267 CSCCNc1ncncc1N 27a_100020590264_100000709731 [0,1,0,0,0,0|3,0,0]=4 6893 B12R1.267 CSCCNc1nnccc1C 27a_100020590264_100000089043 [0,1,0,0,0,0|3,0,0]=4 6894 B12R1.267 CSCCOc1cccc[n+]1[O-] 7a_100000211761_100000212216 [0,1,0,0,0,0|2,0,1]=4 6895 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,1,0,0,0,0|3,0,0]=4 6896 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,1,0,0,0,0|3,0,0]=4 6897 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,1,0,0,0,0|3,0,0]=4 6898 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,1,0,0,0,0|3,0,0]=4 6899 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,1,0,0,0,0|3,0,0]=4 6900 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,1,0,0,0,0|3,0,0]=4 6901 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,1,0,0,0,0|3,0,0]=4 6902 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,1,0,0,0,0|3,0,0]=4 6903 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,1,0,0,0,0|3,0,0]=4 6904 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,1,0,0,0,0|3,0,0]=4 6905 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,1,0,0,0,0|3,0,0]=4 6906 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,1,0,0,0,0|3,0,0]=4 6907 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,1,0,0,0,0|3,0,0]=4 6908 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,1,0,0,0,0|3,0,0]=4 6909 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,1,0,0,0,0|3,0,0]=4 6910 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,1,0,0,0,0|3,0,0]=4 6911 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,1,0,0,0,0|3,0,0]=4 6912 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,1,0,0,0,0|3,0,0]=4 6913 B12R1.267 CSCCOc1ncccc1Cl 34a_100011290957_100000212216 [0,1,0,0,0,0|2,0,0]=3 6914 B12R1.267 CSCCOc1ncccc1F 34a_100011219419_100000212216 [0,1,0,0,0,0|2,0,0]=3 6915 B12R1.267 CSCCOc1ncccc1N 34a_100000746358_100000212216 [0,1,0,0,0,0|2,0,0]=3 6916 B12R1.267 CSCCOc1nccnc1C 34a_100000766352_100000212216 [0,1,0,0,0,0|3,0,0]=4 6917 B12R1.267 CSCCSc1cccc[n+]1C 62a_100000212216_100000212160 [0,1,0,0,0,0|2,0,1]=4 6918 B12R1.267 CSCCSc1cccc[n+]1[O-] 62a_100000212216_200000042595 [0,1,0,0,0,0|2,0,1]=4 6919 B12R1.267 CSCCSc1ccccc1Br 62a_100000212216_100000695589 [0,1,0,0,0,0|3,0,0]=4 6920 B12R1.267 CSCCSc1ccccc1Br 62a_100000695589_100000751147 [0,1,0,0,0,0|3,0,0]=4 6921 B12R1.267 CSCCSc1ccccc1C 62a_100000210755_100000751147 [0,1,0,0,0,0|3,0,0]=4 6922 B12R1.267 CSCCSc1ccccc1C 62a_100000212216_100000210755 [0,1,0,0,0,0|3,0,0]=4 6923 B12R1.267 CSCCSc1ccccc1Cl 62a_100000212216_100000764095 [0,1,0,0,0,0|3,0,0]=4 6924 B12R1.267 CSCCSc1ccccc1Cl 62a_100000764095_100000751147 [0,1,0,0,0,0|3,0,0]=4 6925 B12R1.267 CSCCSc1ccccc1F 62a_100000212216_100011215700 [0,1,0,0,0,0|3,0,0]=4 6926 B12R1.267 CSCCSc1ccccc1F 62a_100011215700_100000751147 [0,1,0,0,0,0|3,0,0]=4 6927 B12R1.267 CSCCSc1ccccc1N 62a_100000210017_100000751147 [0,1,0,0,0,0|3,0,0]=4 6928 B12R1.267 CSCCSc1ccccc1N 62a_100000212216_100000210017 [0,1,0,0,0,0|3,0,0]=4 6929 B12R1.267 CSCCSc1ccccc1O 62a_100000212216_100000739446 [0,1,0,0,0,0|3,0,0]=4 6930 B12R1.267 CSCCSc1ccccc1O 62a_100000739446_100000751147 [0,1,0,0,0,0|3,0,0]=4 6931 B12R1.267 CSCCSc1ncc[nH]c1=O 62a_100000212216_100000763361 [0,1,0,0,0,0|3,0,0]=4 6932 B12R1.267 CSCCSc1ncccc1Br 62a_100000212216_100000696092 [0,1,0,0,0,0|2,0,0]=3 6933 B12R1.267 CSCCSc1ncccc1Br 62a_100000696092_100000751147 [0,1,0,0,0,0|2,0,0]=3 6934 B12R1.267 CSCCSc1ncccc1C 62a_100000212216_100000751373 [0,1,0,0,0,0|2,0,0]=3 6935 B12R1.267 CSCCSc1ncccc1C 62a_100000751373_100000751147 [0,1,0,0,0,0|2,0,0]=3 6936 B12R1.267 CSCCSc1ncccc1Cl 62a_100000212216_100011356963 [0,1,0,0,0,0|2,0,0]=3 6937 B12R1.267 CSCCSc1ncccc1Cl 62a_100011356963_100000751147 [0,1,0,0,0,0|2,0,0]=3 6938 B12R1.267 CSCCSc1ncccc1F 62a_100000212216_100000685392 [0,1,0,0,0,0|2,0,0]=3 6939 B12R1.267 CSCCSc1ncccc1F 62a_100000685392_100000751147 [0,1,0,0,0,0|2,0,0]=3 6940 B12R1.267 CSCCSc1ncccc1N 62a_100000212216_100000688686 [0,1,0,0,0,0|2,0,0]=3 6941 B12R1.267 CSCCSc1ncccc1N 62a_100000688686_100000751147 [0,1,0,0,0,0|2,0,0]=3 6942 B12R1.267 CSCCSc1ncccc1O 62a_100000034122_100000751147 [0,1,0,0,0,0|2,0,0]=3 6943 B12R1.267 CSCCSc1ncccc1O 62a_100000212216_100000034122 [0,1,0,0,0,0|2,0,0]=3 6944 B12R1.267 CSCCSc1nccnc1C 62a_100000212216_100011999405 [0,1,0,0,0,0|3,0,0]=4 6945 B12R1.267 CSCCSc1nccnc1C 62a_100011999405_100000751147 [0,1,0,0,0,0|3,0,0]=4 6946 B12R1.267 CSCCSc1nccnc1Cl 62a_100000212216_100010886584 [0,1,0,0,0,0|3,0,0]=4 6947 B12R1.267 CSCCSc1nccnc1Cl 62a_100010886584_100000751147 [0,1,0,0,0,0|3,0,0]=4 6948 B12R1.267 CSCCSc1nccnc1F 62a_100000212216_200010125657 [0,1,0,0,0,0|3,0,0]=4 6949 B12R1.267 CSCCSc1nccnc1F 62a_200010125657_100000751147 [0,1,0,0,0,0|3,0,0]=4 6950 B12R1.267 CSCCSc1nccnc1N 62a_100000212216_100000747729 [0,1,0,0,0,0|3,0,0]=4 6951 B12R1.267 CSCCSc1nccnc1N 62a_100000747729_100000751147 [0,1,0,0,0,0|3,0,0]=4 6952 B12R1.267 CSCCSc1ncncc1C 62a_100000212216_100011998708 [0,1,0,0,0,0|3,0,0]=4 6953 B12R1.267 CSCCSc1ncncc1C 62a_100011998708_100000751147 [0,1,0,0,0,0|3,0,0]=4 6954 B12R1.267 CSCCSc1ncncc1F 62a_100000069762_100000751147 [0,1,0,0,0,0|3,0,0]=4 6955 B12R1.267 CSCCSc1ncncc1F 62a_100000212216_100000069762 [0,1,0,0,0,0|3,0,0]=4 6956 B12R1.267 CSCCSc1ncncc1N 62a_100000212216_100000709731 [0,1,0,0,0,0|3,0,0]=4 6957 B12R1.267 CSCCSc1ncncc1N 62a_100000709731_100000751147 [0,1,0,0,0,0|3,0,0]=4 6958 B12R1.267 CSCCSc1nnccc1C 62a_100000212216_100000089043 [0,1,0,0,0,0|3,0,0]=4 6959 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [0,1,0,0,0,0|3,0,0]=4 6960 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [0,1,0,0,0,0|3,0,0]=4 6961 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [0,1,0,0,0,0|3,0,0]=4 6962 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [0,1,0,0,0,0|3,0,0]=4 6963 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [0,1,0,0,0,0|3,0,0]=4 6964 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [0,1,0,0,0,0|3,0,0]=4 6965 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [0,1,0,0,0,0|3,0,0]=4 6966 B12R1.267 CSCNCc1ncccc1C 34a_100011223789_100011218213 [0,1,0,0,0,0|2,0,0]=3 6967 B12R1.267 CSCNCc1ncccc1Cl 2230a_100015189233_100011218213 [0,1,0,0,0,0|2,0,0]=3 6968 B12R1.267 CSCNCc1ncccc1F 34a_100000690088_100011218213 [0,1,0,0,0,0|2,0,0]=3 6969 B12R1.267 CSCNCc1nccnc1C 2230a_100020641712_100011218213 [0,1,0,0,0,0|3,0,0]=4 6970 B12R1.267 CSCNCc1nccnc1C 34a_100020641712_100011218213 [0,1,0,0,0,0|3,0,0]=4 6971 B12R1.267 CSCNCc1nccnc1Cl 2230a_100000729963_100011218213 [0,1,0,0,0,0|3,0,0]=4 6972 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,1,0,0,0,0|3,0,0]=4 6973 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,1,0,0,0,0|3,0,0]=4 6974 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,1,0,0,0,0|3,0,0]=4 6975 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,1,0,0,0,0|3,0,0]=4 6976 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,1,0,0,0,0|3,0,0]=4 6977 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,1,0,0,0,0|3,0,0]=4 6978 B12R1.267 CSCOCc1ncccc1Br 34a_100011996772_100011218213 [0,1,0,0,0,0|2,0,0]=3 6979 B12R1.267 CSCOCc1ncccc1C 34a_100000698912_100011218213 [0,1,0,0,0,0|2,0,0]=3 6980 B12R1.267 CSCOCc1ncccc1Cl 34a_100012002383_100011218213 [0,1,0,0,0,0|2,0,0]=3 6981 B12R1.267 CSCOCc1ncccc1F 34a_100011934865_100011218213 [0,1,0,0,0,0|2,0,0]=3 6982 B12R1.267 CSCOCc1ncccc1N 34a_114873767017_100011218213 [0,1,0,0,0,0|2,0,0]=3 6983 B12R1.267 CSCOCc1nccnc1Cl 34a_100000057004_100011218213 [0,1,0,0,0,0|3,0,0]=4 6984 B12R1.267 CSCSCc1ccccc1Br 62a_100000184730_100011218213 [0,1,0,0,0,0|3,0,0]=4 6985 B12R1.267 CSCSCc1ccccc1Br 62a_100011218213_100000184730 [0,1,0,0,0,0|3,0,0]=4 6986 B12R1.267 CSCSCc1ccccc1C 62a_100000211839_100011218213 [0,1,0,0,0,0|3,0,0]=4 6987 B12R1.267 CSCSCc1ccccc1C 62a_100011218213_100000211839 [0,1,0,0,0,0|3,0,0]=4 6988 B12R1.267 CSCSCc1ccccc1Cl 62a_100000187162_100011218213 [0,1,0,0,0,0|3,0,0]=4 6989 B12R1.267 CSCSCc1ccccc1Cl 62a_100011218213_100000187162 [0,1,0,0,0,0|3,0,0]=4 6990 B12R1.267 CSCSCc1ccccc1F 62a_100000211605_100011218213 [0,1,0,0,0,0|3,0,0]=4 6991 B12R1.267 CSCSCc1ccccc1F 62a_100011218213_100000211605 [0,1,0,0,0,0|3,0,0]=4 6992 B12R1.267 CSCSCc1ccccc1I 62a_100011216222_100011218213 [0,1,0,0,0,0|3,0,0]=4 6993 B12R1.267 CSCSCc1ccccc1I 62a_100011218213_100011216222 [0,1,0,0,0,0|3,0,0]=4 6994 B12R1.267 CSCSCc1ncccc1Br 62a_100011218213_100025702911 [0,1,0,0,0,0|2,0,0]=3 6995 B12R1.267 CSCSCc1ncccc1Br 62a_100025702911_100011218213 [0,1,0,0,0,0|2,0,0]=3 6996 B12R1.267 CSCSCc1ncccc1C 62a_100000696600_100011218213 [0,1,0,0,0,0|2,0,0]=3 6997 B12R1.267 CSCSCc1ncccc1C 62a_100011218213_100000696600 [0,1,0,0,0,0|2,0,0]=3 6998 B12R1.267 CSCSCc1ncccc1Cl 62a_100000099807_100011218213 [0,1,0,0,0,0|2,0,0]=3 6999 B12R1.267 CSCSCc1ncccc1Cl 62a_100011218213_100000099807 [0,1,0,0,0,0|2,0,0]=3 7000 B12R1.267 CSCSCc1ncccc1F 62a_100000104219_100011218213 [0,1,0,0,0,0|2,0,0]=3 7001 B12R1.267 CSCSCc1ncccc1F 62a_100011218213_100000104219 [0,1,0,0,0,0|2,0,0]=3 7002 B12R1.267 CSCSCc1ncccc1O 62a_100011218213_200020655725 [0,1,0,0,0,0|2,0,0]=3 7003 B12R1.267 CSCSCc1ncccc1O 62a_200020655725_100011218213 [0,1,0,0,0,0|2,0,0]=3 7004 B12R1.267 C[n+]1ccccc1SCCCF 62a_100011934791_100000212160 [0,1,0,0,0,0|2,0,1]=4 7005 B12R1.267 C[n+]1ccccc1SCCCO 62a_100011215043_100000212160 [0,1,0,0,0,0|2,0,1]=4 7006 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,1,0,0,0,0|3,0,0]=4 7007 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [0,1,0,0,0,0|3,0,0]=4 7008 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [0,1,0,0,0,0|3,0,0]=4 7009 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [0,1,0,0,0,0|3,0,0]=4 7010 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [0,1,0,0,0,0|3,0,0]=4 7011 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [0,1,0,0,0,0|3,0,0]=4 7012 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [0,1,0,0,0,0|3,0,0]=4 7013 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,1,0,0,0,0|3,0,0]=4 7014 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,1,0,0,0,0|3,0,0]=4 7015 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,1,0,0,0,0|3,0,0]=4 7016 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,1,0,0,0,0|3,0,0]=4 7017 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,1,0,0,0,0|3,0,0]=4 7018 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [0,1,0,0,0,0|3,0,0]=4 7019 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [0,1,0,0,0,0|3,0,0]=4 7020 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [0,1,0,0,0,0|3,0,0]=4 7021 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,1,0,0,0,0|3,0,0]=4 7022 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,1,0,0,0,0|3,0,0]=4 7023 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,1,0,0,0,0|3,0,0]=4 7024 B12R1.267 Cc1ccccc1CSCCF 62a_100000211839_100011217306 [0,1,0,0,0,0|3,0,0]=4 7025 B12R1.267 Cc1ccccc1CSCCF 62a_100011217306_100000211839 [0,1,0,0,0,0|3,0,0]=4 7026 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [0,1,0,0,0,0|3,0,0]=4 7027 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [0,1,0,0,0,0|3,0,0]=4 7028 B12R1.267 Cc1ccccc1NCCCF 34a_100015192222_100011934791 [0,1,0,0,0,0|3,0,0]=4 7029 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [0,1,0,0,0,0|3,0,0]=4 7030 B12R1.267 Cc1ccccc1NCCO[13CH3] 34a_100011233185_200025704644 [0,1,0,0,0,0|3,0,0]=4 7031 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [0,1,0,0,0,0|3,0,0]=4 7032 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [0,1,0,0,0,0|3,0,0]=4 7033 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,1,0,0,0,0|3,0,0]=4 7034 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,1,0,0,0,0|3,0,0]=4 7035 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,1,0,0,0,0|3,0,0]=4 7036 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,1,0,0,0,0|3,0,0]=4 7037 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,1,0,0,0,0|3,0,0]=4 7038 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,1,0,0,0,0|3,0,0]=4 7039 B12R1.267 Cc1ccccc1SCCCF 62a_100000210755_100011934791 [0,1,0,0,0,0|3,0,0]=4 7040 B12R1.267 Cc1ccccc1SCCCF 62a_100011934791_100000210755 [0,1,0,0,0,0|3,0,0]=4 7041 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [0,1,0,0,0,0|3,0,0]=4 7042 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [0,1,0,0,0,0|3,0,0]=4 7043 B12R1.267 Cc1cccnc1CCOCF 34a_100011997706_100015361967 [0,1,0,0,0,0|2,0,0]=3 7044 B12R1.267 Cc1cccnc1CCOCF 7a_100011997706_100015361967 [0,1,0,0,0,0|2,0,0]=3 7045 B12R1.267 Cc1cccnc1CNCC=O 34a_100011223789_200009817547 [0,1,0,0,0,0|2,0,1]=4 7046 B12R1.267 Cc1cccnc1CNCCF 34a_100000724931_100000696600 [0,1,0,0,0,0|2,0,0]=3 7047 B12R1.267 Cc1cccnc1CNCCF 34a_100011223789_100011217306 [0,1,0,0,0,0|2,0,0]=3 7048 B12R1.267 Cc1cccnc1CNCCO 207a_100000210304_100000698913 [0,1,0,0,0,0|2,0,0]=3 7049 B12R1.267 Cc1cccnc1CNCCO 2230a_100016997473_100000696600 [0,1,0,0,0,0|2,0,0]=3 7050 B12R1.267 Cc1cccnc1CNCCO 270004a_100000210304_100000698913 [0,1,0,0,0,0|2,0,0]=3 7051 B12R1.267 Cc1cccnc1CNCCO 34a_100011223789_100000211926 [0,1,0,0,0,0|2,0,0]=3 7052 B12R1.267 Cc1cccnc1CNCCO 34a_100016990907_100000696600 [0,1,0,0,0,0|2,0,0]=3 7053 B12R1.267 Cc1cccnc1COCC=O 34a_100000698912_200009817547 [0,1,0,0,0,0|2,0,1]=4 7054 B12R1.267 Cc1cccnc1COCCBr 34a_100000211926_100000696600 [0,1,0,0,0,0|2,0,0]=3 7055 B12R1.267 Cc1cccnc1COCCF 34a_100000698912_100011217306 [0,1,0,0,0,0|2,0,0]=3 7056 B12R1.267 Cc1cccnc1COCCN 34a_100000210304_100000696600 [0,1,0,0,0,0|2,0,0]=3 7057 B12R1.267 Cc1cccnc1COCCO 34a_100000698912_100000211926 [0,1,0,0,0,0|2,0,0]=3 7058 B12R1.267 Cc1cccnc1CSCC#N 62a_100000696600_100011215382 [0,1,0,0,0,0|2,0,1]=4 7059 B12R1.267 Cc1cccnc1CSCC#N 62a_100011215382_100000696600 [0,1,0,0,0,0|2,0,1]=4 7060 B12R1.267 Cc1cccnc1CSCC=O 62a_100000696600_200015260668 [0,1,0,0,0,0|2,0,1]=4 7061 B12R1.267 Cc1cccnc1CSCC=O 62a_200015260668_100000696600 [0,1,0,0,0,0|2,0,1]=4 7062 B12R1.267 Cc1cccnc1CSCCF 62a_100000696600_100011217306 [0,1,0,0,0,0|2,0,0]=3 7063 B12R1.267 Cc1cccnc1CSCCF 62a_100011217306_100000696600 [0,1,0,0,0,0|2,0,0]=3 7064 B12R1.267 Cc1cccnc1CSCCO 62a_100000211926_100000696600 [0,1,0,0,0,0|2,0,0]=3 7065 B12R1.267 Cc1cccnc1CSCCO 62a_100000696600_100000211926 [0,1,0,0,0,0|2,0,0]=3 7066 B12R1.267 Cc1cccnc1SCCC#N 62a_100000751373_100011215226 [0,1,0,0,0,0|2,0,1]=4 7067 B12R1.267 Cc1cccnc1SCCC#N 62a_100011215226_100000751373 [0,1,0,0,0,0|2,0,1]=4 7068 B12R1.267 Cc1cccnc1SCCCF 62a_100000751373_100011934791 [0,1,0,0,0,0|2,0,0]=3 7069 B12R1.267 Cc1cccnc1SCCCF 62a_100011934791_100000751373 [0,1,0,0,0,0|2,0,0]=3 7070 B12R1.267 Cc1cccnc1SCCCO 62a_100000751373_100011215043 [0,1,0,0,0,0|2,0,0]=3 7071 B12R1.267 Cc1cccnc1SCCCO 62a_100011215043_100000751373 [0,1,0,0,0,0|2,0,0]=3 7072 B12R1.267 Cc1ccnnc1NCCCF 27a_100015189416_100000089043 [0,1,0,0,0,0|3,0,0]=4 7073 B12R1.267 Cc1ccnnc1NCCCO 27a_100000182051_100000089043 [0,1,0,0,0,0|3,0,0]=4 7074 B12R1.267 Cc1ccnnc1SCCCF 62a_100011934791_100000089043 [0,1,0,0,0,0|3,0,0]=4 7075 B12R1.267 Cc1ccnnc1SCCCO 62a_100011215043_100000089043 [0,1,0,0,0,0|3,0,0]=4 7076 B12R1.267 Cc1cncnc1NCCCF 27a_100015189416_100011998708 [0,1,0,0,0,0|3,0,0]=4 7077 B12R1.267 Cc1cncnc1NCCCO 27a_100000182051_100011998708 [0,1,0,0,0,0|3,0,0]=4 7078 B12R1.267 Cc1cncnc1SCCCF 62a_100011934791_100011998708 [0,1,0,0,0,0|3,0,0]=4 7079 B12R1.267 Cc1cncnc1SCCCF 62a_100011998708_100011934791 [0,1,0,0,0,0|3,0,0]=4 7080 B12R1.267 Cc1cncnc1SCCCO 62a_100011215043_100011998708 [0,1,0,0,0,0|3,0,0]=4 7081 B12R1.267 Cc1cncnc1SCCCO 62a_100011998708_100011215043 [0,1,0,0,0,0|3,0,0]=4 7082 B12R1.267 Cc1nccnc1CNCCF 2230a_100020641712_100011217306 [0,1,0,0,0,0|3,0,0]=4 7083 B12R1.267 Cc1nccnc1CNCCF 34a_100020641712_100011217306 [0,1,0,0,0,0|3,0,0]=4 7084 B12R1.267 Cc1nccnc1CNCCO 2230a_100020641712_100000211926 [0,1,0,0,0,0|3,0,0]=4 7085 B12R1.267 Cc1nccnc1CNCCO 270004a_100000210304_100000050726 [0,1,0,0,0,0|3,0,0]=4 7086 B12R1.267 Cc1nccnc1CNCCO 34a_100020641712_100000211926 [0,1,0,0,0,0|3,0,0]=4 7087 B12R1.267 Cc1nccnc1NCCCF 27a_100015189416_100011999405 [0,1,0,0,0,0|3,0,0]=4 7088 B12R1.267 Cc1nccnc1NCCCO 27a_100000182051_100011999405 [0,1,0,0,0,0|3,0,0]=4 7089 B12R1.267 Cc1nccnc1OCCCF 34a_100000766352_100011934791 [0,1,0,0,0,0|3,0,0]=4 7090 B12R1.267 Cc1nccnc1OCCCO 34a_100000766352_100000230001 [0,1,0,0,0,0|3,0,0]=4 7091 B12R1.267 Cc1nccnc1SCCCF 62a_100011934791_100011999405 [0,1,0,0,0,0|3,0,0]=4 7092 B12R1.267 Cc1nccnc1SCCCF 62a_100011999405_100011934791 [0,1,0,0,0,0|3,0,0]=4 7093 B12R1.267 Cc1nccnc1SCCCO 62a_100011215043_100011999405 [0,1,0,0,0,0|3,0,0]=4 7094 B12R1.267 Cc1nccnc1SCCCO 62a_100011999405_100011215043 [0,1,0,0,0,0|3,0,0]=4 7095 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [0,1,0,0,0,0|3,0,0]=4 7096 B12R1.267 FCCCNc1ccccc1Br 34a_100000210017_100011934791 [0,1,0,0,0,0|3,0,0]=4 7097 B12R1.267 FCCCNc1ccccc1Cl 34a_100000185783_100011934791 [0,1,0,0,0,0|3,0,0]=4 7098 B12R1.267 FCCCNc1ccccc1F 34a_100000210422_100011934791 [0,1,0,0,0,0|3,0,0]=4 7099 B12R1.267 FCCCNc1ccccc1I 34a_100000210053_100011934791 [0,1,0,0,0,0|3,0,0]=4 7100 B12R1.267 FCCCNc1ncccc1Br 27a_100015189416_100000696092 [0,1,0,0,0,0|2,0,0]=3 7101 B12R1.267 FCCCNc1nccnc1F 27a_100015189416_200010125657 [0,1,0,0,0,0|3,0,0]=4 7102 B12R1.267 FCCCNc1ncncc1F 27a_100015189416_100000069762 [0,1,0,0,0,0|3,0,0]=4 7103 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [0,1,0,0,0,0|3,0,0]=4 7104 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [0,1,0,0,0,0|3,0,0]=4 7105 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [0,1,0,0,0,0|3,0,0]=4 7106 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [0,1,0,0,0,0|3,0,0]=4 7107 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [0,1,0,0,0,0|3,0,0]=4 7108 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [0,1,0,0,0,0|3,0,0]=4 7109 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [0,1,0,0,0,0|3,0,0]=4 7110 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [0,1,0,0,0,0|3,0,0]=4 7111 B12R1.267 FCCCOc1ncccc1Cl 34a_100011290957_100011934791 [0,1,0,0,0,0|2,0,0]=3 7112 B12R1.267 FCCCOc1ncccc1F 34a_100011219419_100011934791 [0,1,0,0,0,0|2,0,0]=3 7113 B12R1.267 FCCCSc1ccccc1Br 62a_100000695589_100011934791 [0,1,0,0,0,0|3,0,0]=4 7114 B12R1.267 FCCCSc1ccccc1Br 62a_100011934791_100000695589 [0,1,0,0,0,0|3,0,0]=4 7115 B12R1.267 FCCCSc1ccccc1Cl 62a_100000764095_100011934791 [0,1,0,0,0,0|3,0,0]=4 7116 B12R1.267 FCCCSc1ccccc1Cl 62a_100011934791_100000764095 [0,1,0,0,0,0|3,0,0]=4 7117 B12R1.267 FCCCSc1ccccc1F 62a_100011215700_100011934791 [0,1,0,0,0,0|3,0,0]=4 7118 B12R1.267 FCCCSc1ccccc1F 62a_100011934791_100011215700 [0,1,0,0,0,0|3,0,0]=4 7119 B12R1.267 FCCCSc1ncccc1Br 62a_100000696092_100011934791 [0,1,0,0,0,0|2,0,0]=3 7120 B12R1.267 FCCCSc1ncccc1Br 62a_100011934791_100000696092 [0,1,0,0,0,0|2,0,0]=3 7121 B12R1.267 FCCCSc1ncccc1Cl 62a_100011356963_100011934791 [0,1,0,0,0,0|2,0,0]=3 7122 B12R1.267 FCCCSc1ncccc1Cl 62a_100011934791_100011356963 [0,1,0,0,0,0|2,0,0]=3 7123 B12R1.267 FCCCSc1ncccc1F 62a_100000685392_100011934791 [0,1,0,0,0,0|2,0,0]=3 7124 B12R1.267 FCCCSc1ncccc1F 62a_100011934791_100000685392 [0,1,0,0,0,0|2,0,0]=3 7125 B12R1.267 FCCCSc1nccnc1Cl 62a_100010886584_100011934791 [0,1,0,0,0,0|3,0,0]=4 7126 B12R1.267 FCCCSc1nccnc1Cl 62a_100011934791_100010886584 [0,1,0,0,0,0|3,0,0]=4 7127 B12R1.267 FCCCSc1nccnc1F 62a_100011934791_200010125657 [0,1,0,0,0,0|3,0,0]=4 7128 B12R1.267 FCCCSc1nccnc1F 62a_200010125657_100011934791 [0,1,0,0,0,0|3,0,0]=4 7129 B12R1.267 FCCCSc1ncncc1F 62a_100000069762_100011934791 [0,1,0,0,0,0|3,0,0]=4 7130 B12R1.267 FCCCSc1ncncc1F 62a_100011934791_100000069762 [0,1,0,0,0,0|3,0,0]=4 7131 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [0,1,0,0,0,0|3,0,0]=4 7132 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [0,1,0,0,0,0|3,0,0]=4 7133 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [0,1,0,0,0,0|3,0,0]=4 7134 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [0,1,0,0,0,0|3,0,0]=4 7135 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [0,1,0,0,0,0|3,0,0]=4 7136 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [0,1,0,0,0,0|3,0,0]=4 7137 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [0,1,0,0,0,0|3,0,0]=4 7138 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [0,1,0,0,0,0|3,0,0]=4 7139 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [0,1,0,0,0,0|3,0,0]=4 7140 B12R1.267 FCCNCc1ncccc1Br 34a_100000724931_100025702911 [0,1,0,0,0,0|2,0,0]=3 7141 B12R1.267 FCCNCc1ncccc1Cl 2230a_100015189233_100011217306 [0,1,0,0,0,0|2,0,0]=3 7142 B12R1.267 FCCNCc1ncccc1F 34a_100000690088_100011217306 [0,1,0,0,0,0|2,0,0]=3 7143 B12R1.267 FCCNCc1ncccc1F 34a_100000724931_100000104219 [0,1,0,0,0,0|2,0,0]=3 7144 B12R1.267 FCCNCc1nccnc1Cl 2230a_100000729963_100011217306 [0,1,0,0,0,0|3,0,0]=4 7145 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [0,1,0,0,0,0|3,0,0]=4 7146 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [0,1,0,0,0,0|3,0,0]=4 7147 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [0,1,0,0,0,0|3,0,0]=4 7148 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [0,1,0,0,0,0|3,0,0]=4 7149 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [0,1,0,0,0,0|3,0,0]=4 7150 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [0,1,0,0,0,0|3,0,0]=4 7151 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [0,1,0,0,0,0|3,0,0]=4 7152 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [0,1,0,0,0,0|3,0,0]=4 7153 B12R1.267 FCCOCc1ncccc1Br 34a_100011996772_100011217306 [0,1,0,0,0,0|2,0,0]=3 7154 B12R1.267 FCCOCc1ncccc1Cl 34a_100012002383_100011217306 [0,1,0,0,0,0|2,0,0]=3 7155 B12R1.267 FCCOCc1ncccc1F 34a_100011934865_100011217306 [0,1,0,0,0,0|2,0,0]=3 7156 B12R1.267 FCCOCc1nccnc1Cl 34a_100000057004_100011217306 [0,1,0,0,0,0|3,0,0]=4 7157 B12R1.267 FCCSCc1ccccc1Br 62a_100000184730_100011217306 [0,1,0,0,0,0|3,0,0]=4 7158 B12R1.267 FCCSCc1ccccc1Br 62a_100011217306_100000184730 [0,1,0,0,0,0|3,0,0]=4 7159 B12R1.267 FCCSCc1ccccc1Cl 62a_100000187162_100011217306 [0,1,0,0,0,0|3,0,0]=4 7160 B12R1.267 FCCSCc1ccccc1Cl 62a_100011217306_100000187162 [0,1,0,0,0,0|3,0,0]=4 7161 B12R1.267 FCCSCc1ccccc1F 62a_100000211605_100011217306 [0,1,0,0,0,0|3,0,0]=4 7162 B12R1.267 FCCSCc1ccccc1F 62a_100011217306_100000211605 [0,1,0,0,0,0|3,0,0]=4 7163 B12R1.267 FCCSCc1ccccc1I 62a_100011216222_100011217306 [0,1,0,0,0,0|3,0,0]=4 7164 B12R1.267 FCCSCc1ccccc1I 62a_100011217306_100011216222 [0,1,0,0,0,0|3,0,0]=4 7165 B12R1.267 FCCSCc1ncccc1Br 62a_100011217306_100025702911 [0,1,0,0,0,0|2,0,0]=3 7166 B12R1.267 FCCSCc1ncccc1Br 62a_100025702911_100011217306 [0,1,0,0,0,0|2,0,0]=3 7167 B12R1.267 FCCSCc1ncccc1Cl 62a_100000099807_100011217306 [0,1,0,0,0,0|2,0,0]=3 7168 B12R1.267 FCCSCc1ncccc1Cl 62a_100011217306_100000099807 [0,1,0,0,0,0|2,0,0]=3 7169 B12R1.267 FCCSCc1ncccc1F 62a_100000104219_100011217306 [0,1,0,0,0,0|2,0,0]=3 7170 B12R1.267 FCCSCc1ncccc1F 62a_100011217306_100000104219 [0,1,0,0,0,0|2,0,0]=3 7171 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,1,0,0,0,0|3,0,0]=4 7172 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,1,0,0,0,0|3,0,0]=4 7173 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,1,0,0,0,0|3,0,0]=4 7174 B12R1.267 FCOCCc1ccccc1Br 34a_100000731337_100015361967 [0,1,0,0,0,0|3,0,0]=4 7175 B12R1.267 FCOCCc1ccccc1Br 7a_100000731337_100015361967 [0,1,0,0,0,0|3,0,0]=4 7176 B12R1.267 FCOCCc1ccccc1Cl 34a_100011215284_100015361967 [0,1,0,0,0,0|3,0,0]=4 7177 B12R1.267 FCOCCc1ccccc1Cl 7a_100011215284_100015361967 [0,1,0,0,0,0|3,0,0]=4 7178 B12R1.267 FCOCCc1ccccc1F 34a_100000753711_100015361967 [0,1,0,0,0,0|3,0,0]=4 7179 B12R1.267 FCOCCc1ccccc1F 7a_100000753711_100015361967 [0,1,0,0,0,0|3,0,0]=4 7180 B12R1.267 FCOCCc1ccccc1I 34a_100010255290_100015361967 [0,1,0,0,0,0|3,0,0]=4 7181 B12R1.267 FCOCCc1ccccc1I 7a_100010255290_100015361967 [0,1,0,0,0,0|3,0,0]=4 7182 B12R1.267 FCSCCc1ccccc1Br 62a_100012161201_100015361967 [0,1,0,0,0,0|3,0,0]=4 7183 B12R1.267 FCSCCc1ccccc1Br 62a_100015361967_100012161201 [0,1,0,0,0,0|3,0,0]=4 7184 B12R1.267 FCSCCc1ccccc1Cl 62a_100011713703_100015361967 [0,1,0,0,0,0|3,0,0]=4 7185 B12R1.267 FCSCCc1ccccc1Cl 62a_100015361967_100011713703 [0,1,0,0,0,0|3,0,0]=4 7186 B12R1.267 FCSCCc1ccccc1F 62a_100011713696_100015361967 [0,1,0,0,0,0|3,0,0]=4 7187 B12R1.267 FCSCCc1ccccc1F 62a_100015361967_100011713696 [0,1,0,0,0,0|3,0,0]=4 7188 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [0,1,0,0,0,0|3,0,0]=4 7189 B12R1.267 Fc1cccnc1COCCBr 34a_100000211926_100000104219 [0,1,0,0,0,0|2,0,0]=3 7190 B12R1.267 N#CCCNc1ncccc1Br 27a_100000720768_100000696092 [0,1,0,0,0,0|2,0,1]=4 7191 B12R1.267 N#CCCSc1ncccc1Br 62a_100000696092_100011215226 [0,1,0,0,0,0|2,0,1]=4 7192 B12R1.267 N#CCCSc1ncccc1Br 62a_100011215226_100000696092 [0,1,0,0,0,0|2,0,1]=4 7193 B12R1.267 N#CCCSc1ncccc1Cl 62a_100011215226_100011356963 [0,1,0,0,0,0|2,0,1]=4 7194 B12R1.267 N#CCCSc1ncccc1Cl 62a_100011356963_100011215226 [0,1,0,0,0,0|2,0,1]=4 7195 B12R1.267 N#CCCSc1ncccc1F 62a_100000685392_100011215226 [0,1,0,0,0,0|2,0,1]=4 7196 B12R1.267 N#CCCSc1ncccc1F 62a_100011215226_100000685392 [0,1,0,0,0,0|2,0,1]=4 7197 B12R1.267 N#CCCSc1ncccc1N 62a_100000688686_100011215226 [0,1,0,0,0,0|2,0,1]=4 7198 B12R1.267 N#CCCSc1ncccc1N 62a_100011215226_100000688686 [0,1,0,0,0,0|2,0,1]=4 7199 B12R1.267 N#CCCSc1ncccc1O 62a_100000034122_100011215226 [0,1,0,0,0,0|2,0,1]=4 7200 B12R1.267 N#CCCSc1ncccc1O 62a_100011215226_100000034122 [0,1,0,0,0,0|2,0,1]=4 7201 B12R1.267 N#CCNCc1ncccc1Cl 2230a_100015189233_100011215382 [0,1,0,0,0,0|2,0,1]=4 7202 B12R1.267 N#CCSCc1ncccc1Br 62a_100011215382_100025702911 [0,1,0,0,0,0|2,0,1]=4 7203 B12R1.267 N#CCSCc1ncccc1Br 62a_100025702911_100011215382 [0,1,0,0,0,0|2,0,1]=4 7204 B12R1.267 N#CCSCc1ncccc1Cl 62a_100000099807_100011215382 [0,1,0,0,0,0|2,0,1]=4 7205 B12R1.267 N#CCSCc1ncccc1Cl 62a_100011215382_100000099807 [0,1,0,0,0,0|2,0,1]=4 7206 B12R1.267 N#CCSCc1ncccc1F 62a_100000104219_100011215382 [0,1,0,0,0,0|2,0,1]=4 7207 B12R1.267 N#CCSCc1ncccc1F 62a_100011215382_100000104219 [0,1,0,0,0,0|2,0,1]=4 7208 B12R1.267 N#CCSCc1ncccc1O 62a_100011215382_200020655725 [0,1,0,0,0,0|2,0,1]=4 7209 B12R1.267 N#CCSCc1ncccc1O 62a_200020655725_100011215382 [0,1,0,0,0,0|2,0,1]=4 7210 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,1,0,0,0,0|3,0,0]=4 7211 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,1,0,0,0,0|3,0,0]=4 7212 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,1,0,0,0,0|3,0,0]=4 7213 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,1,0,0,0,0|3,0,0]=4 7214 B12R1.267 NCCOCc1ncccc1Br 34a_100000210304_100025702911 [0,1,0,0,0,0|2,0,0]=3 7215 B12R1.267 NCCOCc1ncccc1F 34a_100000210304_100000104219 [0,1,0,0,0,0|2,0,0]=3 7216 B12R1.267 NCCOCc1ncccc1O 34a_100000210304_200020655725 [0,1,0,0,0,0|2,0,0]=3 7217 B12R1.267 Nc1ccccc1CCOCF 34a_100011215289_100015361967 [0,1,0,0,0,0|3,0,0]=4 7218 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [0,1,0,0,0,0|3,0,0]=4 7219 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,1,0,0,0,0|3,0,0]=4 7220 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [0,1,0,0,0,0|3,0,0]=4 7221 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [0,1,0,0,0,0|3,0,0]=4 7222 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,1,0,0,0,0|3,0,0]=4 7223 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,1,0,0,0,0|3,0,0]=4 7224 B12R1.267 Nc1ccccc1SCCCF 62a_100000210017_100011934791 [0,1,0,0,0,0|3,0,0]=4 7225 B12R1.267 Nc1ccccc1SCCCF 62a_100011934791_100000210017 [0,1,0,0,0,0|3,0,0]=4 7226 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [0,1,0,0,0,0|3,0,0]=4 7227 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [0,1,0,0,0,0|3,0,0]=4 7228 B12R1.267 Nc1cccnc1COCC=O 34a_114873767017_200009817547 [0,1,0,0,0,0|2,0,1]=4 7229 B12R1.267 Nc1cccnc1COCCF 34a_114873767017_100011217306 [0,1,0,0,0,0|2,0,0]=3 7230 B12R1.267 Nc1cccnc1COCCO 34a_114873767017_100000211926 [0,1,0,0,0,0|2,0,0]=3 7231 B12R1.267 Nc1cccnc1OCCCF 34a_100000746358_100011934791 [0,1,0,0,0,0|2,0,0]=3 7232 B12R1.267 Nc1cccnc1OCCCO 34a_100000746358_100000230001 [0,1,0,0,0,0|2,0,0]=3 7233 B12R1.267 Nc1cccnc1SCCCF 62a_100000688686_100011934791 [0,1,0,0,0,0|2,0,0]=3 7234 B12R1.267 Nc1cccnc1SCCCF 62a_100011934791_100000688686 [0,1,0,0,0,0|2,0,0]=3 7235 B12R1.267 Nc1cccnc1SCCCO 62a_100000688686_100011215043 [0,1,0,0,0,0|2,0,0]=3 7236 B12R1.267 Nc1cccnc1SCCCO 62a_100011215043_100000688686 [0,1,0,0,0,0|2,0,0]=3 7237 B12R1.267 Nc1cncnc1NCCCF 27a_100015189416_100000709731 [0,1,0,0,0,0|3,0,0]=4 7238 B12R1.267 Nc1cncnc1NCCCO 27a_100000182051_100000709731 [0,1,0,0,0,0|3,0,0]=4 7239 B12R1.267 Nc1cncnc1SCCCF 62a_100000709731_100011934791 [0,1,0,0,0,0|3,0,0]=4 7240 B12R1.267 Nc1cncnc1SCCCF 62a_100011934791_100000709731 [0,1,0,0,0,0|3,0,0]=4 7241 B12R1.267 Nc1cncnc1SCCCO 62a_100000709731_100011215043 [0,1,0,0,0,0|3,0,0]=4 7242 B12R1.267 Nc1cncnc1SCCCO 62a_100011215043_100000709731 [0,1,0,0,0,0|3,0,0]=4 7243 B12R1.267 Nc1nccnc1SCCCF 62a_100000747729_100011934791 [0,1,0,0,0,0|3,0,0]=4 7244 B12R1.267 Nc1nccnc1SCCCF 62a_100011934791_100000747729 [0,1,0,0,0,0|3,0,0]=4 7245 B12R1.267 Nc1nccnc1SCCCO 62a_100000747729_100011215043 [0,1,0,0,0,0|3,0,0]=4 7246 B12R1.267 Nc1nccnc1SCCCO 62a_100011215043_100000747729 [0,1,0,0,0,0|3,0,0]=4 7247 B12R1.267 O=CCNCc1ncccc1Cl 2230a_100015189233_200015260668 [0,1,0,0,0,0|2,0,1]=4 7248 B12R1.267 O=CCNCc1ncccc1F 34a_100000690088_200009817547 [0,1,0,0,0,0|2,0,1]=4 7249 B12R1.267 O=CCOCc1ncccc1Br 34a_100011996772_200009817547 [0,1,0,0,0,0|2,0,1]=4 7250 B12R1.267 O=CCOCc1ncccc1Cl 34a_100012002383_200009817547 [0,1,0,0,0,0|2,0,1]=4 7251 B12R1.267 O=CCOCc1ncccc1F 34a_100011934865_200009817547 [0,1,0,0,0,0|2,0,1]=4 7252 B12R1.267 O=CCSCc1ncccc1Br 62a_100025702911_200015260668 [0,1,0,0,0,0|2,0,1]=4 7253 B12R1.267 O=CCSCc1ncccc1Br 62a_200015260668_100025702911 [0,1,0,0,0,0|2,0,1]=4 7254 B12R1.267 O=CCSCc1ncccc1Cl 62a_100000099807_200015260668 [0,1,0,0,0,0|2,0,1]=4 7255 B12R1.267 O=CCSCc1ncccc1Cl 62a_200015260668_100000099807 [0,1,0,0,0,0|2,0,1]=4 7256 B12R1.267 O=CCSCc1ncccc1F 62a_100000104219_200015260668 [0,1,0,0,0,0|2,0,1]=4 7257 B12R1.267 O=CCSCc1ncccc1F 62a_200015260668_100000104219 [0,1,0,0,0,0|2,0,1]=4 7258 B12R1.267 O=CCSCc1ncccc1O 62a_200015260668_200020655725 [0,1,0,0,0,0|2,0,1]=4 7259 B12R1.267 O=CCSCc1ncccc1O 62a_200020655725_200015260668 [0,1,0,0,0,0|2,0,1]=4 7260 B12R1.267 O=c1[nH]ccnc1SCCCF 62a_100011934791_100000763361 [0,1,0,0,0,0|3,0,0]=4 7261 B12R1.267 O=c1[nH]ccnc1SCCCO 62a_100011215043_100000763361 [0,1,0,0,0,0|3,0,0]=4 7262 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,1,0,0,0,0|2,0,0]=3 7263 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [0,1,0,0,0,0|3,0,0]=4 7264 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [0,1,0,0,0,0|3,0,0]=4 7265 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [0,1,0,0,0,0|3,0,0]=4 7266 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [0,1,0,0,0,0|3,0,0]=4 7267 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [0,1,0,0,0,0|3,0,0]=4 7268 B12R1.267 OCCCNc1ncccc1Br 27a_100000182051_100000696092 [0,1,0,0,0,0|2,0,0]=3 7269 B12R1.267 OCCCNc1nccnc1F 27a_100000182051_200010125657 [0,1,0,0,0,0|3,0,0]=4 7270 B12R1.267 OCCCNc1ncncc1F 27a_100000182051_100000069762 [0,1,0,0,0,0|3,0,0]=4 7271 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,1,0,0,0,0|3,0,0]=4 7272 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,1,0,0,0,0|3,0,0]=4 7273 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,1,0,0,0,0|3,0,0]=4 7274 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,1,0,0,0,0|3,0,0]=4 7275 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,1,0,0,0,0|3,0,0]=4 7276 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,1,0,0,0,0|3,0,0]=4 7277 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,1,0,0,0,0|3,0,0]=4 7278 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,1,0,0,0,0|3,0,0]=4 7279 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [0,1,0,0,0,0|2,0,0]=3 7280 B12R1.267 OCCCOc1ncccc1F 34a_100011219419_100000230001 [0,1,0,0,0,0|2,0,0]=3 7281 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [0,1,0,0,0,0|3,0,0]=4 7282 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [0,1,0,0,0,0|3,0,0]=4 7283 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [0,1,0,0,0,0|3,0,0]=4 7284 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [0,1,0,0,0,0|3,0,0]=4 7285 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [0,1,0,0,0,0|3,0,0]=4 7286 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [0,1,0,0,0,0|3,0,0]=4 7287 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [0,1,0,0,0,0|3,0,0]=4 7288 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [0,1,0,0,0,0|3,0,0]=4 7289 B12R1.267 OCCCSc1ncccc1Br 62a_100000696092_100011215043 [0,1,0,0,0,0|2,0,0]=3 7290 B12R1.267 OCCCSc1ncccc1Br 62a_100011215043_100000696092 [0,1,0,0,0,0|2,0,0]=3 7291 B12R1.267 OCCCSc1ncccc1Cl 62a_100011215043_100011356963 [0,1,0,0,0,0|2,0,0]=3 7292 B12R1.267 OCCCSc1ncccc1Cl 62a_100011356963_100011215043 [0,1,0,0,0,0|2,0,0]=3 7293 B12R1.267 OCCCSc1ncccc1F 62a_100000685392_100011215043 [0,1,0,0,0,0|2,0,0]=3 7294 B12R1.267 OCCCSc1ncccc1F 62a_100011215043_100000685392 [0,1,0,0,0,0|2,0,0]=3 7295 B12R1.267 OCCCSc1ncccc1O 62a_100000034122_100011215043 [0,1,0,0,0,0|2,0,0]=3 7296 B12R1.267 OCCCSc1ncccc1O 62a_100011215043_100000034122 [0,1,0,0,0,0|2,0,0]=3 7297 B12R1.267 OCCCSc1nccnc1Cl 62a_100010886584_100011215043 [0,1,0,0,0,0|3,0,0]=4 7298 B12R1.267 OCCCSc1nccnc1Cl 62a_100011215043_100010886584 [0,1,0,0,0,0|3,0,0]=4 7299 B12R1.267 OCCCSc1nccnc1F 62a_100011215043_200010125657 [0,1,0,0,0,0|3,0,0]=4 7300 B12R1.267 OCCCSc1nccnc1F 62a_200010125657_100011215043 [0,1,0,0,0,0|3,0,0]=4 7301 B12R1.267 OCCCSc1ncncc1F 62a_100000069762_100011215043 [0,1,0,0,0,0|3,0,0]=4 7302 B12R1.267 OCCCSc1ncncc1F 62a_100011215043_100000069762 [0,1,0,0,0,0|3,0,0]=4 7303 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,1,0,0,0,0|3,0,0]=4 7304 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,1,0,0,0,0|3,0,0]=4 7305 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,1,0,0,0,0|3,0,0]=4 7306 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,1,0,0,0,0|3,0,0]=4 7307 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,1,0,0,0,0|3,0,0]=4 7308 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,1,0,0,0,0|3,0,0]=4 7309 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,1,0,0,0,0|3,0,0]=4 7310 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,1,0,0,0,0|3,0,0]=4 7311 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,1,0,0,0,0|3,0,0]=4 7312 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,1,0,0,0,0|3,0,0]=4 7313 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,1,0,0,0,0|3,0,0]=4 7314 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,1,0,0,0,0|3,0,0]=4 7315 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,1,0,0,0,0|3,0,0]=4 7316 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,1,0,0,0,0|3,0,0]=4 7317 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,1,0,0,0,0|3,0,0]=4 7318 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,1,0,0,0,0|3,0,0]=4 7319 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,1,0,0,0,0|3,0,0]=4 7320 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,1,0,0,0,0|3,0,0]=4 7321 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,1,0,0,0,0|3,0,0]=4 7322 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,1,0,0,0,0|3,0,0]=4 7323 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,1,0,0,0,0|3,0,0]=4 7324 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,1,0,0,0,0|3,0,0]=4 7325 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,1,0,0,0,0|3,0,0]=4 7326 B12R1.267 OCCNCc1ncccc1Br 207a_100000210304_100011934733 [0,1,0,0,0,0|2,0,0]=3 7327 B12R1.267 OCCNCc1ncccc1Br 2230a_100016997473_100025702911 [0,1,0,0,0,0|2,0,0]=3 7328 B12R1.267 OCCNCc1ncccc1Br 270004a_100000210304_100011934733 [0,1,0,0,0,0|2,0,0]=3 7329 B12R1.267 OCCNCc1ncccc1Br 34a_100016990907_100025702911 [0,1,0,0,0,0|2,0,0]=3 7330 B12R1.267 OCCNCc1ncccc1Cl 207a_100000210304_100012001307 [0,1,0,0,0,0|2,0,0]=3 7331 B12R1.267 OCCNCc1ncccc1Cl 2230a_100015189233_100000211926 [0,1,0,0,0,0|2,0,0]=3 7332 B12R1.267 OCCNCc1ncccc1Cl 2230a_100016997473_100000099807 [0,1,0,0,0,0|2,0,0]=3 7333 B12R1.267 OCCNCc1ncccc1Cl 270004a_100000210304_100012001307 [0,1,0,0,0,0|2,0,0]=3 7334 B12R1.267 OCCNCc1ncccc1F 207a_100000210304_100011934734 [0,1,0,0,0,0|2,0,0]=3 7335 B12R1.267 OCCNCc1ncccc1F 2230a_100016997473_100000104219 [0,1,0,0,0,0|2,0,0]=3 7336 B12R1.267 OCCNCc1ncccc1F 270004a_100000210304_100011934734 [0,1,0,0,0,0|2,0,0]=3 7337 B12R1.267 OCCNCc1ncccc1F 34a_100000690088_100000211926 [0,1,0,0,0,0|2,0,0]=3 7338 B12R1.267 OCCNCc1ncccc1F 34a_100016990907_100000104219 [0,1,0,0,0,0|2,0,0]=3 7339 B12R1.267 OCCNCc1ncccc1O 34a_100016990907_200020655725 [0,1,0,0,0,0|2,0,0]=3 7340 B12R1.267 OCCNCc1nccnc1Cl 2230a_100000729963_100000211926 [0,1,0,0,0,0|3,0,0]=4 7341 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,1,0,0,0,0|3,0,0]=4 7342 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,1,0,0,0,0|3,0,0]=4 7343 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,1,0,0,0,0|3,0,0]=4 7344 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,1,0,0,0,0|3,0,0]=4 7345 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,1,0,0,0,0|3,0,0]=4 7346 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,1,0,0,0,0|3,0,0]=4 7347 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,1,0,0,0,0|3,0,0]=4 7348 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,1,0,0,0,0|3,0,0]=4 7349 B12R1.267 OCCOCc1ncccc1Br 34a_100011996772_100000211926 [0,1,0,0,0,0|2,0,0]=3 7350 B12R1.267 OCCOCc1ncccc1Cl 34a_100012002383_100000211926 [0,1,0,0,0,0|2,0,0]=3 7351 B12R1.267 OCCOCc1ncccc1F 34a_100011934865_100000211926 [0,1,0,0,0,0|2,0,0]=3 7352 B12R1.267 OCCOCc1nccnc1Cl 34a_100000057004_100000211926 [0,1,0,0,0,0|3,0,0]=4 7353 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [0,1,0,0,0,0|3,0,0]=4 7354 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [0,1,0,0,0,0|3,0,0]=4 7355 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [0,1,0,0,0,0|3,0,0]=4 7356 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [0,1,0,0,0,0|3,0,0]=4 7357 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [0,1,0,0,0,0|3,0,0]=4 7358 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [0,1,0,0,0,0|3,0,0]=4 7359 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [0,1,0,0,0,0|3,0,0]=4 7360 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [0,1,0,0,0,0|3,0,0]=4 7361 B12R1.267 OCCSCc1ncccc1Br 62a_100000211926_100025702911 [0,1,0,0,0,0|2,0,0]=3 7362 B12R1.267 OCCSCc1ncccc1Br 62a_100025702911_100000211926 [0,1,0,0,0,0|2,0,0]=3 7363 B12R1.267 OCCSCc1ncccc1Cl 62a_100000099807_100000211926 [0,1,0,0,0,0|2,0,0]=3 7364 B12R1.267 OCCSCc1ncccc1Cl 62a_100000211926_100000099807 [0,1,0,0,0,0|2,0,0]=3 7365 B12R1.267 OCCSCc1ncccc1F 62a_100000104219_100000211926 [0,1,0,0,0,0|2,0,0]=3 7366 B12R1.267 OCCSCc1ncccc1F 62a_100000211926_100000104219 [0,1,0,0,0,0|2,0,0]=3 7367 B12R1.267 OCCSCc1ncccc1O 62a_100000211926_200020655725 [0,1,0,0,0,0|2,0,0]=3 7368 B12R1.267 OCCSCc1ncccc1O 62a_200020655725_100000211926 [0,1,0,0,0,0|2,0,0]=3 7369 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,1,0,0,0,0|3,0,0]=4 7370 B12R1.267 Oc1ccccc1CCSCF 62a_100000722297_100015361967 [0,1,0,0,0,0|3,0,0]=4 7371 B12R1.267 Oc1ccccc1CCSCF 62a_100015361967_100000722297 [0,1,0,0,0,0|3,0,0]=4 7372 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [0,1,0,0,0,0|3,0,0]=4 7373 B12R1.267 Oc1ccccc1NCCCF 34a_100000185747_100011934791 [0,1,0,0,0,0|3,0,0]=4 7374 B12R1.267 Oc1ccccc1SCCCF 62a_100000739446_100011934791 [0,1,0,0,0,0|3,0,0]=4 7375 B12R1.267 Oc1ccccc1SCCCF 62a_100011934791_100000739446 [0,1,0,0,0,0|3,0,0]=4 7376 B12R1.267 Oc1cccnc1CNCCF 34a_100000724931_200020655725 [0,1,0,0,0,0|2,0,0]=3 7377 B12R1.267 Oc1cccnc1COCCBr 34a_100000211926_200020655725 [0,1,0,0,0,0|2,0,0]=3 7378 B12R1.267 Oc1cccnc1CSCCF 62a_100011217306_200020655725 [0,1,0,0,0,0|2,0,0]=3 7379 B12R1.267 Oc1cccnc1CSCCF 62a_200020655725_100011217306 [0,1,0,0,0,0|2,0,0]=3 7380 B12R1.267 Oc1cccnc1SCCCF 62a_100000034122_100011934791 [0,1,0,0,0,0|2,0,0]=3 7381 B12R1.267 Oc1cccnc1SCCCF 62a_100011934791_100000034122 [0,1,0,0,0,0|2,0,0]=3 7382 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,1,0,0,0,0|2,0,0]=3 7383 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,1,0,0,0,0|2,0,0]=3 7384 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,1,0,0,0,0|3,0,0]=4 7385 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,1,0,0,0,0|3,0,0]=4 7386 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,1,0,0,0,0|3,0,0]=4 7387 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,1,0,0,0,0|3,0,0]=4 7388 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,1,0,0,0,0|3,0,0]=4 7389 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,1,0,0,0,0|3,0,0]=4 7390 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,1,0,0,0,0|2,0,0]=3 7391 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,1,0,0,0,0|2,0,0]=3 7392 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,1,0,0,0,0|2,0,0]=3 7393 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,1,0,0,0,0|2,0,0]=3 7394 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,1,0,0,0,0|2,0,0]=3 7395 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,1,0,0,0,0|2,0,0]=3 7396 B12R1.267 [13CH3]OCCNc1ccccc1N 34a_100000683943_200025704644 [0,1,0,0,0,0|3,0,0]=4 7397 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,1,0,0,0,0|3,0,0]=4 7398 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,1,0,0,0,0|3,0,0]=4 7399 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,1,0,0,0,0|3,0,0]=4 7400 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,1,0,0,0,0|3,0,0]=4 7401 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,1,0,0,0,0|3,0,0]=4 7402 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,1,0,0,0,0|3,0,0]=4 7403 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,1,0,0,0,0|3,0,0]=4 7404 B12R1.267 [13CH3]OCCSc1ccccc1Br 34a_200000230852_200025704644 [0,1,0,0,0,0|3,0,0]=4 7405 B12R1.267 [13CH3]OCCSc1ccccc1Br 7a_200000230852_200025704644 [0,1,0,0,0,0|3,0,0]=4 7406 B12R1.267 [13CH3]OCCSc1ccccc1Cl 34a_200000230572_200025704644 [0,1,0,0,0,0|3,0,0]=4 7407 B12R1.267 [13CH3]OCCSc1ccccc1Cl 7a_200000230572_200025704644 [0,1,0,0,0,0|3,0,0]=4 7408 B12R1.267 [13CH3]OCCSc1ccccc1F 34a_200000230732_200025704644 [0,1,0,0,0,0|3,0,0]=4 7409 B12R1.267 [13CH3]OCCSc1ccccc1F 7a_200000230732_200025704644 [0,1,0,0,0,0|3,0,0]=4 7410 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,1,0,0,0,0|2,0,0]=3 7411 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,1,0,0,0,0|2,0,0]=3 7412 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,1,0,0,0,0|3,0,0]=4 7413 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,1,0,0,0,0|3,0,0]=4 7414 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,1,0,0,0,0|3,0,0]=4 7415 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,1,0,0,0,0|3,0,0]=4 7416 B12R1.267 [O-][n+]1ccccc1OCCCF 7a_100000211761_100011934791 [0,1,0,0,0,0|2,0,1]=4 7417 B12R1.267 [O-][n+]1ccccc1OCCCO 7a_100000211761_100011215043 [0,1,0,0,0,0|2,0,1]=4 7418 B12R1.267 [O-][n+]1ccccc1SCCCF 62a_100011934791_200000042595 [0,1,0,0,0,0|2,0,1]=4 7419 B12R1.267 [O-][n+]1ccccc1SCCCO 62a_100011215043_200000042595 [0,1,0,0,0,0|2,0,1]=4 7420 B10R0.24 C=CCC(C=C)OCCCC 34a_100000038011_100000210210 [0,0,1,0,0,0|2,0,1]=4 7421 B10R0.24 C=CCC(C=C)OCCCC 7a_100000038011_100000210211 [0,0,1,0,0,0|2,0,1]=4 7422 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [0,0,1,0,0,0|2,0,1]=4 7423 B10R0.71 CC=CC=CC=NNCCC 4a_100000740057_100000691131 [0,0,1,0,0,0|3,0,0]=4 7424 B10R0.91 C#CCCCC(=O)C=CC=C 1458a_100016291481_100000731252 [0,0,1,0,0,0|1,0,2]=4 7425 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,0,1,0,0,0|1,0,2]=4 7426 B10R0.91 C=CC=CC(=O)C/C=C\CC 1458a_100016291481_100103147603 [0,0,1,0,0,0|1,0,2]=4 7427 B10R0.91 C=CC=CC(=O)CC#CCC 1458a_100016291481_100009813939 [0,0,1,0,0,0|1,0,2]=4 7428 B10R0.91 C=CC=CC(=O)CCCC#N 1458a_100016291481_100000211468 [0,0,1,0,0,0|2,0,1]=4 7429 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,0,1,0,0,0|1,0,2]=4 7430 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,0,1,0,0,0|1,0,0]=2 7431 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,0,1,0,0,0|2,0,0]=3 7432 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,0,1,0,0,0|2,0,0]=3 7433 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,0,1,0,0,0|2,0,0]=3 7434 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,0,1,0,0,0|2,0,0]=3 7435 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,0,1,0,0,0|2,0,0]=3 7436 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,0,1,0,0,0|2,0,0]=3 7437 B10R0.91 C=CC=CC(=O)NCCCF 1626a_100015189416_100016291481 [0,0,1,0,0,0|3,0,0]=4 7438 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [0,0,1,0,0,0|3,0,0]=4 7439 B10R0.91 C=CC=CC(=O)NCCSC 1626a_100020590264_100016291481 [0,0,1,0,0,0|3,0,0]=4 7440 B10R0.91 C=CC=CC(=O)NNCCC 22a_100000740057_100016291481 [0,0,1,0,0,0|3,0,0]=4 7441 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,0,1,0,0,0|1,0,2]=4 7442 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,0,1,0,0,0|1,0,2]=4 7443 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,0,1,0,0,0|1,0,2]=4 7444 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,0,1,0,0,0|1,0,2]=4 7445 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,0,1,0,0,0|1,0,2]=4 7446 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,0,1,0,0,0|1,0,2]=4 7447 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,0,1,0,0,0|1,0,2]=4 7448 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,0,1,0,0,0|1,0,2]=4 7449 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,0,1,0,0,0|2,0,1]=4 7450 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,0,0,1,0,0|2,0,0]=3 7451 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,0,0,1,0,0|2,0,0]=3 7452 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,0,0,1,0,0|3,0,0]=4 7453 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,0,0,1,0,0|2,0,0]=3 7454 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,0,0,1,0,0|2,0,0]=3 7455 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,0,0,1,0,0|2,0,0]=3 7456 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,0,0,1,0,0|2,0,0]=3 7457 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,0,0,1,0,0|2,0,0]=3 7458 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,0,0,1,0,0|3,0,0]=4 7459 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,0,0,1,0,0|2,0,0]=3 7460 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,0,0,1,0,0|2,0,0]=3 7461 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,0,0,1,0,0|2,0,0]=3 7462 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,0,0,1,0,0|2,0,0]=3 7463 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,0,0,1,0,0|2,0,0]=3 7464 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,1,0,0|1,0,2]=4 7465 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [0,0,0,1,0,0|0,0,2]=3 7466 B12R2.2 C1=C(CCC1)c2cccnn2 271570a_100000089523_100016991348 [0,0,0,1,0,0|1,0,2]=4 7467 B12R2.2 C1=C(CCC1)c2ccncn2 271570a_100000089523_100000703185 [0,0,0,1,0,0|1,0,2]=4 7468 B12R2.2 C1=C(CCC1)c2cnccn2 271570a_100000089523_100000758340 [0,0,0,1,0,0|1,0,2]=4 7469 B12R2.2 C1=C(CCC1)c2ncccn2 271570a_100000089523_100000211032 [0,0,0,1,0,0|1,0,2]=4 7470 B12R2.2 C1=C(CCO1)c2ccccn2 271570a_100000118173_100011216584 [0,0,0,1,0,0|1,0,2]=4 7471 B12R2.2 C1=C(COC1)c2ccccn2 271570a_100009872500_100011216584 [0,0,0,1,0,0|1,0,2]=4 7472 B12R2.2 c1cc(ncn1)N2CCCC2 27a_100000188435_100000703185 [0,0,0,1,0,0|2,0,0]=3 7473 B12R2.2 c1cc(ncn1)N2CCSC2 27a_100011215254_100000703185 [0,0,0,1,0,0|3,0,0]=4 7474 B12R2.2 c1cnc(cn1)N2CCCC2 27a_100000188435_100000211759 [0,0,0,1,0,0|2,0,0]=3 7475 B12R2.2 c1cnc(cn1)N2CCSC2 27a_100011215254_100000211759 [0,0,0,1,0,0|3,0,0]=4 7476 B12R2.2 c1cnc(nc1)N2CCCC2 27a_100000188435_100000211032 [0,0,0,1,0,0|2,0,0]=3 7477 B12R2.2 c1cnc(nc1)N2CCSC2 27a_100011215254_100000211032 [0,0,0,1,0,0|3,0,0]=4 7478 B12R2.2 c1cnnc(c1)N2CCCC2 27a_100000188435_100016991348 [0,0,0,1,0,0|2,0,0]=3 7479 B12R2.2 c1cnnc(c1)N2CCSC2 27a_100011215254_100016991348 [0,0,0,1,0,0|3,0,0]=4 7480 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 7481 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 7482 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 7483 B12R2.11 F[C@@H]1C[C@H]1Nc2cccnn2 27a_100025746932_100016991348 [0,0,0,1,0,0|3,0,0]=4 7484 B12R2.11 F[C@@H]1C[C@H]1Nc2ccncn2 27a_100025746932_100000703185 [0,0,0,1,0,0|3,0,0]=4 7485 B12R2.11 F[C@@H]1C[C@H]1Nc2cnccn2 27a_100025746932_100000211759 [0,0,0,1,0,0|3,0,0]=4 7486 B12R2.11 F[C@@H]1C[C@H]1Nc2ncccn2 27a_100025746932_100000211032 [0,0,0,1,0,0|3,0,0]=4 7487 B12R2.11 F[C@H]1C[C@H]1Nc2cccnn2 27a_100015190264_100016991348 [0,0,0,1,0,0|3,0,0]=4 7488 B12R2.11 F[C@H]1C[C@H]1Nc2ccncn2 27a_100015190264_100000703185 [0,0,0,1,0,0|3,0,0]=4 7489 B12R2.11 F[C@H]1C[C@H]1Nc2cnccn2 27a_100015190264_100000211759 [0,0,0,1,0,0|3,0,0]=4 7490 B12R2.11 F[C@H]1C[C@H]1Nc2ncccn2 27a_100015190264_100000211032 [0,0,0,1,0,0|3,0,0]=4 7491 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 7492 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 7493 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 7494 B12R2.23 CC1CCN1c2cccnn2 27a_100000755817_100016991348 [0,0,0,1,0,0|2,0,0]=3 7495 B12R2.23 CC1CCN1c2ccncn2 27a_100000755817_100000703185 [0,0,0,1,0,0|2,0,0]=3 7496 B12R2.23 CC1CCN1c2cnccn2 27a_100000755817_100000211759 [0,0,0,1,0,0|2,0,0]=3 7497 B12R2.23 CC1CCN1c2ncccn2 27a_100000755817_100000211032 [0,0,0,1,0,0|2,0,0]=3 7498 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,0,0|2,0,0]=3 7499 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,0,0|2,0,0]=3 7500 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,0,0|2,0,0]=3 7501 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,0,0|2,0,0]=3 7502 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,0|2,0,0]=3 7503 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,0|2,0,0]=3 7504 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,0|2,0,0]=3 7505 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,0|2,0,0]=3 7506 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,0,1,0,0|2,0,0]=3 7507 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,0,1,0,0|2,0,0]=3 7508 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,0,0,1,0,0|2,0,0]=3 7509 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,0,0,1,0,0|2,0,0]=3 7510 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,0,0,1,0,0|3,0,0]=4 7511 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,0,0,1,0,0|3,0,0]=4 7512 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,0,0,1,0,0|2,0,0]=3 7513 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,0,0,1,0,0|2,0,0]=3 7514 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [0,0,0,1,0,0|1,0,2]=4 7515 B12R2.2057 C(#CC1CC1)c2ccccn2 271570a_200009880635_100011216584 [0,0,0,1,0,0|0,0,2]=3 7516 B12R2.2057 C(#CC1CC1)c2cccnn2 271570a_200009880635_100016991348 [0,0,0,1,0,0|1,0,2]=4 7517 B12R2.2057 C(#CC1CC1)c2ccncn2 271570a_200009880635_100000703185 [0,0,0,1,0,0|1,0,2]=4 7518 B12R2.2057 C(#CC1CC1)c2cnccn2 271570a_200009880635_100000758340 [0,0,0,1,0,0|1,0,2]=4 7519 B12R2.2057 C(#CC1CC1)c2ncccn2 271570a_200009880635_100000211032 [0,0,0,1,0,0|1,0,2]=4 7520 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,0,0,1,0,0|1,0,2]=4 7521 B12R2.2057 C(=CC1CC1)c2ccccn2 271570a_100102526188_100011216584 [0,0,0,1,0,0|0,0,2]=3 7522 B12R2.2057 C(=CC1CC1)c2cccnn2 271570a_100102526188_100016991348 [0,0,0,1,0,0|1,0,2]=4 7523 B12R2.2057 C(=CC1CC1)c2ccncn2 271570a_100102526188_100000703185 [0,0,0,1,0,0|1,0,2]=4 7524 B12R2.2057 C(=CC1CC1)c2cnccn2 271570a_100102526188_100000758340 [0,0,0,1,0,0|1,0,2]=4 7525 B12R2.2057 C(=CC1CC1)c2ncccn2 271570a_100102526188_100000211032 [0,0,0,1,0,0|1,0,2]=4 7526 B12R2.2057 c1cc(ccn1)CSC2CC2 62a_100015193705_100000211595 [0,0,0,1,0,0|3,0,0]=4 7527 B12R2.2057 c1cc(ccn1)OCC2CC2 34a_100000212176_100000742324 [0,0,0,1,0,0|3,0,0]=4 7528 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000728582_100000742324 [0,0,0,1,0,0|3,0,0]=4 7529 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000756562_100000728582 [0,0,0,1,0,0|3,0,0]=4 7530 B12R2.2057 c1cc(ncn1)NCC2CC2 27a_100000735609_100000703185 [0,0,0,1,0,0|2,0,0]=3 7531 B12R2.2057 c1cc(ncn1)SCC2CC2 62a_100000703185_100000742324 [0,0,0,1,0,0|2,0,0]=3 7532 B12R2.2057 c1cc(ncn1)SCC2CC2 62a_100000756562_100000703185 [0,0,0,1,0,0|2,0,0]=3 7533 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_100000703185_102125554688 [0,0,0,1,0,0|3,0,0]=4 7534 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_102125554688_100000703185 [0,0,0,1,0,0|3,0,0]=4 7535 B12R2.2057 c1cc(ncn1)SCC2CS2 62a_100000031435_100000703185 [0,0,0,1,0,0|3,0,0]=4 7536 B12R2.2057 c1cc(ncn1)SCC2CS2 62a_100000703185_100000031435 [0,0,0,1,0,0|3,0,0]=4 7537 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000703185_100000745022 [0,0,0,1,0,0|3,0,0]=4 7538 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000745022_100000703185 [0,0,0,1,0,0|3,0,0]=4 7539 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,0,0,1,0,0|2,0,0]=3 7540 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,0,0,1,0,0|2,0,0]=3 7541 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,0,1,0,0|2,0,0]=3 7542 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,0,0,1,0,0|2,0,0]=3 7543 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,0,0,1,0,0|2,0,0]=3 7544 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,0,0,1,0,0|3,0,0]=4 7545 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,0,0,1,0,0|2,0,0]=3 7546 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,0,0,1,0,0|2,0,0]=3 7547 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,0,0,1,0,0|3,0,0]=4 7548 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,0,0,1,0,0|3,0,0]=4 7549 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,0,0,1,0,0|3,0,0]=4 7550 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,0,0,1,0,0|3,0,0]=4 7551 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,0,0,1,0,0|2,0,0]=3 7552 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,0,0,1,0,0|2,0,0]=3 7553 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,0,0,1,0,0|3,0,0]=4 7554 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,0,0,1,0,0|3,0,0]=4 7555 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [0,0,0,1,0,0|3,0,0]=4 7556 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [0,0,0,1,0,0|3,0,0]=4 7557 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,0,0,1,0,0|3,0,0]=4 7558 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,0,0,1,0,0|3,0,0]=4 7559 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,0,0,1,0,0|1,0,0]=2 7560 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,0,0,1,0,0|1,0,0]=2 7561 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [0,0,0,1,0,0|1,0,0]=2 7562 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [0,0,0,1,0,0|1,0,0]=2 7563 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [0,0,0,1,0,0|2,0,0]=3 7564 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [0,0,0,1,0,0|2,0,0]=3 7565 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100000031435_100011216584 [0,0,0,1,0,0|2,0,0]=3 7566 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100011216584_100000031435 [0,0,0,1,0,0|2,0,0]=3 7567 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [0,0,0,1,0,0|2,0,0]=3 7568 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [0,0,0,1,0,0|2,0,0]=3 7569 B12R2.2057 c1cnc(cn1)CNC2CC2 34a_100000212008_100016995436 [0,0,0,1,0,0|2,0,0]=3 7570 B12R2.2057 c1cnc(cn1)CSC2CC2 62a_100016995436_100000211595 [0,0,0,1,0,0|2,0,0]=3 7571 B12R2.2057 c1cnc(cn1)NCC2CC2 27a_100000735609_100000211759 [0,0,0,1,0,0|2,0,0]=3 7572 B12R2.2057 c1cnc(cn1)SCC2CC2 62a_100000211759_100000742324 [0,0,0,1,0,0|2,0,0]=3 7573 B12R2.2057 c1cnc(cn1)SCC2CC2 62a_100000756562_100000211759 [0,0,0,1,0,0|2,0,0]=3 7574 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_100000211759_102125554688 [0,0,0,1,0,0|3,0,0]=4 7575 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_102125554688_100000211759 [0,0,0,1,0,0|3,0,0]=4 7576 B12R2.2057 c1cnc(cn1)SCC2CS2 62a_100000031435_100000211759 [0,0,0,1,0,0|3,0,0]=4 7577 B12R2.2057 c1cnc(cn1)SCC2CS2 62a_100000211759_100000031435 [0,0,0,1,0,0|3,0,0]=4 7578 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000211759_100000745022 [0,0,0,1,0,0|3,0,0]=4 7579 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000745022_100000211759 [0,0,0,1,0,0|3,0,0]=4 7580 B12R2.2057 c1cnc(nc1)CNC2CC2 34a_100000212008_100000703007 [0,0,0,1,0,0|2,0,0]=3 7581 B12R2.2057 c1cnc(nc1)CSC2CC2 62a_100000703007_100000211595 [0,0,0,1,0,0|2,0,0]=3 7582 B12R2.2057 c1cnc(nc1)NCC2CC2 27a_100000735609_100000211032 [0,0,0,1,0,0|2,0,0]=3 7583 B12R2.2057 c1cnc(nc1)SCC2CC2 62a_100000211032_100000742324 [0,0,0,1,0,0|2,0,0]=3 7584 B12R2.2057 c1cnc(nc1)SCC2CC2 62a_100000756562_100000211032 [0,0,0,1,0,0|2,0,0]=3 7585 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_100000211032_102125554688 [0,0,0,1,0,0|3,0,0]=4 7586 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_102125554688_100000211032 [0,0,0,1,0,0|3,0,0]=4 7587 B12R2.2057 c1cnc(nc1)SCC2CS2 62a_100000031435_100000211032 [0,0,0,1,0,0|3,0,0]=4 7588 B12R2.2057 c1cnc(nc1)SCC2CS2 62a_100000211032_100000031435 [0,0,0,1,0,0|3,0,0]=4 7589 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000211032_100000745022 [0,0,0,1,0,0|3,0,0]=4 7590 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000745022_100000211032 [0,0,0,1,0,0|3,0,0]=4 7591 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [0,0,0,1,0,0|3,0,0]=4 7592 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [0,0,0,1,0,0|3,0,0]=4 7593 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [0,0,0,1,0,0|3,0,0]=4 7594 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [0,0,0,1,0,0|3,0,0]=4 7595 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000210063_100000742324 [0,0,0,1,0,0|3,0,0]=4 7596 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000756562_100000210063 [0,0,0,1,0,0|3,0,0]=4 7597 B12R2.2057 c1cnnc(c1)CNC2CC2 34a_100000212008_100016990269 [0,0,0,1,0,0|2,0,0]=3 7598 B12R2.2057 c1cnnc(c1)CSC2CC2 62a_100016990269_100000211595 [0,0,0,1,0,0|2,0,0]=3 7599 B12R2.2057 c1cnnc(c1)NCC2CC2 27a_100000735609_100016991348 [0,0,0,1,0,0|2,0,0]=3 7600 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100000756562_100016991348 [0,0,0,1,0,0|2,0,0]=3 7601 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100016991348_100000742324 [0,0,0,1,0,0|2,0,0]=3 7602 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_100016991348_102125554688 [0,0,0,1,0,0|3,0,0]=4 7603 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_102125554688_100016991348 [0,0,0,1,0,0|3,0,0]=4 7604 B12R2.2057 c1cnnc(c1)SCC2CS2 62a_100000031435_100016991348 [0,0,0,1,0,0|3,0,0]=4 7605 B12R2.2057 c1cnnc(c1)SCC2CS2 62a_100016991348_100000031435 [0,0,0,1,0,0|3,0,0]=4 7606 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100000745022_100016991348 [0,0,0,1,0,0|3,0,0]=4 7607 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100016991348_100000745022 [0,0,0,1,0,0|3,0,0]=4 7608 B12R2.2058 c1cc(ccn1)CN2CCC2 269982a_100000754969_100015193705 [0,0,0,1,0,0|3,0,0]=4 7609 B12R2.2058 c1cc(ccn1)OC2CCC2 34a_100000212176_100000749161 [0,0,0,1,0,0|3,0,0]=4 7610 B12R2.2058 c1cc(ccn1)SC2CCC2 62a_100000728582_100000749161 [0,0,0,1,0,0|3,0,0]=4 7611 B12R2.2058 c1cc(ncn1)NC2CCC2 27a_100000749019_100000703185 [0,0,0,1,0,0|2,0,0]=3 7612 B12R2.2058 c1cc(ncn1)NC2COC2 27a_100016991112_100000703185 [0,0,0,1,0,0|3,0,0]=4 7613 B12R2.2058 c1cc(ncn1)NC2CSC2 27a_100016994217_100000703185 [0,0,0,1,0,0|3,0,0]=4 7614 B12R2.2058 c1cc(ncn1)SC2CCC2 62a_100000703185_100000749161 [0,0,0,1,0,0|2,0,0]=3 7615 B12R2.2058 c1cc(ncn1)SC2COC2 62a_100000703185_100009818527 [0,0,0,1,0,0|3,0,0]=4 7616 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,0,0,1,0,0|2,0,0]=3 7617 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,0,0,1,0,0|2,0,0]=3 7618 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,0,0,1,0,0|3,0,0]=4 7619 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,0,0,1,0,0|2,0,0]=3 7620 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,0,0,1,0,0|3,0,0]=4 7621 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,0,0,1,0,0|3,0,0]=4 7622 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,0,0,1,0,0|2,0,0]=3 7623 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,0,0,1,0,0|3,0,0]=4 7624 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,0,0,1,0,0|1,0,0]=2 7625 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [0,0,0,1,0,0|1,0,0]=2 7626 B12R2.2058 c1ccc(nc1)SC2COC2 62a_100011216584_100009818527 [0,0,0,1,0,0|2,0,0]=3 7627 B12R2.2058 c1cnc(cn1)CN2CCC2 269982a_100000754969_100016995436 [0,0,0,1,0,0|2,0,0]=3 7628 B12R2.2058 c1cnc(cn1)NC2CCC2 27a_100000749019_100000211759 [0,0,0,1,0,0|2,0,0]=3 7629 B12R2.2058 c1cnc(cn1)NC2COC2 27a_100016991112_100000211759 [0,0,0,1,0,0|3,0,0]=4 7630 B12R2.2058 c1cnc(cn1)NC2CSC2 27a_100016994217_100000211759 [0,0,0,1,0,0|3,0,0]=4 7631 B12R2.2058 c1cnc(cn1)SC2CCC2 62a_100000211759_100000749161 [0,0,0,1,0,0|2,0,0]=3 7632 B12R2.2058 c1cnc(cn1)SC2COC2 62a_100000211759_100009818527 [0,0,0,1,0,0|3,0,0]=4 7633 B12R2.2058 c1cnc(nc1)CN2CCC2 269982a_100000754969_100000703007 [0,0,0,1,0,0|2,0,0]=3 7634 B12R2.2058 c1cnc(nc1)NC2CCC2 27a_100000749019_100000211032 [0,0,0,1,0,0|2,0,0]=3 7635 B12R2.2058 c1cnc(nc1)NC2COC2 27a_100016991112_100000211032 [0,0,0,1,0,0|3,0,0]=4 7636 B12R2.2058 c1cnc(nc1)NC2CSC2 27a_100016994217_100000211032 [0,0,0,1,0,0|3,0,0]=4 7637 B12R2.2058 c1cnc(nc1)SC2CCC2 62a_100000211032_100000749161 [0,0,0,1,0,0|2,0,0]=3 7638 B12R2.2058 c1cnc(nc1)SC2COC2 62a_100000211032_100009818527 [0,0,0,1,0,0|3,0,0]=4 7639 B12R2.2058 c1cncc(c1)CN2CCC2 269982a_100000754969_100000733263 [0,0,0,1,0,0|3,0,0]=4 7640 B12R2.2058 c1cncc(c1)OC2CCC2 34a_100000210849_100000749161 [0,0,0,1,0,0|3,0,0]=4 7641 B12R2.2058 c1cncc(c1)SC2CCC2 62a_100000210063_100000749161 [0,0,0,1,0,0|3,0,0]=4 7642 B12R2.2058 c1cnnc(c1)NC2CCC2 27a_100000749019_100016991348 [0,0,0,1,0,0|2,0,0]=3 7643 B12R2.2058 c1cnnc(c1)NC2COC2 27a_100016991112_100016991348 [0,0,0,1,0,0|3,0,0]=4 7644 B12R2.2058 c1cnnc(c1)NC2CSC2 27a_100016994217_100016991348 [0,0,0,1,0,0|3,0,0]=4 7645 B12R2.2058 c1cnnc(c1)SC2CCC2 62a_100016991348_100000749161 [0,0,0,1,0,0|2,0,0]=3 7646 B12R2.2058 c1cnnc(c1)SC2COC2 62a_100016991348_100009818527 [0,0,0,1,0,0|3,0,0]=4 7647 B10R1.21 BrCCOCc1c[nH]cn1 34a_100000211926_100000707719 [0,0,0,0,1,0|3,0,0]=4 7648 B10R1.21 BrCCOCc1ccon1 34a_100000211926_100000234950 [0,0,0,0,1,0|3,0,0]=4 7649 B10R1.21 BrCCOCc1ccsc1 34a_100000211926_100011261437 [0,0,0,0,1,0|3,0,0]=4 7650 B10R1.21 BrCCOCc1cscn1 34a_100000211926_100000205941 [0,0,0,0,1,0|3,0,0]=4 7651 B10R1.21 BrCCOCc1ncc[nH]1 34a_100000211926_100016991755 [0,0,0,0,1,0|3,0,0]=4 7652 B10R1.21 BrCCOCc1ncco1 34a_100000211926_103436540062 [0,0,0,0,1,0|3,0,0]=4 7653 B10R1.21 BrCCOCc1nccs1 34a_100000211926_100015184050 [0,0,0,0,1,0|3,0,0]=4 7654 B10R1.21 CCCC=Cc1c[nH]cn1 271570a_100016258520_100000756875 [0,0,0,0,1,0|1,0,2]=4 7655 B10R1.21 CCCC=Cc1cc[nH]n1 271570a_100016258520_100000062575 [0,0,0,0,1,0|1,0,2]=4 7656 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [0,0,0,0,1,0|1,0,2]=4 7657 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [0,0,0,0,1,0|1,0,2]=4 7658 B10R1.21 CCCC=Cc1ccoc1 271570a_100016258520_100011215275 [0,0,0,0,1,0|1,0,2]=4 7659 B10R1.21 CCCC=Cc1ccsc1 271570a_100016258520_100000738268 [0,0,0,0,1,0|1,0,2]=4 7660 B10R1.21 CCCC=Cc1ccsn1 271570a_100016258520_100009818082 [0,0,0,0,1,0|1,0,2]=4 7661 B10R1.21 CCCC=Cc1cscn1 271570a_100016258520_100000751502 [0,0,0,0,1,0|1,0,2]=4 7662 B10R1.21 CCCC=Cc1ncc[nH]1 271570a_100016258520_100025796157 [0,0,0,0,1,0|1,0,2]=4 7663 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [0,0,0,0,1,0|1,0,2]=4 7664 B10R1.21 CCCC=Cc1nccs1 271570a_100016258520_100000211983 [0,0,0,0,1,0|1,0,2]=4 7665 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,0,0,0,1,0|1,0,2]=4 7666 B10R1.21 CCCCNc1ncns1 27a_100000102301_100000693119 [0,0,0,0,1,0|3,0,0]=4 7667 B10R1.21 CCCCNc1nncs1 27a_100000102301_100000739804 [0,0,0,0,1,0|3,0,0]=4 7668 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,0,0,0,1,0|2,0,0]=3 7669 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,0,0,0,1,0|2,0,0]=3 7670 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [0,0,0,0,1,0|2,0,0]=3 7671 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [0,0,0,0,1,0|2,0,0]=3 7672 B10R1.21 CCCCSc1c[nH]nn1 62a_100000210211_100009819707 [0,0,0,0,1,0|3,0,0]=4 7673 B10R1.21 CCCCSc1c[nH]nn1 62a_100009819707_100000210210 [0,0,0,0,1,0|3,0,0]=4 7674 B10R1.21 CCCCSc1cc[nH]n1 62a_100000062575_100000210210 [0,0,0,0,1,0|2,0,0]=3 7675 B10R1.21 CCCCSc1cc[nH]n1 62a_100000210211_100000062575 [0,0,0,0,1,0|2,0,0]=3 7676 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,0,0,0,1,0|2,0,0]=3 7677 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,0,0,0,1,0|2,0,0]=3 7678 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,0,0,0,1,0|2,0,0]=3 7679 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,0,0,0,1,0|2,0,0]=3 7680 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,0,0,0,1,0|2,0,0]=3 7681 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,0,0,0,1,0|2,0,0]=3 7682 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,0,0,0,1,0|2,0,0]=3 7683 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,0,0,0,1,0|2,0,0]=3 7684 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,0,0,0,1,0|2,0,0]=3 7685 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,0,0,0,1,0|2,0,0]=3 7686 B10R1.21 CCCCSc1ccsn1 62a_100000210211_100009818082 [0,0,0,0,1,0|2,0,0]=3 7687 B10R1.21 CCCCSc1ccsn1 62a_100009818082_100000210210 [0,0,0,0,1,0|2,0,0]=3 7688 B10R1.21 CCCCSc1cn[nH]c1 62a_100000210211_100000238712 [0,0,0,0,1,0|3,0,0]=4 7689 B10R1.21 CCCCSc1cn[nH]c1 62a_100000238712_100000210210 [0,0,0,0,1,0|3,0,0]=4 7690 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,0,0,0,1,0|3,0,0]=4 7691 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,0,0,0,1,0|3,0,0]=4 7692 B10R1.21 CCCCSc1cncs1 62a_100000210211_100011934649 [0,0,0,0,1,0|3,0,0]=4 7693 B10R1.21 CCCCSc1cncs1 62a_100011934649_100000210210 [0,0,0,0,1,0|3,0,0]=4 7694 B10R1.21 CCCCSc1cnoc1 62a_100000210211_100009815712 [0,0,0,0,1,0|3,0,0]=4 7695 B10R1.21 CCCCSc1cnoc1 62a_100009815712_100000210210 [0,0,0,0,1,0|3,0,0]=4 7696 B10R1.21 CCCCSc1cnsc1 62a_100000210211_100009815736 [0,0,0,0,1,0|3,0,0]=4 7697 B10R1.21 CCCCSc1cnsc1 62a_100009815736_100000210210 [0,0,0,0,1,0|3,0,0]=4 7698 B10R1.21 CCCCSc1cscn1 62a_100000210211_100000751502 [0,0,0,0,1,0|2,0,0]=3 7699 B10R1.21 CCCCSc1cscn1 62a_100000751502_100000210210 [0,0,0,0,1,0|2,0,0]=3 7700 B10R1.21 CCCCSc1nc[nH]n1 62a_100000210211_100000761765 [0,0,0,0,1,0|3,0,0]=4 7701 B10R1.21 CCCCSc1nc[nH]n1 62a_100000761765_100000210210 [0,0,0,0,1,0|3,0,0]=4 7702 B10R1.21 CCCCSc1ncc[nH]1 62a_100000210211_100025796157 [0,0,0,0,1,0|2,0,0]=3 7703 B10R1.21 CCCCSc1ncc[nH]1 62a_100025796157_100000210210 [0,0,0,0,1,0|2,0,0]=3 7704 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,0,0,0,1,0|2,0,0]=3 7705 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,0,0,0,1,0|2,0,0]=3 7706 B10R1.21 CCCCSc1nccs1 62a_100000210211_100000211983 [0,0,0,0,1,0|2,0,0]=3 7707 B10R1.21 CCCCSc1nccs1 62a_100000211983_100000210210 [0,0,0,0,1,0|2,0,0]=3 7708 B10R1.21 CCCCSc1ncns1 62a_100000210211_100000693119 [0,0,0,0,1,0|3,0,0]=4 7709 B10R1.21 CCCCSc1ncns1 62a_100000693119_100000210210 [0,0,0,0,1,0|3,0,0]=4 7710 B10R1.21 CCCCSc1nncs1 62a_100000210211_100000739804 [0,0,0,0,1,0|3,0,0]=4 7711 B10R1.21 CCCCSc1nncs1 62a_100000739804_100000210210 [0,0,0,0,1,0|3,0,0]=4 7712 B10R1.21 CCCNCc1cc[nH]n1 207a_100020643023_100000738523 [0,0,0,0,1,0|2,0,0]=3 7713 B10R1.21 CCCNCc1cc[nH]n1 270004a_100020643023_100000738523 [0,0,0,0,1,0|2,0,0]=3 7714 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,0,0,0,1,0|2,0,0]=3 7715 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,0,0,0,1,0|2,0,0]=3 7716 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,0,0,0,1,0|2,0,0]=3 7717 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,0,0,0,1,0|2,0,0]=3 7718 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,0,0,0,1,0|2,0,0]=3 7719 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,0,0,0,1,0|2,0,0]=3 7720 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,0,0,0,1,0|2,0,0]=3 7721 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,0,0,0,1,0|2,0,0]=3 7722 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,0,0,0,1,0|2,0,0]=3 7723 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,0,0,0,1,0|2,0,0]=3 7724 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,0,0,0,1,0|2,0,0]=3 7725 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,0,0,0,1,0|2,0,0]=3 7726 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,0,0,0,1,0|2,0,0]=3 7727 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,0,0,0,1,0|2,0,0]=3 7728 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,0,0,0,1,0|2,0,0]=3 7729 B10R1.21 CCCNCc1cn[nH]c1 207a_100020643023_100016992096 [0,0,0,0,1,0|3,0,0]=4 7730 B10R1.21 CCCNCc1cn[nH]c1 270004a_100020643023_100016992096 [0,0,0,0,1,0|3,0,0]=4 7731 B10R1.21 CCCNCc1cnc[nH]1 207a_100020643023_100000742939 [0,0,0,0,1,0|2,0,1]=4 7732 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,0,0,0,1,0|3,0,0]=4 7733 B10R1.21 CCCNCc1cncs1 207a_100020643023_100000749870 [0,0,0,0,1,0|3,0,0]=4 7734 B10R1.21 CCCNCc1cncs1 2230a_100016987365_100000210303 [0,0,0,0,1,0|3,0,0]=4 7735 B10R1.21 CCCNCc1cncs1 270004a_100020643023_100000749870 [0,0,0,0,1,0|3,0,0]=4 7736 B10R1.21 CCCNCc1cocn1 270004a_100020643023_100000050382 [0,0,0,0,1,0|2,0,0]=3 7737 B10R1.21 CCCNCc1cscn1 207a_100020643023_100000743575 [0,0,0,0,1,0|2,0,0]=3 7738 B10R1.21 CCCNCc1cscn1 2230a_100015185402_100000210303 [0,0,0,0,1,0|2,0,0]=3 7739 B10R1.21 CCCNCc1cscn1 270004a_100020643023_100000743575 [0,0,0,0,1,0|2,0,0]=3 7740 B10R1.21 CCCNCc1csnn1 270004a_100020643023_100000738508 [0,0,0,0,1,0|3,0,0]=4 7741 B10R1.21 CCCNCc1ncc[nH]1 207a_100020643023_100000743867 [0,0,0,0,1,0|2,0,0]=3 7742 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,0,0,0,1,0|2,0,0]=3 7743 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,0,0,0,1,0|2,0,0]=3 7744 B10R1.21 CCCNCc1nccs1 207a_100020643023_100000750902 [0,0,0,0,1,0|2,0,0]=3 7745 B10R1.21 CCCNCc1nccs1 2230a_100000740555_100000210303 [0,0,0,0,1,0|2,0,0]=3 7746 B10R1.21 CCCNCc1nccs1 270004a_100020643023_100000750902 [0,0,0,0,1,0|2,0,0]=3 7747 B10R1.21 CCCNCc1nnc[nH]1 2230a_200015183720_100000210303 [0,0,0,0,1,0|3,0,0]=4 7748 B10R1.21 CCCOCc1c[nH]cn1 34a_100000210258_100000707719 [0,0,0,0,1,0|2,0,0]=3 7749 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,0,0,0,1,0|2,0,0]=3 7750 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,0,0,0,1,0|2,0,0]=3 7751 B10R1.21 CCCOCc1ccn[nH]1 34a_100000210258_100000728653 [0,0,0,0,1,0|2,0,1]=4 7752 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,0,0,0,1,0|3,0,0]=4 7753 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,0,0,0,1,0|2,0,0]=3 7754 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,0,0,0,1,0|2,0,0]=3 7755 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,0,0,0,1,0|2,0,0]=3 7756 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,0,0,0,1,0|2,0,0]=3 7757 B10R1.21 CCCOCc1cncs1 34a_100000210258_100015185245 [0,0,0,0,1,0|3,0,0]=4 7758 B10R1.21 CCCOCc1cscn1 34a_100000210258_100000205941 [0,0,0,0,1,0|2,0,0]=3 7759 B10R1.21 CCCOCc1ncc[nH]1 34a_100000210258_100016991755 [0,0,0,0,1,0|2,0,0]=3 7760 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,0,0,0,1,0|2,0,0]=3 7761 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,0,0,0,1,0|2,0,0]=3 7762 B10R1.21 CCCOCc1nccs1 34a_100000210258_100015184050 [0,0,0,0,1,0|2,0,0]=3 7763 B10R1.21 CCCOCc1ncon1 34a_100000210258_100000233494 [0,0,0,0,1,0|3,0,0]=4 7764 B10R1.21 CCCOCn1cccn1 34a_100000731028_100000210303 [0,0,0,0,1,0|2,0,0]=3 7765 B10R1.21 CCCOCn1cncn1 34a_100000210258_200020645497 [0,0,0,0,1,0|3,0,0]=4 7766 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [0,0,0,0,1,0|2,0,0]=3 7767 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [0,0,0,0,1,0|2,0,0]=3 7768 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [0,0,0,0,1,0|2,0,1]=4 7769 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [0,0,0,0,1,0|2,0,1]=4 7770 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,0,0,0,1,0|2,0,0]=3 7771 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,0,0,0,1,0|2,0,0]=3 7772 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,0,0,0,1,0|2,0,0]=3 7773 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,0,0,0,1,0|2,0,0]=3 7774 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [0,0,0,0,1,0|3,0,0]=4 7775 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [0,0,0,0,1,0|3,0,0]=4 7776 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [0,0,0,0,1,0|2,0,0]=3 7777 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [0,0,0,0,1,0|2,0,0]=3 7778 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [0,0,0,0,1,0|2,0,0]=3 7779 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [0,0,0,0,1,0|2,0,0]=3 7780 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,0,0,0,1,0|2,0,0]=3 7781 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,0,0,0,1,0|2,0,0]=3 7782 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [0,0,0,0,1,0|2,0,0]=3 7783 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [0,0,0,0,1,0|2,0,0]=3 7784 B10R1.21 CCCSCc1ncon1 62a_100000210303_100000233494 [0,0,0,0,1,0|3,0,0]=4 7785 B10R1.21 CCCSCc1ncon1 62a_100000233494_100000210303 [0,0,0,0,1,0|3,0,0]=4 7786 B10R1.21 CCCSCn1cncn1 62a_100000210303_200020645497 [0,0,0,0,1,0|3,0,0]=4 7787 B10R1.21 CCCSCn1cncn1 62a_200020645497_100000210303 [0,0,0,0,1,0|3,0,0]=4 7788 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [0,0,0,0,1,0|2,0,0]=3 7789 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,0,0,0,1,0|2,0,0]=3 7790 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,0,0,0,1,0|2,0,0]=3 7791 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,0,0,0,1,0|2,0,0]=3 7792 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,0,0,0,1,0|2,0,0]=3 7793 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,0,0,0,1,0|2,0,0]=3 7794 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,0,0,0,1,0|2,0,0]=3 7795 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,0,0,0,1,0|2,0,0]=3 7796 B10R1.21 CCNCCc1cn[nH]c1 2230a_100000732747_100000210202 [0,0,0,0,1,0|3,0,0]=4 7797 B10R1.21 CCNCCc1cn[nH]c1 2230a_100015525214_100000743252 [0,0,0,0,1,0|3,0,0]=4 7798 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,0,0,0,1,0|3,0,0]=4 7799 B10R1.21 CCNCCc1nccs1 2230a_100015186391_100000210202 [0,0,0,0,1,0|2,0,0]=3 7800 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,0,0,0,1,0|2,0,0]=3 7801 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,0,0,0,1,0|2,0,0]=3 7802 B10R1.21 CCNCCn1cccn1 2230a_100011200920_100000210202 [0,0,0,0,1,0|2,0,0]=3 7803 B10R1.21 CCNCCn1cccn1 2230a_100015525214_100000685285 [0,0,0,0,1,0|2,0,0]=3 7804 B10R1.21 CCNCCn1cncn1 2230a_100015525214_100000731791 [0,0,0,0,1,0|3,0,0]=4 7805 B10R1.21 CCNCCn1cncn1 2230a_200000738561_100000210202 [0,0,0,0,1,0|3,0,0]=4 7806 B10R1.21 CCOCC[n+]1ccsc1 34a_200000100414_100000210202 [0,0,0,0,1,0|3,0,0]=4 7807 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,0,0,0,1,0|2,0,0]=3 7808 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,0,0,0,1,0|2,0,0]=3 7809 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,0,0,0,1,0|2,0,0]=3 7810 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,0,0,0,1,0|2,0,0]=3 7811 B10R1.21 CCOCCc1cn[nH]c1 34a_100000766553_100000210202 [0,0,0,0,1,0|3,0,0]=4 7812 B10R1.21 CCOCCc1cnoc1 34a_100000732699_100000210202 [0,0,0,0,1,0|3,0,0]=4 7813 B10R1.21 CCOCCc1ncc[nH]1 34a_103549771195_100000210202 [0,0,0,0,1,0|2,0,0]=3 7814 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [0,0,0,0,1,0|2,0,0]=3 7815 B10R1.21 CCOCCn1cccn1 34a_100000743371_100000210202 [0,0,0,0,1,0|2,0,0]=3 7816 B10R1.21 CCOCCn1cccn1 34a_100121572206_100015204718 [0,0,0,0,1,0|2,0,0]=3 7817 B10R1.21 CCOCCn1ccnc1 34a_100000719764_100000210202 [0,0,0,0,1,0|3,0,0]=4 7818 B10R1.21 CCOCCn1ccnn1 34a_100000080814_100000210202 [0,0,0,0,1,0|3,0,0]=4 7819 B10R1.21 CCOCCn1cncn1 34a_100000745309_100000210202 [0,0,0,0,1,0|3,0,0]=4 7820 B10R1.21 CCOCCn1cncn1 34a_100121572206_200000749826 [0,0,0,0,1,0|3,0,0]=4 7821 B10R1.21 CCOCSc1c[nH]cn1 62a_100000739092_100000756875 [0,0,0,0,1,0|3,0,0]=4 7822 B10R1.21 CCOCSc1c[nH]cn1 62a_100000756875_100000739092 [0,0,0,0,1,0|3,0,0]=4 7823 B10R1.21 CCOCSc1cc[nH]n1 62a_100000062575_100000739092 [0,0,0,0,1,0|3,0,0]=4 7824 B10R1.21 CCOCSc1cc[nH]n1 62a_100000739092_100000062575 [0,0,0,0,1,0|3,0,0]=4 7825 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [0,0,0,0,1,0|3,0,0]=4 7826 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [0,0,0,0,1,0|3,0,0]=4 7827 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [0,0,0,0,1,0|3,0,0]=4 7828 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [0,0,0,0,1,0|3,0,0]=4 7829 B10R1.21 CCOCSc1ccoc1 62a_100000739092_100011215275 [0,0,0,0,1,0|3,0,0]=4 7830 B10R1.21 CCOCSc1ccoc1 62a_100011215275_100000739092 [0,0,0,0,1,0|3,0,0]=4 7831 B10R1.21 CCOCSc1ccon1 62a_100000739092_100009818083 [0,0,0,0,1,0|3,0,0]=4 7832 B10R1.21 CCOCSc1ccon1 62a_100009818083_100000739092 [0,0,0,0,1,0|3,0,0]=4 7833 B10R1.21 CCOCSc1ccsc1 62a_100000738268_100000739092 [0,0,0,0,1,0|3,0,0]=4 7834 B10R1.21 CCOCSc1ccsc1 62a_100000739092_100000738268 [0,0,0,0,1,0|3,0,0]=4 7835 B10R1.21 CCOCSc1ccsn1 62a_100000739092_100009818082 [0,0,0,0,1,0|3,0,0]=4 7836 B10R1.21 CCOCSc1ccsn1 62a_100009818082_100000739092 [0,0,0,0,1,0|3,0,0]=4 7837 B10R1.21 CCOCSc1cscn1 62a_100000739092_100000751502 [0,0,0,0,1,0|3,0,0]=4 7838 B10R1.21 CCOCSc1cscn1 62a_100000751502_100000739092 [0,0,0,0,1,0|3,0,0]=4 7839 B10R1.21 CCOCSc1ncc[nH]1 62a_100000739092_100025796157 [0,0,0,0,1,0|3,0,0]=4 7840 B10R1.21 CCOCSc1ncc[nH]1 62a_100025796157_100000739092 [0,0,0,0,1,0|3,0,0]=4 7841 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [0,0,0,0,1,0|3,0,0]=4 7842 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [0,0,0,0,1,0|3,0,0]=4 7843 B10R1.21 CCOCSc1nccs1 62a_100000211983_100000739092 [0,0,0,0,1,0|3,0,0]=4 7844 B10R1.21 CCOCSc1nccs1 62a_100000739092_100000211983 [0,0,0,0,1,0|3,0,0]=4 7845 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [0,0,0,0,1,0|2,0,0]=3 7846 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [0,0,0,0,1,0|2,0,0]=3 7847 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,0,0,0,1,0|2,0,0]=3 7848 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,0,0,0,1,0|2,0,0]=3 7849 B10R1.21 CCSCCc1cn[nH]c1 62a_100000210202_100000743252 [0,0,0,0,1,0|3,0,0]=4 7850 B10R1.21 CCSCCc1cn[nH]c1 62a_100000743252_100000210202 [0,0,0,0,1,0|3,0,0]=4 7851 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [0,0,0,0,1,0|2,0,0]=3 7852 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [0,0,0,0,1,0|2,0,0]=3 7853 B10R1.21 CCSCCn1cccn1 62a_100000210202_100000685285 [0,0,0,0,1,0|2,0,0]=3 7854 B10R1.21 CCSCCn1cccn1 62a_100015204718_100000210202 [0,0,0,0,1,0|2,0,0]=3 7855 B10R1.21 CCSCCn1ccnc1 62a_100000210202_100000702546 [0,0,0,0,1,0|3,0,0]=4 7856 B10R1.21 CCSCCn1ccnc1 62a_100000702546_100000210202 [0,0,0,0,1,0|3,0,0]=4 7857 B10R1.21 CCSCCn1cncn1 62a_100000210202_100000731791 [0,0,0,0,1,0|3,0,0]=4 7858 B10R1.21 CCSCCn1cncn1 62a_100000731791_100000210202 [0,0,0,0,1,0|3,0,0]=4 7859 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,0,0,0,1,0|2,0,0]=3 7860 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,0,0,0,1,0|2,0,0]=3 7861 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,0,0,0,1,0|2,0,0]=3 7862 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,0,0,0,1,0|2,0,0]=3 7863 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,0,0,0,1,0|2,0,0]=3 7864 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,0,0,0,1,0|2,0,0]=3 7865 B10R1.21 CNCCCn1cccn1 2230a_106832991635_100000739983 [0,0,0,0,1,0|2,0,0]=3 7866 B10R1.21 CNCCCn1cccn1 7a_106832991635_100000739983 [0,0,0,0,1,0|2,0,0]=3 7867 B10R1.21 CNCCCn1ccnc1 2230a_106832991635_100000756272 [0,0,0,0,1,0|3,0,0]=4 7868 B10R1.21 CNCCCn1ccnc1 34a_100102657272_100000756272 [0,0,0,0,1,0|3,0,0]=4 7869 B10R1.21 CNCCCn1ccnc1 7a_106832991635_100000756272 [0,0,0,0,1,0|3,0,0]=4 7870 B10R1.21 CNCCCn1cncn1 2230a_106832991635_100102700105 [0,0,0,0,1,0|3,0,0]=4 7871 B10R1.21 CNCCCn1cncn1 34a_100102657272_100102700105 [0,0,0,0,1,0|3,0,0]=4 7872 B10R1.21 CNCCCn1cncn1 7a_106832991635_100102700105 [0,0,0,0,1,0|3,0,0]=4 7873 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,0,0,0,1,0|2,0,0]=3 7874 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,0,0,0,1,0|2,0,0]=3 7875 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,0,0,0,1,0|2,0,0]=3 7876 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,0,0,0,1,0|2,0,0]=3 7877 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,0,0,0,1,0|2,0,0]=3 7878 B10R1.21 COCCCc1cnoc1 34a_100011738005_200000210301 [0,0,0,0,1,0|3,0,0]=4 7879 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [0,0,0,0,1,0|2,0,0]=3 7880 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [0,0,0,0,1,0|2,0,0]=3 7881 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [0,0,0,0,1,0|2,0,0]=3 7882 B10R1.21 COCCCn1cccn1 34a_100000753614_200000210301 [0,0,0,0,1,0|2,0,0]=3 7883 B10R1.21 COCCCn1ccnc1 34a_100000240236_200000210301 [0,0,0,0,1,0|3,0,0]=4 7884 B10R1.21 COCCCn1ccnc1 34a_100138415774_100000756272 [0,0,0,0,1,0|3,0,0]=4 7885 B10R1.21 COCCCn1cncn1 34a_100011305697_200000210301 [0,0,0,0,1,0|3,0,0]=4 7886 B10R1.21 COCCCn1cncn1 34a_100138415774_100102700105 [0,0,0,0,1,0|3,0,0]=4 7887 B10R1.21 COCCOc1ccsc1 34a_100000106738_100011201679 [0,0,0,0,1,0|3,0,0]=4 7888 B10R1.21 COCCOc1ccsc1 7a_100000106738_100000233755 [0,0,0,0,1,0|3,0,0]=4 7889 B10R1.21 COCCSc1c[nH]cn1 62a_100000233755_100000756875 [0,0,0,0,1,0|3,0,0]=4 7890 B10R1.21 COCCSc1c[nH]cn1 62a_100000756875_100000233755 [0,0,0,0,1,0|3,0,0]=4 7891 B10R1.21 COCCSc1cc[nH]n1 62a_100000062575_100000233755 [0,0,0,0,1,0|3,0,0]=4 7892 B10R1.21 COCCSc1cc[nH]n1 62a_100000233755_100000062575 [0,0,0,0,1,0|3,0,0]=4 7893 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,0,0,0,1,0|3,0,0]=4 7894 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,0,0,0,1,0|3,0,0]=4 7895 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,0,0,0,1,0|3,0,0]=4 7896 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,0,0,0,1,0|3,0,0]=4 7897 B10R1.21 COCCSc1ccoc1 62a_100000233755_100011215275 [0,0,0,0,1,0|3,0,0]=4 7898 B10R1.21 COCCSc1ccoc1 62a_100011215275_100000233755 [0,0,0,0,1,0|3,0,0]=4 7899 B10R1.21 COCCSc1ccon1 62a_100000233755_100009818083 [0,0,0,0,1,0|3,0,0]=4 7900 B10R1.21 COCCSc1ccon1 62a_100009818083_100000233755 [0,0,0,0,1,0|3,0,0]=4 7901 B10R1.21 COCCSc1ccsc1 62a_100000233755_100000738268 [0,0,0,0,1,0|3,0,0]=4 7902 B10R1.21 COCCSc1ccsc1 62a_100000738268_100000233755 [0,0,0,0,1,0|3,0,0]=4 7903 B10R1.21 COCCSc1ccsn1 62a_100000233755_100009818082 [0,0,0,0,1,0|3,0,0]=4 7904 B10R1.21 COCCSc1ccsn1 62a_100009818082_100000233755 [0,0,0,0,1,0|3,0,0]=4 7905 B10R1.21 COCCSc1cscn1 62a_100000233755_100000751502 [0,0,0,0,1,0|3,0,0]=4 7906 B10R1.21 COCCSc1cscn1 62a_100000751502_100000233755 [0,0,0,0,1,0|3,0,0]=4 7907 B10R1.21 COCCSc1ncc[nH]1 62a_100000233755_100025796157 [0,0,0,0,1,0|3,0,0]=4 7908 B10R1.21 COCCSc1ncc[nH]1 62a_100025796157_100000233755 [0,0,0,0,1,0|3,0,0]=4 7909 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [0,0,0,0,1,0|3,0,0]=4 7910 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [0,0,0,0,1,0|3,0,0]=4 7911 B10R1.21 COCCSc1nccs1 62a_100000211983_100000233755 [0,0,0,0,1,0|3,0,0]=4 7912 B10R1.21 COCCSc1nccs1 62a_100000233755_100000211983 [0,0,0,0,1,0|3,0,0]=4 7913 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,0,0,0,1,0|3,0,0]=4 7914 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [0,0,0,0,1,0|3,0,0]=4 7915 B10R1.21 COCNCc1ccoc1 2230a_100015206860_100000766300 [0,0,0,0,1,0|3,0,0]=4 7916 B10R1.21 COCNCc1ccsc1 2230a_100000186416_100000766300 [0,0,0,0,1,0|3,0,0]=4 7917 B10R1.21 COCNCc1cscn1 2230a_100015185402_100000766300 [0,0,0,0,1,0|3,0,0]=4 7918 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [0,0,0,0,1,0|3,0,0]=4 7919 B10R1.21 COCNCc1nccs1 2230a_100000740555_100000766300 [0,0,0,0,1,0|3,0,0]=4 7920 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [0,0,0,0,1,0|3,0,0]=4 7921 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [0,0,0,0,1,0|3,0,0]=4 7922 B10R1.21 COCSCc1ccon1 62a_100000234950_100000766300 [0,0,0,0,1,0|3,0,0]=4 7923 B10R1.21 COCSCc1ccon1 62a_100000766300_100000234950 [0,0,0,0,1,0|3,0,0]=4 7924 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [0,0,0,0,1,0|3,0,0]=4 7925 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [0,0,0,0,1,0|3,0,0]=4 7926 B10R1.21 COCSCc1cscn1 62a_100000205941_100000766300 [0,0,0,0,1,0|3,0,0]=4 7927 B10R1.21 COCSCc1cscn1 62a_100000766300_100000205941 [0,0,0,0,1,0|3,0,0]=4 7928 B10R1.21 COCSCc1ncc[nH]1 62a_100000766300_100016991755 [0,0,0,0,1,0|3,0,0]=4 7929 B10R1.21 COCSCc1ncc[nH]1 62a_100016991755_100000766300 [0,0,0,0,1,0|3,0,0]=4 7930 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [0,0,0,0,1,0|3,0,0]=4 7931 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [0,0,0,0,1,0|3,0,0]=4 7932 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [0,0,0,0,1,0|3,0,0]=4 7933 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [0,0,0,0,1,0|3,0,0]=4 7934 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,0,0,0,1,0|2,0,0]=3 7935 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,0,0,0,1,0|2,0,0]=3 7936 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [0,0,0,0,1,0|2,0,0]=3 7937 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [0,0,0,0,1,0|2,0,0]=3 7938 B10R1.21 CSCCCn1cccn1 62a_100000739983_200000210301 [0,0,0,0,1,0|2,0,0]=3 7939 B10R1.21 CSCCCn1cccn1 62a_200000210301_100000739983 [0,0,0,0,1,0|2,0,0]=3 7940 B10R1.21 CSCCCn1ccnc1 62a_100000756272_200000210301 [0,0,0,0,1,0|3,0,0]=4 7941 B10R1.21 CSCCCn1ccnc1 62a_200000210301_100000756272 [0,0,0,0,1,0|3,0,0]=4 7942 B10R1.21 CSCCCn1cncn1 62a_100102700105_200000210301 [0,0,0,0,1,0|3,0,0]=4 7943 B10R1.21 CSCCCn1cncn1 62a_200000210301_100102700105 [0,0,0,0,1,0|3,0,0]=4 7944 B10R1.21 CSCCOc1ccsc1 34a_100000106738_100000212216 [0,0,0,0,1,0|3,0,0]=4 7945 B10R1.21 CSCCOc1ccsc1 7a_100000106738_100000212216 [0,0,0,0,1,0|3,0,0]=4 7946 B10R1.21 CSCCSc1c[nH]cn1 62a_100000212216_100000756875 [0,0,0,0,1,0|3,0,0]=4 7947 B10R1.21 CSCCSc1c[nH]cn1 62a_100000756875_100000751147 [0,0,0,0,1,0|3,0,0]=4 7948 B10R1.21 CSCCSc1cc[nH]n1 62a_100000062575_100000751147 [0,0,0,0,1,0|3,0,0]=4 7949 B10R1.21 CSCCSc1cc[nH]n1 62a_100000212216_100000062575 [0,0,0,0,1,0|3,0,0]=4 7950 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [0,0,0,0,1,0|3,0,0]=4 7951 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [0,0,0,0,1,0|3,0,0]=4 7952 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [0,0,0,0,1,0|3,0,0]=4 7953 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [0,0,0,0,1,0|3,0,0]=4 7954 B10R1.21 CSCCSc1ccoc1 62a_100000212216_100011215275 [0,0,0,0,1,0|3,0,0]=4 7955 B10R1.21 CSCCSc1ccoc1 62a_100011215275_100000751147 [0,0,0,0,1,0|3,0,0]=4 7956 B10R1.21 CSCCSc1ccon1 62a_100000212216_100009818083 [0,0,0,0,1,0|3,0,0]=4 7957 B10R1.21 CSCCSc1ccon1 62a_100009818083_100000751147 [0,0,0,0,1,0|3,0,0]=4 7958 B10R1.21 CSCCSc1ccsc1 62a_100000212216_100000738268 [0,0,0,0,1,0|3,0,0]=4 7959 B10R1.21 CSCCSc1ccsc1 62a_100000738268_100000751147 [0,0,0,0,1,0|3,0,0]=4 7960 B10R1.21 CSCCSc1ccsn1 62a_100000212216_100009818082 [0,0,0,0,1,0|3,0,0]=4 7961 B10R1.21 CSCCSc1ccsn1 62a_100009818082_100000751147 [0,0,0,0,1,0|3,0,0]=4 7962 B10R1.21 CSCCSc1cscn1 62a_100000212216_100000751502 [0,0,0,0,1,0|3,0,0]=4 7963 B10R1.21 CSCCSc1cscn1 62a_100000751502_100000751147 [0,0,0,0,1,0|3,0,0]=4 7964 B10R1.21 CSCCSc1ncc[nH]1 62a_100000212216_100025796157 [0,0,0,0,1,0|3,0,0]=4 7965 B10R1.21 CSCCSc1ncc[nH]1 62a_100025796157_100000751147 [0,0,0,0,1,0|3,0,0]=4 7966 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [0,0,0,0,1,0|3,0,0]=4 7967 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [0,0,0,0,1,0|3,0,0]=4 7968 B10R1.21 CSCCSc1nccs1 62a_100000211983_100000751147 [0,0,0,0,1,0|3,0,0]=4 7969 B10R1.21 CSCCSc1nccs1 62a_100000212216_100000211983 [0,0,0,0,1,0|3,0,0]=4 7970 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [0,0,0,0,1,0|3,0,0]=4 7971 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [0,0,0,0,1,0|3,0,0]=4 7972 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [0,0,0,0,1,0|3,0,0]=4 7973 B10R1.21 CSCNCc1ccoc1 2230a_100015206860_100011218213 [0,0,0,0,1,0|3,0,0]=4 7974 B10R1.21 CSCNCc1ccoc1 34a_100015206860_100011218213 [0,0,0,0,1,0|3,0,0]=4 7975 B10R1.21 CSCNCc1ccsc1 2230a_100000186416_100011218213 [0,0,0,0,1,0|3,0,0]=4 7976 B10R1.21 CSCNCc1ccsc1 34a_100000186416_100011218213 [0,0,0,0,1,0|3,0,0]=4 7977 B10R1.21 CSCNCc1cscn1 2230a_100015185402_100011218213 [0,0,0,0,1,0|3,0,0]=4 7978 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [0,0,0,0,1,0|3,0,0]=4 7979 B10R1.21 CSCNCc1nccs1 2230a_100000740555_100011218213 [0,0,0,0,1,0|3,0,0]=4 7980 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [0,0,0,0,1,0|3,0,0]=4 7981 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [0,0,0,0,1,0|3,0,0]=4 7982 B10R1.21 CSCOCc1ccoc1 34a_100011215357_100011218213 [0,0,0,0,1,0|3,0,0]=4 7983 B10R1.21 CSCOCc1ccsc1 34a_100011215551_100011218213 [0,0,0,0,1,0|3,0,0]=4 7984 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [0,0,0,0,1,0|3,0,0]=4 7985 B10R1.21 CSCOCn1cccn1 34a_100000731028_100011218213 [0,0,0,0,1,0|3,0,0]=4 7986 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [0,0,0,0,1,0|3,0,0]=4 7987 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [0,0,0,0,1,0|3,0,0]=4 7988 B10R1.21 CSCSCc1ccon1 62a_100000234950_100011218213 [0,0,0,0,1,0|3,0,0]=4 7989 B10R1.21 CSCSCc1ccon1 62a_100011218213_100000234950 [0,0,0,0,1,0|3,0,0]=4 7990 B10R1.21 CSCSCc1ccsc1 62a_100011218213_100011233845 [0,0,0,0,1,0|3,0,0]=4 7991 B10R1.21 CSCSCc1ccsc1 62a_100011261437_100011218213 [0,0,0,0,1,0|3,0,0]=4 7992 B10R1.21 CSCSCc1cscn1 62a_100000205941_100011218213 [0,0,0,0,1,0|3,0,0]=4 7993 B10R1.21 CSCSCc1cscn1 62a_100011218213_100000205941 [0,0,0,0,1,0|3,0,0]=4 7994 B10R1.21 CSCSCc1ncc[nH]1 62a_100011218213_100016991755 [0,0,0,0,1,0|3,0,0]=4 7995 B10R1.21 CSCSCc1ncc[nH]1 62a_100016991755_100011218213 [0,0,0,0,1,0|3,0,0]=4 7996 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [0,0,0,0,1,0|3,0,0]=4 7997 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [0,0,0,0,1,0|3,0,0]=4 7998 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [0,0,0,0,1,0|3,0,0]=4 7999 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [0,0,0,0,1,0|3,0,0]=4 8000 B10R1.21 FCCCOc1ccsc1 34a_100000106738_100011934791 [0,0,0,0,1,0|3,0,0]=4 8001 B10R1.21 FCCCOc1ccsc1 7a_100000106738_100011934791 [0,0,0,0,1,0|3,0,0]=4 8002 B10R1.21 FCCCSc1c[nH]cn1 62a_100000756875_100011934791 [0,0,0,0,1,0|3,0,0]=4 8003 B10R1.21 FCCCSc1c[nH]cn1 62a_100011934791_100000756875 [0,0,0,0,1,0|3,0,0]=4 8004 B10R1.21 FCCCSc1cc[nH]n1 62a_100000062575_100011934791 [0,0,0,0,1,0|3,0,0]=4 8005 B10R1.21 FCCCSc1cc[nH]n1 62a_100011934791_100000062575 [0,0,0,0,1,0|3,0,0]=4 8006 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,0,0,0,1,0|3,0,0]=4 8007 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,0,0,0,1,0|3,0,0]=4 8008 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [0,0,0,0,1,0|3,0,0]=4 8009 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [0,0,0,0,1,0|3,0,0]=4 8010 B10R1.21 FCCCSc1ccoc1 62a_100011215275_100011934791 [0,0,0,0,1,0|3,0,0]=4 8011 B10R1.21 FCCCSc1ccoc1 62a_100011934791_100011215275 [0,0,0,0,1,0|3,0,0]=4 8012 B10R1.21 FCCCSc1ccon1 62a_100009818083_100011934791 [0,0,0,0,1,0|3,0,0]=4 8013 B10R1.21 FCCCSc1ccon1 62a_100011934791_100009818083 [0,0,0,0,1,0|3,0,0]=4 8014 B10R1.21 FCCCSc1ccsc1 62a_100000738268_100011934791 [0,0,0,0,1,0|3,0,0]=4 8015 B10R1.21 FCCCSc1ccsc1 62a_100011934791_100000738268 [0,0,0,0,1,0|3,0,0]=4 8016 B10R1.21 FCCCSc1ccsn1 62a_100009818082_100011934791 [0,0,0,0,1,0|3,0,0]=4 8017 B10R1.21 FCCCSc1ccsn1 62a_100011934791_100009818082 [0,0,0,0,1,0|3,0,0]=4 8018 B10R1.21 FCCCSc1cscn1 62a_100000751502_100011934791 [0,0,0,0,1,0|3,0,0]=4 8019 B10R1.21 FCCCSc1cscn1 62a_100011934791_100000751502 [0,0,0,0,1,0|3,0,0]=4 8020 B10R1.21 FCCCSc1ncc[nH]1 62a_100011934791_100025796157 [0,0,0,0,1,0|3,0,0]=4 8021 B10R1.21 FCCCSc1ncc[nH]1 62a_100025796157_100011934791 [0,0,0,0,1,0|3,0,0]=4 8022 B10R1.21 FCCCSc1ncco1 62a_100011787736_100011934791 [0,0,0,0,1,0|3,0,0]=4 8023 B10R1.21 FCCCSc1ncco1 62a_100011934791_100011787736 [0,0,0,0,1,0|3,0,0]=4 8024 B10R1.21 FCCCSc1nccs1 62a_100000211983_100011934791 [0,0,0,0,1,0|3,0,0]=4 8025 B10R1.21 FCCCSc1nccs1 62a_100011934791_100000211983 [0,0,0,0,1,0|3,0,0]=4 8026 B10R1.21 FCCNCc1c[nH]cn1 34a_100000724931_100000707719 [0,0,0,0,1,0|3,0,0]=4 8027 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,0,0,0,1,0|3,0,0]=4 8028 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,0,0,0,1,0|3,0,0]=4 8029 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [0,0,0,0,1,0|3,0,0]=4 8030 B10R1.21 FCCNCc1ccoc1 2230a_100015206860_100011217306 [0,0,0,0,1,0|3,0,0]=4 8031 B10R1.21 FCCNCc1ccoc1 34a_100015206860_100011217306 [0,0,0,0,1,0|3,0,0]=4 8032 B10R1.21 FCCNCc1ccon1 34a_100000724931_100000234950 [0,0,0,0,1,0|3,0,0]=4 8033 B10R1.21 FCCNCc1ccsc1 2230a_100000186416_100011217306 [0,0,0,0,1,0|3,0,0]=4 8034 B10R1.21 FCCNCc1ccsc1 34a_100000186416_100011217306 [0,0,0,0,1,0|3,0,0]=4 8035 B10R1.21 FCCNCc1ccsc1 34a_100000724931_100011261437 [0,0,0,0,1,0|3,0,0]=4 8036 B10R1.21 FCCNCc1cscn1 2230a_100015185402_100011217306 [0,0,0,0,1,0|3,0,0]=4 8037 B10R1.21 FCCNCc1cscn1 34a_100000724931_100000205941 [0,0,0,0,1,0|3,0,0]=4 8038 B10R1.21 FCCNCc1ncc[nH]1 34a_100000724931_100016991755 [0,0,0,0,1,0|3,0,0]=4 8039 B10R1.21 FCCNCc1ncco1 2230a_100016994969_100011217306 [0,0,0,0,1,0|3,0,0]=4 8040 B10R1.21 FCCNCc1ncco1 34a_100000724931_103436540062 [0,0,0,0,1,0|3,0,0]=4 8041 B10R1.21 FCCNCc1nccs1 2230a_100000740555_100011217306 [0,0,0,0,1,0|3,0,0]=4 8042 B10R1.21 FCCNCc1nccs1 34a_100000724931_100015184050 [0,0,0,0,1,0|3,0,0]=4 8043 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,0,0,0,1,0|3,0,0]=4 8044 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,0,0,0,1,0|3,0,0]=4 8045 B10R1.21 FCCOCc1ccoc1 34a_100011215357_100011217306 [0,0,0,0,1,0|3,0,0]=4 8046 B10R1.21 FCCOCc1ccsc1 34a_100011215551_100011217306 [0,0,0,0,1,0|3,0,0]=4 8047 B10R1.21 FCCOCc1ncco1 34a_100000062594_100011217306 [0,0,0,0,1,0|3,0,0]=4 8048 B10R1.21 FCCOCn1cccn1 34a_100000731028_100011217306 [0,0,0,0,1,0|3,0,0]=4 8049 B10R1.21 FCCSCc1c[nH]cn1 62a_100000707719_100011217306 [0,0,0,0,1,0|3,0,0]=4 8050 B10R1.21 FCCSCc1c[nH]cn1 62a_100011217306_100000707719 [0,0,0,0,1,0|3,0,0]=4 8051 B10R1.21 FCCSCc1ccon1 62a_100000234950_100011217306 [0,0,0,0,1,0|3,0,0]=4 8052 B10R1.21 FCCSCc1ccon1 62a_100011217306_100000234950 [0,0,0,0,1,0|3,0,0]=4 8053 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [0,0,0,0,1,0|3,0,0]=4 8054 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [0,0,0,0,1,0|3,0,0]=4 8055 B10R1.21 FCCSCc1cscn1 62a_100000205941_100011217306 [0,0,0,0,1,0|3,0,0]=4 8056 B10R1.21 FCCSCc1cscn1 62a_100011217306_100000205941 [0,0,0,0,1,0|3,0,0]=4 8057 B10R1.21 FCCSCc1ncc[nH]1 62a_100011217306_100016991755 [0,0,0,0,1,0|3,0,0]=4 8058 B10R1.21 FCCSCc1ncc[nH]1 62a_100016991755_100011217306 [0,0,0,0,1,0|3,0,0]=4 8059 B10R1.21 FCCSCc1ncco1 62a_100011217306_103436540062 [0,0,0,0,1,0|3,0,0]=4 8060 B10R1.21 FCCSCc1ncco1 62a_103436540062_100011217306 [0,0,0,0,1,0|3,0,0]=4 8061 B10R1.21 FCCSCc1nccs1 62a_100011217306_100015184050 [0,0,0,0,1,0|3,0,0]=4 8062 B10R1.21 FCCSCc1nccs1 62a_100015184050_100011217306 [0,0,0,0,1,0|3,0,0]=4 8063 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,0,0,0,1,0|3,0,0]=4 8064 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,0,0,0,1,0|3,0,0]=4 8065 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,0,0,0,1,0|3,0,0]=4 8066 B10R1.21 FCNCCn1cccc1 34a_100011368172_100015361967 [0,0,0,0,1,0|3,0,0]=4 8067 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,0,0,0,1,0|3,0,0]=4 8068 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,0,0,0,1,0|3,0,0]=4 8069 B10R1.21 FCOCCc1ccsc1 34a_100000748821_100015361967 [0,0,0,0,1,0|3,0,0]=4 8070 B10R1.21 FCOCCc1ncc[nH]1 34a_103549771195_100015361967 [0,0,0,0,1,0|3,0,0]=4 8071 B10R1.21 FCOCCn1cccc1 34a_100000179382_100015361967 [0,0,0,0,1,0|3,0,0]=4 8072 B10R1.21 FCOCCn1cccn1 34a_100000743371_100015361967 [0,0,0,0,1,0|3,0,0]=4 8073 B10R1.21 FCSCCc1c[nH]cn1 62a_100015361967_100020628418 [0,0,0,0,1,0|3,0,0]=4 8074 B10R1.21 FCSCCc1c[nH]cn1 62a_100020628418_100015361967 [0,0,0,0,1,0|3,0,0]=4 8075 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,0,0,0,1,0|3,0,0]=4 8076 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,0,0,0,1,0|3,0,0]=4 8077 B10R1.21 FCSCCn1cccc1 62a_100015361967_200000035178 [0,0,0,0,1,0|3,0,0]=4 8078 B10R1.21 FCSCCn1cccc1 62a_200009811947_100015361967 [0,0,0,0,1,0|3,0,0]=4 8079 B10R1.21 FCSCCn1cccn1 62a_100015204718_100015361967 [0,0,0,0,1,0|3,0,0]=4 8080 B10R1.21 FCSCCn1cccn1 62a_100015361967_100000685285 [0,0,0,0,1,0|3,0,0]=4 8081 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [0,0,0,0,1,0|3,0,0]=4 8082 B10R1.21 NCCOCc1ccon1 34a_100000210304_100000234950 [0,0,0,0,1,0|3,0,0]=4 8083 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,0,0,0,1,0|3,0,0]=4 8084 B10R1.21 NCCOCc1cscn1 34a_100000210304_100000205941 [0,0,0,0,1,0|3,0,0]=4 8085 B10R1.21 NCCOCc1ncc[nH]1 34a_100000210304_100016991755 [0,0,0,0,1,0|3,0,0]=4 8086 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [0,0,0,0,1,0|3,0,0]=4 8087 B10R1.21 NCCOCc1nccs1 34a_100000210304_100015184050 [0,0,0,0,1,0|3,0,0]=4 8088 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [0,0,0,0,1,0|3,0,0]=4 8089 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [0,0,0,0,1,0|3,0,0]=4 8090 B10R1.21 OCCCSc1c[nH]cn1 62a_100000756875_100011215043 [0,0,0,0,1,0|3,0,0]=4 8091 B10R1.21 OCCCSc1c[nH]cn1 62a_100011215043_100000756875 [0,0,0,0,1,0|3,0,0]=4 8092 B10R1.21 OCCCSc1cc[nH]n1 62a_100000062575_100011215043 [0,0,0,0,1,0|3,0,0]=4 8093 B10R1.21 OCCCSc1cc[nH]n1 62a_100011215043_100000062575 [0,0,0,0,1,0|3,0,0]=4 8094 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,0,0,0,1,0|3,0,0]=4 8095 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,0,0,0,1,0|3,0,0]=4 8096 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,0,0,0,1,0|3,0,0]=4 8097 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,0,0,0,1,0|3,0,0]=4 8098 B10R1.21 OCCCSc1ccoc1 62a_100011215043_100011215275 [0,0,0,0,1,0|3,0,0]=4 8099 B10R1.21 OCCCSc1ccoc1 62a_100011215275_100011215043 [0,0,0,0,1,0|3,0,0]=4 8100 B10R1.21 OCCCSc1ccon1 62a_100009818083_100011215043 [0,0,0,0,1,0|3,0,0]=4 8101 B10R1.21 OCCCSc1ccon1 62a_100011215043_100009818083 [0,0,0,0,1,0|3,0,0]=4 8102 B10R1.21 OCCCSc1ccsc1 62a_100000738268_100011215043 [0,0,0,0,1,0|3,0,0]=4 8103 B10R1.21 OCCCSc1ccsc1 62a_100011215043_100000738268 [0,0,0,0,1,0|3,0,0]=4 8104 B10R1.21 OCCCSc1ccsn1 62a_100009818082_100011215043 [0,0,0,0,1,0|3,0,0]=4 8105 B10R1.21 OCCCSc1ccsn1 62a_100011215043_100009818082 [0,0,0,0,1,0|3,0,0]=4 8106 B10R1.21 OCCCSc1cscn1 62a_100000751502_100011215043 [0,0,0,0,1,0|3,0,0]=4 8107 B10R1.21 OCCCSc1cscn1 62a_100011215043_100000751502 [0,0,0,0,1,0|3,0,0]=4 8108 B10R1.21 OCCCSc1ncc[nH]1 62a_100011215043_100025796157 [0,0,0,0,1,0|3,0,0]=4 8109 B10R1.21 OCCCSc1ncc[nH]1 62a_100025796157_100011215043 [0,0,0,0,1,0|3,0,0]=4 8110 B10R1.21 OCCCSc1ncco1 62a_100011215043_100011787736 [0,0,0,0,1,0|3,0,0]=4 8111 B10R1.21 OCCCSc1ncco1 62a_100011787736_100011215043 [0,0,0,0,1,0|3,0,0]=4 8112 B10R1.21 OCCCSc1nccs1 62a_100000211983_100011215043 [0,0,0,0,1,0|3,0,0]=4 8113 B10R1.21 OCCCSc1nccs1 62a_100011215043_100000211983 [0,0,0,0,1,0|3,0,0]=4 8114 B10R1.21 OCCNCc1c[nH]cn1 2230a_100016997473_100000707719 [0,0,0,0,1,0|3,0,0]=4 8115 B10R1.21 OCCNCc1c[nH]cn1 34a_100016990907_100000707719 [0,0,0,0,1,0|3,0,0]=4 8116 B10R1.21 OCCNCc1cc[nH]n1 207a_100000210304_100000738523 [0,0,0,0,1,0|3,0,0]=4 8117 B10R1.21 OCCNCc1cc[nH]n1 270004a_100000210304_100000738523 [0,0,0,0,1,0|3,0,0]=4 8118 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,0,0,0,1,0|3,0,0]=4 8119 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,0,0,0,1,0|3,0,0]=4 8120 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,0,0,0,1,0|3,0,0]=4 8121 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,0,0,0,1,0|3,0,0]=4 8122 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,0,0,0,1,0|3,0,0]=4 8123 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,0,0,0,1,0|3,0,0]=4 8124 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,0,0,0,1,0|3,0,0]=4 8125 B10R1.21 OCCNCc1ccoc1 207a_100000210304_100011215517 [0,0,0,0,1,0|3,0,0]=4 8126 B10R1.21 OCCNCc1ccoc1 2230a_100015206860_100000211926 [0,0,0,0,1,0|3,0,0]=4 8127 B10R1.21 OCCNCc1ccoc1 270004a_100000210304_100011215517 [0,0,0,0,1,0|3,0,0]=4 8128 B10R1.21 OCCNCc1ccoc1 34a_100015206860_100000211926 [0,0,0,0,1,0|3,0,0]=4 8129 B10R1.21 OCCNCc1ccon1 2230a_100016997473_100000234950 [0,0,0,0,1,0|3,0,0]=4 8130 B10R1.21 OCCNCc1ccon1 34a_100016990907_100000234950 [0,0,0,0,1,0|3,0,0]=4 8131 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [0,0,0,0,1,0|3,0,0]=4 8132 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [0,0,0,0,1,0|3,0,0]=4 8133 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [0,0,0,0,1,0|3,0,0]=4 8134 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [0,0,0,0,1,0|3,0,0]=4 8135 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [0,0,0,0,1,0|3,0,0]=4 8136 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [0,0,0,0,1,0|3,0,0]=4 8137 B10R1.21 OCCNCc1cocn1 270004a_100000210304_100000050382 [0,0,0,0,1,0|3,0,0]=4 8138 B10R1.21 OCCNCc1cscn1 207a_100000210304_100000743575 [0,0,0,0,1,0|3,0,0]=4 8139 B10R1.21 OCCNCc1cscn1 2230a_100015185402_100000211926 [0,0,0,0,1,0|3,0,0]=4 8140 B10R1.21 OCCNCc1cscn1 2230a_100016997473_100000205941 [0,0,0,0,1,0|3,0,0]=4 8141 B10R1.21 OCCNCc1cscn1 270004a_100000210304_100000743575 [0,0,0,0,1,0|3,0,0]=4 8142 B10R1.21 OCCNCc1cscn1 34a_100016990907_100000205941 [0,0,0,0,1,0|3,0,0]=4 8143 B10R1.21 OCCNCc1ncc[nH]1 207a_100000210304_100000743867 [0,0,0,0,1,0|3,0,0]=4 8144 B10R1.21 OCCNCc1ncc[nH]1 2230a_100016997473_100016991755 [0,0,0,0,1,0|3,0,0]=4 8145 B10R1.21 OCCNCc1ncc[nH]1 34a_100016990907_100016991755 [0,0,0,0,1,0|3,0,0]=4 8146 B10R1.21 OCCNCc1ncco1 2230a_100016994969_100000211926 [0,0,0,0,1,0|3,0,0]=4 8147 B10R1.21 OCCNCc1ncco1 2230a_100016997473_103436540062 [0,0,0,0,1,0|3,0,0]=4 8148 B10R1.21 OCCNCc1ncco1 270004a_100000210304_100000064290 [0,0,0,0,1,0|3,0,0]=4 8149 B10R1.21 OCCNCc1ncco1 34a_100016990907_103436540062 [0,0,0,0,1,0|3,0,0]=4 8150 B10R1.21 OCCNCc1nccs1 207a_100000210304_100000750902 [0,0,0,0,1,0|3,0,0]=4 8151 B10R1.21 OCCNCc1nccs1 2230a_100000740555_100000211926 [0,0,0,0,1,0|3,0,0]=4 8152 B10R1.21 OCCNCc1nccs1 2230a_100016997473_100015184050 [0,0,0,0,1,0|3,0,0]=4 8153 B10R1.21 OCCNCc1nccs1 270004a_100000210304_100000750902 [0,0,0,0,1,0|3,0,0]=4 8154 B10R1.21 OCCNCc1nccs1 34a_100016990907_100015184050 [0,0,0,0,1,0|3,0,0]=4 8155 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,0,0,0,1,0|3,0,0]=4 8156 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,0,0,0,1,0|3,0,0]=4 8157 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [0,0,0,0,1,0|3,0,0]=4 8158 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [0,0,0,0,1,0|3,0,0]=4 8159 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [0,0,0,0,1,0|3,0,0]=4 8160 B10R1.21 OCCOCn1cccn1 34a_100000731028_100000211926 [0,0,0,0,1,0|3,0,0]=4 8161 B10R1.21 OCCSCc1c[nH]cn1 62a_100000211926_100000707719 [0,0,0,0,1,0|3,0,0]=4 8162 B10R1.21 OCCSCc1c[nH]cn1 62a_100000707719_100000211926 [0,0,0,0,1,0|3,0,0]=4 8163 B10R1.21 OCCSCc1ccon1 62a_100000211926_100000234950 [0,0,0,0,1,0|3,0,0]=4 8164 B10R1.21 OCCSCc1ccon1 62a_100000234950_100000211926 [0,0,0,0,1,0|3,0,0]=4 8165 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [0,0,0,0,1,0|3,0,0]=4 8166 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [0,0,0,0,1,0|3,0,0]=4 8167 B10R1.21 OCCSCc1cscn1 62a_100000205941_100000211926 [0,0,0,0,1,0|3,0,0]=4 8168 B10R1.21 OCCSCc1cscn1 62a_100000211926_100000205941 [0,0,0,0,1,0|3,0,0]=4 8169 B10R1.21 OCCSCc1ncc[nH]1 62a_100000211926_100016991755 [0,0,0,0,1,0|3,0,0]=4 8170 B10R1.21 OCCSCc1ncc[nH]1 62a_100016991755_100000211926 [0,0,0,0,1,0|3,0,0]=4 8171 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [0,0,0,0,1,0|3,0,0]=4 8172 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [0,0,0,0,1,0|3,0,0]=4 8173 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [0,0,0,0,1,0|3,0,0]=4 8174 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [0,0,0,0,1,0|3,0,0]=4 8175 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,0,0,0,1,0|2,0,0]=3 8176 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,0,0,0,1,0|2,0,0]=3 8177 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,0,0,0,1,0|2,0,0]=3 8178 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,0,0,0,1,0|2,0,0]=3 8179 B10R1.21 [13CH3]OCCCc1cnoc1 34a_100011738005_200025704644 [0,0,0,0,1,0|3,0,0]=4 8180 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [0,0,0,0,1,0|2,0,0]=3 8181 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [0,0,0,0,1,0|2,0,0]=3 8182 B10R1.21 [13CH3]OCCCn1cccn1 34a_100000753614_200025704644 [0,0,0,0,1,0|2,0,0]=3 8183 B10R1.21 [13CH3]OCCCn1ccnc1 34a_100000240236_200025704644 [0,0,0,0,1,0|3,0,0]=4 8184 B10R1.21 [13CH3]OCCCn1cncn1 34a_100011305697_200025704644 [0,0,0,0,1,0|3,0,0]=4 8185 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,0,0,0,1,0|2,0,0]=3 8186 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,0,0,0,1,0|2,0,0]=3 8187 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [0,0,0,0,1,0|2,0,0]=3 8188 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [0,0,0,0,1,0|2,0,0]=3 8189 B10R1.21 [13CH3]SCCCn1cccn1 62a_100000739983_200025704644 [0,0,0,0,1,0|2,0,0]=3 8190 B10R1.21 [13CH3]SCCCn1cccn1 62a_200025704644_100000739983 [0,0,0,0,1,0|2,0,0]=3 8191 B10R1.21 [13CH3]SCCCn1ccnc1 62a_100000756272_200025704644 [0,0,0,0,1,0|3,0,0]=4 8192 B10R1.21 [13CH3]SCCCn1ccnc1 62a_200025704644_100000756272 [0,0,0,0,1,0|3,0,0]=4 8193 B10R1.21 [13CH3]SCCCn1cncn1 62a_100102700105_200025704644 [0,0,0,0,1,0|3,0,0]=4 8194 B10R1.21 [13CH3]SCCCn1cncn1 62a_200025704644_100102700105 [0,0,0,0,1,0|3,0,0]=4 8195 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,1,0,0,0|1,0,1]=4 8196 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,1,0,0,0|1,0,1]=4 8197 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,1,0,0,0|1,0,1]=4 8198 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,0,1,0,0,0|2,0,0]=4 8199 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,0,1,0,0,0|2,0,0]=4 8200 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,0,1,0,0,0|2,0,0]=4 8201 B9R0.50 C=CC(C=C)OCCCC 34a_100000033096_100000210210 [1,0,1,0,0,0|1,0,1]=4 8202 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,0,1,0,0,0|1,0,1]=4 8203 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|1,0,0]=3 8204 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [1,0,1,0,0,0|2,0,0]=4 8205 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,0,1,0,0,0|2,0,0]=4 8206 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,1,0,0,0|2,0,0]=4 8207 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,0,1,0,0,0|2,0,0]=4 8208 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [1,0,1,0,0,0|2,0,0]=4 8209 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,0,0,0,0,0|0,0,2]=4 8210 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|2,0,0]=4 8211 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [2,0,0,0,0,0|2,0,0]=4 8212 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [2,0,0,0,0,0|2,0,0]=4 8213 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [2,0,0,0,0,0|2,0,0]=4 8214 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [2,0,0,0,0,0|2,0,0]=4 8215 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 8216 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 8217 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|2,0,0]=4 8218 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|2,0,0]=4 8219 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|1,0,0]=3 8220 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|1,0,0]=3 8221 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [2,0,0,0,0,0|2,0,0]=4 8222 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [2,0,0,0,0,0|2,0,0]=4 8223 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [2,0,0,0,0,0|2,0,0]=4 8224 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [2,0,0,0,0,0|2,0,0]=4 8225 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [2,0,0,0,0,0|2,0,0]=4 8226 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [2,0,0,0,0,0|2,0,0]=4 8227 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [2,0,0,0,0,0|2,0,0]=4 8228 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [2,0,0,0,0,0|2,0,0]=4 8229 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 8230 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 8231 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 8232 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 8233 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 8234 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 8235 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 8236 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|1,0,0]=3 8237 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|1,0,0]=3 8238 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|1,0,0]=3 8239 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|1,0,0]=3 8240 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|1,0,0]=3 8241 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [2,0,0,0,0,0|2,0,0]=4 8242 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [2,0,0,0,0,0|2,0,0]=4 8243 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [2,0,0,0,0,0|2,0,0]=4 8244 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [2,0,0,0,0,0|2,0,0]=4 8245 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 8246 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [2,0,0,0,0,0|2,0,0]=4 8247 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [2,0,0,0,0,0|2,0,0]=4 8248 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 8249 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [2,0,0,0,0,0|2,0,0]=4 8250 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [2,0,0,0,0,0|2,0,0]=4 8251 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [2,0,0,0,0,0|2,0,0]=4 8252 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [2,0,0,0,0,0|2,0,0]=4 8253 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 8254 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 8255 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 8256 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|1,0,0]=3 8257 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [2,0,0,0,0,0|2,0,0]=4 8258 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [2,0,0,0,0,0|2,0,0]=4 8259 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [2,0,0,0,0,0|2,0,0]=4 8260 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 8261 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 8262 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|1,0,0]=3 8263 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|1,0,0]=3 8264 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [2,0,0,0,0,0|2,0,0]=4 8265 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [2,0,0,0,0,0|2,0,0]=4 8266 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [2,0,0,0,0,0|2,0,0]=4 8267 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [2,0,0,0,0,0|2,0,0]=4 8268 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [2,0,0,0,0,0|2,0,0]=4 8269 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [2,0,0,0,0,0|2,0,0]=4 8270 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [2,0,0,0,0,0|2,0,0]=4 8271 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [2,0,0,0,0,0|2,0,0]=4 8272 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 8273 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 8274 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [2,0,0,0,0,0|2,0,0]=4 8275 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 8276 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 8277 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 8278 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 8279 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|1,0,0]=3 8280 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|1,0,0]=3 8281 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [2,0,0,0,0,0|2,0,0]=4 8282 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [2,0,0,0,0,0|2,0,0]=4 8283 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [2,0,0,0,0,0|2,0,0]=4 8284 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [2,0,0,0,0,0|2,0,0]=4 8285 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [2,0,0,0,0,0|2,0,0]=4 8286 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [2,0,0,0,0,0|2,0,0]=4 8287 B11R0.80 C=CCN(CC=C)CCCCC 2230a_100000210471_100000210326 [0,1,1,0,0,0|2,0,0]=4 8288 B11R0.80 C=CCN(CC=C)CCCCC 269982a_100000210471_100000210215 [0,1,1,0,0,0|2,0,0]=4 8289 B11R0.152 C=CC(=NNCC)CCCCC 4a_100000756455_100011217817 [0,1,1,0,0,0|0,0,2]=4 8290 B11R0.152 C=CCOC(C=C)CCCCC 34a_100011216863_100015514636 [0,1,1,0,0,0|1,0,1]=4 8291 B11R0.152 C=CCOC(C=C)CCCCC 7a_100011216863_100015514636 [0,1,1,0,0,0|1,0,1]=4 8292 B11R0.161 C=CCC(C=C)OCCCCC 34a_100000038011_100000718602 [0,1,1,0,0,0|1,0,1]=4 8293 B11R0.161 C=CCC(C=C)OCCCCC 7a_100000038011_100000210326 [0,1,1,0,0,0|1,0,1]=4 8294 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [0,1,1,0,0,0|1,0,1]=4 8295 B11R0.3 C=CCCC=NNCCCCC 4a_100000694160_100011216789 [0,1,1,0,0,0|1,0,1]=4 8296 B11R0.3 CC=CC=CC=NNCCCC 4a_100025702795_100000691131 [0,1,1,0,0,0|2,0,0]=4 8297 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [0,1,1,0,0,0|1,0,1]=4 8298 B11R0.3 CCCCC/C=C/C=C/COC 34a_200014065772_200000210301 [0,1,1,0,0,0|1,0,1]=4 8299 B11R0.3 CCCCC/C=C/C=C/COC 7a_200014065772_200000210301 [0,1,1,0,0,0|1,0,1]=4 8300 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 34a_200014065772_200025704644 [0,1,1,0,0,0|1,0,1]=4 8301 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 7a_200014065772_200025704644 [0,1,1,0,0,0|1,0,1]=4 8302 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,1,1,0,0,0|1,0,1]=4 8303 B11R0.4 CC=CC(=NNCCCCC)C 4a_100000694160_100011218416 [0,1,1,0,0,0|1,0,1]=4 8304 B11R0.40 C/C=C(\C)/C=NNCCCCC 4a_100000694160_100020587592 [0,1,1,0,0,0|1,0,1]=4 8305 B11R0.40 CCCCCNN=C/C(=C\N)/C 4a_100000694160_100050415766 [0,1,1,0,0,0|2,0,0]=4 8306 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,1,1,0,0,0|1,0,1]=4 8307 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,1,1,0,0,0|2,0,0]=4 8308 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,1,1,0,0,0|1,0,0]=3 8309 B11R0.140 C/C=C/C=CC(=O)CCCCF 1458a_100000185730_100000729493 [0,1,1,0,0,0|2,0,0]=4 8310 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [0,1,1,0,0,0|2,0,0]=4 8311 B11R0.140 C/C=C/C=CC(=O)CCCOC 1458a_100000185730_100000740836 [0,1,1,0,0,0|2,0,0]=4 8312 B11R0.140 C/C=C/C=CC(=O)CCOCC 1458a_100000185730_100011215890 [0,1,1,0,0,0|2,0,0]=4 8313 B11R0.140 C/C=C/C=CC(=O)CCSCC 1458a_100000185730_100000757381 [0,1,1,0,0,0|2,0,0]=4 8314 B11R0.140 C/C=C/C=CC(=O)NCCCC 11a_100000102301_100000185730 [0,1,1,0,0,0|2,0,0]=4 8315 B11R0.140 C/C=C/C=CC(=O)NCCCC 1626a_100000102301_100000185730 [0,1,1,0,0,0|2,0,0]=4 8316 B11R0.140 C/C=C/C=CC(=O)NCCCC 240690a_100000102301_100000185730 [0,1,1,0,0,0|2,0,0]=4 8317 B11R0.148 CCCCCNN=CC=C(C)C 4a_100000694160_100011215525 [0,1,1,0,0,0|1,0,1]=4 8318 B11R0.5 C=CC=CC(=O)CC(=O)CCC 1458a_100016291481_100000747444 [0,1,1,0,0,0|1,0,1]=4 8319 B11R0.5 C=CC=CC(=O)CC(C)CCC 1458a_100016291481_100011216630 [0,1,1,0,0,0|1,0,0]=3 8320 B11R0.5 C=CC=CC(=O)NC(C)CCC 1626a_100000741246_100016291481 [0,1,1,0,0,0|2,0,0]=4 8321 B11R0.11 C=CC=CC(=O)C(C)CCCC 1458a_100016291481_200011215066 [0,1,1,0,0,0|1,0,0]=3 8322 B11R0.11 C=CC=CC(=O)N(C)CCCC 1626a_100000207549_100016291481 [0,1,1,0,0,0|2,0,0]=4 8323 B11R0.70 C=CC=CC(=O)NCC(C)CC 1626a_100020588543_100016291481 [0,1,1,0,0,0|2,0,0]=4 8324 B11R0.147 C=CC=CC(=O)CCCC(=O)C 1458a_100016291481_100011215641 [0,1,1,0,0,0|1,0,1]=4 8325 B11R0.147 C=CC=CC(=O)CCCC(C)C 1458a_100016291481_100011214892 [0,1,1,0,0,0|1,0,0]=3 8326 B11R0.147 C=CC=CC(=O)CCCC(C)O 1458a_100016291481_200000718107 [0,1,1,0,0,0|1,0,0]=3 8327 B11R0.147 C=CC=CC(=O)CCCN(C)C 1458a_100016291481_100000695564 [0,1,1,0,0,0|2,0,0]=4 8328 B11R0.147 C=CC=CC(=O)CCOC(C)C 1458a_100016291481_100000211751 [0,1,1,0,0,0|2,0,0]=4 8329 B11R0.147 C=CC=CC(=O)CCSC(C)C 1458a_100016291481_100000730970 [0,1,1,0,0,0|2,0,0]=4 8330 B11R0.147 C=CC=CC(=O)NCCC(C)C 1626a_100000210545_100016291481 [0,1,1,0,0,0|2,0,0]=4 8331 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,1,1,0,0,0|1,0,1]=4 8332 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|2,0,0]=4 8333 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|2,0,0]=4 8334 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [1,1,0,0,0,0|1,0,0]=3 8335 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,0]=3 8336 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,0]=3 8337 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,0]=3 8338 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,0]=3 8339 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,0]=3 8340 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,0]=3 8341 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,0]=3 8342 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|0,0,0]=2 8343 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|0,0,0]=2 8344 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|0,0,0]=2 8345 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|0,0,0]=2 8346 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|0,0,0]=2 8347 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|0,0,0]=2 8348 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|2,0,0]=4 8349 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|2,0,0]=4 8350 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|2,0,0]=4 8351 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|2,0,0]=4 8352 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|2,0,0]=4 8353 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [1,1,0,0,0,0|1,0,0]=3 8354 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [1,1,0,0,0,0|1,0,0]=3 8355 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [1,1,0,0,0,0|1,0,0]=3 8356 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [1,1,0,0,0,0|1,0,0]=3 8357 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [1,1,0,0,0,0|1,0,0]=3 8358 B11R1.1 CCCCc1cnc(nn1)N 271570a_100020621405_100000691435 [1,1,0,0,0,0|2,0,0]=4 8359 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [1,1,0,0,0,0|1,0,0]=3 8360 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [1,1,0,0,0,0|1,0,0]=3 8361 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [1,1,0,0,0,0|1,0,0]=3 8362 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [1,1,0,0,0,0|1,0,0]=3 8363 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [1,1,0,0,0,0|1,0,0]=3 8364 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [1,1,0,0,0,0|1,0,0]=3 8365 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 8366 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 8367 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|2,0,0]=4 8368 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 8369 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 8370 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|2,0,0]=4 8371 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 8372 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 8373 B11R1.1 CCCNc1ccc(nn1)O 271570a_203496583355_100000215239 [1,1,0,0,0,0|2,0,0]=4 8374 B11R1.1 CCCNc1ncc(cn1)O 271570a_203496583355_200011938755 [1,1,0,0,0,0|2,0,0]=4 8375 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 8376 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 8377 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 8378 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 8379 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 8380 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 8381 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|2,0,0]=4 8382 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 8383 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 8384 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 8385 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|2,0,0]=4 8386 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [1,1,0,0,0,0|1,0,0]=3 8387 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [1,1,0,0,0,0|1,0,0]=3 8388 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [1,1,0,0,0,0|1,0,0]=3 8389 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [1,1,0,0,0,0|1,0,0]=3 8390 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [1,1,0,0,0,0|1,0,0]=3 8391 B11R1.1 CCCOc1ccc(nn1)O 271570a_203496583355_200011279913 [1,1,0,0,0,0|2,0,0]=4 8392 B11R1.1 CCCOc1cnc(cn1)Br 34a_100011934580_100000210303 [1,1,0,0,0,0|2,0,0]=4 8393 B11R1.1 CCCOc1cnc(cn1)Cl 34a_100015839800_100000210303 [1,1,0,0,0,0|2,0,0]=4 8394 B11R1.1 CCCOc1ncc(cn1)F 34a_100011934040_100000210303 [1,1,0,0,0,0|2,0,0]=4 8395 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100000210303_100009820020 [1,1,0,0,0,0|2,0,0]=4 8396 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210303 [1,1,0,0,0,0|2,0,0]=4 8397 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|2,0,0]=4 8398 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|2,0,0]=4 8399 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|2,0,0]=4 8400 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|2,0,0]=4 8401 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|2,0,0]=4 8402 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|2,0,0]=4 8403 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|2,0,0]=4 8404 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|2,0,0]=4 8405 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 8406 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|2,0,0]=4 8407 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|2,0,0]=4 8408 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|2,0,0]=4 8409 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [1,1,0,0,0,0|1,0,0]=3 8410 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [1,1,0,0,0,0|1,0,0]=3 8411 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [1,1,0,0,0,0|1,0,0]=3 8412 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [1,1,0,0,0,0|1,0,0]=3 8413 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [1,1,0,0,0,0|1,0,0]=3 8414 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [1,1,0,0,0,0|1,0,0]=3 8415 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [1,1,0,0,0,0|1,0,0]=3 8416 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [1,1,0,0,0,0|1,0,0]=3 8417 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [1,1,0,0,0,0|1,0,0]=3 8418 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [1,1,0,0,0,0|1,0,0]=3 8419 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [1,1,0,0,0,0|1,0,0]=3 8420 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [1,1,0,0,0,0|1,0,0]=3 8421 B11R1.1 CCCSc1ccc(nn1)C 62a_100000210303_100000744512 [1,1,0,0,0,0|2,0,0]=4 8422 B11R1.1 CCCSc1ccc(nn1)C 62a_100000744512_100000210303 [1,1,0,0,0,0|2,0,0]=4 8423 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000068654_100000210303 [1,1,0,0,0,0|2,0,0]=4 8424 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000210303_100000068654 [1,1,0,0,0,0|2,0,0]=4 8425 B11R1.1 CCCSc1ccc(nn1)N 62a_100000210303_100010219413 [1,1,0,0,0,0|2,0,0]=4 8426 B11R1.1 CCCSc1ccc(nn1)N 62a_100010219413_100000210303 [1,1,0,0,0,0|2,0,0]=4 8427 B11R1.1 CCCSc1cnc(cn1)Br 62a_100000210303_100010187541 [1,1,0,0,0,0|2,0,0]=4 8428 B11R1.1 CCCSc1cnc(cn1)Br 62a_100010187541_100000210303 [1,1,0,0,0,0|2,0,0]=4 8429 B11R1.1 CCCSc1cnc(cn1)C 62a_100000210303_100011999403 [1,1,0,0,0,0|2,0,0]=4 8430 B11R1.1 CCCSc1cnc(cn1)C 62a_100011999403_100000210303 [1,1,0,0,0,0|2,0,0]=4 8431 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100000210303_100010214907 [1,1,0,0,0,0|2,0,0]=4 8432 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100010214907_100000210303 [1,1,0,0,0,0|2,0,0]=4 8433 B11R1.1 CCCSc1cnc(cn1)F 62a_100000210303_100009856528 [1,1,0,0,0,0|2,0,0]=4 8434 B11R1.1 CCCSc1cnc(cn1)F 62a_100009856528_100000210303 [1,1,0,0,0,0|2,0,0]=4 8435 B11R1.1 CCCSc1cnc(cn1)N 62a_100000210303_100000744751 [1,1,0,0,0,0|2,0,0]=4 8436 B11R1.1 CCCSc1cnc(cn1)N 62a_100000744751_100000210303 [1,1,0,0,0,0|2,0,0]=4 8437 B11R1.1 CCCSc1cnc(cn1)O 62a_100000210303_100015839800 [1,1,0,0,0,0|2,0,0]=4 8438 B11R1.1 CCCSc1cnc(cn1)O 62a_100011934580_100000210303 [1,1,0,0,0,0|2,0,0]=4 8439 B11R1.1 CCCSc1ncc(cn1)Br 62a_100000210303_100000690281 [1,1,0,0,0,0|2,0,0]=4 8440 B11R1.1 CCCSc1ncc(cn1)Br 62a_100000690281_100000210303 [1,1,0,0,0,0|2,0,0]=4 8441 B11R1.1 CCCSc1ncc(cn1)C 62a_100000061069_100000210303 [1,1,0,0,0,0|2,0,0]=4 8442 B11R1.1 CCCSc1ncc(cn1)C 62a_100000210303_100000061069 [1,1,0,0,0,0|2,0,0]=4 8443 B11R1.1 CCCSc1ncc(cn1)Cl 62a_100000210303_100011356929 [1,1,0,0,0,0|2,0,0]=4 8444 B11R1.1 CCCSc1ncc(cn1)Cl 62a_100011356929_100000210303 [1,1,0,0,0,0|2,0,0]=4 8445 B11R1.1 CCCSc1ncc(cn1)F 62a_100000210303_100000685220 [1,1,0,0,0,0|2,0,0]=4 8446 B11R1.1 CCCSc1ncc(cn1)F 62a_100000685220_100000210303 [1,1,0,0,0,0|2,0,0]=4 8447 B11R1.1 CCCSc1ncc(cn1)N 62a_100000068403_100000210303 [1,1,0,0,0,0|2,0,0]=4 8448 B11R1.1 CCCSc1ncc(cn1)N 62a_100000210303_100000068403 [1,1,0,0,0,0|2,0,0]=4 8449 B11R1.1 CCCSc1ncc(cn1)O 271570a_203496583355_200011939516 [1,1,0,0,0,0|2,0,0]=4 8450 B11R1.1 CCCSc1ncc(cn1)O 62a_100000210303_100000092845 [1,1,0,0,0,0|2,0,0]=4 8451 B11R1.1 CCCSc1ncc(cn1)O 62a_100000730009_100000210303 [1,1,0,0,0,0|2,0,0]=4 8452 B11R1.1 CCNCc1ccc(=O)[nH]n1 207a_100015525214_100011361533 [1,1,0,0,0,0|2,0,0]=4 8453 B11R1.1 CCNCc1ccc(=O)[nH]n1 270004a_100015525214_100011361533 [1,1,0,0,0,0|2,0,0]=4 8454 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 8455 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 8456 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|2,0,0]=4 8457 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 8458 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 8459 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 8460 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 8461 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|2,0,0]=4 8462 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 8463 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 8464 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 8465 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 8466 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|2,0,0]=4 8467 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 8468 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 8469 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 8470 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 8471 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|2,0,0]=4 8472 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 8473 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 8474 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|2,0,0]=4 8475 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|2,0,0]=4 8476 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 8477 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 8478 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|2,0,0]=4 8479 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|2,0,0]=4 8480 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [1,1,0,0,0,0|1,0,0]=3 8481 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [1,1,0,0,0,0|1,0,0]=3 8482 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [1,1,0,0,0,0|1,0,0]=3 8483 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [1,1,0,0,0,0|1,0,0]=3 8484 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [1,1,0,0,0,0|1,0,0]=3 8485 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [1,1,0,0,0,0|1,0,0]=3 8486 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [1,1,0,0,0,0|1,0,0]=3 8487 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [1,1,0,0,0,0|1,0,0]=3 8488 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [1,1,0,0,0,0|1,0,0]=3 8489 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [1,1,0,0,0,0|1,0,0]=3 8490 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [1,1,0,0,0,0|1,0,0]=3 8491 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [1,1,0,0,0,0|1,0,0]=3 8492 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [1,1,0,0,0,0|1,0,0]=3 8493 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [1,1,0,0,0,0|1,0,0]=3 8494 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [1,1,0,0,0,0|1,0,0]=3 8495 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [1,1,0,0,0,0|1,0,0]=3 8496 B11R1.1 CCNCc1ccc(nn1)Cl 2230a_100015525214_100016992710 [1,1,0,0,0,0|2,0,0]=4 8497 B11R1.1 CCNCc1ccc(nn1)Cl 270004a_100015525214_100000044651 [1,1,0,0,0,0|2,0,0]=4 8498 B11R1.1 CCNCc1cnc(cn1)C 2230a_100015525214_100000752025 [1,1,0,0,0,0|2,0,0]=4 8499 B11R1.1 CCNCc1cnc(cn1)C 270004a_100015525214_100000685221 [1,1,0,0,0,0|2,0,0]=4 8500 B11R1.1 CCNCc1cnc(cn1)C 34a_100132314150_100000210202 [1,1,0,0,0,0|2,0,0]=4 8501 B11R1.1 CCNCc1cnc(cn1)Cl 270004a_100015525214_100012001714 [1,1,0,0,0,0|2,0,0]=4 8502 B11R1.1 CCNCc1ncc(cn1)C 2230a_100015525214_100000685645 [1,1,0,0,0,0|2,0,0]=4 8503 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|2,0,0]=4 8504 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|2,0,0]=4 8505 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 8506 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|2,0,0]=4 8507 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 8508 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 8509 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|2,0,0]=4 8510 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 8511 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 8512 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|2,0,0]=4 8513 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 8514 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 8515 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|2,0,0]=4 8516 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 8517 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 8518 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|2,0,0]=4 8519 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [1,1,0,0,0,0|1,0,0]=3 8520 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [1,1,0,0,0,0|1,0,0]=3 8521 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [1,1,0,0,0,0|1,0,0]=3 8522 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [1,1,0,0,0,0|1,0,0]=3 8523 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [1,1,0,0,0,0|1,0,0]=3 8524 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [1,1,0,0,0,0|1,0,0]=3 8525 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [1,1,0,0,0,0|1,0,0]=3 8526 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [1,1,0,0,0,0|1,0,0]=3 8527 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [1,1,0,0,0,0|1,0,0]=3 8528 B11R1.1 CCOCc1ccc(nn1)Cl 34a_100121572206_100016992710 [1,1,0,0,0,0|2,0,0]=4 8529 B11R1.1 CCOCc1cnc(cn1)C 34a_100011273949_100000210202 [1,1,0,0,0,0|2,0,0]=4 8530 B11R1.1 CCOCc1cnc(cn1)Cl 34a_100012002382_100000210202 [1,1,0,0,0,0|2,0,0]=4 8531 B11R1.1 CCOCc1ncc(cn1)Br 34a_100121572206_100010064664 [1,1,0,0,0,0|2,0,0]=4 8532 B11R1.1 CCOCc1ncc(cn1)C 34a_100121572206_100000685645 [1,1,0,0,0,0|2,0,0]=4 8533 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|2,0,0]=4 8534 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|2,0,0]=4 8535 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|2,0,0]=4 8536 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|2,0,0]=4 8537 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|2,0,0]=4 8538 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|2,0,0]=4 8539 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|2,0,0]=4 8540 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|2,0,0]=4 8541 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|2,0,0]=4 8542 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|2,0,0]=4 8543 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [1,1,0,0,0,0|1,0,0]=3 8544 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [1,1,0,0,0,0|1,0,0]=3 8545 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [1,1,0,0,0,0|1,0,0]=3 8546 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [1,1,0,0,0,0|1,0,0]=3 8547 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [1,1,0,0,0,0|1,0,0]=3 8548 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [1,1,0,0,0,0|1,0,0]=3 8549 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [1,1,0,0,0,0|1,0,0]=3 8550 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [1,1,0,0,0,0|1,0,0]=3 8551 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100000210202_100016992710 [1,1,0,0,0,0|2,0,0]=4 8552 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100016992710_100000210202 [1,1,0,0,0,0|2,0,0]=4 8553 B11R1.1 CCSCc1cnc(cn1)C 62a_100000210202_100000752025 [1,1,0,0,0,0|2,0,0]=4 8554 B11R1.1 CCSCc1cnc(cn1)C 62a_100000752025_100000210202 [1,1,0,0,0,0|2,0,0]=4 8555 B11R1.1 CCSCc1ncc(cn1)Br 62a_100000210202_100010064664 [1,1,0,0,0,0|2,0,0]=4 8556 B11R1.1 CCSCc1ncc(cn1)Br 62a_100010064664_100000210202 [1,1,0,0,0,0|2,0,0]=4 8557 B11R1.1 CCSCc1ncc(cn1)C 62a_100000210202_100000685645 [1,1,0,0,0,0|2,0,0]=4 8558 B11R1.1 CCSCc1ncc(cn1)C 62a_100000685645_100000210202 [1,1,0,0,0,0|2,0,0]=4 8559 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 8560 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|2,0,0]=4 8561 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 8562 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|2,0,0]=4 8563 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|2,0,0]=4 8564 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|2,0,0]=4 8565 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|2,0,0]=4 8566 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|2,0,0]=4 8567 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|2,0,0]=4 8568 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|2,0,0]=4 8569 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|2,0,0]=4 8570 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|2,0,0]=4 8571 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|2,0,0]=4 8572 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|2,0,0]=4 8573 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|2,0,0]=4 8574 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|2,0,0]=4 8575 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|2,0,0]=4 8576 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|2,0,0]=4 8577 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|2,0,0]=4 8578 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|2,0,0]=4 8579 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|2,0,0]=4 8580 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|2,0,0]=4 8581 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|2,0,0]=4 8582 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|2,0,0]=4 8583 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|2,0,0]=4 8584 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|2,0,0]=4 8585 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|2,0,0]=4 8586 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|2,0,0]=4 8587 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|2,0,0]=4 8588 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|2,0,0]=4 8589 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|2,0,0]=4 8590 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|2,0,0]=4 8591 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|2,0,0]=4 8592 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|2,0,0]=4 8593 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|2,0,0]=4 8594 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|2,0,0]=4 8595 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|2,0,0]=4 8596 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|2,0,0]=4 8597 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|2,0,0]=4 8598 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|2,0,0]=4 8599 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,1,0,0,0,0|1,0,0]=3 8600 B11R1.1 COCSc1ccc(cn1)Br 62a_100000686858_100000766300 [1,1,0,0,0,0|2,0,0]=4 8601 B11R1.1 COCSc1ccc(cn1)Br 62a_100000766300_100000686858 [1,1,0,0,0,0|2,0,0]=4 8602 B11R1.1 COCSc1ccc(cn1)C 62a_100000766300_100000754016 [1,1,0,0,0,0|2,0,0]=4 8603 B11R1.1 COCSc1ccc(cn1)C 62a_100011192072_100000766300 [1,1,0,0,0,0|2,0,0]=4 8604 B11R1.1 COCSc1ccc(cn1)Cl 62a_100000766300_100011356976 [1,1,0,0,0,0|2,0,0]=4 8605 B11R1.1 COCSc1ccc(cn1)Cl 62a_100011356976_100000766300 [1,1,0,0,0,0|2,0,0]=4 8606 B11R1.1 COCSc1ccc(cn1)F 62a_100000744514_100000766300 [1,1,0,0,0,0|2,0,0]=4 8607 B11R1.1 COCSc1ccc(cn1)F 62a_100000766300_100000744514 [1,1,0,0,0,0|2,0,0]=4 8608 B11R1.1 COCSc1ccc(cn1)N 62a_100000737798_100000766300 [1,1,0,0,0,0|2,0,0]=4 8609 B11R1.1 COCSc1ccc(cn1)N 62a_100000766300_100000737798 [1,1,0,0,0,0|2,0,0]=4 8610 B11R1.1 COCSc1ccc(cn1)O 62a_100000685995_100000766300 [1,1,0,0,0,0|2,0,0]=4 8611 B11R1.1 COCSc1ccc(cn1)O 62a_100000766300_100000744096 [1,1,0,0,0,0|2,0,0]=4 8612 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|2,0,0]=4 8613 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|2,0,0]=4 8614 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|2,0,0]=4 8615 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|2,0,0]=4 8616 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|2,0,0]=4 8617 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|2,0,0]=4 8618 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|2,0,0]=4 8619 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|2,0,0]=4 8620 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|2,0,0]=4 8621 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|2,0,0]=4 8622 B11R1.1 CSCOc1ccc(cn1)C 34a_100000759353_100011218213 [1,1,0,0,0,0|2,0,0]=4 8623 B11R1.1 CSCOc1ccc(cn1)Cl 34a_100011215309_100011218213 [1,1,0,0,0,0|2,0,0]=4 8624 B11R1.1 CSCOc1ccc(cn1)F 34a_100000742473_100011218213 [1,1,0,0,0,0|2,0,0]=4 8625 B11R1.1 CSCOc1ccc(cn1)N 34a_100000729260_100011218213 [1,1,0,0,0,0|2,0,0]=4 8626 B11R1.1 CSCSc1ccc(cn1)Br 62a_100000686858_100011218213 [1,1,0,0,0,0|2,0,0]=4 8627 B11R1.1 CSCSc1ccc(cn1)Br 62a_100011218213_100000686858 [1,1,0,0,0,0|2,0,0]=4 8628 B11R1.1 CSCSc1ccc(cn1)C 62a_100011192072_100011218213 [1,1,0,0,0,0|2,0,0]=4 8629 B11R1.1 CSCSc1ccc(cn1)C 62a_100011218213_100000754016 [1,1,0,0,0,0|2,0,0]=4 8630 B11R1.1 CSCSc1ccc(cn1)Cl 62a_100011218213_100011356976 [1,1,0,0,0,0|2,0,0]=4 8631 B11R1.1 CSCSc1ccc(cn1)Cl 62a_100011356976_100011218213 [1,1,0,0,0,0|2,0,0]=4 8632 B11R1.1 CSCSc1ccc(cn1)F 62a_100000744514_100011218213 [1,1,0,0,0,0|2,0,0]=4 8633 B11R1.1 CSCSc1ccc(cn1)F 62a_100011218213_100000744514 [1,1,0,0,0,0|2,0,0]=4 8634 B11R1.1 CSCSc1ccc(cn1)N 62a_100000737798_100011218213 [1,1,0,0,0,0|2,0,0]=4 8635 B11R1.1 CSCSc1ccc(cn1)N 62a_100011218213_100000737798 [1,1,0,0,0,0|2,0,0]=4 8636 B11R1.1 CSCSc1ccc(cn1)O 62a_100000685995_100011218213 [1,1,0,0,0,0|2,0,0]=4 8637 B11R1.1 CSCSc1ccc(cn1)O 62a_100011218213_100000744096 [1,1,0,0,0,0|2,0,0]=4 8638 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|2,0,0]=4 8639 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|2,0,0]=4 8640 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|2,0,0]=4 8641 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|2,0,0]=4 8642 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|2,0,0]=4 8643 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|2,0,0]=4 8644 B11R1.1 Cc1ccc(nc1)CNCF 34a_100015187455_100015361967 [1,1,0,0,0,0|2,0,0]=4 8645 B11R1.1 Cc1ccc(nc1)COCF 34a_100012001401_100015361967 [1,1,0,0,0,0|2,0,0]=4 8646 B11R1.1 Cc1ccc(nc1)CSCF 62a_100000691093_100015361967 [1,1,0,0,0,0|2,0,0]=4 8647 B11R1.1 Cc1ccc(nc1)CSCF 62a_100015361967_100000691093 [1,1,0,0,0,0|2,0,0]=4 8648 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [1,1,0,0,0,0|2,0,0]=4 8649 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [1,1,0,0,0,0|2,0,0]=4 8650 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011192072_100011217306 [1,1,0,0,0,0|2,0,0]=4 8651 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011217306_100000754016 [1,1,0,0,0,0|2,0,0]=4 8652 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [1,1,0,0,0,0|2,0,0]=4 8653 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [1,1,0,0,0,0|2,0,0]=4 8654 B11R1.1 FCCOc1ccc(cn1)Cl 34a_100011215309_100011217306 [1,1,0,0,0,0|2,0,0]=4 8655 B11R1.1 FCCOc1ccc(cn1)F 34a_100000742473_100011217306 [1,1,0,0,0,0|2,0,0]=4 8656 B11R1.1 FCCSc1ccc(cn1)Br 62a_100000686858_100011217306 [1,1,0,0,0,0|2,0,0]=4 8657 B11R1.1 FCCSc1ccc(cn1)Br 62a_100011217306_100000686858 [1,1,0,0,0,0|2,0,0]=4 8658 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011217306_100011356976 [1,1,0,0,0,0|2,0,0]=4 8659 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011356976_100011217306 [1,1,0,0,0,0|2,0,0]=4 8660 B11R1.1 FCCSc1ccc(cn1)F 62a_100000744514_100011217306 [1,1,0,0,0,0|2,0,0]=4 8661 B11R1.1 FCCSc1ccc(cn1)F 62a_100011217306_100000744514 [1,1,0,0,0,0|2,0,0]=4 8662 B11R1.1 FCNCc1ccc(cn1)Br 34a_100015188789_100015361967 [1,1,0,0,0,0|2,0,0]=4 8663 B11R1.1 FCNCc1ccc(cn1)Cl 34a_100000697193_100015361967 [1,1,0,0,0,0|2,0,0]=4 8664 B11R1.1 FCNCc1ccc(cn1)F 34a_100020620131_100015361967 [1,1,0,0,0,0|2,0,0]=4 8665 B11R1.1 FCOCc1ccc(cn1)Br 34a_100000754261_100015361967 [1,1,0,0,0,0|2,0,0]=4 8666 B11R1.1 FCOCc1ccc(cn1)Cl 34a_100000703999_100015361967 [1,1,0,0,0,0|2,0,0]=4 8667 B11R1.1 FCOCc1ccc(cn1)F 34a_100011999454_100015361967 [1,1,0,0,0,0|2,0,0]=4 8668 B11R1.1 FCSCc1ccc(cn1)Br 62a_100000702658_100015361967 [1,1,0,0,0,0|2,0,0]=4 8669 B11R1.1 FCSCc1ccc(cn1)Br 62a_100015361967_100000702658 [1,1,0,0,0,0|2,0,0]=4 8670 B11R1.1 FCSCc1ccc(cn1)Cl 62a_100012066911_100015361967 [1,1,0,0,0,0|2,0,0]=4 8671 B11R1.1 FCSCc1ccc(cn1)Cl 62a_100015361967_100000697101 [1,1,0,0,0,0|2,0,0]=4 8672 B11R1.1 FCSCc1ccc(cn1)F 62a_100000703193_100015361967 [1,1,0,0,0,0|2,0,0]=4 8673 B11R1.1 FCSCc1ccc(cn1)F 62a_100015361967_100000703193 [1,1,0,0,0,0|2,0,0]=4 8674 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|2,0,0]=4 8675 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [1,1,0,0,0,0|2,0,0]=4 8676 B11R1.1 Nc1ccc(nc1)COCF 34a_100011998161_100015361967 [1,1,0,0,0,0|2,0,0]=4 8677 B11R1.1 Nc1ccc(nc1)OCCF 34a_100000729260_100011217306 [1,1,0,0,0,0|2,0,0]=4 8678 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [1,1,0,0,0,0|2,0,0]=4 8679 B11R1.1 Nc1ccc(nc1)SCCF 62a_100000737798_100011217306 [1,1,0,0,0,0|2,0,0]=4 8680 B11R1.1 Nc1ccc(nc1)SCCF 62a_100011217306_100000737798 [1,1,0,0,0,0|2,0,0]=4 8681 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000211926_100000737798 [1,1,0,0,0,0|2,0,0]=4 8682 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000737798_100000211926 [1,1,0,0,0,0|2,0,0]=4 8683 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|2,0,0]=4 8684 B11R1.1 OCCNc1ccc(cn1)Br 27a_100000210304_100000686858 [1,1,0,0,0,0|2,0,0]=4 8685 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [1,1,0,0,0,0|2,0,0]=4 8686 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [1,1,0,0,0,0|2,0,0]=4 8687 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000211926_100000686858 [1,1,0,0,0,0|2,0,0]=4 8688 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000686858_100000211926 [1,1,0,0,0,0|2,0,0]=4 8689 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100000211926_100011356976 [1,1,0,0,0,0|2,0,0]=4 8690 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100011356976_100000211926 [1,1,0,0,0,0|2,0,0]=4 8691 B11R1.1 OCCSc1ccc(cn1)F 62a_100000211926_100000744514 [1,1,0,0,0,0|2,0,0]=4 8692 B11R1.1 OCCSc1ccc(cn1)F 62a_100000744514_100000211926 [1,1,0,0,0,0|2,0,0]=4 8693 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [1,1,0,0,0,0|2,0,0]=4 8694 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [1,1,0,0,0,0|2,0,0]=4 8695 B11R1.1 Oc1ccc(nc1)SCCF 62a_100000685995_100011217306 [1,1,0,0,0,0|2,0,0]=4 8696 B11R1.1 Oc1ccc(nc1)SCCF 62a_100011217306_100000744096 [1,1,0,0,0,0|2,0,0]=4 8697 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 8698 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 8699 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|2,0,0]=4 8700 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|2,0,0]=4 8701 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|2,0,0]=4 8702 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|2,0,0]=4 8703 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|2,0,0]=4 8704 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|2,0,0]=4 8705 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|2,0,0]=4 8706 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|2,0,0]=4 8707 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|2,0,0]=4 8708 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|2,0,0]=4 8709 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|2,0,0]=4 8710 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|2,0,0]=4 8711 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|2,0,0]=4 8712 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|2,0,0]=4 8713 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,1,0,0,0,0|1,0,0]=3 8714 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|2,0,0]=4 8715 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|2,0,0]=4 8716 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|2,0,0]=4 8717 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|2,0,0]=4 8718 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|2,0,0]=4 8719 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|2,0,0]=4 8720 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|2,0,0]=4 8721 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|2,0,0]=4 8722 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|2,0,0]=4 8723 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|2,0,0]=4 8724 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|2,0,0]=4 8725 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|2,0,0]=4 8726 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|2,0,0]=4 8727 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|2,0,0]=4 8728 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|1,0,1]=4 8729 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 8730 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 8731 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 8732 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 8733 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 8734 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 8735 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [1,1,0,0,0,0|2,0,0]=4 8736 B11R1.16 CCCN(C)c1ccncn1 27a_100000747261_100000703185 [1,1,0,0,0,0|2,0,0]=4 8737 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [1,1,0,0,0,0|2,0,0]=4 8738 B11R1.16 CCCN(C)c1ncccn1 27a_100000747261_100000211032 [1,1,0,0,0,0|2,0,0]=4 8739 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 8740 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 8741 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 8742 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|2,0,0]=4 8743 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|2,0,0]=4 8744 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,1,0,0,0,0|1,0,0]=3 8745 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,1,0,0,0,0|1,0,0]=3 8746 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [1,1,0,0,0,0|2,0,0]=4 8747 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [1,1,0,0,0,0|2,0,0]=4 8748 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [1,1,0,0,0,0|2,0,0]=4 8749 B11R1.16 CCNC(C)c1ncccn1 2230a_100020641698_100000210202 [1,1,0,0,0,0|2,0,0]=4 8750 B11R1.16 CCNC(C)c1ncccn1 270004a_100015525214_100011350828 [1,1,0,0,0,0|2,0,0]=4 8751 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|2,0,0]=4 8752 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [1,1,0,0,0,0|2,0,0]=4 8753 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|2,0,0]=4 8754 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 8755 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 8756 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|2,0,0]=4 8757 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|2,0,0]=4 8758 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [1,1,0,0,0,0|2,0,0]=4 8759 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [1,1,0,0,0,0|2,0,0]=4 8760 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,1,0,0,0,0|1,0,1]=4 8761 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,1,0,0,0,0|1,0,1]=4 8762 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|2,0,0]=4 8763 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|2,0,0]=4 8764 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|2,0,0]=4 8765 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|2,0,0]=4 8766 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|2,0,0]=4 8767 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|2,0,0]=4 8768 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|2,0,0]=4 8769 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|2,0,0]=4 8770 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|2,0,0]=4 8771 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|2,0,0]=4 8772 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,1,0,0,0,0|1,0,0]=3 8773 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|2,0,0]=4 8774 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|2,0,0]=4 8775 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|2,0,0]=4 8776 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [1,1,0,0,0,0|1,0,1]=4 8777 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|2,0,0]=4 8778 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|2,0,0]=4 8779 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|2,0,0]=4 8780 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|2,0,0]=4 8781 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|2,0,0]=4 8782 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|2,0,0]=4 8783 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [1,1,0,0,0,0|1,0,1]=4 8784 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [1,1,0,0,0,0|1,0,1]=4 8785 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|2,0,0]=4 8786 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|2,0,0]=4 8787 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|2,0,0]=4 8788 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|2,0,0]=4 8789 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|2,0,0]=4 8790 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|2,0,0]=4 8791 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|2,0,0]=4 8792 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,1,0,0,0,0|1,0,0]=3 8793 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|2,0,0]=4 8794 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [1,1,0,0,0,0|1,0,1]=4 8795 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [1,1,0,0,0,0|1,0,1]=4 8796 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|2,0,0]=4 8797 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|2,0,0]=4 8798 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|2,0,0]=4 8799 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|2,0,0]=4 8800 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [1,1,0,0,0,0|2,0,0]=4 8801 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [1,1,0,0,0,0|2,0,0]=4 8802 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,1,0,0,0,0|2,0,0]=4 8803 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [1,1,0,0,0,0|0,0,1]=3 8804 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [1,1,0,0,0,0|0,0,1]=3 8805 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|1,0,0]=3 8806 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|1,0,0]=3 8807 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|1,0,0]=3 8808 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|1,0,0]=3 8809 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|1,0,0]=3 8810 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,0]=3 8811 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [1,1,0,0,0,0|2,0,0]=4 8812 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|2,0,0]=4 8813 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [1,1,0,0,0,0|2,0,0]=4 8814 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [1,1,0,0,0,0|2,0,0]=4 8815 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [1,1,0,0,0,0|2,0,0]=4 8816 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [1,1,0,0,0,0|2,0,0]=4 8817 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [1,1,0,0,0,0|2,0,0]=4 8818 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [1,1,0,0,0,0|2,0,0]=4 8819 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [1,1,0,0,0,0|2,0,0]=4 8820 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [1,1,0,0,0,0|2,0,0]=4 8821 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [1,1,0,0,0,0|2,0,0]=4 8822 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [1,1,0,0,0,0|2,0,0]=4 8823 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [1,1,0,0,0,0|2,0,0]=4 8824 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [1,1,0,0,0,0|2,0,0]=4 8825 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [1,1,0,0,0,0|2,0,0]=4 8826 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [1,1,0,0,0,0|2,0,0]=4 8827 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [1,1,0,0,0,0|1,0,0]=3 8828 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [1,1,0,0,0,0|0,0,0]=2 8829 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|0,0,0]=2 8830 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [1,1,0,0,0,0|0,0,0]=2 8831 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [1,1,0,0,0,0|0,0,0]=2 8832 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [1,1,0,0,0,0|0,0,0]=2 8833 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|0,0,0]=2 8834 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [1,1,0,0,0,0|1,0,0]=3 8835 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [1,1,0,0,0,0|1,0,0]=3 8836 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [1,1,0,0,0,0|1,0,0]=3 8837 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [1,1,0,0,0,0|1,0,0]=3 8838 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [1,1,0,0,0,0|1,0,0]=3 8839 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [1,1,0,0,0,0|1,0,0]=3 8840 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [1,1,0,0,0,0|1,0,0]=3 8841 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [1,1,0,0,0,0|1,0,0]=3 8842 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 8843 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|2,0,0]=4 8844 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|2,0,0]=4 8845 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|2,0,0]=4 8846 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|2,0,0]=4 8847 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 8848 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [1,1,0,0,0,0|1,0,1]=4 8849 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 8850 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 8851 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 8852 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 8853 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 8854 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 8855 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 8856 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 8857 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 8858 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 8859 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 8860 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 8861 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|2,0,0]=4 8862 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [1,1,0,0,0,0|1,0,0]=3 8863 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [1,1,0,0,0,0|1,0,0]=3 8864 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [1,1,0,0,0,0|1,0,0]=3 8865 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [1,1,0,0,0,0|1,0,0]=3 8866 B11R1.17 CCCOc1nccnc1C 34a_100000766352_100000210303 [1,1,0,0,0,0|2,0,0]=4 8867 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [1,1,0,0,0,0|1,0,1]=4 8868 B11R1.17 CCCSc1cccc[n+]1[O-] 62a_100000210303_200000042595 [1,1,0,0,0,0|1,0,1]=4 8869 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|2,0,0]=4 8870 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|2,0,0]=4 8871 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|2,0,0]=4 8872 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|2,0,0]=4 8873 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|2,0,0]=4 8874 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|2,0,0]=4 8875 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|2,0,0]=4 8876 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|2,0,0]=4 8877 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 8878 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|2,0,0]=4 8879 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|2,0,0]=4 8880 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 8881 B11R1.17 CCCSc1ncc[nH]c1=O 62a_100000210303_100000763361 [1,1,0,0,0,0|2,0,0]=4 8882 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [1,1,0,0,0,0|1,0,0]=3 8883 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [1,1,0,0,0,0|1,0,0]=3 8884 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [1,1,0,0,0,0|1,0,0]=3 8885 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [1,1,0,0,0,0|1,0,0]=3 8886 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [1,1,0,0,0,0|1,0,0]=3 8887 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [1,1,0,0,0,0|1,0,0]=3 8888 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [1,1,0,0,0,0|1,0,0]=3 8889 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [1,1,0,0,0,0|1,0,0]=3 8890 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [1,1,0,0,0,0|1,0,0]=3 8891 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [1,1,0,0,0,0|1,0,0]=3 8892 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [1,1,0,0,0,0|1,0,0]=3 8893 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [1,1,0,0,0,0|1,0,0]=3 8894 B11R1.17 CCCSc1nccnc1C 62a_100000210303_100011999405 [1,1,0,0,0,0|2,0,0]=4 8895 B11R1.17 CCCSc1nccnc1C 62a_100011999405_100000210303 [1,1,0,0,0,0|2,0,0]=4 8896 B11R1.17 CCCSc1nccnc1Cl 62a_100000210303_100010886584 [1,1,0,0,0,0|2,0,0]=4 8897 B11R1.17 CCCSc1nccnc1Cl 62a_100010886584_100000210303 [1,1,0,0,0,0|2,0,0]=4 8898 B11R1.17 CCCSc1nccnc1F 62a_100000210303_200010125657 [1,1,0,0,0,0|2,0,0]=4 8899 B11R1.17 CCCSc1nccnc1F 62a_200010125657_100000210303 [1,1,0,0,0,0|2,0,0]=4 8900 B11R1.17 CCCSc1nccnc1N 62a_100000210303_100000747729 [1,1,0,0,0,0|2,0,0]=4 8901 B11R1.17 CCCSc1nccnc1N 62a_100000747729_100000210303 [1,1,0,0,0,0|2,0,0]=4 8902 B11R1.17 CCCSc1ncncc1C 62a_100000210303_100011998708 [1,1,0,0,0,0|2,0,0]=4 8903 B11R1.17 CCCSc1ncncc1C 62a_100011998708_100000210303 [1,1,0,0,0,0|2,0,0]=4 8904 B11R1.17 CCCSc1ncncc1F 62a_100000069762_100000210303 [1,1,0,0,0,0|2,0,0]=4 8905 B11R1.17 CCCSc1ncncc1F 62a_100000210303_100000069762 [1,1,0,0,0,0|2,0,0]=4 8906 B11R1.17 CCCSc1ncncc1N 62a_100000210303_100000709731 [1,1,0,0,0,0|2,0,0]=4 8907 B11R1.17 CCCSc1ncncc1N 62a_100000709731_100000210303 [1,1,0,0,0,0|2,0,0]=4 8908 B11R1.17 CCCSc1nnccc1C 62a_100000210303_100000089043 [1,1,0,0,0,0|2,0,0]=4 8909 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 8910 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 8911 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|2,0,0]=4 8912 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 8913 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 8914 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 8915 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|2,0,0]=4 8916 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 8917 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|2,0,0]=4 8918 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 8919 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 8920 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|2,0,0]=4 8921 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 8922 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 8923 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 8924 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|2,0,0]=4 8925 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 8926 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|2,0,0]=4 8927 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 8928 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|2,0,0]=4 8929 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 8930 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|2,0,0]=4 8931 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [1,1,0,0,0,0|1,0,0]=3 8932 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [1,1,0,0,0,0|1,0,0]=3 8933 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [1,1,0,0,0,0|1,0,0]=3 8934 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [1,1,0,0,0,0|1,0,0]=3 8935 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [1,1,0,0,0,0|1,0,0]=3 8936 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [1,1,0,0,0,0|1,0,0]=3 8937 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [1,1,0,0,0,0|1,0,0]=3 8938 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [1,1,0,0,0,0|1,0,0]=3 8939 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [1,1,0,0,0,0|1,0,0]=3 8940 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [1,1,0,0,0,0|1,0,0]=3 8941 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [1,1,0,0,0,0|1,0,0]=3 8942 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [1,1,0,0,0,0|1,0,0]=3 8943 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [1,1,0,0,0,0|1,0,0]=3 8944 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [1,1,0,0,0,0|1,0,0]=3 8945 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [1,1,0,0,0,0|1,0,0]=3 8946 B11R1.17 CCNCc1nccnc1C 2230a_100020641712_100000210202 [1,1,0,0,0,0|2,0,0]=4 8947 B11R1.17 CCNCc1nccnc1C 270004a_100015525214_100000050726 [1,1,0,0,0,0|2,0,0]=4 8948 B11R1.17 CCNCc1nccnc1C 34a_100020641712_100000210202 [1,1,0,0,0,0|2,0,0]=4 8949 B11R1.17 CCNCc1nccnc1Cl 2230a_100000729963_100000210202 [1,1,0,0,0,0|2,0,0]=4 8950 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 8951 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|2,0,0]=4 8952 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 8953 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 8954 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|2,0,0]=4 8955 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 8956 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 8957 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|2,0,0]=4 8958 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 8959 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 8960 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|2,0,0]=4 8961 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 8962 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 8963 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|2,0,0]=4 8964 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 8965 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|2,0,0]=4 8966 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|2,0,0]=4 8967 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [1,1,0,0,0,0|1,0,0]=3 8968 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [1,1,0,0,0,0|1,0,0]=3 8969 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [1,1,0,0,0,0|1,0,0]=3 8970 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [1,1,0,0,0,0|1,0,0]=3 8971 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [1,1,0,0,0,0|1,0,0]=3 8972 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [1,1,0,0,0,0|1,0,0]=3 8973 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [1,1,0,0,0,0|1,0,0]=3 8974 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [1,1,0,0,0,0|1,0,0]=3 8975 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [1,1,0,0,0,0|1,0,0]=3 8976 B11R1.17 CCOCc1nccnc1Cl 34a_100000057004_100000210202 [1,1,0,0,0,0|2,0,0]=4 8977 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|2,0,0]=4 8978 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|2,0,0]=4 8979 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|2,0,0]=4 8980 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|2,0,0]=4 8981 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|2,0,0]=4 8982 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|2,0,0]=4 8983 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|2,0,0]=4 8984 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|2,0,0]=4 8985 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|2,0,0]=4 8986 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|2,0,0]=4 8987 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|2,0,0]=4 8988 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [1,1,0,0,0,0|1,0,0]=3 8989 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [1,1,0,0,0,0|1,0,0]=3 8990 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [1,1,0,0,0,0|1,0,0]=3 8991 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [1,1,0,0,0,0|1,0,0]=3 8992 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [1,1,0,0,0,0|1,0,0]=3 8993 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [1,1,0,0,0,0|1,0,0]=3 8994 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [1,1,0,0,0,0|1,0,0]=3 8995 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [1,1,0,0,0,0|1,0,0]=3 8996 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [1,1,0,0,0,0|1,0,0]=3 8997 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [1,1,0,0,0,0|1,0,0]=3 8998 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|2,0,0]=4 8999 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|2,0,0]=4 9000 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|2,0,0]=4 9001 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|2,0,0]=4 9002 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|2,0,0]=4 9003 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|2,0,0]=4 9004 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|2,0,0]=4 9005 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|2,0,0]=4 9006 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|2,0,0]=4 9007 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|2,0,0]=4 9008 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|2,0,0]=4 9009 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|2,0,0]=4 9010 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|2,0,0]=4 9011 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|2,0,0]=4 9012 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|2,0,0]=4 9013 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|2,0,0]=4 9014 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|2,0,0]=4 9015 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|2,0,0]=4 9016 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|2,0,0]=4 9017 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|2,0,0]=4 9018 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|2,0,0]=4 9019 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|2,0,0]=4 9020 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|2,0,0]=4 9021 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|2,0,0]=4 9022 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 9023 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|2,0,0]=4 9024 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 9025 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 9026 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|2,0,0]=4 9027 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 9028 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|2,0,0]=4 9029 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|2,0,0]=4 9030 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|2,0,0]=4 9031 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|2,0,0]=4 9032 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|2,0,0]=4 9033 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|2,0,0]=4 9034 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|2,0,0]=4 9035 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|2,0,0]=4 9036 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|2,0,0]=4 9037 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|2,0,0]=4 9038 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|1,0,0]=3 9039 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|1,0,0]=3 9040 B11R1.17 COCSc1ncccc1Br 62a_100000696092_100000766300 [1,1,0,0,0,0|2,0,0]=4 9041 B11R1.17 COCSc1ncccc1Br 62a_100000766300_100000696092 [1,1,0,0,0,0|2,0,0]=4 9042 B11R1.17 COCSc1ncccc1C 62a_100000751373_100000766300 [1,1,0,0,0,0|2,0,0]=4 9043 B11R1.17 COCSc1ncccc1C 62a_100000766300_100000751373 [1,1,0,0,0,0|2,0,0]=4 9044 B11R1.17 COCSc1ncccc1Cl 62a_100000766300_100011356963 [1,1,0,0,0,0|2,0,0]=4 9045 B11R1.17 COCSc1ncccc1Cl 62a_100011356963_100000766300 [1,1,0,0,0,0|2,0,0]=4 9046 B11R1.17 COCSc1ncccc1F 62a_100000685392_100000766300 [1,1,0,0,0,0|2,0,0]=4 9047 B11R1.17 COCSc1ncccc1F 62a_100000766300_100000685392 [1,1,0,0,0,0|2,0,0]=4 9048 B11R1.17 COCSc1ncccc1N 62a_100000688686_100000766300 [1,1,0,0,0,0|2,0,0]=4 9049 B11R1.17 COCSc1ncccc1N 62a_100000766300_100000688686 [1,1,0,0,0,0|2,0,0]=4 9050 B11R1.17 COCSc1ncccc1O 62a_100000034122_100000766300 [1,1,0,0,0,0|2,0,0]=4 9051 B11R1.17 COCSc1ncccc1O 62a_100000766300_100000034122 [1,1,0,0,0,0|2,0,0]=4 9052 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|2,0,0]=4 9053 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|2,0,0]=4 9054 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|2,0,0]=4 9055 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|2,0,0]=4 9056 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|2,0,0]=4 9057 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|2,0,0]=4 9058 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|2,0,0]=4 9059 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|2,0,0]=4 9060 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|2,0,0]=4 9061 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|2,0,0]=4 9062 B11R1.17 CSCOc1ncccc1Cl 34a_100011290957_100011218213 [1,1,0,0,0,0|2,0,0]=4 9063 B11R1.17 CSCOc1ncccc1F 34a_100011219419_100011218213 [1,1,0,0,0,0|2,0,0]=4 9064 B11R1.17 CSCOc1ncccc1N 34a_100000746358_100011218213 [1,1,0,0,0,0|2,0,0]=4 9065 B11R1.17 CSCSc1ncccc1Br 62a_100000696092_100011218213 [1,1,0,0,0,0|2,0,0]=4 9066 B11R1.17 CSCSc1ncccc1Br 62a_100011218213_100000696092 [1,1,0,0,0,0|2,0,0]=4 9067 B11R1.17 CSCSc1ncccc1C 62a_100000751373_100011218213 [1,1,0,0,0,0|2,0,0]=4 9068 B11R1.17 CSCSc1ncccc1C 62a_100011218213_100000751373 [1,1,0,0,0,0|2,0,0]=4 9069 B11R1.17 CSCSc1ncccc1Cl 62a_100011218213_100011356963 [1,1,0,0,0,0|2,0,0]=4 9070 B11R1.17 CSCSc1ncccc1Cl 62a_100011356963_100011218213 [1,1,0,0,0,0|2,0,0]=4 9071 B11R1.17 CSCSc1ncccc1F 62a_100000685392_100011218213 [1,1,0,0,0,0|2,0,0]=4 9072 B11R1.17 CSCSc1ncccc1F 62a_100011218213_100000685392 [1,1,0,0,0,0|2,0,0]=4 9073 B11R1.17 CSCSc1ncccc1N 62a_100000688686_100011218213 [1,1,0,0,0,0|2,0,0]=4 9074 B11R1.17 CSCSc1ncccc1N 62a_100011218213_100000688686 [1,1,0,0,0,0|2,0,0]=4 9075 B11R1.17 CSCSc1ncccc1O 62a_100000034122_100011218213 [1,1,0,0,0,0|2,0,0]=4 9076 B11R1.17 CSCSc1ncccc1O 62a_100011218213_100000034122 [1,1,0,0,0,0|2,0,0]=4 9077 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|2,0,0]=4 9078 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|2,0,0]=4 9079 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 9080 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 9081 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|2,0,0]=4 9082 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|2,0,0]=4 9083 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|1,0,0]=3 9084 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|1,0,0]=3 9085 B11R1.17 Cc1cccnc1CNCF 34a_100011223789_100015361967 [1,1,0,0,0,0|2,0,0]=4 9086 B11R1.17 Cc1cccnc1COCF 34a_100000698912_100015361967 [1,1,0,0,0,0|2,0,0]=4 9087 B11R1.17 Cc1cccnc1CSCF 62a_100000696600_100015361967 [1,1,0,0,0,0|2,0,0]=4 9088 B11R1.17 Cc1cccnc1CSCF 62a_100015361967_100000696600 [1,1,0,0,0,0|2,0,0]=4 9089 B11R1.17 Cc1cccnc1SCCF 62a_100000751373_100011217306 [1,1,0,0,0,0|2,0,0]=4 9090 B11R1.17 Cc1cccnc1SCCF 62a_100011217306_100000751373 [1,1,0,0,0,0|2,0,0]=4 9091 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [1,1,0,0,0,0|2,0,0]=4 9092 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [1,1,0,0,0,0|2,0,0]=4 9093 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [1,1,0,0,0,0|2,0,0]=4 9094 B11R1.17 FCCOc1ncccc1F 34a_100011219419_100011217306 [1,1,0,0,0,0|2,0,0]=4 9095 B11R1.17 FCCSc1ncccc1Br 62a_100000696092_100011217306 [1,1,0,0,0,0|2,0,0]=4 9096 B11R1.17 FCCSc1ncccc1Br 62a_100011217306_100000696092 [1,1,0,0,0,0|2,0,0]=4 9097 B11R1.17 FCCSc1ncccc1Cl 62a_100011217306_100011356963 [1,1,0,0,0,0|2,0,0]=4 9098 B11R1.17 FCCSc1ncccc1Cl 62a_100011356963_100011217306 [1,1,0,0,0,0|2,0,0]=4 9099 B11R1.17 FCCSc1ncccc1F 62a_100000685392_100011217306 [1,1,0,0,0,0|2,0,0]=4 9100 B11R1.17 FCCSc1ncccc1F 62a_100011217306_100000685392 [1,1,0,0,0,0|2,0,0]=4 9101 B11R1.17 FCNCc1ncccc1F 34a_100000690088_100015361967 [1,1,0,0,0,0|2,0,0]=4 9102 B11R1.17 FCOCc1ncccc1Br 34a_100011996772_100015361967 [1,1,0,0,0,0|2,0,0]=4 9103 B11R1.17 FCOCc1ncccc1Cl 34a_100012002383_100015361967 [1,1,0,0,0,0|2,0,0]=4 9104 B11R1.17 FCOCc1ncccc1F 34a_100011934865_100015361967 [1,1,0,0,0,0|2,0,0]=4 9105 B11R1.17 FCSCc1ncccc1Br 62a_100015361967_100025702911 [1,1,0,0,0,0|2,0,0]=4 9106 B11R1.17 FCSCc1ncccc1Br 62a_100025702911_100015361967 [1,1,0,0,0,0|2,0,0]=4 9107 B11R1.17 FCSCc1ncccc1Cl 62a_100000099807_100015361967 [1,1,0,0,0,0|2,0,0]=4 9108 B11R1.17 FCSCc1ncccc1Cl 62a_100015361967_100000099807 [1,1,0,0,0,0|2,0,0]=4 9109 B11R1.17 FCSCc1ncccc1F 62a_100000104219_100015361967 [1,1,0,0,0,0|2,0,0]=4 9110 B11R1.17 FCSCc1ncccc1F 62a_100015361967_100000104219 [1,1,0,0,0,0|2,0,0]=4 9111 B11R1.17 Nc1cccnc1COCF 34a_114873767017_100015361967 [1,1,0,0,0,0|2,0,0]=4 9112 B11R1.17 Nc1cccnc1OCCF 34a_100000746358_100011217306 [1,1,0,0,0,0|2,0,0]=4 9113 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [1,1,0,0,0,0|2,0,0]=4 9114 B11R1.17 Nc1cccnc1SCCF 62a_100000688686_100011217306 [1,1,0,0,0,0|2,0,0]=4 9115 B11R1.17 Nc1cccnc1SCCF 62a_100011217306_100000688686 [1,1,0,0,0,0|2,0,0]=4 9116 B11R1.17 Nc1cccnc1SCCO 62a_100000211926_100000688686 [1,1,0,0,0,0|2,0,0]=4 9117 B11R1.17 Nc1cccnc1SCCO 62a_100000688686_100000211926 [1,1,0,0,0,0|2,0,0]=4 9118 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|2,0,0]=4 9119 B11R1.17 OCCNc1ncccc1Br 27a_100000210304_100000696092 [1,1,0,0,0,0|2,0,0]=4 9120 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [1,1,0,0,0,0|2,0,0]=4 9121 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [1,1,0,0,0,0|2,0,0]=4 9122 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [1,1,0,0,0,0|2,0,0]=4 9123 B11R1.17 OCCSc1ncccc1Br 62a_100000211926_100000696092 [1,1,0,0,0,0|2,0,0]=4 9124 B11R1.17 OCCSc1ncccc1Br 62a_100000696092_100000211926 [1,1,0,0,0,0|2,0,0]=4 9125 B11R1.17 OCCSc1ncccc1Cl 62a_100000211926_100011356963 [1,1,0,0,0,0|2,0,0]=4 9126 B11R1.17 OCCSc1ncccc1Cl 62a_100011356963_100000211926 [1,1,0,0,0,0|2,0,0]=4 9127 B11R1.17 OCCSc1ncccc1F 62a_100000211926_100000685392 [1,1,0,0,0,0|2,0,0]=4 9128 B11R1.17 OCCSc1ncccc1F 62a_100000685392_100000211926 [1,1,0,0,0,0|2,0,0]=4 9129 B11R1.17 OCCSc1ncccc1O 62a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 9130 B11R1.17 OCCSc1ncccc1O 62a_100000211926_100000034122 [1,1,0,0,0,0|2,0,0]=4 9131 B11R1.17 Oc1cccnc1CSCF 62a_100015361967_200020655725 [1,1,0,0,0,0|2,0,0]=4 9132 B11R1.17 Oc1cccnc1CSCF 62a_200020655725_100015361967 [1,1,0,0,0,0|2,0,0]=4 9133 B11R1.17 Oc1cccnc1SCCF 62a_100000034122_100011217306 [1,1,0,0,0,0|2,0,0]=4 9134 B11R1.17 Oc1cccnc1SCCF 62a_100011217306_100000034122 [1,1,0,0,0,0|2,0,0]=4 9135 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|2,0,0]=4 9136 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|2,0,0]=4 9137 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|2,0,0]=4 9138 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|2,0,0]=4 9139 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|2,0,0]=4 9140 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|2,0,0]=4 9141 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|2,0,0]=4 9142 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 9143 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 9144 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|2,0,0]=4 9145 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|2,0,0]=4 9146 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|2,0,0]=4 9147 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|2,0,0]=4 9148 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|2,0,0]=4 9149 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|2,0,0]=4 9150 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|2,0,0]=4 9151 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|2,0,0]=4 9152 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|2,0,0]=4 9153 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|2,0,0]=4 9154 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|2,0,0]=4 9155 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|2,0,0]=4 9156 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|2,0,0]=4 9157 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|2,0,0]=4 9158 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|2,0,0]=4 9159 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [1,1,0,0,0,0|1,0,0]=3 9160 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,1,0,0,0,0|0,0,0]=2 9161 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,1,0,0,0,0|0,0,0]=2 9162 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,1,0,0,0,0|0,0,0]=2 9163 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,1,0,0,0,0|0,0,0]=2 9164 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,1,0,0,0,0|0,0,0]=2 9165 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [1,1,0,0,0,0|1,0,0]=3 9166 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [1,1,0,0,0,0|1,0,0]=3 9167 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [1,1,0,0,0,0|1,0,0]=3 9168 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [1,1,0,0,0,0|1,0,0]=3 9169 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [1,1,0,0,0,0|1,0,0]=3 9170 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [1,1,0,0,0,0|1,0,0]=3 9171 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|2,0,0]=4 9172 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [1,1,0,0,0,0|1,0,0]=3 9173 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,1,0,0,0,0|2,0,0]=4 9174 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,1,0,0,0,0|2,0,0]=4 9175 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|0,0,1]=3 9176 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|1,0,0]=3 9177 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|1,0,0]=3 9178 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|1,0,0]=3 9179 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|1,0,0]=3 9180 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|1,0,0]=3 9181 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|1,0,0]=3 9182 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|1,0,0]=3 9183 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|1,0,0]=3 9184 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,1,0,0,0,0|0,0,0]=2 9185 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,1,0,0,0,0|0,0,0]=2 9186 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,1,0,0,0,0|0,0,0]=2 9187 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,1,0,0,0,0|0,0,0]=2 9188 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,1,0,0,0,0|2,0,0]=4 9189 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,1,0,0,0,0|2,0,0]=4 9190 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,1,0,0,0,0|2,0,0]=4 9191 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,1,0,0,0,0|2,0,0]=4 9192 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,1,0,0,0,0|2,0,0]=4 9193 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [1,1,0,0,0,0|1,0,0]=3 9194 B11R1.24 CCCCc1ccnc(n1)N 271570a_100020621405_100009820717 [1,1,0,0,0,0|1,0,0]=3 9195 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,1,0,0,0,0|2,0,0]=4 9196 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,1,0,0,0,0|2,0,0]=4 9197 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,1,0,0,0,0|2,0,0]=4 9198 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,1,0,0,0,0|2,0,0]=4 9199 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,1,0,0,0,0|2,0,0]=4 9200 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,1,0,0,0,0|2,0,0]=4 9201 B11R1.24 CCCCc1cncc(n1)C 271570a_100020621405_100009842155 [1,1,0,0,0,0|1,0,0]=3 9202 B11R1.24 CCCCc1cncc(n1)F 271570a_100020621405_200009863489 [1,1,0,0,0,0|1,0,0]=3 9203 B11R1.24 CCCCc1cncc(n1)N 271570a_100020621405_100009819714 [1,1,0,0,0,0|1,0,0]=3 9204 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [1,1,0,0,0,0|1,0,0]=3 9205 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [1,1,0,0,0,0|1,0,0]=3 9206 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [1,1,0,0,0,0|1,0,0]=3 9207 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [1,1,0,0,0,0|1,0,0]=3 9208 B11R1.24 CCCCc1ncnc(n1)N 271570a_100020621405_100000123831 [1,1,0,0,0,0|2,0,0]=4 9209 B11R1.24 CCCNc1cc(ncn1)O 271570a_203496583355_100011443280 [1,1,0,0,0,0|2,0,0]=4 9210 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 9211 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 9212 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 9213 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|2,0,0]=4 9214 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|2,0,0]=4 9215 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|2,0,0]=4 9216 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 9217 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [1,1,0,0,0,0|1,0,0]=3 9218 B11R1.24 CCCNc1cncc(n1)O 271570a_203496583355_200011529425 [1,1,0,0,0,0|2,0,0]=4 9219 B11R1.24 CCCOc1cc(cnn1)C 34a_100000766097_100000210303 [1,1,0,0,0,0|2,0,0]=4 9220 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [1,1,0,0,0,0|1,0,1]=4 9221 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 9222 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 9223 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 9224 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 9225 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 9226 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 9227 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 9228 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 9229 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 9230 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 9231 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 9232 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|2,0,0]=4 9233 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [1,1,0,0,0,0|1,0,0]=3 9234 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [1,1,0,0,0,0|1,0,0]=3 9235 B11R1.24 CCCSc1c[n+](ccn1)[O-] 62a_100000210303_100009880115 [1,1,0,0,0,0|2,0,0]=4 9236 B11R1.24 CCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210303 [1,1,0,0,0,0|2,0,0]=4 9237 B11R1.24 CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210303 [1,1,0,0,0,0|1,0,1]=4 9238 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [1,1,0,0,0,0|1,0,0]=3 9239 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [1,1,0,0,0,0|1,0,0]=3 9240 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [1,1,0,0,0,0|1,0,0]=3 9241 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [1,1,0,0,0,0|1,0,0]=3 9242 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [1,1,0,0,0,0|1,0,0]=3 9243 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [1,1,0,0,0,0|1,0,0]=3 9244 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [1,1,0,0,0,0|1,0,0]=3 9245 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [1,1,0,0,0,0|1,0,0]=3 9246 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [1,1,0,0,0,0|1,0,0]=3 9247 B11R1.24 CCCSc1cc(cnn1)C 62a_100000070100_100000210303 [1,1,0,0,0,0|2,0,0]=4 9248 B11R1.24 CCCSc1cc(cnn1)C 62a_100000210303_100000070100 [1,1,0,0,0,0|2,0,0]=4 9249 B11R1.24 CCCSc1cc(cnn1)N 62a_100000210303_100011996757 [1,1,0,0,0,0|2,0,0]=4 9250 B11R1.24 CCCSc1cc(cnn1)N 62a_100011996757_100000210303 [1,1,0,0,0,0|2,0,0]=4 9251 B11R1.24 CCCSc1cc(cnn1)O 62a_100000210303_200010734679 [1,1,0,0,0,0|2,0,0]=4 9252 B11R1.24 CCCSc1cc(ncn1)C 62a_100000210303_100000744208 [1,1,0,0,0,0|2,0,0]=4 9253 B11R1.24 CCCSc1cc(ncn1)C 62a_100000744208_100000210303 [1,1,0,0,0,0|2,0,0]=4 9254 B11R1.24 CCCSc1cc(ncn1)Cl 62a_100000210303_100010161198 [1,1,0,0,0,0|2,0,0]=4 9255 B11R1.24 CCCSc1cc(ncn1)Cl 62a_100010161198_100000210303 [1,1,0,0,0,0|2,0,0]=4 9256 B11R1.24 CCCSc1cc(ncn1)F 62a_100000210303_200009880791 [1,1,0,0,0,0|2,0,0]=4 9257 B11R1.24 CCCSc1cc(ncn1)F 62a_200009880791_100000210303 [1,1,0,0,0,0|2,0,0]=4 9258 B11R1.24 CCCSc1cc(ncn1)N 62a_100000210303_100000701291 [1,1,0,0,0,0|2,0,0]=4 9259 B11R1.24 CCCSc1cc(ncn1)N 62a_100000701291_100000210303 [1,1,0,0,0,0|2,0,0]=4 9260 B11R1.24 CCCSc1cc(ncn1)O 62a_100000210303_100000765262 [1,1,0,0,0,0|2,0,0]=4 9261 B11R1.24 CCCSc1cc[nH]c(=O)n1 62a_100000210303_200000134032 [1,1,0,0,0,0|2,0,0]=4 9262 B11R1.24 CCCSc1cccc(=O)[nH]1 62a_100000210303_100000752884 [1,1,0,0,0,0|1,0,1]=4 9263 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|2,0,0]=4 9264 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|2,0,0]=4 9265 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|2,0,0]=4 9266 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|2,0,0]=4 9267 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|2,0,0]=4 9268 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|2,0,0]=4 9269 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|2,0,0]=4 9270 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|2,0,0]=4 9271 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 9272 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|2,0,0]=4 9273 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|2,0,0]=4 9274 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|2,0,0]=4 9275 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|2,0,0]=4 9276 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|2,0,0]=4 9277 B11R1.24 CCCSc1cccc(n1)Br 62a_100000210303_100000684672 [1,1,0,0,0,0|1,0,0]=3 9278 B11R1.24 CCCSc1cccc(n1)Br 62a_100000684672_100000210303 [1,1,0,0,0,0|1,0,0]=3 9279 B11R1.24 CCCSc1cccc(n1)C 62a_100000210303_100000742759 [1,1,0,0,0,0|1,0,0]=3 9280 B11R1.24 CCCSc1cccc(n1)C 62a_100000742759_100000210303 [1,1,0,0,0,0|1,0,0]=3 9281 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000051397_100000210303 [1,1,0,0,0,0|1,0,0]=3 9282 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000210303_100000051397 [1,1,0,0,0,0|1,0,0]=3 9283 B11R1.24 CCCSc1cccc(n1)F 62a_100000210303_100009815982 [1,1,0,0,0,0|1,0,0]=3 9284 B11R1.24 CCCSc1cccc(n1)F 62a_100009815982_100000210303 [1,1,0,0,0,0|1,0,0]=3 9285 B11R1.24 CCCSc1cccc(n1)N 62a_100000210303_100000740741 [1,1,0,0,0,0|1,0,0]=3 9286 B11R1.24 CCCSc1cccc(n1)N 62a_100000740741_100000210303 [1,1,0,0,0,0|1,0,0]=3 9287 B11R1.24 CCCSc1ccnc(n1)C 62a_100000210303_100000749937 [1,1,0,0,0,0|2,0,0]=4 9288 B11R1.24 CCCSc1ccnc(n1)C 62a_100000749937_100000210303 [1,1,0,0,0,0|2,0,0]=4 9289 B11R1.24 CCCSc1ccnc(n1)Cl 62a_100000210303_100010154678 [1,1,0,0,0,0|2,0,0]=4 9290 B11R1.24 CCCSc1ccnc(n1)Cl 62a_100010154678_100000210303 [1,1,0,0,0,0|2,0,0]=4 9291 B11R1.24 CCCSc1ccnc(n1)N 62a_100000055538_100000210303 [1,1,0,0,0,0|2,0,0]=4 9292 B11R1.24 CCCSc1ccnc(n1)N 62a_100000210303_100000055538 [1,1,0,0,0,0|2,0,0]=4 9293 B11R1.24 CCCSc1cncc(n1)C 62a_100000210303_100000754123 [1,1,0,0,0,0|2,0,0]=4 9294 B11R1.24 CCCSc1cncc(n1)C 62a_100000754123_100000210303 [1,1,0,0,0,0|2,0,0]=4 9295 B11R1.24 CCCSc1cncc(n1)Cl 62a_100000210303_100010892449 [1,1,0,0,0,0|2,0,0]=4 9296 B11R1.24 CCCSc1cncc(n1)Cl 62a_100010892449_100000210303 [1,1,0,0,0,0|2,0,0]=4 9297 B11R1.24 CCCSc1cncc(n1)F 62a_100000210303_200009863489 [1,1,0,0,0,0|2,0,0]=4 9298 B11R1.24 CCCSc1cncc(n1)F 62a_200009863489_100000210303 [1,1,0,0,0,0|2,0,0]=4 9299 B11R1.24 CCCSc1cncc(n1)N 62a_100000210303_100000747728 [1,1,0,0,0,0|2,0,0]=4 9300 B11R1.24 CCCSc1cncc(n1)N 62a_100000747728_100000210303 [1,1,0,0,0,0|2,0,0]=4 9301 B11R1.24 CCCSc1cncc(n1)O 62a_100000210303_100011269956 [1,1,0,0,0,0|2,0,0]=4 9302 B11R1.24 CCCSc1nccc(n1)C 62a_100000210303_100011243806 [1,1,0,0,0,0|2,0,0]=4 9303 B11R1.24 CCCSc1nccc(n1)C 62a_100011243806_100000210303 [1,1,0,0,0,0|2,0,0]=4 9304 B11R1.24 CCCSc1nccc(n1)N 62a_100000210303_100000757536 [1,1,0,0,0,0|2,0,0]=4 9305 B11R1.24 CCCSc1nccc(n1)N 62a_100000757536_100000210303 [1,1,0,0,0,0|2,0,0]=4 9306 B11R1.24 CCCSc1nccc(n1)O 62a_100000210303_100011649813 [1,1,0,0,0,0|2,0,0]=4 9307 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [1,1,0,0,0,0|1,0,0]=3 9308 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [1,1,0,0,0,0|1,0,0]=3 9309 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [1,1,0,0,0,0|1,0,0]=3 9310 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [1,1,0,0,0,0|1,0,0]=3 9311 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [1,1,0,0,0,0|1,0,0]=3 9312 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [1,1,0,0,0,0|1,0,0]=3 9313 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [1,1,0,0,0,0|1,0,0]=3 9314 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [1,1,0,0,0,0|1,0,1]=4 9315 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [1,1,0,0,0,0|1,0,1]=4 9316 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 9317 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 9318 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|2,0,0]=4 9319 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 9320 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 9321 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 9322 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 9323 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|2,0,0]=4 9324 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 9325 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 9326 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 9327 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 9328 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|2,0,0]=4 9329 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 9330 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 9331 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 9332 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 9333 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|2,0,0]=4 9334 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 9335 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 9336 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 9337 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 9338 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|2,0,0]=4 9339 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 9340 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 9341 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 9342 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 9343 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|2,0,0]=4 9344 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 9345 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|2,0,0]=4 9346 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 9347 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [1,1,0,0,0,0|1,0,0]=3 9348 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [1,1,0,0,0,0|1,0,0]=3 9349 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [1,1,0,0,0,0|1,0,0]=3 9350 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [1,1,0,0,0,0|1,0,0]=3 9351 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [1,1,0,0,0,0|1,0,0]=3 9352 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [1,1,0,0,0,0|1,0,0]=3 9353 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [1,1,0,0,0,0|1,0,0]=3 9354 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [1,1,0,0,0,0|1,0,0]=3 9355 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [1,1,0,0,0,0|1,0,0]=3 9356 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [1,1,0,0,0,0|1,0,0]=3 9357 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [1,1,0,0,0,0|1,0,0]=3 9358 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [1,1,0,0,0,0|1,0,0]=3 9359 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [1,1,0,0,0,0|1,0,0]=3 9360 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [1,1,0,0,0,0|1,0,0]=3 9361 B11R1.24 CCNCc1ccnc(n1)C 270004a_100015525214_100011361539 [1,1,0,0,0,0|2,0,0]=4 9362 B11R1.24 CCNCc1ccnc(n1)Cl 2230a_100015525214_100000099655 [1,1,0,0,0,0|2,0,0]=4 9363 B11R1.24 CCNCc1cncc(n1)C 207a_100015525214_100000100294 [1,1,0,0,0,0|2,0,0]=4 9364 B11R1.24 CCNCc1cncc(n1)C 270004a_100015525214_100000100294 [1,1,0,0,0,0|2,0,0]=4 9365 B11R1.24 CCNCc1nccc(n1)C 2230a_100015186494_100000210202 [1,1,0,0,0,0|2,0,0]=4 9366 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [1,1,0,0,0,0|1,0,0]=3 9367 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [1,1,0,0,0,0|1,0,0]=3 9368 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [1,1,0,0,0,0|1,0,0]=3 9369 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [1,1,0,0,0,0|1,0,0]=3 9370 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [1,1,0,0,0,0|1,0,0]=3 9371 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [1,1,0,0,0,0|1,0,0]=3 9372 B11R1.24 CCOCc1cc(cnn1)C 34a_100016212594_100000210202 [1,1,0,0,0,0|2,0,0]=4 9373 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 9374 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|2,0,0]=4 9375 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 9376 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 9377 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|2,0,0]=4 9378 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 9379 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 9380 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|2,0,0]=4 9381 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 9382 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 9383 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|2,0,0]=4 9384 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 9385 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 9386 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|2,0,0]=4 9387 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 9388 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|2,0,0]=4 9389 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|2,0,0]=4 9390 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|2,0,0]=4 9391 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [1,1,0,0,0,0|1,0,0]=3 9392 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [1,1,0,0,0,0|1,0,0]=3 9393 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [1,1,0,0,0,0|1,0,0]=3 9394 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [1,1,0,0,0,0|1,0,0]=3 9395 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [1,1,0,0,0,0|1,0,0]=3 9396 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [1,1,0,0,0,0|1,0,0]=3 9397 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [1,1,0,0,0,0|1,0,0]=3 9398 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [1,1,0,0,0,0|1,0,0]=3 9399 B11R1.24 CCOCc1ccnc(n1)Cl 34a_100121572206_100000099655 [1,1,0,0,0,0|2,0,0]=4 9400 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [1,1,0,0,0,0|1,0,0]=3 9401 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [1,1,0,0,0,0|1,0,0]=3 9402 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [1,1,0,0,0,0|1,0,0]=3 9403 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [1,1,0,0,0,0|1,0,0]=3 9404 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [1,1,0,0,0,0|1,0,0]=3 9405 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [1,1,0,0,0,0|1,0,0]=3 9406 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|2,0,0]=4 9407 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|2,0,0]=4 9408 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|2,0,0]=4 9409 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|2,0,0]=4 9410 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|2,0,0]=4 9411 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|2,0,0]=4 9412 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|2,0,0]=4 9413 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|2,0,0]=4 9414 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|2,0,0]=4 9415 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|2,0,0]=4 9416 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|2,0,0]=4 9417 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|2,0,0]=4 9418 B11R1.24 CCSCc1cccc(n1)Br 62a_100000210202_100009889011 [1,1,0,0,0,0|1,0,0]=3 9419 B11R1.24 CCSCc1cccc(n1)Br 62a_100009889011_100000210202 [1,1,0,0,0,0|1,0,0]=3 9420 B11R1.24 CCSCc1cccc(n1)C 62a_100000210202_100000757606 [1,1,0,0,0,0|1,0,0]=3 9421 B11R1.24 CCSCc1cccc(n1)C 62a_100000757606_100000210202 [1,1,0,0,0,0|1,0,0]=3 9422 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000086093_100000210202 [1,1,0,0,0,0|1,0,0]=3 9423 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000210202_100000086093 [1,1,0,0,0,0|1,0,0]=3 9424 B11R1.24 CCSCc1cccc(n1)F 62a_100000210202_100009819644 [1,1,0,0,0,0|1,0,0]=3 9425 B11R1.24 CCSCc1cccc(n1)F 62a_100009819644_100000210202 [1,1,0,0,0,0|1,0,0]=3 9426 B11R1.24 CCSCc1ccnc(n1)Cl 62a_100000099655_100000210202 [1,1,0,0,0,0|2,0,0]=4 9427 B11R1.24 CCSCc1ccnc(n1)Cl 62a_100000210202_100000099655 [1,1,0,0,0,0|2,0,0]=4 9428 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|2,0,0]=4 9429 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|2,0,0]=4 9430 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|2,0,0]=4 9431 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|2,0,0]=4 9432 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|2,0,0]=4 9433 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|2,0,0]=4 9434 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|2,0,0]=4 9435 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|2,0,0]=4 9436 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|2,0,0]=4 9437 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|2,0,0]=4 9438 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|2,0,0]=4 9439 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|2,0,0]=4 9440 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|2,0,0]=4 9441 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|2,0,0]=4 9442 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|2,0,0]=4 9443 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|2,0,0]=4 9444 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|2,0,0]=4 9445 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|2,0,0]=4 9446 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|2,0,0]=4 9447 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|2,0,0]=4 9448 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|2,0,0]=4 9449 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|2,0,0]=4 9450 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [1,1,0,0,0,0|1,0,0]=3 9451 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [1,1,0,0,0,0|1,0,0]=3 9452 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|2,0,0]=4 9453 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|2,0,0]=4 9454 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|2,0,0]=4 9455 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|2,0,0]=4 9456 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|2,0,0]=4 9457 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|2,0,0]=4 9458 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|2,0,0]=4 9459 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|2,0,0]=4 9460 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|2,0,0]=4 9461 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|2,0,0]=4 9462 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|2,0,0]=4 9463 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|2,0,0]=4 9464 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|2,0,0]=4 9465 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [1,1,0,0,0,0|1,0,0]=3 9466 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [1,1,0,0,0,0|1,0,0]=3 9467 B11R1.24 COCSc1cc(ccn1)C 62a_100000750283_100000766300 [1,1,0,0,0,0|2,0,0]=4 9468 B11R1.24 COCSc1cc(ccn1)C 62a_100000766300_100000750283 [1,1,0,0,0,0|2,0,0]=4 9469 B11R1.24 COCSc1cc(ccn1)Cl 62a_100000766300_100010167805 [1,1,0,0,0,0|2,0,0]=4 9470 B11R1.24 COCSc1cc(ccn1)Cl 62a_100010167805_100000766300 [1,1,0,0,0,0|2,0,0]=4 9471 B11R1.24 COCSc1cc(ccn1)F 62a_100000764206_100000766300 [1,1,0,0,0,0|2,0,0]=4 9472 B11R1.24 COCSc1cc(ccn1)F 62a_100000766300_100000764206 [1,1,0,0,0,0|2,0,0]=4 9473 B11R1.24 COCSc1cc(ccn1)N 62a_100000766300_100009814236 [1,1,0,0,0,0|2,0,0]=4 9474 B11R1.24 COCSc1cc(ccn1)N 62a_100009814236_100000766300 [1,1,0,0,0,0|2,0,0]=4 9475 B11R1.24 COCSc1cc(ccn1)O 62a_100000766300_100000762945 [1,1,0,0,0,0|2,0,0]=4 9476 B11R1.24 COCSc1cccc(n1)Br 62a_100000684672_100000766300 [1,1,0,0,0,0|2,0,0]=4 9477 B11R1.24 COCSc1cccc(n1)Br 62a_100000766300_100000684672 [1,1,0,0,0,0|2,0,0]=4 9478 B11R1.24 COCSc1cccc(n1)C 62a_100000742759_100000766300 [1,1,0,0,0,0|2,0,0]=4 9479 B11R1.24 COCSc1cccc(n1)C 62a_100000766300_100000742759 [1,1,0,0,0,0|2,0,0]=4 9480 B11R1.24 COCSc1cccc(n1)Cl 62a_100000051397_100000766300 [1,1,0,0,0,0|2,0,0]=4 9481 B11R1.24 COCSc1cccc(n1)Cl 62a_100000766300_100000051397 [1,1,0,0,0,0|2,0,0]=4 9482 B11R1.24 COCSc1cccc(n1)F 62a_100000766300_100009815982 [1,1,0,0,0,0|2,0,0]=4 9483 B11R1.24 COCSc1cccc(n1)F 62a_100009815982_100000766300 [1,1,0,0,0,0|2,0,0]=4 9484 B11R1.24 COCSc1cccc(n1)N 62a_100000740741_100000766300 [1,1,0,0,0,0|2,0,0]=4 9485 B11R1.24 COCSc1cccc(n1)N 62a_100000766300_100000740741 [1,1,0,0,0,0|2,0,0]=4 9486 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|2,0,0]=4 9487 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|2,0,0]=4 9488 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|2,0,0]=4 9489 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|2,0,0]=4 9490 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|2,0,0]=4 9491 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|2,0,0]=4 9492 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|2,0,0]=4 9493 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|2,0,0]=4 9494 B11R1.24 CSCOc1cccc(n1)F 34a_100011432558_100011218213 [1,1,0,0,0,0|2,0,0]=4 9495 B11R1.24 CSCSc1cc(ccn1)C 62a_100000750283_100011218213 [1,1,0,0,0,0|2,0,0]=4 9496 B11R1.24 CSCSc1cc(ccn1)C 62a_100011218213_100000750283 [1,1,0,0,0,0|2,0,0]=4 9497 B11R1.24 CSCSc1cc(ccn1)Cl 62a_100010167805_100011218213 [1,1,0,0,0,0|2,0,0]=4 9498 B11R1.24 CSCSc1cc(ccn1)Cl 62a_100011218213_100010167805 [1,1,0,0,0,0|2,0,0]=4 9499 B11R1.24 CSCSc1cc(ccn1)F 62a_100000764206_100011218213 [1,1,0,0,0,0|2,0,0]=4 9500 B11R1.24 CSCSc1cc(ccn1)F 62a_100011218213_100000764206 [1,1,0,0,0,0|2,0,0]=4 9501 B11R1.24 CSCSc1cc(ccn1)N 62a_100009814236_100011218213 [1,1,0,0,0,0|2,0,0]=4 9502 B11R1.24 CSCSc1cc(ccn1)N 62a_100011218213_100009814236 [1,1,0,0,0,0|2,0,0]=4 9503 B11R1.24 CSCSc1cc(ccn1)O 62a_100011218213_100000762945 [1,1,0,0,0,0|2,0,0]=4 9504 B11R1.24 CSCSc1cccc(n1)Br 62a_100000684672_100011218213 [1,1,0,0,0,0|2,0,0]=4 9505 B11R1.24 CSCSc1cccc(n1)Br 62a_100011218213_100000684672 [1,1,0,0,0,0|2,0,0]=4 9506 B11R1.24 CSCSc1cccc(n1)C 62a_100000742759_100011218213 [1,1,0,0,0,0|2,0,0]=4 9507 B11R1.24 CSCSc1cccc(n1)C 62a_100011218213_100000742759 [1,1,0,0,0,0|2,0,0]=4 9508 B11R1.24 CSCSc1cccc(n1)Cl 62a_100000051397_100011218213 [1,1,0,0,0,0|2,0,0]=4 9509 B11R1.24 CSCSc1cccc(n1)Cl 62a_100011218213_100000051397 [1,1,0,0,0,0|2,0,0]=4 9510 B11R1.24 CSCSc1cccc(n1)F 62a_100009815982_100011218213 [1,1,0,0,0,0|2,0,0]=4 9511 B11R1.24 CSCSc1cccc(n1)F 62a_100011218213_100009815982 [1,1,0,0,0,0|2,0,0]=4 9512 B11R1.24 CSCSc1cccc(n1)N 62a_100000740741_100011218213 [1,1,0,0,0,0|2,0,0]=4 9513 B11R1.24 CSCSc1cccc(n1)N 62a_100011218213_100000740741 [1,1,0,0,0,0|2,0,0]=4 9514 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|2,0,0]=4 9515 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|2,0,0]=4 9516 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|2,0,0]=4 9517 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|2,0,0]=4 9518 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|2,0,0]=4 9519 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|2,0,0]=4 9520 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [1,1,0,0,0,0|1,0,0]=3 9521 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [1,1,0,0,0,0|1,0,0]=3 9522 B11R1.24 Cc1cccc(n1)CNCF 34a_100000701342_100015361967 [1,1,0,0,0,0|2,0,0]=4 9523 B11R1.24 Cc1cccc(n1)COCF 34a_100000690600_100015361967 [1,1,0,0,0,0|2,0,0]=4 9524 B11R1.24 Cc1cccc(n1)CSCF 62a_100000757606_100015361967 [1,1,0,0,0,0|2,0,0]=4 9525 B11R1.24 Cc1cccc(n1)CSCF 62a_100015361967_100000757606 [1,1,0,0,0,0|2,0,0]=4 9526 B11R1.24 Cc1cccc(n1)SCCF 62a_100000742759_100011217306 [1,1,0,0,0,0|2,0,0]=4 9527 B11R1.24 Cc1cccc(n1)SCCF 62a_100011217306_100000742759 [1,1,0,0,0,0|2,0,0]=4 9528 B11R1.24 Cc1cccc(n1)SCCO 62a_100000211926_100000742759 [1,1,0,0,0,0|2,0,0]=4 9529 B11R1.24 Cc1cccc(n1)SCCO 62a_100000742759_100000211926 [1,1,0,0,0,0|2,0,0]=4 9530 B11R1.24 Cc1ccnc(c1)COCF 34a_100011998357_100015361967 [1,1,0,0,0,0|2,0,0]=4 9531 B11R1.24 Cc1ccnc(c1)CSCF 62a_100000718516_100015361967 [1,1,0,0,0,0|2,0,0]=4 9532 B11R1.24 Cc1ccnc(c1)CSCF 62a_100015361967_100000718516 [1,1,0,0,0,0|2,0,0]=4 9533 B11R1.24 Cc1ccnc(c1)SCCF 62a_100000750283_100011217306 [1,1,0,0,0,0|2,0,0]=4 9534 B11R1.24 Cc1ccnc(c1)SCCF 62a_100011217306_100000750283 [1,1,0,0,0,0|2,0,0]=4 9535 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000211926_100000750283 [1,1,0,0,0,0|2,0,0]=4 9536 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000750283_100000211926 [1,1,0,0,0,0|2,0,0]=4 9537 B11R1.24 FCCOc1cccc(n1)F 34a_100011432558_100011217306 [1,1,0,0,0,0|2,0,0]=4 9538 B11R1.24 FCCSc1cc(ccn1)Cl 62a_100010167805_100011217306 [1,1,0,0,0,0|2,0,0]=4 9539 B11R1.24 FCCSc1cc(ccn1)Cl 62a_100011217306_100010167805 [1,1,0,0,0,0|2,0,0]=4 9540 B11R1.24 FCCSc1cc(ccn1)F 62a_100000764206_100011217306 [1,1,0,0,0,0|2,0,0]=4 9541 B11R1.24 FCCSc1cc(ccn1)F 62a_100011217306_100000764206 [1,1,0,0,0,0|2,0,0]=4 9542 B11R1.24 FCCSc1cccc(n1)Br 62a_100000684672_100011217306 [1,1,0,0,0,0|2,0,0]=4 9543 B11R1.24 FCCSc1cccc(n1)Br 62a_100011217306_100000684672 [1,1,0,0,0,0|2,0,0]=4 9544 B11R1.24 FCCSc1cccc(n1)Cl 62a_100000051397_100011217306 [1,1,0,0,0,0|2,0,0]=4 9545 B11R1.24 FCCSc1cccc(n1)Cl 62a_100011217306_100000051397 [1,1,0,0,0,0|2,0,0]=4 9546 B11R1.24 FCCSc1cccc(n1)F 62a_100009815982_100011217306 [1,1,0,0,0,0|2,0,0]=4 9547 B11R1.24 FCCSc1cccc(n1)F 62a_100011217306_100009815982 [1,1,0,0,0,0|2,0,0]=4 9548 B11R1.24 FCNCc1cccc(n1)F 34a_100015188798_100015361967 [1,1,0,0,0,0|2,0,0]=4 9549 B11R1.24 FCOCc1cc(ccn1)Cl 34a_100000748867_100015361967 [1,1,0,0,0,0|2,0,0]=4 9550 B11R1.24 FCOCc1cccc(n1)Br 34a_100000694195_100015361967 [1,1,0,0,0,0|2,0,0]=4 9551 B11R1.24 FCOCc1cccc(n1)Cl 34a_100011998359_100015361967 [1,1,0,0,0,0|2,0,0]=4 9552 B11R1.24 FCOCc1cccc(n1)F 34a_100000086748_100015361967 [1,1,0,0,0,0|2,0,0]=4 9553 B11R1.24 FCSCc1cc(ccn1)Br 62a_100010173614_100015361967 [1,1,0,0,0,0|2,0,0]=4 9554 B11R1.24 FCSCc1cc(ccn1)Br 62a_100015361967_100010173614 [1,1,0,0,0,0|2,0,0]=4 9555 B11R1.24 FCSCc1cc(ccn1)Cl 62a_100015361967_100016988179 [1,1,0,0,0,0|2,0,0]=4 9556 B11R1.24 FCSCc1cc(ccn1)Cl 62a_100016988179_100015361967 [1,1,0,0,0,0|2,0,0]=4 9557 B11R1.24 FCSCc1cccc(n1)Br 62a_100009889011_100015361967 [1,1,0,0,0,0|2,0,0]=4 9558 B11R1.24 FCSCc1cccc(n1)Br 62a_100015361967_100009889011 [1,1,0,0,0,0|2,0,0]=4 9559 B11R1.24 FCSCc1cccc(n1)Cl 62a_100000086093_100015361967 [1,1,0,0,0,0|2,0,0]=4 9560 B11R1.24 FCSCc1cccc(n1)Cl 62a_100015361967_100000086093 [1,1,0,0,0,0|2,0,0]=4 9561 B11R1.24 FCSCc1cccc(n1)F 62a_100009819644_100015361967 [1,1,0,0,0,0|2,0,0]=4 9562 B11R1.24 FCSCc1cccc(n1)F 62a_100015361967_100009819644 [1,1,0,0,0,0|2,0,0]=4 9563 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|2,0,0]=4 9564 B11R1.24 Nc1cccc(n1)SCCF 62a_100000740741_100011217306 [1,1,0,0,0,0|2,0,0]=4 9565 B11R1.24 Nc1cccc(n1)SCCF 62a_100011217306_100000740741 [1,1,0,0,0,0|2,0,0]=4 9566 B11R1.24 Nc1cccc(n1)SCCO 62a_100000211926_100000740741 [1,1,0,0,0,0|2,0,0]=4 9567 B11R1.24 Nc1cccc(n1)SCCO 62a_100000740741_100000211926 [1,1,0,0,0,0|2,0,0]=4 9568 B11R1.24 Nc1ccnc(c1)COCF 34a_100000692640_100015361967 [1,1,0,0,0,0|2,0,0]=4 9569 B11R1.24 Nc1ccnc(c1)SCCF 62a_100009814236_100011217306 [1,1,0,0,0,0|2,0,0]=4 9570 B11R1.24 Nc1ccnc(c1)SCCF 62a_100011217306_100009814236 [1,1,0,0,0,0|2,0,0]=4 9571 B11R1.24 Nc1ccnc(c1)SCCO 62a_100000211926_100009814236 [1,1,0,0,0,0|2,0,0]=4 9572 B11R1.24 Nc1ccnc(c1)SCCO 62a_100009814236_100000211926 [1,1,0,0,0,0|2,0,0]=4 9573 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|2,0,0]=4 9574 B11R1.24 OCCNc1cc(ccn1)F 27a_100000210304_100000764206 [1,1,0,0,0,0|2,0,0]=4 9575 B11R1.24 OCCNc1cccc(n1)F 27a_100000210304_100009815982 [1,1,0,0,0,0|2,0,0]=4 9576 B11R1.24 OCCNc1cccc(n1)O 271570a_203496583355_200011880208 [1,1,0,0,0,0|2,0,0]=4 9577 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [1,1,0,0,0,0|2,0,0]=4 9578 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100000211926_100010167805 [1,1,0,0,0,0|2,0,0]=4 9579 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100010167805_100000211926 [1,1,0,0,0,0|2,0,0]=4 9580 B11R1.24 OCCSc1cc(ccn1)F 62a_100000211926_100000764206 [1,1,0,0,0,0|2,0,0]=4 9581 B11R1.24 OCCSc1cc(ccn1)F 62a_100000764206_100000211926 [1,1,0,0,0,0|2,0,0]=4 9582 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [1,1,0,0,0,0|2,0,0]=4 9583 B11R1.24 OCCSc1cccc(n1)Br 62a_100000211926_100000684672 [1,1,0,0,0,0|2,0,0]=4 9584 B11R1.24 OCCSc1cccc(n1)Br 62a_100000684672_100000211926 [1,1,0,0,0,0|2,0,0]=4 9585 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000051397_100000211926 [1,1,0,0,0,0|2,0,0]=4 9586 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000211926_100000051397 [1,1,0,0,0,0|2,0,0]=4 9587 B11R1.24 OCCSc1cccc(n1)F 62a_100000211926_100009815982 [1,1,0,0,0,0|2,0,0]=4 9588 B11R1.24 OCCSc1cccc(n1)F 62a_100009815982_100000211926 [1,1,0,0,0,0|2,0,0]=4 9589 B11R1.24 Oc1ccnc(c1)SCCF 62a_100011217306_100000762945 [1,1,0,0,0,0|2,0,0]=4 9590 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|2,0,0]=4 9591 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|2,0,0]=4 9592 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|2,0,0]=4 9593 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|2,0,0]=4 9594 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|2,0,0]=4 9595 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|2,0,0]=4 9596 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|2,0,0]=4 9597 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|2,0,0]=4 9598 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|2,0,0]=4 9599 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|2,0,0]=4 9600 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|2,0,0]=4 9601 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|2,0,0]=4 9602 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|2,0,0]=4 9603 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|2,0,0]=4 9604 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|2,0,0]=4 9605 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [1,1,0,0,0,0|1,0,0]=3 9606 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [1,1,0,0,0,0|1,0,0]=3 9607 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|2,0,0]=4 9608 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|2,0,0]=4 9609 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|2,0,0]=4 9610 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|2,0,0]=4 9611 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|2,0,0]=4 9612 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|2,0,0]=4 9613 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [1,1,0,0,0,0|2,0,0]=4 9614 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|2,0,0]=4 9615 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|2,0,0]=4 9616 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,1,0,0,0,0|2,0,0]=4 9617 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,1,0,0,0,0|2,0,0]=4 9618 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,1,0,0,0,0|1,0,0]=3 9619 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [1,1,0,0,0,0|2,0,0]=4 9620 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,1]=4 9621 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,1,0,0,0,0|0,0,1]=3 9622 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,1,0,0,0,0|0,0,1]=3 9623 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [1,1,0,0,0,0|1,0,1]=4 9624 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [1,1,0,0,0,0|1,0,1]=4 9625 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [1,1,0,0,0,0|1,0,1]=4 9626 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|2,0,0]=4 9627 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|2,0,0]=4 9628 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|2,0,0]=4 9629 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|2,0,0]=4 9630 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|2,0,0]=4 9631 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [1,1,0,0,0,0|1,0,0]=3 9632 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [1,1,0,0,0,0|1,0,0]=3 9633 B11R1.40 CCC(C)Sc1cccnn1 62a_100000758301_100016991348 [1,1,0,0,0,0|2,0,0]=4 9634 B11R1.40 CCC(C)Sc1cccnn1 62a_100016991348_100000758301 [1,1,0,0,0,0|2,0,0]=4 9635 B11R1.40 CCC(C)Sc1ccncn1 62a_100000703185_100000758301 [1,1,0,0,0,0|2,0,0]=4 9636 B11R1.40 CCC(C)Sc1ccncn1 62a_100000758301_100000703185 [1,1,0,0,0,0|2,0,0]=4 9637 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [1,1,0,0,0,0|2,0,0]=4 9638 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [1,1,0,0,0,0|2,0,0]=4 9639 B11R1.40 CCC(C)Sc1ncccn1 62a_100000211032_100000758301 [1,1,0,0,0,0|2,0,0]=4 9640 B11R1.40 CCC(C)Sc1ncccn1 62a_100000758301_100000211032 [1,1,0,0,0,0|2,0,0]=4 9641 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,1,0,0,0,0|2,0,0]=4 9642 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 9643 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,1,0,0,0,0|2,0,0]=4 9644 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,1,0,0,0,0|2,0,0]=4 9645 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 9646 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,1,0,0,0,0|2,0,0]=4 9647 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [1,1,0,0,0,0|1,0,0]=3 9648 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [1,1,0,0,0,0|1,0,0]=3 9649 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [1,1,0,0,0,0|1,0,0]=3 9650 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [1,1,0,0,0,0|1,0,0]=3 9651 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [1,1,0,0,0,0|1,0,0]=3 9652 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [1,1,0,0,0,0|1,0,0]=3 9653 B11R1.40 CCN(C)Cc1cccnn1 2230a_100000225621_100016990269 [1,1,0,0,0,0|2,0,0]=4 9654 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [1,1,0,0,0,0|2,0,0]=4 9655 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [1,1,0,0,0,0|2,0,0]=4 9656 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [1,1,0,0,0,0|2,0,0]=4 9657 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [1,1,0,0,0,0|2,0,0]=4 9658 B11R1.40 CCN(C)Cc1ncccn1 2230a_100000225621_100000703007 [1,1,0,0,0,0|2,0,0]=4 9659 B11R1.40 CCN(C)Cc1ncccn1 2230a_100025716638_100000210202 [1,1,0,0,0,0|2,0,0]=4 9660 B11R1.40 CCN(C)Cc1ncccn1 269982a_100000225621_100000703007 [1,1,0,0,0,0|2,0,0]=4 9661 B11R1.40 CCN(C)Cc1ncccn1 269982a_100025716638_100000204670 [1,1,0,0,0,0|2,0,0]=4 9662 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 9663 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 9664 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [1,1,0,0,0,0|1,0,0]=3 9665 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [1,1,0,0,0,0|1,0,0]=3 9666 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [1,1,0,0,0,0|2,0,0]=4 9667 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,1,0,0,0,0|1,0,1]=4 9668 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,1,0,0,0,0|2,0,0]=4 9669 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,1,0,0,0,0|2,0,0]=4 9670 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,1,0,0,0,0|1,0,0]=3 9671 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [1,1,0,0,0,0|2,0,0]=4 9672 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [1,1,0,0,0,0|2,0,0]=4 9673 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|2,0,0]=4 9674 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|2,0,0]=4 9675 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|2,0,0]=4 9676 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [1,1,0,0,0,0|2,0,0]=4 9677 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [1,1,0,0,0,0|2,0,0]=4 9678 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,1,0,0,0,0|2,0,0]=4 9679 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,1,0,0,0,0|2,0,0]=4 9680 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [1,1,0,0,0,0|2,0,0]=4 9681 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [1,1,0,0,0,0|2,0,0]=4 9682 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [1,1,0,0,0,0|1,0,1]=4 9683 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [1,1,0,0,0,0|1,0,1]=4 9684 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [1,1,0,0,0,0|1,0,1]=4 9685 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [1,1,0,0,0,0|1,0,1]=4 9686 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|1,0,1]=4 9687 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|1,0,1]=4 9688 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,1,0,0,0,0|0,0,1]=3 9689 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,1,0,0,0,0|0,0,1]=3 9690 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [1,1,0,0,0,0|1,0,1]=4 9691 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [1,1,0,0,0,0|1,0,1]=4 9692 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [1,1,0,0,0,0|1,0,1]=4 9693 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [1,1,0,0,0,0|1,0,1]=4 9694 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [1,1,0,0,0,0|1,0,1]=4 9695 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [1,1,0,0,0,0|1,0,1]=4 9696 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [1,1,0,0,0,0|0,0,2]=4 9697 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|2,0,0]=4 9698 B11R1.91 CC(C)CNc1cccnn1 27a_100000210953_100016991348 [1,1,0,0,0,0|2,0,0]=4 9699 B11R1.91 CC(C)CNc1ccncn1 27a_100000210953_100000703185 [1,1,0,0,0,0|2,0,0]=4 9700 B11R1.91 CC(C)CNc1cnccn1 27a_100000210953_100000211759 [1,1,0,0,0,0|2,0,0]=4 9701 B11R1.91 CC(C)CNc1ncccn1 27a_100000210953_100000211032 [1,1,0,0,0,0|2,0,0]=4 9702 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|2,0,0]=4 9703 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|2,0,0]=4 9704 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|2,0,0]=4 9705 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|2,0,0]=4 9706 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [1,1,0,0,0,0|1,0,0]=3 9707 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [1,1,0,0,0,0|1,0,0]=3 9708 B11R1.91 CC(C)CSc1cccnn1 62a_100000210624_100016991348 [1,1,0,0,0,0|2,0,0]=4 9709 B11R1.91 CC(C)CSc1cccnn1 62a_100016991348_100000210760 [1,1,0,0,0,0|2,0,0]=4 9710 B11R1.91 CC(C)CSc1ccncn1 62a_100000210624_100000703185 [1,1,0,0,0,0|2,0,0]=4 9711 B11R1.91 CC(C)CSc1ccncn1 62a_100000703185_100000210760 [1,1,0,0,0,0|2,0,0]=4 9712 B11R1.91 CC(C)CSc1cnccn1 62a_100000210624_100000211759 [1,1,0,0,0,0|2,0,0]=4 9713 B11R1.91 CC(C)CSc1cnccn1 62a_100000211759_100000210760 [1,1,0,0,0,0|2,0,0]=4 9714 B11R1.91 CC(C)CSc1ncccn1 62a_100000210624_100000211032 [1,1,0,0,0,0|2,0,0]=4 9715 B11R1.91 CC(C)CSc1ncccn1 62a_100000211032_100000210760 [1,1,0,0,0,0|2,0,0]=4 9716 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|2,0,0]=4 9717 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 9718 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 9719 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 9720 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 9721 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [1,1,0,0,0,0|1,0,0]=3 9722 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [1,1,0,0,0,0|1,0,0]=3 9723 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [1,1,0,0,0,0|1,0,0]=3 9724 B11R1.91 CC(C)NCc1cccnn1 2230a_100138425928_100016990269 [1,1,0,0,0,0|2,0,0]=4 9725 B11R1.91 CC(C)NCc1cccnn1 2230a_100159270163_100000210206 [1,1,0,0,0,0|2,0,0]=4 9726 B11R1.91 CC(C)NCc1cccnn1 34a_100138425928_100016990269 [1,1,0,0,0,0|2,0,0]=4 9727 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [1,1,0,0,0,0|2,0,0]=4 9728 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [1,1,0,0,0,0|2,0,0]=4 9729 B11R1.91 CC(C)NCc1ncccn1 2230a_100138425928_100000703007 [1,1,0,0,0,0|2,0,0]=4 9730 B11R1.91 CC(C)NCc1ncccn1 34a_100138425928_100000703007 [1,1,0,0,0,0|2,0,0]=4 9731 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 9732 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|2,0,0]=4 9733 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 9734 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [1,1,0,0,0,0|1,0,0]=3 9735 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [1,1,0,0,0,0|2,0,0]=4 9736 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [1,1,0,0,0,0|2,0,0]=4 9737 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [1,1,0,0,0,0|2,0,0]=4 9738 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|2,0,0]=4 9739 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|2,0,0]=4 9740 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [1,1,0,0,0,0|1,0,0]=3 9741 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [1,1,0,0,0,0|1,0,0]=3 9742 B11R1.91 CC(C)SCc1cccnn1 62a_100000210206_100016990269 [1,1,0,0,0,0|2,0,0]=4 9743 B11R1.91 CC(C)SCc1cccnn1 62a_100016990269_100000210206 [1,1,0,0,0,0|2,0,0]=4 9744 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [1,1,0,0,0,0|2,0,0]=4 9745 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [1,1,0,0,0,0|2,0,0]=4 9746 B11R1.91 CC(C)SCc1ncccn1 62a_100000210206_100000703007 [1,1,0,0,0,0|2,0,0]=4 9747 B11R1.91 CC(C)SCc1ncccn1 62a_100000703007_100000210206 [1,1,0,0,0,0|2,0,0]=4 9748 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [1,1,0,0,0,0|0,0,2]=4 9749 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|2,0,0]=4 9750 B11R1.91 CC(O)CNc1cccnn1 27a_100000210904_100016991348 [1,1,0,0,0,0|2,0,0]=4 9751 B11R1.91 CC(O)CNc1ccncn1 27a_100000210904_100000703185 [1,1,0,0,0,0|2,0,0]=4 9752 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [1,1,0,0,0,0|2,0,0]=4 9753 B11R1.91 CC(O)CNc1ncccn1 27a_100000210904_100000211032 [1,1,0,0,0,0|2,0,0]=4 9754 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 9755 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 9756 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|2,0,0]=4 9757 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|2,0,0]=4 9758 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [1,1,0,0,0,0|1,0,0]=3 9759 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [1,1,0,0,0,0|1,0,0]=3 9760 B11R1.91 CC(O)CSc1cccnn1 62a_100011218427_100016991348 [1,1,0,0,0,0|2,0,0]=4 9761 B11R1.91 CC(O)CSc1cccnn1 62a_100016991348_100011218427 [1,1,0,0,0,0|2,0,0]=4 9762 B11R1.91 CC(O)CSc1ccncn1 62a_100000703185_100011218427 [1,1,0,0,0,0|2,0,0]=4 9763 B11R1.91 CC(O)CSc1ccncn1 62a_100011218427_100000703185 [1,1,0,0,0,0|2,0,0]=4 9764 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [1,1,0,0,0,0|2,0,0]=4 9765 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [1,1,0,0,0,0|2,0,0]=4 9766 B11R1.91 CC(O)CSc1ncccn1 62a_100000211032_100011218427 [1,1,0,0,0,0|2,0,0]=4 9767 B11R1.91 CC(O)CSc1ncccn1 62a_100011218427_100000211032 [1,1,0,0,0,0|2,0,0]=4 9768 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,1,0,0,0,0|2,0,0]=4 9769 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,1,0,0,0,0|2,0,0]=4 9770 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,1,0,0,0,0|2,0,0]=4 9771 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,1,0,0,0,0|2,0,0]=4 9772 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [1,1,0,0,0,0|1,0,0]=3 9773 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [1,1,0,0,0,0|1,0,0]=3 9774 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [1,1,0,0,0,0|1,0,0]=3 9775 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [1,1,0,0,0,0|1,0,0]=3 9776 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,1,0,0,0,0|2,0,0]=4 9777 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,1,0,0,0,0|2,0,0]=4 9778 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [1,1,0,0,0,0|1,0,0]=3 9779 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [1,1,0,0,0,0|1,0,0]=3 9780 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|2,0,0]=4 9781 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 9782 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 9783 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|2,0,0]=4 9784 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|2,0,0]=4 9785 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [1,1,0,0,0,0|1,0,0]=3 9786 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [1,1,0,0,0,0|1,0,0]=3 9787 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100009817552_100016991348 [1,1,0,0,0,0|2,0,0]=4 9788 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100016991348_100009817552 [1,1,0,0,0,0|2,0,0]=4 9789 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100000703185_100009817552 [1,1,0,0,0,0|2,0,0]=4 9790 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100009817552_100000703185 [1,1,0,0,0,0|2,0,0]=4 9791 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [1,1,0,0,0,0|2,0,0]=4 9792 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [1,1,0,0,0,0|2,0,0]=4 9793 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100000211032_100009817552 [1,1,0,0,0,0|2,0,0]=4 9794 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100009817552_100000211032 [1,1,0,0,0,0|2,0,0]=4 9795 B11R1.91 FC(F)CSc1ccccn1 62a_100011216584_100011934356 [1,1,0,0,0,0|2,0,0]=4 9796 B11R1.91 FC(F)CSc1ccccn1 62a_100011934356_100011216584 [1,1,0,0,0,0|2,0,0]=4 9797 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|1,0,1]=4 9798 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,1,0,0,0,0|0,0,1]=3 9799 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [1,1,0,0,0,0|1,0,1]=4 9800 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [1,1,0,0,0,0|1,0,1]=4 9801 B11R1.4 BrCCCOCc1c[nH]cn1 34a_100011217188_100000707719 [0,1,0,0,1,0|2,0,0]=4 9802 B11R1.4 BrCCCOCc1ccon1 34a_100011217188_100000234950 [0,1,0,0,1,0|2,0,0]=4 9803 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [0,1,0,0,1,0|2,0,0]=4 9804 B11R1.4 BrCCCOCc1cscn1 34a_100011217188_100000205941 [0,1,0,0,1,0|2,0,0]=4 9805 B11R1.4 BrCCCOCc1ncc[nH]1 34a_100011217188_100016991755 [0,1,0,0,1,0|2,0,0]=4 9806 B11R1.4 BrCCCOCc1ncco1 34a_100011217188_103436540062 [0,1,0,0,1,0|2,0,0]=4 9807 B11R1.4 BrCCCOCc1nccs1 34a_100011217188_100015184050 [0,1,0,0,1,0|2,0,0]=4 9808 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [0,1,0,0,1,0|2,0,0]=4 9809 B11R1.4 BrCCOCCn1cccn1 34a_100000211926_100015204718 [0,1,0,0,1,0|2,0,0]=4 9810 B11R1.4 CCCCC=Cc1c[nH]cn1 271570a_100016275911_100000756875 [0,1,0,0,1,0|1,0,1]=4 9811 B11R1.4 CCCCC=Cc1cc[nH]n1 271570a_100016275911_100000062575 [0,1,0,0,1,0|1,0,1]=4 9812 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,1,0,0,1,0|1,0,1]=4 9813 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [0,1,0,0,1,0|1,0,1]=4 9814 B11R1.4 CCCCC=Cc1ccoc1 271570a_100016275911_100011215275 [0,1,0,0,1,0|1,0,1]=4 9815 B11R1.4 CCCCC=Cc1ccsc1 271570a_100016275911_100000738268 [0,1,0,0,1,0|1,0,1]=4 9816 B11R1.4 CCCCC=Cc1ccsn1 271570a_100016275911_100009818082 [0,1,0,0,1,0|1,0,1]=4 9817 B11R1.4 CCCCC=Cc1cscn1 271570a_100016275911_100000751502 [0,1,0,0,1,0|1,0,1]=4 9818 B11R1.4 CCCCC=Cc1ncc[nH]1 271570a_100016275911_100025796157 [0,1,0,0,1,0|1,0,1]=4 9819 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [0,1,0,0,1,0|1,0,1]=4 9820 B11R1.4 CCCCC=Cc1nccs1 271570a_100016275911_100000211983 [0,1,0,0,1,0|1,0,1]=4 9821 B11R1.4 CCCCCNc1ncns1 27a_100000209983_100000693119 [0,1,0,0,1,0|2,0,0]=4 9822 B11R1.4 CCCCCNc1nncs1 27a_100000209983_100000739804 [0,1,0,0,1,0|2,0,0]=4 9823 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [0,1,0,0,1,0|1,0,0]=3 9824 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [0,1,0,0,1,0|1,0,0]=3 9825 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000210326_100000756875 [0,1,0,0,1,0|1,0,0]=3 9826 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000756875_100000210326 [0,1,0,0,1,0|1,0,0]=3 9827 B11R1.4 CCCCCSc1c[nH]nn1 62a_100000210326_100009819707 [0,1,0,0,1,0|2,0,0]=4 9828 B11R1.4 CCCCCSc1c[nH]nn1 62a_100009819707_100000210326 [0,1,0,0,1,0|2,0,0]=4 9829 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000062575_100000210326 [0,1,0,0,1,0|1,0,0]=3 9830 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000210326_100000062575 [0,1,0,0,1,0|1,0,0]=3 9831 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,1,0,0,1,0|1,0,0]=3 9832 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,1,0,0,1,0|1,0,0]=3 9833 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [0,1,0,0,1,0|1,0,0]=3 9834 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [0,1,0,0,1,0|1,0,0]=3 9835 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [0,1,0,0,1,0|1,0,0]=3 9836 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [0,1,0,0,1,0|1,0,0]=3 9837 B11R1.4 CCCCCSc1ccon1 62a_100000210326_100009818083 [0,1,0,0,1,0|1,0,0]=3 9838 B11R1.4 CCCCCSc1ccon1 62a_100009818083_100000210326 [0,1,0,0,1,0|1,0,0]=3 9839 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [0,1,0,0,1,0|1,0,0]=3 9840 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [0,1,0,0,1,0|1,0,0]=3 9841 B11R1.4 CCCCCSc1ccsn1 62a_100000210326_100009818082 [0,1,0,0,1,0|1,0,0]=3 9842 B11R1.4 CCCCCSc1ccsn1 62a_100009818082_100000210326 [0,1,0,0,1,0|1,0,0]=3 9843 B11R1.4 CCCCCSc1cn[nH]c1 62a_100000210326_100000238712 [0,1,0,0,1,0|2,0,0]=4 9844 B11R1.4 CCCCCSc1cn[nH]c1 62a_100000238712_100000210326 [0,1,0,0,1,0|2,0,0]=4 9845 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [0,1,0,0,1,0|2,0,0]=4 9846 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [0,1,0,0,1,0|2,0,0]=4 9847 B11R1.4 CCCCCSc1cncs1 62a_100000210326_100011934649 [0,1,0,0,1,0|2,0,0]=4 9848 B11R1.4 CCCCCSc1cncs1 62a_100011934649_100000210326 [0,1,0,0,1,0|2,0,0]=4 9849 B11R1.4 CCCCCSc1cnoc1 62a_100000210326_100009815712 [0,1,0,0,1,0|2,0,0]=4 9850 B11R1.4 CCCCCSc1cnoc1 62a_100009815712_100000210326 [0,1,0,0,1,0|2,0,0]=4 9851 B11R1.4 CCCCCSc1cnsc1 62a_100000210326_100009815736 [0,1,0,0,1,0|2,0,0]=4 9852 B11R1.4 CCCCCSc1cnsc1 62a_100009815736_100000210326 [0,1,0,0,1,0|2,0,0]=4 9853 B11R1.4 CCCCCSc1cscn1 62a_100000210326_100000751502 [0,1,0,0,1,0|1,0,0]=3 9854 B11R1.4 CCCCCSc1cscn1 62a_100000751502_100000210326 [0,1,0,0,1,0|1,0,0]=3 9855 B11R1.4 CCCCCSc1nc[nH]n1 62a_100000210326_100000761765 [0,1,0,0,1,0|2,0,0]=4 9856 B11R1.4 CCCCCSc1nc[nH]n1 62a_100000761765_100000210326 [0,1,0,0,1,0|2,0,0]=4 9857 B11R1.4 CCCCCSc1ncc[nH]1 62a_100000210326_100025796157 [0,1,0,0,1,0|1,0,0]=3 9858 B11R1.4 CCCCCSc1ncc[nH]1 62a_100025796157_100000210326 [0,1,0,0,1,0|1,0,0]=3 9859 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [0,1,0,0,1,0|1,0,0]=3 9860 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [0,1,0,0,1,0|1,0,0]=3 9861 B11R1.4 CCCCCSc1nccs1 62a_100000210326_100000211983 [0,1,0,0,1,0|1,0,0]=3 9862 B11R1.4 CCCCCSc1nccs1 62a_100000211983_100000210326 [0,1,0,0,1,0|1,0,0]=3 9863 B11R1.4 CCCCCSc1ncns1 62a_100000210326_100000693119 [0,1,0,0,1,0|2,0,0]=4 9864 B11R1.4 CCCCCSc1ncns1 62a_100000693119_100000210326 [0,1,0,0,1,0|2,0,0]=4 9865 B11R1.4 CCCCCSc1nncs1 62a_100000210326_100000739804 [0,1,0,0,1,0|2,0,0]=4 9866 B11R1.4 CCCCCSc1nncs1 62a_100000739804_100000210326 [0,1,0,0,1,0|2,0,0]=4 9867 B11R1.4 CCCCNCc1c[nH]cn1 2230a_100000102301_100000707719 [0,1,0,0,1,0|1,0,0]=3 9868 B11R1.4 CCCCNCc1cc[nH]n1 207a_100000102301_100000738523 [0,1,0,0,1,0|1,0,0]=3 9869 B11R1.4 CCCCNCc1cc[nH]n1 270004a_100000102301_100000738523 [0,1,0,0,1,0|1,0,0]=3 9870 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,1,0,0,1,0|1,0,0]=3 9871 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,1,0,0,1,0|1,0,0]=3 9872 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,1,0,0,1,0|1,0,0]=3 9873 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,1,0,0,1,0|1,0,0]=3 9874 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [0,1,0,0,1,0|1,0,0]=3 9875 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [0,1,0,0,1,0|1,0,0]=3 9876 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [0,1,0,0,1,0|1,0,0]=3 9877 B11R1.4 CCCCNCc1ccn[nH]1 2230a_100000102301_100000728653 [0,1,0,0,1,0|1,0,1]=4 9878 B11R1.4 CCCCNCc1ccn[nH]1 7a_106832991798_100000728653 [0,1,0,0,1,0|1,0,1]=4 9879 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [0,1,0,0,1,0|1,0,0]=3 9880 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [0,1,0,0,1,0|1,0,0]=3 9881 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [0,1,0,0,1,0|1,0,0]=3 9882 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [0,1,0,0,1,0|1,0,0]=3 9883 B11R1.4 CCCCNCc1ccon1 2230a_100000102301_100000234950 [0,1,0,0,1,0|1,0,0]=3 9884 B11R1.4 CCCCNCc1ccon1 7a_106832991798_100000234950 [0,1,0,0,1,0|1,0,0]=3 9885 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [0,1,0,0,1,0|1,0,0]=3 9886 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [0,1,0,0,1,0|1,0,0]=3 9887 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [0,1,0,0,1,0|1,0,0]=3 9888 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [0,1,0,0,1,0|1,0,0]=3 9889 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [0,1,0,0,1,0|1,0,0]=3 9890 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [0,1,0,0,1,0|1,0,0]=3 9891 B11R1.4 CCCCNCc1cn[nH]c1 207a_100000102301_100016992096 [0,1,0,0,1,0|2,0,0]=4 9892 B11R1.4 CCCCNCc1cn[nH]c1 270004a_100000102301_100016992096 [0,1,0,0,1,0|2,0,0]=4 9893 B11R1.4 CCCCNCc1cnc[nH]1 207a_100000102301_100000742939 [0,1,0,0,1,0|1,0,1]=4 9894 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [0,1,0,0,1,0|2,0,0]=4 9895 B11R1.4 CCCCNCc1cncs1 207a_100000102301_100000749870 [0,1,0,0,1,0|2,0,0]=4 9896 B11R1.4 CCCCNCc1cncs1 2230a_100000102301_100015185245 [0,1,0,0,1,0|2,0,0]=4 9897 B11R1.4 CCCCNCc1cncs1 2230a_100016987365_100000210211 [0,1,0,0,1,0|2,0,0]=4 9898 B11R1.4 CCCCNCc1cncs1 270004a_100000102301_100000749870 [0,1,0,0,1,0|2,0,0]=4 9899 B11R1.4 CCCCNCc1cncs1 7a_106832991798_100015185245 [0,1,0,0,1,0|2,0,0]=4 9900 B11R1.4 CCCCNCc1cocn1 270004a_100000102301_100000050382 [0,1,0,0,1,0|1,0,0]=3 9901 B11R1.4 CCCCNCc1cscn1 207a_100000102301_100000743575 [0,1,0,0,1,0|1,0,0]=3 9902 B11R1.4 CCCCNCc1cscn1 2230a_100000102301_100000205941 [0,1,0,0,1,0|1,0,0]=3 9903 B11R1.4 CCCCNCc1cscn1 2230a_100015185402_100000210211 [0,1,0,0,1,0|1,0,0]=3 9904 B11R1.4 CCCCNCc1cscn1 270004a_100000102301_100000743575 [0,1,0,0,1,0|1,0,0]=3 9905 B11R1.4 CCCCNCc1cscn1 7a_106832991798_100000205941 [0,1,0,0,1,0|1,0,0]=3 9906 B11R1.4 CCCCNCc1csnn1 270004a_100000102301_100000738508 [0,1,0,0,1,0|2,0,0]=4 9907 B11R1.4 CCCCNCc1ncc[nH]1 207a_100000102301_100000743867 [0,1,0,0,1,0|1,0,0]=3 9908 B11R1.4 CCCCNCc1ncc[nH]1 2230a_100000102301_100016991755 [0,1,0,0,1,0|1,0,0]=3 9909 B11R1.4 CCCCNCc1ncc[nH]1 7a_106832991798_100000753453 [0,1,0,0,1,0|1,0,0]=3 9910 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [0,1,0,0,1,0|1,0,0]=3 9911 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [0,1,0,0,1,0|1,0,0]=3 9912 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [0,1,0,0,1,0|1,0,0]=3 9913 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [0,1,0,0,1,0|1,0,0]=3 9914 B11R1.4 CCCCNCc1nccs1 207a_100000102301_100000750902 [0,1,0,0,1,0|1,0,0]=3 9915 B11R1.4 CCCCNCc1nccs1 2230a_100000102301_100015184050 [0,1,0,0,1,0|1,0,0]=3 9916 B11R1.4 CCCCNCc1nccs1 2230a_100000740555_100000210211 [0,1,0,0,1,0|1,0,0]=3 9917 B11R1.4 CCCCNCc1nccs1 270004a_100000102301_100000750902 [0,1,0,0,1,0|1,0,0]=3 9918 B11R1.4 CCCCNCc1nccs1 7a_106832991798_100015184050 [0,1,0,0,1,0|1,0,0]=3 9919 B11R1.4 CCCCNCc1nnc[nH]1 2230a_200015183720_100000210211 [0,1,0,0,1,0|2,0,0]=4 9920 B11R1.4 CCCCNCn1cncn1 2230a_100000102301_200020645497 [0,1,0,0,1,0|2,0,0]=4 9921 B11R1.4 CCCCNCn1cncn1 7a_106832991798_200020645497 [0,1,0,0,1,0|2,0,0]=4 9922 B11R1.4 CCCCOCc1c[nH]cn1 34a_100000210227_100000707719 [0,1,0,0,1,0|1,0,0]=3 9923 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,1,0,0,1,0|1,0,0]=3 9924 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [0,1,0,0,1,0|1,0,0]=3 9925 B11R1.4 CCCCOCc1ccn[nH]1 34a_100000210227_100000728653 [0,1,0,0,1,0|1,0,1]=4 9926 B11R1.4 CCCCOCc1ccn[nH]1 7a_100000210227_100000728653 [0,1,0,0,1,0|1,0,1]=4 9927 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [0,1,0,0,1,0|2,0,0]=4 9928 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [0,1,0,0,1,0|1,0,0]=3 9929 B11R1.4 CCCCOCc1ccon1 34a_100000210227_100000234950 [0,1,0,0,1,0|1,0,0]=3 9930 B11R1.4 CCCCOCc1ccon1 7a_100000210227_100000234950 [0,1,0,0,1,0|1,0,0]=3 9931 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [0,1,0,0,1,0|1,0,0]=3 9932 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [0,1,0,0,1,0|1,0,0]=3 9933 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [0,1,0,0,1,0|1,0,0]=3 9934 B11R1.4 CCCCOCc1cncs1 34a_100000210227_100015185245 [0,1,0,0,1,0|2,0,0]=4 9935 B11R1.4 CCCCOCc1cncs1 7a_100000210227_100015185245 [0,1,0,0,1,0|2,0,0]=4 9936 B11R1.4 CCCCOCc1cscn1 34a_100000210227_100000205941 [0,1,0,0,1,0|1,0,0]=3 9937 B11R1.4 CCCCOCc1cscn1 7a_100000210227_100000205941 [0,1,0,0,1,0|1,0,0]=3 9938 B11R1.4 CCCCOCc1ncc[nH]1 34a_100000210227_100016991755 [0,1,0,0,1,0|1,0,0]=3 9939 B11R1.4 CCCCOCc1ncc[nH]1 7a_100000210227_100000753453 [0,1,0,0,1,0|1,0,0]=3 9940 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [0,1,0,0,1,0|1,0,0]=3 9941 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [0,1,0,0,1,0|1,0,0]=3 9942 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [0,1,0,0,1,0|1,0,0]=3 9943 B11R1.4 CCCCOCc1nccs1 34a_100000210227_100015184050 [0,1,0,0,1,0|1,0,0]=3 9944 B11R1.4 CCCCOCc1nccs1 7a_100000210227_100015184050 [0,1,0,0,1,0|1,0,0]=3 9945 B11R1.4 CCCCOCc1ncon1 34a_100000210227_100000233494 [0,1,0,0,1,0|2,0,0]=4 9946 B11R1.4 CCCCOCn1cccn1 34a_100000731028_100000210210 [0,1,0,0,1,0|1,0,0]=3 9947 B11R1.4 CCCCOCn1cncn1 34a_100000210227_200020645497 [0,1,0,0,1,0|2,0,0]=4 9948 B11R1.4 CCCCOCn1cncn1 7a_100000210227_200020645497 [0,1,0,0,1,0|2,0,0]=4 9949 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000210211_100000707719 [0,1,0,0,1,0|1,0,0]=3 9950 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000707719_100000210210 [0,1,0,0,1,0|1,0,0]=3 9951 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000210211_100000728653 [0,1,0,0,1,0|1,0,1]=4 9952 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000728653_100000210210 [0,1,0,0,1,0|1,0,1]=4 9953 B11R1.4 CCCCSCc1ccon1 62a_100000210211_100000234950 [0,1,0,0,1,0|1,0,0]=3 9954 B11R1.4 CCCCSCc1ccon1 62a_100000234950_100000210210 [0,1,0,0,1,0|1,0,0]=3 9955 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [0,1,0,0,1,0|1,0,0]=3 9956 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [0,1,0,0,1,0|1,0,0]=3 9957 B11R1.4 CCCCSCc1cncs1 62a_100000210211_100015185245 [0,1,0,0,1,0|2,0,0]=4 9958 B11R1.4 CCCCSCc1cncs1 62a_100015185245_100000210210 [0,1,0,0,1,0|2,0,0]=4 9959 B11R1.4 CCCCSCc1cscn1 62a_100000205941_100000210210 [0,1,0,0,1,0|1,0,0]=3 9960 B11R1.4 CCCCSCc1cscn1 62a_100000210211_100000205941 [0,1,0,0,1,0|1,0,0]=3 9961 B11R1.4 CCCCSCc1ncc[nH]1 62a_100000210211_100016991755 [0,1,0,0,1,0|1,0,0]=3 9962 B11R1.4 CCCCSCc1ncc[nH]1 62a_100016991755_100000210210 [0,1,0,0,1,0|1,0,0]=3 9963 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [0,1,0,0,1,0|1,0,0]=3 9964 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [0,1,0,0,1,0|1,0,0]=3 9965 B11R1.4 CCCCSCc1nccs1 62a_100000210211_100015184050 [0,1,0,0,1,0|1,0,0]=3 9966 B11R1.4 CCCCSCc1nccs1 62a_100015184050_100000210210 [0,1,0,0,1,0|1,0,0]=3 9967 B11R1.4 CCCCSCc1ncon1 62a_100000210211_100000233494 [0,1,0,0,1,0|2,0,0]=4 9968 B11R1.4 CCCCSCc1ncon1 62a_100000233494_100000210210 [0,1,0,0,1,0|2,0,0]=4 9969 B11R1.4 CCCCSCn1cncn1 62a_100000210211_200020645497 [0,1,0,0,1,0|2,0,0]=4 9970 B11R1.4 CCCCSCn1cncn1 62a_200020645497_100000210210 [0,1,0,0,1,0|2,0,0]=4 9971 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,1,0,0,1,0|1,0,0]=3 9972 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,1,0,0,1,0|1,0,0]=3 9973 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [0,1,0,0,1,0|1,0,0]=3 9974 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [0,1,0,0,1,0|1,0,0]=3 9975 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [0,1,0,0,1,0|1,0,0]=3 9976 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [0,1,0,0,1,0|1,0,0]=3 9977 B11R1.4 CCCNCCc1cn[nH]c1 2230a_100000732747_100000210303 [0,1,0,0,1,0|2,0,0]=4 9978 B11R1.4 CCCNCCc1cncs1 2230a_100016991637_100000210303 [0,1,0,0,1,0|2,0,0]=4 9979 B11R1.4 CCCNCCc1nccs1 2230a_100015186391_100000210303 [0,1,0,0,1,0|1,0,0]=3 9980 B11R1.4 CCCNCCn1cccc1 34a_100011368172_100000210303 [0,1,0,0,1,0|1,0,0]=3 9981 B11R1.4 CCCNCCn1cccn1 2230a_100011200920_100000210303 [0,1,0,0,1,0|1,0,0]=3 9982 B11R1.4 CCCNCCn1cncn1 2230a_200000738561_100000210303 [0,1,0,0,1,0|2,0,0]=4 9983 B11R1.4 CCCOCC[n+]1ccsc1 34a_200000100414_100000210303 [0,1,0,0,1,0|2,0,0]=4 9984 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [0,1,0,0,1,0|1,0,0]=3 9985 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [0,1,0,0,1,0|1,0,0]=3 9986 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [0,1,0,0,1,0|1,0,0]=3 9987 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [0,1,0,0,1,0|1,0,0]=3 9988 B11R1.4 CCCOCCc1cn[nH]c1 34a_100000766553_100000210303 [0,1,0,0,1,0|2,0,0]=4 9989 B11R1.4 CCCOCCc1cnoc1 34a_100000732699_100000210303 [0,1,0,0,1,0|2,0,0]=4 9990 B11R1.4 CCCOCCc1ncc[nH]1 34a_103549771195_100000210303 [0,1,0,0,1,0|1,0,0]=3 9991 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [0,1,0,0,1,0|1,0,0]=3 9992 B11R1.4 CCCOCCn1cccn1 34a_100000210258_100015204718 [0,1,0,0,1,0|1,0,0]=3 9993 B11R1.4 CCCOCCn1cccn1 34a_100000743371_100000210303 [0,1,0,0,1,0|1,0,0]=3 9994 B11R1.4 CCCOCCn1ccnc1 34a_100000719764_100000210303 [0,1,0,0,1,0|2,0,0]=4 9995 B11R1.4 CCCOCCn1ccnn1 34a_100000080814_100000210303 [0,1,0,0,1,0|2,0,0]=4 9996 B11R1.4 CCCOCCn1cncn1 34a_100000210258_200000749826 [0,1,0,0,1,0|2,0,0]=4 9997 B11R1.4 CCCOCCn1cncn1 34a_100000745309_100000210303 [0,1,0,0,1,0|2,0,0]=4 9998 B11R1.4 CCCSCCc1c[nH]cn1 62a_100000210303_100020628418 [0,1,0,0,1,0|1,0,0]=3 9999 B11R1.4 CCCSCCc1c[nH]cn1 62a_100020628418_100000210303 [0,1,0,0,1,0|1,0,0]=3 10000 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [0,1,0,0,1,0|1,0,0]=3 10001 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [0,1,0,0,1,0|1,0,0]=3 10002 B11R1.4 CCCSCCc1cn[nH]c1 62a_100000210303_100000743252 [0,1,0,0,1,0|2,0,0]=4 10003 B11R1.4 CCCSCCc1cn[nH]c1 62a_100000743252_100000210303 [0,1,0,0,1,0|2,0,0]=4 10004 B11R1.4 CCCSCCn1cccc1 62a_100000210303_200000035178 [0,1,0,0,1,0|1,0,0]=3 10005 B11R1.4 CCCSCCn1cccc1 62a_200009811947_100000210303 [0,1,0,0,1,0|1,0,0]=3 10006 B11R1.4 CCCSCCn1cccn1 62a_100000210303_100000685285 [0,1,0,0,1,0|1,0,0]=3 10007 B11R1.4 CCCSCCn1cccn1 62a_100015204718_100000210303 [0,1,0,0,1,0|1,0,0]=3 10008 B11R1.4 CCCSCCn1ccnc1 62a_100000210303_100000702546 [0,1,0,0,1,0|2,0,0]=4 10009 B11R1.4 CCCSCCn1ccnc1 62a_100000702546_100000210303 [0,1,0,0,1,0|2,0,0]=4 10010 B11R1.4 CCCSCCn1cncn1 62a_100000210303_100000731791 [0,1,0,0,1,0|2,0,0]=4 10011 B11R1.4 CCCSCCn1cncn1 62a_100000731791_100000210303 [0,1,0,0,1,0|2,0,0]=4 10012 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [0,1,0,0,1,0|1,0,0]=3 10013 B11R1.4 CCNCCCn1cccc1 2230a_100015525214_200009814367 [0,1,0,0,1,0|1,0,0]=3 10014 B11R1.4 CCNCCCn1cccn1 2230a_100015525214_100000739983 [0,1,0,0,1,0|1,0,0]=3 10015 B11R1.4 CCNCCCn1ccnc1 2230a_100015525214_100000756272 [0,1,0,0,1,0|2,0,0]=4 10016 B11R1.4 CCNCCCn1cncn1 2230a_100015525214_100102700105 [0,1,0,0,1,0|2,0,0]=4 10017 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [0,1,0,0,1,0|1,0,0]=3 10018 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [0,1,0,0,1,0|1,0,0]=3 10019 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [0,1,0,0,1,0|1,0,0]=3 10020 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [0,1,0,0,1,0|1,0,0]=3 10021 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [0,1,0,0,1,0|1,0,0]=3 10022 B11R1.4 CCOCCCc1cnoc1 34a_100011738005_100000210202 [0,1,0,0,1,0|2,0,0]=4 10023 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [0,1,0,0,1,0|1,0,0]=3 10024 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [0,1,0,0,1,0|1,0,0]=3 10025 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [0,1,0,0,1,0|1,0,0]=3 10026 B11R1.4 CCOCCCn1cccn1 34a_100000753614_100000210202 [0,1,0,0,1,0|1,0,0]=3 10027 B11R1.4 CCOCCCn1ccnc1 34a_100000240236_100000210202 [0,1,0,0,1,0|2,0,0]=4 10028 B11R1.4 CCOCCCn1ccnc1 34a_100121572206_100000756272 [0,1,0,0,1,0|2,0,0]=4 10029 B11R1.4 CCOCCCn1cncn1 34a_100011305697_100000210202 [0,1,0,0,1,0|2,0,0]=4 10030 B11R1.4 CCOCCCn1cncn1 34a_100121572206_100102700105 [0,1,0,0,1,0|2,0,0]=4 10031 B11R1.4 CCOCCOc1ccsc1 34a_100000106738_100000210147 [0,1,0,0,1,0|2,0,0]=4 10032 B11R1.4 CCOCCOc1ccsc1 7a_100000106738_100011215890 [0,1,0,0,1,0|2,0,0]=4 10033 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000210147_100000756875 [0,1,0,0,1,0|2,0,0]=4 10034 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000756875_100011215890 [0,1,0,0,1,0|2,0,0]=4 10035 B11R1.4 CCOCCSc1cc[nH]n1 62a_100000062575_100011215890 [0,1,0,0,1,0|2,0,0]=4 10036 B11R1.4 CCOCCSc1cc[nH]n1 62a_100000210147_100000062575 [0,1,0,0,1,0|2,0,0]=4 10037 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [0,1,0,0,1,0|2,0,0]=4 10038 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [0,1,0,0,1,0|2,0,0]=4 10039 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [0,1,0,0,1,0|2,0,0]=4 10040 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [0,1,0,0,1,0|2,0,0]=4 10041 B11R1.4 CCOCCSc1ccoc1 62a_100000210147_100011215275 [0,1,0,0,1,0|2,0,0]=4 10042 B11R1.4 CCOCCSc1ccoc1 62a_100011215275_100011215890 [0,1,0,0,1,0|2,0,0]=4 10043 B11R1.4 CCOCCSc1ccon1 62a_100000210147_100009818083 [0,1,0,0,1,0|2,0,0]=4 10044 B11R1.4 CCOCCSc1ccon1 62a_100009818083_100011215890 [0,1,0,0,1,0|2,0,0]=4 10045 B11R1.4 CCOCCSc1ccsc1 62a_100000210147_100000738268 [0,1,0,0,1,0|2,0,0]=4 10046 B11R1.4 CCOCCSc1ccsc1 62a_100000738268_100011215890 [0,1,0,0,1,0|2,0,0]=4 10047 B11R1.4 CCOCCSc1ccsn1 62a_100000210147_100009818082 [0,1,0,0,1,0|2,0,0]=4 10048 B11R1.4 CCOCCSc1ccsn1 62a_100009818082_100011215890 [0,1,0,0,1,0|2,0,0]=4 10049 B11R1.4 CCOCCSc1cscn1 62a_100000210147_100000751502 [0,1,0,0,1,0|2,0,0]=4 10050 B11R1.4 CCOCCSc1cscn1 62a_100000751502_100011215890 [0,1,0,0,1,0|2,0,0]=4 10051 B11R1.4 CCOCCSc1ncc[nH]1 62a_100000210147_100025796157 [0,1,0,0,1,0|2,0,0]=4 10052 B11R1.4 CCOCCSc1ncc[nH]1 62a_100025796157_100011215890 [0,1,0,0,1,0|2,0,0]=4 10053 B11R1.4 CCOCCSc1ncco1 62a_100000210147_100011787736 [0,1,0,0,1,0|2,0,0]=4 10054 B11R1.4 CCOCCSc1ncco1 62a_100011787736_100011215890 [0,1,0,0,1,0|2,0,0]=4 10055 B11R1.4 CCOCCSc1nccs1 62a_100000210147_100000211983 [0,1,0,0,1,0|2,0,0]=4 10056 B11R1.4 CCOCCSc1nccs1 62a_100000211983_100011215890 [0,1,0,0,1,0|2,0,0]=4 10057 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000707719_100000739092 [0,1,0,0,1,0|2,0,0]=4 10058 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000739092_100000707719 [0,1,0,0,1,0|2,0,0]=4 10059 B11R1.4 CCOCSCc1ccon1 62a_100000234950_100000739092 [0,1,0,0,1,0|2,0,0]=4 10060 B11R1.4 CCOCSCc1ccon1 62a_100000739092_100000234950 [0,1,0,0,1,0|2,0,0]=4 10061 B11R1.4 CCOCSCc1ccsc1 62a_100000739092_100011233845 [0,1,0,0,1,0|2,0,0]=4 10062 B11R1.4 CCOCSCc1ccsc1 62a_100011261437_100000739092 [0,1,0,0,1,0|2,0,0]=4 10063 B11R1.4 CCOCSCc1cscn1 62a_100000205941_100000739092 [0,1,0,0,1,0|2,0,0]=4 10064 B11R1.4 CCOCSCc1cscn1 62a_100000739092_100000205941 [0,1,0,0,1,0|2,0,0]=4 10065 B11R1.4 CCOCSCc1ncc[nH]1 62a_100000739092_100016991755 [0,1,0,0,1,0|2,0,0]=4 10066 B11R1.4 CCOCSCc1ncc[nH]1 62a_100016991755_100000739092 [0,1,0,0,1,0|2,0,0]=4 10067 B11R1.4 CCOCSCc1ncco1 62a_100000739092_103436540062 [0,1,0,0,1,0|2,0,0]=4 10068 B11R1.4 CCOCSCc1ncco1 62a_103436540062_100000739092 [0,1,0,0,1,0|2,0,0]=4 10069 B11R1.4 CCOCSCc1nccs1 62a_100000739092_100015184050 [0,1,0,0,1,0|2,0,0]=4 10070 B11R1.4 CCOCSCc1nccs1 62a_100015184050_100000739092 [0,1,0,0,1,0|2,0,0]=4 10071 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [0,1,0,0,1,0|1,0,0]=3 10072 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [0,1,0,0,1,0|1,0,0]=3 10073 B11R1.4 CCSCCCn1cccc1 62a_100000210202_200009814367 [0,1,0,0,1,0|1,0,0]=3 10074 B11R1.4 CCSCCCn1cccc1 62a_200009814367_100000210202 [0,1,0,0,1,0|1,0,0]=3 10075 B11R1.4 CCSCCCn1cccn1 62a_100000210202_100000739983 [0,1,0,0,1,0|1,0,0]=3 10076 B11R1.4 CCSCCCn1cccn1 62a_100000739983_100000210202 [0,1,0,0,1,0|1,0,0]=3 10077 B11R1.4 CCSCCCn1ccnc1 62a_100000210202_100000756272 [0,1,0,0,1,0|2,0,0]=4 10078 B11R1.4 CCSCCCn1ccnc1 62a_100000756272_100000210202 [0,1,0,0,1,0|2,0,0]=4 10079 B11R1.4 CCSCCCn1cncn1 62a_100000210202_100102700105 [0,1,0,0,1,0|2,0,0]=4 10080 B11R1.4 CCSCCCn1cncn1 62a_100102700105_100000210202 [0,1,0,0,1,0|2,0,0]=4 10081 B11R1.4 CCSCCOc1ccsc1 34a_100000106738_100000757381 [0,1,0,0,1,0|2,0,0]=4 10082 B11R1.4 CCSCCOc1ccsc1 7a_100000106738_100000757381 [0,1,0,0,1,0|2,0,0]=4 10083 B11R1.4 CCSCCSc1c[nH]cn1 62a_100000756875_100000757381 [0,1,0,0,1,0|2,0,0]=4 10084 B11R1.4 CCSCCSc1c[nH]cn1 62a_100000757381_100000756875 [0,1,0,0,1,0|2,0,0]=4 10085 B11R1.4 CCSCCSc1cc[nH]n1 62a_100000062575_100000757381 [0,1,0,0,1,0|2,0,0]=4 10086 B11R1.4 CCSCCSc1cc[nH]n1 62a_100000757381_100000062575 [0,1,0,0,1,0|2,0,0]=4 10087 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [0,1,0,0,1,0|2,0,0]=4 10088 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [0,1,0,0,1,0|2,0,0]=4 10089 B11R1.4 CCSCCSc1cccs1 62a_100000757381_100011215356 [0,1,0,0,1,0|2,0,0]=4 10090 B11R1.4 CCSCCSc1cccs1 62a_100011215356_100000757381 [0,1,0,0,1,0|2,0,0]=4 10091 B11R1.4 CCSCCSc1ccoc1 62a_100000757381_100011215275 [0,1,0,0,1,0|2,0,0]=4 10092 B11R1.4 CCSCCSc1ccoc1 62a_100011215275_100000757381 [0,1,0,0,1,0|2,0,0]=4 10093 B11R1.4 CCSCCSc1ccon1 62a_100000757381_100009818083 [0,1,0,0,1,0|2,0,0]=4 10094 B11R1.4 CCSCCSc1ccon1 62a_100009818083_100000757381 [0,1,0,0,1,0|2,0,0]=4 10095 B11R1.4 CCSCCSc1ccsc1 62a_100000738268_100000757381 [0,1,0,0,1,0|2,0,0]=4 10096 B11R1.4 CCSCCSc1ccsc1 62a_100000757381_100000738268 [0,1,0,0,1,0|2,0,0]=4 10097 B11R1.4 CCSCCSc1ccsn1 62a_100000757381_100009818082 [0,1,0,0,1,0|2,0,0]=4 10098 B11R1.4 CCSCCSc1ccsn1 62a_100009818082_100000757381 [0,1,0,0,1,0|2,0,0]=4 10099 B11R1.4 CCSCCSc1cscn1 62a_100000751502_100000757381 [0,1,0,0,1,0|2,0,0]=4 10100 B11R1.4 CCSCCSc1cscn1 62a_100000757381_100000751502 [0,1,0,0,1,0|2,0,0]=4 10101 B11R1.4 CCSCCSc1ncc[nH]1 62a_100000757381_100025796157 [0,1,0,0,1,0|2,0,0]=4 10102 B11R1.4 CCSCCSc1ncc[nH]1 62a_100025796157_100000757381 [0,1,0,0,1,0|2,0,0]=4 10103 B11R1.4 CCSCCSc1ncco1 62a_100000757381_100011787736 [0,1,0,0,1,0|2,0,0]=4 10104 B11R1.4 CCSCCSc1ncco1 62a_100011787736_100000757381 [0,1,0,0,1,0|2,0,0]=4 10105 B11R1.4 CCSCCSc1nccs1 62a_100000211983_100000757381 [0,1,0,0,1,0|2,0,0]=4 10106 B11R1.4 CCSCCSc1nccs1 62a_100000757381_100000211983 [0,1,0,0,1,0|2,0,0]=4 10107 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [0,1,0,0,1,0|2,0,0]=4 10108 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [0,1,0,0,1,0|2,0,0]=4 10109 B11R1.4 COCCCOc1ccsc1 34a_100000106738_100000740836 [0,1,0,0,1,0|2,0,0]=4 10110 B11R1.4 COCCCOc1ccsc1 7a_100000106738_100000740836 [0,1,0,0,1,0|2,0,0]=4 10111 B11R1.4 COCCCSc1c[nH]cn1 62a_100000709357_100000756875 [0,1,0,0,1,0|2,0,0]=4 10112 B11R1.4 COCCCSc1c[nH]cn1 62a_100000756875_100000709357 [0,1,0,0,1,0|2,0,0]=4 10113 B11R1.4 COCCCSc1cc[nH]n1 62a_100000062575_100000709357 [0,1,0,0,1,0|2,0,0]=4 10114 B11R1.4 COCCCSc1cc[nH]n1 62a_100000709357_100000062575 [0,1,0,0,1,0|2,0,0]=4 10115 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [0,1,0,0,1,0|2,0,0]=4 10116 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [0,1,0,0,1,0|2,0,0]=4 10117 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [0,1,0,0,1,0|2,0,0]=4 10118 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [0,1,0,0,1,0|2,0,0]=4 10119 B11R1.4 COCCCSc1ccoc1 62a_100000709357_100011215275 [0,1,0,0,1,0|2,0,0]=4 10120 B11R1.4 COCCCSc1ccoc1 62a_100011215275_100000709357 [0,1,0,0,1,0|2,0,0]=4 10121 B11R1.4 COCCCSc1ccon1 62a_100000709357_100009818083 [0,1,0,0,1,0|2,0,0]=4 10122 B11R1.4 COCCCSc1ccon1 62a_100009818083_100000709357 [0,1,0,0,1,0|2,0,0]=4 10123 B11R1.4 COCCCSc1ccsc1 62a_100000709357_100000738268 [0,1,0,0,1,0|2,0,0]=4 10124 B11R1.4 COCCCSc1ccsc1 62a_100000738268_100000709357 [0,1,0,0,1,0|2,0,0]=4 10125 B11R1.4 COCCCSc1ccsn1 62a_100000709357_100009818082 [0,1,0,0,1,0|2,0,0]=4 10126 B11R1.4 COCCCSc1ccsn1 62a_100009818082_100000709357 [0,1,0,0,1,0|2,0,0]=4 10127 B11R1.4 COCCCSc1cscn1 62a_100000709357_100000751502 [0,1,0,0,1,0|2,0,0]=4 10128 B11R1.4 COCCCSc1cscn1 62a_100000751502_100000709357 [0,1,0,0,1,0|2,0,0]=4 10129 B11R1.4 COCCCSc1ncc[nH]1 62a_100000709357_100025796157 [0,1,0,0,1,0|2,0,0]=4 10130 B11R1.4 COCCCSc1ncc[nH]1 62a_100025796157_100000709357 [0,1,0,0,1,0|2,0,0]=4 10131 B11R1.4 COCCCSc1ncco1 62a_100000709357_100011787736 [0,1,0,0,1,0|2,0,0]=4 10132 B11R1.4 COCCCSc1ncco1 62a_100011787736_100000709357 [0,1,0,0,1,0|2,0,0]=4 10133 B11R1.4 COCCCSc1nccs1 62a_100000211983_100000709357 [0,1,0,0,1,0|2,0,0]=4 10134 B11R1.4 COCCCSc1nccs1 62a_100000709357_100000211983 [0,1,0,0,1,0|2,0,0]=4 10135 B11R1.4 COCCNCc1c[nH]cn1 2230a_100000209980_100000707719 [0,1,0,0,1,0|2,0,0]=4 10136 B11R1.4 COCCNCc1cc[nH]n1 207a_100000209980_100000738523 [0,1,0,0,1,0|2,0,0]=4 10137 B11R1.4 COCCNCc1cc[nH]n1 270004a_100000209980_100000738523 [0,1,0,0,1,0|2,0,0]=4 10138 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [0,1,0,0,1,0|2,0,0]=4 10139 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [0,1,0,0,1,0|2,0,0]=4 10140 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [0,1,0,0,1,0|2,0,0]=4 10141 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [0,1,0,0,1,0|2,0,0]=4 10142 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [0,1,0,0,1,0|2,0,0]=4 10143 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [0,1,0,0,1,0|2,0,0]=4 10144 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [0,1,0,0,1,0|2,0,0]=4 10145 B11R1.4 COCCNCc1ccoc1 207a_100000209980_100011215517 [0,1,0,0,1,0|2,0,0]=4 10146 B11R1.4 COCCNCc1ccoc1 2230a_100015206860_100011201679 [0,1,0,0,1,0|2,0,0]=4 10147 B11R1.4 COCCNCc1ccoc1 270004a_100000209980_100011215517 [0,1,0,0,1,0|2,0,0]=4 10148 B11R1.4 COCCNCc1ccoc1 34a_100015206860_100011201679 [0,1,0,0,1,0|2,0,0]=4 10149 B11R1.4 COCCNCc1ccon1 2230a_100000209980_100000234950 [0,1,0,0,1,0|2,0,0]=4 10150 B11R1.4 COCCNCc1ccsc1 207a_100000209980_100000188534 [0,1,0,0,1,0|2,0,0]=4 10151 B11R1.4 COCCNCc1ccsc1 2230a_100000186416_100011201679 [0,1,0,0,1,0|2,0,0]=4 10152 B11R1.4 COCCNCc1ccsc1 2230a_100000209980_100011261437 [0,1,0,0,1,0|2,0,0]=4 10153 B11R1.4 COCCNCc1ccsc1 270004a_100000209980_100000188534 [0,1,0,0,1,0|2,0,0]=4 10154 B11R1.4 COCCNCc1ccsc1 34a_100000186416_100011201679 [0,1,0,0,1,0|2,0,0]=4 10155 B11R1.4 COCCNCc1cocn1 270004a_100000209980_100000050382 [0,1,0,0,1,0|2,0,0]=4 10156 B11R1.4 COCCNCc1cscn1 207a_100000209980_100000743575 [0,1,0,0,1,0|2,0,0]=4 10157 B11R1.4 COCCNCc1cscn1 2230a_100000209980_100000205941 [0,1,0,0,1,0|2,0,0]=4 10158 B11R1.4 COCCNCc1cscn1 2230a_100015185402_100011201679 [0,1,0,0,1,0|2,0,0]=4 10159 B11R1.4 COCCNCc1cscn1 270004a_100000209980_100000743575 [0,1,0,0,1,0|2,0,0]=4 10160 B11R1.4 COCCNCc1ncc[nH]1 207a_100000209980_100000743867 [0,1,0,0,1,0|2,0,0]=4 10161 B11R1.4 COCCNCc1ncc[nH]1 2230a_100000209980_100016991755 [0,1,0,0,1,0|2,0,0]=4 10162 B11R1.4 COCCNCc1ncco1 2230a_100000209980_103436540062 [0,1,0,0,1,0|2,0,0]=4 10163 B11R1.4 COCCNCc1ncco1 2230a_100016994969_100011201679 [0,1,0,0,1,0|2,0,0]=4 10164 B11R1.4 COCCNCc1ncco1 270004a_100000209980_100000064290 [0,1,0,0,1,0|2,0,0]=4 10165 B11R1.4 COCCNCc1nccs1 207a_100000209980_100000750902 [0,1,0,0,1,0|2,0,0]=4 10166 B11R1.4 COCCNCc1nccs1 2230a_100000209980_100015184050 [0,1,0,0,1,0|2,0,0]=4 10167 B11R1.4 COCCNCc1nccs1 2230a_100000740555_100011201679 [0,1,0,0,1,0|2,0,0]=4 10168 B11R1.4 COCCNCc1nccs1 270004a_100000209980_100000750902 [0,1,0,0,1,0|2,0,0]=4 10169 B11R1.4 COCCOCc1c[nH]cn1 34a_100000210237_100000707719 [0,1,0,0,1,0|2,0,0]=4 10170 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [0,1,0,0,1,0|2,0,0]=4 10171 B11R1.4 COCCOCc1cccs1 34a_100000211240_100011201679 [0,1,0,0,1,0|2,0,0]=4 10172 B11R1.4 COCCOCc1ccoc1 34a_100011215357_100011201679 [0,1,0,0,1,0|2,0,0]=4 10173 B11R1.4 COCCOCc1ccon1 34a_100000210237_100000234950 [0,1,0,0,1,0|2,0,0]=4 10174 B11R1.4 COCCOCc1ccsc1 34a_100000210237_100011261437 [0,1,0,0,1,0|2,0,0]=4 10175 B11R1.4 COCCOCc1ccsc1 34a_100011215551_100011201679 [0,1,0,0,1,0|2,0,0]=4 10176 B11R1.4 COCCOCc1cscn1 34a_100000210237_100000205941 [0,1,0,0,1,0|2,0,0]=4 10177 B11R1.4 COCCOCc1ncc[nH]1 34a_100000210237_100016991755 [0,1,0,0,1,0|2,0,0]=4 10178 B11R1.4 COCCOCc1ncco1 34a_100000062594_100011201679 [0,1,0,0,1,0|2,0,0]=4 10179 B11R1.4 COCCOCc1ncco1 34a_100000210237_103436540062 [0,1,0,0,1,0|2,0,0]=4 10180 B11R1.4 COCCOCc1nccs1 34a_100000210237_100015184050 [0,1,0,0,1,0|2,0,0]=4 10181 B11R1.4 COCCOCn1cccn1 34a_100000731028_100011201679 [0,1,0,0,1,0|2,0,0]=4 10182 B11R1.4 COCCSCc1c[nH]cn1 62a_100000233755_100000707719 [0,1,0,0,1,0|2,0,0]=4 10183 B11R1.4 COCCSCc1c[nH]cn1 62a_100000707719_100000233755 [0,1,0,0,1,0|2,0,0]=4 10184 B11R1.4 COCCSCc1ccon1 62a_100000233755_100000234950 [0,1,0,0,1,0|2,0,0]=4 10185 B11R1.4 COCCSCc1ccon1 62a_100000234950_100000233755 [0,1,0,0,1,0|2,0,0]=4 10186 B11R1.4 COCCSCc1ccsc1 62a_100000233755_100011233845 [0,1,0,0,1,0|2,0,0]=4 10187 B11R1.4 COCCSCc1ccsc1 62a_100011261437_100000233755 [0,1,0,0,1,0|2,0,0]=4 10188 B11R1.4 COCCSCc1cscn1 62a_100000205941_100000233755 [0,1,0,0,1,0|2,0,0]=4 10189 B11R1.4 COCCSCc1cscn1 62a_100000233755_100000205941 [0,1,0,0,1,0|2,0,0]=4 10190 B11R1.4 COCCSCc1ncc[nH]1 62a_100000233755_100016991755 [0,1,0,0,1,0|2,0,0]=4 10191 B11R1.4 COCCSCc1ncc[nH]1 62a_100016991755_100000233755 [0,1,0,0,1,0|2,0,0]=4 10192 B11R1.4 COCCSCc1ncco1 62a_100000233755_103436540062 [0,1,0,0,1,0|2,0,0]=4 10193 B11R1.4 COCCSCc1ncco1 62a_103436540062_100000233755 [0,1,0,0,1,0|2,0,0]=4 10194 B11R1.4 COCCSCc1nccs1 62a_100000233755_100015184050 [0,1,0,0,1,0|2,0,0]=4 10195 B11R1.4 COCCSCc1nccs1 62a_100015184050_100000233755 [0,1,0,0,1,0|2,0,0]=4 10196 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [0,1,0,0,1,0|2,0,0]=4 10197 B11R1.4 COCNCCc1cccs1 2230a_100000203755_100000766300 [0,1,0,0,1,0|2,0,0]=4 10198 B11R1.4 COCNCCc1ccsc1 2230a_100000692642_100000766300 [0,1,0,0,1,0|2,0,0]=4 10199 B11R1.4 COCNCCc1nccs1 2230a_100015186391_100000766300 [0,1,0,0,1,0|2,0,0]=4 10200 B11R1.4 COCNCCn1cccn1 2230a_100011200920_100000766300 [0,1,0,0,1,0|2,0,0]=4 10201 B11R1.4 COCSCCc1c[nH]cn1 62a_100000766300_100020628418 [0,1,0,0,1,0|2,0,0]=4 10202 B11R1.4 COCSCCc1c[nH]cn1 62a_100020628418_100000766300 [0,1,0,0,1,0|2,0,0]=4 10203 B11R1.4 COCSCCc1cccs1 62a_100000748579_100000766300 [0,1,0,0,1,0|2,0,0]=4 10204 B11R1.4 COCSCCc1cccs1 62a_100000766300_100000748579 [0,1,0,0,1,0|2,0,0]=4 10205 B11R1.4 COCSCCn1cccc1 62a_100000766300_200000035178 [0,1,0,0,1,0|2,0,0]=4 10206 B11R1.4 COCSCCn1cccc1 62a_200009811947_100000766300 [0,1,0,0,1,0|2,0,0]=4 10207 B11R1.4 COCSCCn1cccn1 62a_100000766300_100000685285 [0,1,0,0,1,0|2,0,0]=4 10208 B11R1.4 COCSCCn1cccn1 62a_100015204718_100000766300 [0,1,0,0,1,0|2,0,0]=4 10209 B11R1.4 CSCCNCc1c[nH]cn1 2230a_100020590264_100000707719 [0,1,0,0,1,0|2,0,0]=4 10210 B11R1.4 CSCCNCc1cc[nH]n1 207a_100020590264_100000738523 [0,1,0,0,1,0|2,0,0]=4 10211 B11R1.4 CSCCNCc1cc[nH]n1 270004a_100020590264_100000738523 [0,1,0,0,1,0|2,0,0]=4 10212 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [0,1,0,0,1,0|2,0,0]=4 10213 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [0,1,0,0,1,0|2,0,0]=4 10214 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [0,1,0,0,1,0|2,0,0]=4 10215 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [0,1,0,0,1,0|2,0,0]=4 10216 B11R1.4 CSCCNCc1cccs1 207a_100020590264_100000209959 [0,1,0,0,1,0|2,0,0]=4 10217 B11R1.4 CSCCNCc1cccs1 2230a_100000211653_100000751147 [0,1,0,0,1,0|2,0,0]=4 10218 B11R1.4 CSCCNCc1cccs1 270004a_100020590264_100000209959 [0,1,0,0,1,0|2,0,0]=4 10219 B11R1.4 CSCCNCc1ccoc1 207a_100020590264_100011215517 [0,1,0,0,1,0|2,0,0]=4 10220 B11R1.4 CSCCNCc1ccoc1 2230a_100015206860_100000751147 [0,1,0,0,1,0|2,0,0]=4 10221 B11R1.4 CSCCNCc1ccoc1 270004a_100020590264_100011215517 [0,1,0,0,1,0|2,0,0]=4 10222 B11R1.4 CSCCNCc1ccoc1 34a_100015206860_100000212216 [0,1,0,0,1,0|2,0,0]=4 10223 B11R1.4 CSCCNCc1ccon1 2230a_100020590264_100000234950 [0,1,0,0,1,0|2,0,0]=4 10224 B11R1.4 CSCCNCc1ccsc1 207a_100020590264_100000188534 [0,1,0,0,1,0|2,0,0]=4 10225 B11R1.4 CSCCNCc1ccsc1 2230a_100000186416_100000751147 [0,1,0,0,1,0|2,0,0]=4 10226 B11R1.4 CSCCNCc1ccsc1 2230a_100020590264_100011261437 [0,1,0,0,1,0|2,0,0]=4 10227 B11R1.4 CSCCNCc1ccsc1 270004a_100020590264_100000188534 [0,1,0,0,1,0|2,0,0]=4 10228 B11R1.4 CSCCNCc1ccsc1 34a_100000186416_100000212216 [0,1,0,0,1,0|2,0,0]=4 10229 B11R1.4 CSCCNCc1cocn1 270004a_100020590264_100000050382 [0,1,0,0,1,0|2,0,0]=4 10230 B11R1.4 CSCCNCc1cscn1 207a_100020590264_100000743575 [0,1,0,0,1,0|2,0,0]=4 10231 B11R1.4 CSCCNCc1cscn1 2230a_100015185402_100000751147 [0,1,0,0,1,0|2,0,0]=4 10232 B11R1.4 CSCCNCc1cscn1 2230a_100020590264_100000205941 [0,1,0,0,1,0|2,0,0]=4 10233 B11R1.4 CSCCNCc1cscn1 270004a_100020590264_100000743575 [0,1,0,0,1,0|2,0,0]=4 10234 B11R1.4 CSCCNCc1ncc[nH]1 207a_100020590264_100000743867 [0,1,0,0,1,0|2,0,0]=4 10235 B11R1.4 CSCCNCc1ncc[nH]1 2230a_100020590264_100016991755 [0,1,0,0,1,0|2,0,0]=4 10236 B11R1.4 CSCCNCc1ncco1 2230a_100016994969_100000751147 [0,1,0,0,1,0|2,0,0]=4 10237 B11R1.4 CSCCNCc1ncco1 2230a_100020590264_103436540062 [0,1,0,0,1,0|2,0,0]=4 10238 B11R1.4 CSCCNCc1ncco1 270004a_100020590264_100000064290 [0,1,0,0,1,0|2,0,0]=4 10239 B11R1.4 CSCCNCc1nccs1 207a_100020590264_100000750902 [0,1,0,0,1,0|2,0,0]=4 10240 B11R1.4 CSCCNCc1nccs1 2230a_100000740555_100000751147 [0,1,0,0,1,0|2,0,0]=4 10241 B11R1.4 CSCCNCc1nccs1 2230a_100020590264_100015184050 [0,1,0,0,1,0|2,0,0]=4 10242 B11R1.4 CSCCNCc1nccs1 270004a_100020590264_100000750902 [0,1,0,0,1,0|2,0,0]=4 10243 B11R1.4 CSCCOCc1c[nH]cn1 34a_100000230434_100000707719 [0,1,0,0,1,0|2,0,0]=4 10244 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [0,1,0,0,1,0|2,0,0]=4 10245 B11R1.4 CSCCOCc1cccs1 34a_100000211240_100000212216 [0,1,0,0,1,0|2,0,0]=4 10246 B11R1.4 CSCCOCc1ccoc1 34a_100011215357_100000212216 [0,1,0,0,1,0|2,0,0]=4 10247 B11R1.4 CSCCOCc1ccon1 34a_100000230434_100000234950 [0,1,0,0,1,0|2,0,0]=4 10248 B11R1.4 CSCCOCc1ccon1 7a_100000230434_100000234950 [0,1,0,0,1,0|2,0,0]=4 10249 B11R1.4 CSCCOCc1ccsc1 34a_100000230434_100011261437 [0,1,0,0,1,0|2,0,0]=4 10250 B11R1.4 CSCCOCc1ccsc1 34a_100011215551_100000212216 [0,1,0,0,1,0|2,0,0]=4 10251 B11R1.4 CSCCOCc1ccsc1 7a_100000230434_100011261437 [0,1,0,0,1,0|2,0,0]=4 10252 B11R1.4 CSCCOCc1cscn1 34a_100000230434_100000205941 [0,1,0,0,1,0|2,0,0]=4 10253 B11R1.4 CSCCOCc1cscn1 7a_100000230434_100000205941 [0,1,0,0,1,0|2,0,0]=4 10254 B11R1.4 CSCCOCc1ncc[nH]1 34a_100000230434_100016991755 [0,1,0,0,1,0|2,0,0]=4 10255 B11R1.4 CSCCOCc1ncc[nH]1 7a_100000230434_100000753453 [0,1,0,0,1,0|2,0,0]=4 10256 B11R1.4 CSCCOCc1ncco1 34a_100000062594_100000212216 [0,1,0,0,1,0|2,0,0]=4 10257 B11R1.4 CSCCOCc1ncco1 34a_100000230434_103436540062 [0,1,0,0,1,0|2,0,0]=4 10258 B11R1.4 CSCCOCc1ncco1 7a_100000230434_103436540062 [0,1,0,0,1,0|2,0,0]=4 10259 B11R1.4 CSCCOCc1nccs1 34a_100000230434_100015184050 [0,1,0,0,1,0|2,0,0]=4 10260 B11R1.4 CSCCOCc1nccs1 7a_100000230434_100015184050 [0,1,0,0,1,0|2,0,0]=4 10261 B11R1.4 CSCCOCn1cccn1 34a_100000731028_100000212216 [0,1,0,0,1,0|2,0,0]=4 10262 B11R1.4 CSCCSCc1c[nH]cn1 62a_100000212216_100000707719 [0,1,0,0,1,0|2,0,0]=4 10263 B11R1.4 CSCCSCc1c[nH]cn1 62a_100000707719_100000751147 [0,1,0,0,1,0|2,0,0]=4 10264 B11R1.4 CSCCSCc1ccon1 62a_100000212216_100000234950 [0,1,0,0,1,0|2,0,0]=4 10265 B11R1.4 CSCCSCc1ccon1 62a_100000234950_100000751147 [0,1,0,0,1,0|2,0,0]=4 10266 B11R1.4 CSCCSCc1ccsc1 62a_100000212216_100011233845 [0,1,0,0,1,0|2,0,0]=4 10267 B11R1.4 CSCCSCc1ccsc1 62a_100011261437_100000751147 [0,1,0,0,1,0|2,0,0]=4 10268 B11R1.4 CSCCSCc1cscn1 62a_100000205941_100000751147 [0,1,0,0,1,0|2,0,0]=4 10269 B11R1.4 CSCCSCc1cscn1 62a_100000212216_100000205941 [0,1,0,0,1,0|2,0,0]=4 10270 B11R1.4 CSCCSCc1ncc[nH]1 62a_100000212216_100016991755 [0,1,0,0,1,0|2,0,0]=4 10271 B11R1.4 CSCCSCc1ncc[nH]1 62a_100016991755_100000751147 [0,1,0,0,1,0|2,0,0]=4 10272 B11R1.4 CSCCSCc1ncco1 62a_100000212216_103436540062 [0,1,0,0,1,0|2,0,0]=4 10273 B11R1.4 CSCCSCc1ncco1 62a_103436540062_100000751147 [0,1,0,0,1,0|2,0,0]=4 10274 B11R1.4 CSCCSCc1nccs1 62a_100000212216_100015184050 [0,1,0,0,1,0|2,0,0]=4 10275 B11R1.4 CSCCSCc1nccs1 62a_100015184050_100000751147 [0,1,0,0,1,0|2,0,0]=4 10276 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [0,1,0,0,1,0|2,0,0]=4 10277 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [0,1,0,0,1,0|2,0,0]=4 10278 B11R1.4 CSCNCCc1cccs1 2230a_100000203755_100011218213 [0,1,0,0,1,0|2,0,0]=4 10279 B11R1.4 CSCNCCc1cccs1 34a_100000203755_100011218213 [0,1,0,0,1,0|2,0,0]=4 10280 B11R1.4 CSCNCCc1ccsc1 2230a_100000692642_100011218213 [0,1,0,0,1,0|2,0,0]=4 10281 B11R1.4 CSCNCCc1ccsc1 34a_100000692642_100011218213 [0,1,0,0,1,0|2,0,0]=4 10282 B11R1.4 CSCNCCc1nccs1 2230a_100015186391_100011218213 [0,1,0,0,1,0|2,0,0]=4 10283 B11R1.4 CSCNCCn1cccc1 34a_100011368172_100011218213 [0,1,0,0,1,0|2,0,0]=4 10284 B11R1.4 CSCNCCn1cccn1 2230a_100011200920_100011218213 [0,1,0,0,1,0|2,0,0]=4 10285 B11R1.4 CSCOCCc1cccs1 34a_100011216825_100011218213 [0,1,0,0,1,0|2,0,0]=4 10286 B11R1.4 CSCOCCc1ccsc1 34a_100000748821_100011218213 [0,1,0,0,1,0|2,0,0]=4 10287 B11R1.4 CSCOCCc1ncc[nH]1 34a_103549771195_100011218213 [0,1,0,0,1,0|2,0,0]=4 10288 B11R1.4 CSCOCCn1cccc1 34a_100000179382_100011218213 [0,1,0,0,1,0|2,0,0]=4 10289 B11R1.4 CSCOCCn1cccn1 34a_100000743371_100011218213 [0,1,0,0,1,0|2,0,0]=4 10290 B11R1.4 CSCSCCc1c[nH]cn1 62a_100011218213_100020628418 [0,1,0,0,1,0|2,0,0]=4 10291 B11R1.4 CSCSCCc1c[nH]cn1 62a_100020628418_100011218213 [0,1,0,0,1,0|2,0,0]=4 10292 B11R1.4 CSCSCCc1cccs1 62a_100000748579_100011218213 [0,1,0,0,1,0|2,0,0]=4 10293 B11R1.4 CSCSCCc1cccs1 62a_100011218213_100000748579 [0,1,0,0,1,0|2,0,0]=4 10294 B11R1.4 CSCSCCn1cccc1 62a_100011218213_200000035178 [0,1,0,0,1,0|2,0,0]=4 10295 B11R1.4 CSCSCCn1cccc1 62a_200009811947_100011218213 [0,1,0,0,1,0|2,0,0]=4 10296 B11R1.4 CSCSCCn1cccn1 62a_100011218213_100000685285 [0,1,0,0,1,0|2,0,0]=4 10297 B11R1.4 CSCSCCn1cccn1 62a_100015204718_100011218213 [0,1,0,0,1,0|2,0,0]=4 10298 B11R1.4 ClCCCOCc1c[nH]cn1 34a_100000230001_100000707719 [0,1,0,0,1,0|2,0,0]=4 10299 B11R1.4 ClCCCOCc1ccon1 34a_100000230001_100000234950 [0,1,0,0,1,0|2,0,0]=4 10300 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [0,1,0,0,1,0|2,0,0]=4 10301 B11R1.4 ClCCCOCc1cscn1 34a_100000230001_100000205941 [0,1,0,0,1,0|2,0,0]=4 10302 B11R1.4 ClCCCOCc1ncc[nH]1 34a_100000230001_100016991755 [0,1,0,0,1,0|2,0,0]=4 10303 B11R1.4 ClCCCOCc1ncco1 34a_100000230001_103436540062 [0,1,0,0,1,0|2,0,0]=4 10304 B11R1.4 ClCCCOCc1nccs1 34a_100000230001_100015184050 [0,1,0,0,1,0|2,0,0]=4 10305 B11R1.4 FCCCCOc1ccsc1 34a_100000106738_100000729493 [0,1,0,0,1,0|2,0,0]=4 10306 B11R1.4 FCCCCOc1ccsc1 7a_100000106738_100000729493 [0,1,0,0,1,0|2,0,0]=4 10307 B11R1.4 FCCCCSc1c[nH]cn1 62a_100000729493_100000756875 [0,1,0,0,1,0|2,0,0]=4 10308 B11R1.4 FCCCCSc1c[nH]cn1 62a_100000756875_100000729493 [0,1,0,0,1,0|2,0,0]=4 10309 B11R1.4 FCCCCSc1cc[nH]n1 62a_100000062575_100000729493 [0,1,0,0,1,0|2,0,0]=4 10310 B11R1.4 FCCCCSc1cc[nH]n1 62a_100000729493_100000062575 [0,1,0,0,1,0|2,0,0]=4 10311 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [0,1,0,0,1,0|2,0,0]=4 10312 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [0,1,0,0,1,0|2,0,0]=4 10313 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [0,1,0,0,1,0|2,0,0]=4 10314 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [0,1,0,0,1,0|2,0,0]=4 10315 B11R1.4 FCCCCSc1ccoc1 62a_100000729493_100011215275 [0,1,0,0,1,0|2,0,0]=4 10316 B11R1.4 FCCCCSc1ccoc1 62a_100011215275_100000729493 [0,1,0,0,1,0|2,0,0]=4 10317 B11R1.4 FCCCCSc1ccon1 62a_100000729493_100009818083 [0,1,0,0,1,0|2,0,0]=4 10318 B11R1.4 FCCCCSc1ccon1 62a_100009818083_100000729493 [0,1,0,0,1,0|2,0,0]=4 10319 B11R1.4 FCCCCSc1ccsc1 62a_100000729493_100000738268 [0,1,0,0,1,0|2,0,0]=4 10320 B11R1.4 FCCCCSc1ccsc1 62a_100000738268_100000729493 [0,1,0,0,1,0|2,0,0]=4 10321 B11R1.4 FCCCCSc1ccsn1 62a_100000729493_100009818082 [0,1,0,0,1,0|2,0,0]=4 10322 B11R1.4 FCCCCSc1ccsn1 62a_100009818082_100000729493 [0,1,0,0,1,0|2,0,0]=4 10323 B11R1.4 FCCCCSc1cscn1 62a_100000729493_100000751502 [0,1,0,0,1,0|2,0,0]=4 10324 B11R1.4 FCCCCSc1cscn1 62a_100000751502_100000729493 [0,1,0,0,1,0|2,0,0]=4 10325 B11R1.4 FCCCCSc1ncc[nH]1 62a_100000729493_100025796157 [0,1,0,0,1,0|2,0,0]=4 10326 B11R1.4 FCCCCSc1ncc[nH]1 62a_100025796157_100000729493 [0,1,0,0,1,0|2,0,0]=4 10327 B11R1.4 FCCCCSc1ncco1 62a_100000729493_100011787736 [0,1,0,0,1,0|2,0,0]=4 10328 B11R1.4 FCCCCSc1ncco1 62a_100011787736_100000729493 [0,1,0,0,1,0|2,0,0]=4 10329 B11R1.4 FCCCCSc1nccs1 62a_100000211983_100000729493 [0,1,0,0,1,0|2,0,0]=4 10330 B11R1.4 FCCCCSc1nccs1 62a_100000729493_100000211983 [0,1,0,0,1,0|2,0,0]=4 10331 B11R1.4 FCCCNCc1c[nH]cn1 2230a_100015189416_100000707719 [0,1,0,0,1,0|2,0,0]=4 10332 B11R1.4 FCCCNCc1c[nH]cn1 34a_100015189416_100000707719 [0,1,0,0,1,0|2,0,0]=4 10333 B11R1.4 FCCCNCc1cc[nH]n1 207a_100015189416_100000738523 [0,1,0,0,1,0|2,0,0]=4 10334 B11R1.4 FCCCNCc1cc[nH]n1 270004a_100015189416_100000738523 [0,1,0,0,1,0|2,0,0]=4 10335 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [0,1,0,0,1,0|2,0,0]=4 10336 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [0,1,0,0,1,0|2,0,0]=4 10337 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [0,1,0,0,1,0|2,0,0]=4 10338 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [0,1,0,0,1,0|2,0,0]=4 10339 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [0,1,0,0,1,0|2,0,0]=4 10340 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [0,1,0,0,1,0|2,0,0]=4 10341 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [0,1,0,0,1,0|2,0,0]=4 10342 B11R1.4 FCCCNCc1ccoc1 207a_100015189416_100011215517 [0,1,0,0,1,0|2,0,0]=4 10343 B11R1.4 FCCCNCc1ccoc1 2230a_100015206860_100011934791 [0,1,0,0,1,0|2,0,0]=4 10344 B11R1.4 FCCCNCc1ccoc1 270004a_100015189416_100011215517 [0,1,0,0,1,0|2,0,0]=4 10345 B11R1.4 FCCCNCc1ccoc1 34a_100015206860_100011934791 [0,1,0,0,1,0|2,0,0]=4 10346 B11R1.4 FCCCNCc1ccon1 2230a_100015189416_100000234950 [0,1,0,0,1,0|2,0,0]=4 10347 B11R1.4 FCCCNCc1ccon1 34a_100015189416_100000234950 [0,1,0,0,1,0|2,0,0]=4 10348 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [0,1,0,0,1,0|2,0,0]=4 10349 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [0,1,0,0,1,0|2,0,0]=4 10350 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [0,1,0,0,1,0|2,0,0]=4 10351 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [0,1,0,0,1,0|2,0,0]=4 10352 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [0,1,0,0,1,0|2,0,0]=4 10353 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [0,1,0,0,1,0|2,0,0]=4 10354 B11R1.4 FCCCNCc1cocn1 270004a_100015189416_100000050382 [0,1,0,0,1,0|2,0,0]=4 10355 B11R1.4 FCCCNCc1cscn1 207a_100015189416_100000743575 [0,1,0,0,1,0|2,0,0]=4 10356 B11R1.4 FCCCNCc1cscn1 2230a_100015185402_100011934791 [0,1,0,0,1,0|2,0,0]=4 10357 B11R1.4 FCCCNCc1cscn1 2230a_100015189416_100000205941 [0,1,0,0,1,0|2,0,0]=4 10358 B11R1.4 FCCCNCc1cscn1 270004a_100015189416_100000743575 [0,1,0,0,1,0|2,0,0]=4 10359 B11R1.4 FCCCNCc1cscn1 34a_100015189416_100000205941 [0,1,0,0,1,0|2,0,0]=4 10360 B11R1.4 FCCCNCc1ncc[nH]1 207a_100015189416_100000743867 [0,1,0,0,1,0|2,0,0]=4 10361 B11R1.4 FCCCNCc1ncc[nH]1 2230a_100015189416_100016991755 [0,1,0,0,1,0|2,0,0]=4 10362 B11R1.4 FCCCNCc1ncc[nH]1 34a_100015189416_100016991755 [0,1,0,0,1,0|2,0,0]=4 10363 B11R1.4 FCCCNCc1ncco1 2230a_100015189416_103436540062 [0,1,0,0,1,0|2,0,0]=4 10364 B11R1.4 FCCCNCc1ncco1 2230a_100016994969_100011934791 [0,1,0,0,1,0|2,0,0]=4 10365 B11R1.4 FCCCNCc1ncco1 270004a_100015189416_100000064290 [0,1,0,0,1,0|2,0,0]=4 10366 B11R1.4 FCCCNCc1ncco1 34a_100015189416_103436540062 [0,1,0,0,1,0|2,0,0]=4 10367 B11R1.4 FCCCNCc1nccs1 207a_100015189416_100000750902 [0,1,0,0,1,0|2,0,0]=4 10368 B11R1.4 FCCCNCc1nccs1 2230a_100000740555_100011934791 [0,1,0,0,1,0|2,0,0]=4 10369 B11R1.4 FCCCNCc1nccs1 2230a_100015189416_100015184050 [0,1,0,0,1,0|2,0,0]=4 10370 B11R1.4 FCCCNCc1nccs1 270004a_100015189416_100000750902 [0,1,0,0,1,0|2,0,0]=4 10371 B11R1.4 FCCCNCc1nccs1 34a_100015189416_100015184050 [0,1,0,0,1,0|2,0,0]=4 10372 B11R1.4 FCCCOCc1c[nH]cn1 34a_100000759539_100000707719 [0,1,0,0,1,0|2,0,0]=4 10373 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [0,1,0,0,1,0|2,0,0]=4 10374 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [0,1,0,0,1,0|2,0,0]=4 10375 B11R1.4 FCCCOCc1ccoc1 34a_100011215357_100011934791 [0,1,0,0,1,0|2,0,0]=4 10376 B11R1.4 FCCCOCc1ccon1 34a_100000759539_100000234950 [0,1,0,0,1,0|2,0,0]=4 10377 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [0,1,0,0,1,0|2,0,0]=4 10378 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [0,1,0,0,1,0|2,0,0]=4 10379 B11R1.4 FCCCOCc1cscn1 34a_100000759539_100000205941 [0,1,0,0,1,0|2,0,0]=4 10380 B11R1.4 FCCCOCc1ncc[nH]1 34a_100000759539_100016991755 [0,1,0,0,1,0|2,0,0]=4 10381 B11R1.4 FCCCOCc1ncco1 34a_100000062594_100011934791 [0,1,0,0,1,0|2,0,0]=4 10382 B11R1.4 FCCCOCc1ncco1 34a_100000759539_103436540062 [0,1,0,0,1,0|2,0,0]=4 10383 B11R1.4 FCCCOCc1nccs1 34a_100000759539_100015184050 [0,1,0,0,1,0|2,0,0]=4 10384 B11R1.4 FCCCOCn1cccn1 34a_100000731028_100011934791 [0,1,0,0,1,0|2,0,0]=4 10385 B11R1.4 FCCCSCc1c[nH]cn1 62a_100000707719_100011934791 [0,1,0,0,1,0|2,0,0]=4 10386 B11R1.4 FCCCSCc1c[nH]cn1 62a_100011934791_100000707719 [0,1,0,0,1,0|2,0,0]=4 10387 B11R1.4 FCCCSCc1ccon1 62a_100000234950_100011934791 [0,1,0,0,1,0|2,0,0]=4 10388 B11R1.4 FCCCSCc1ccon1 62a_100011934791_100000234950 [0,1,0,0,1,0|2,0,0]=4 10389 B11R1.4 FCCCSCc1ccsc1 62a_100011261437_100011934791 [0,1,0,0,1,0|2,0,0]=4 10390 B11R1.4 FCCCSCc1ccsc1 62a_100011934791_100011233845 [0,1,0,0,1,0|2,0,0]=4 10391 B11R1.4 FCCCSCc1cscn1 62a_100000205941_100011934791 [0,1,0,0,1,0|2,0,0]=4 10392 B11R1.4 FCCCSCc1cscn1 62a_100011934791_100000205941 [0,1,0,0,1,0|2,0,0]=4 10393 B11R1.4 FCCCSCc1ncc[nH]1 62a_100011934791_100016991755 [0,1,0,0,1,0|2,0,0]=4 10394 B11R1.4 FCCCSCc1ncc[nH]1 62a_100016991755_100011934791 [0,1,0,0,1,0|2,0,0]=4 10395 B11R1.4 FCCCSCc1ncco1 62a_100011934791_103436540062 [0,1,0,0,1,0|2,0,0]=4 10396 B11R1.4 FCCCSCc1ncco1 62a_103436540062_100011934791 [0,1,0,0,1,0|2,0,0]=4 10397 B11R1.4 FCCCSCc1nccs1 62a_100011934791_100015184050 [0,1,0,0,1,0|2,0,0]=4 10398 B11R1.4 FCCCSCc1nccs1 62a_100015184050_100011934791 [0,1,0,0,1,0|2,0,0]=4 10399 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [0,1,0,0,1,0|2,0,0]=4 10400 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [0,1,0,0,1,0|2,0,0]=4 10401 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [0,1,0,0,1,0|2,0,0]=4 10402 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [0,1,0,0,1,0|2,0,0]=4 10403 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [0,1,0,0,1,0|2,0,0]=4 10404 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [0,1,0,0,1,0|2,0,0]=4 10405 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [0,1,0,0,1,0|2,0,0]=4 10406 B11R1.4 FCCNCCc1nccs1 2230a_100015186391_100011217306 [0,1,0,0,1,0|2,0,0]=4 10407 B11R1.4 FCCNCCn1cccc1 34a_100011368172_100011217306 [0,1,0,0,1,0|2,0,0]=4 10408 B11R1.4 FCCNCCn1cccn1 2230a_100011200920_100011217306 [0,1,0,0,1,0|2,0,0]=4 10409 B11R1.4 FCCNCCn1cccn1 34a_100000724931_100015204718 [0,1,0,0,1,0|2,0,0]=4 10410 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [0,1,0,0,1,0|2,0,0]=4 10411 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [0,1,0,0,1,0|2,0,0]=4 10412 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [0,1,0,0,1,0|2,0,0]=4 10413 B11R1.4 FCCOCCc1ncc[nH]1 34a_103549771195_100011217306 [0,1,0,0,1,0|2,0,0]=4 10414 B11R1.4 FCCOCCn1cccc1 34a_100000179382_100011217306 [0,1,0,0,1,0|2,0,0]=4 10415 B11R1.4 FCCOCCn1cccn1 34a_100000743371_100011217306 [0,1,0,0,1,0|2,0,0]=4 10416 B11R1.4 FCCSCCc1c[nH]cn1 62a_100011217306_100020628418 [0,1,0,0,1,0|2,0,0]=4 10417 B11R1.4 FCCSCCc1c[nH]cn1 62a_100020628418_100011217306 [0,1,0,0,1,0|2,0,0]=4 10418 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [0,1,0,0,1,0|2,0,0]=4 10419 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [0,1,0,0,1,0|2,0,0]=4 10420 B11R1.4 FCCSCCn1cccc1 62a_100011217306_200000035178 [0,1,0,0,1,0|2,0,0]=4 10421 B11R1.4 FCCSCCn1cccc1 62a_200009811947_100011217306 [0,1,0,0,1,0|2,0,0]=4 10422 B11R1.4 FCCSCCn1cccn1 62a_100011217306_100000685285 [0,1,0,0,1,0|2,0,0]=4 10423 B11R1.4 FCCSCCn1cccn1 62a_100015204718_100011217306 [0,1,0,0,1,0|2,0,0]=4 10424 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [0,1,0,0,1,0|2,0,0]=4 10425 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [0,1,0,0,1,0|2,0,0]=4 10426 B11R1.4 FCOCCCc1ccsc1 34a_200000699776_100015361967 [0,1,0,0,1,0|2,0,0]=4 10427 B11R1.4 FCOCCCc1ccsc1 7a_200000699776_100015361967 [0,1,0,0,1,0|2,0,0]=4 10428 B11R1.4 FCOCCCn1cccc1 34a_100000179399_100015361967 [0,1,0,0,1,0|2,0,0]=4 10429 B11R1.4 FCOCCCn1cccc1 7a_100000179399_100015361967 [0,1,0,0,1,0|2,0,0]=4 10430 B11R1.4 FCOCCCn1cccn1 34a_100000753614_100015361967 [0,1,0,0,1,0|2,0,0]=4 10431 B11R1.4 FCSCCCc1cccs1 62a_100010992444_100015361967 [0,1,0,0,1,0|2,0,0]=4 10432 B11R1.4 FCSCCCc1cccs1 62a_100015361967_100010992444 [0,1,0,0,1,0|2,0,0]=4 10433 B11R1.4 FCSCCCn1cccc1 62a_100015361967_200009814367 [0,1,0,0,1,0|2,0,0]=4 10434 B11R1.4 FCSCCCn1cccc1 62a_200009814367_100015361967 [0,1,0,0,1,0|2,0,0]=4 10435 B11R1.4 FCSCCCn1cccn1 62a_100000739983_100015361967 [0,1,0,0,1,0|2,0,0]=4 10436 B11R1.4 FCSCCCn1cccn1 62a_100015361967_100000739983 [0,1,0,0,1,0|2,0,0]=4 10437 B11R1.4 NCCCOCc1c[nH]cn1 34a_100000182051_100000707719 [0,1,0,0,1,0|2,0,0]=4 10438 B11R1.4 NCCCOCc1ccon1 34a_100000182051_100000234950 [0,1,0,0,1,0|2,0,0]=4 10439 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [0,1,0,0,1,0|2,0,0]=4 10440 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [0,1,0,0,1,0|2,0,0]=4 10441 B11R1.4 NCCCOCc1ncc[nH]1 34a_100000182051_100016991755 [0,1,0,0,1,0|2,0,0]=4 10442 B11R1.4 NCCCOCc1ncco1 34a_100000182051_103436540062 [0,1,0,0,1,0|2,0,0]=4 10443 B11R1.4 NCCCOCc1nccs1 34a_100000182051_100015184050 [0,1,0,0,1,0|2,0,0]=4 10444 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [0,1,0,0,1,0|2,0,0]=4 10445 B11R1.4 NCCOCCn1cccn1 34a_100000210304_100015204718 [0,1,0,0,1,0|2,0,0]=4 10446 B11R1.4 OCCCCOc1ccsc1 34a_100000106738_100011216708 [0,1,0,0,1,0|2,0,0]=4 10447 B11R1.4 OCCCCOc1ccsc1 7a_100000106738_100000210776 [0,1,0,0,1,0|2,0,0]=4 10448 B11R1.4 OCCCCSc1c[nH]cn1 62a_100000210776_100000756875 [0,1,0,0,1,0|2,0,0]=4 10449 B11R1.4 OCCCCSc1c[nH]cn1 62a_100000756875_100000210776 [0,1,0,0,1,0|2,0,0]=4 10450 B11R1.4 OCCCCSc1cc[nH]n1 62a_100000062575_100000210776 [0,1,0,0,1,0|2,0,0]=4 10451 B11R1.4 OCCCCSc1cc[nH]n1 62a_100000210776_100000062575 [0,1,0,0,1,0|2,0,0]=4 10452 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [0,1,0,0,1,0|2,0,0]=4 10453 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [0,1,0,0,1,0|2,0,0]=4 10454 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [0,1,0,0,1,0|2,0,0]=4 10455 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [0,1,0,0,1,0|2,0,0]=4 10456 B11R1.4 OCCCCSc1ccoc1 62a_100000210776_100011215275 [0,1,0,0,1,0|2,0,0]=4 10457 B11R1.4 OCCCCSc1ccoc1 62a_100011215275_100000210776 [0,1,0,0,1,0|2,0,0]=4 10458 B11R1.4 OCCCCSc1ccon1 62a_100000210776_100009818083 [0,1,0,0,1,0|2,0,0]=4 10459 B11R1.4 OCCCCSc1ccon1 62a_100009818083_100000210776 [0,1,0,0,1,0|2,0,0]=4 10460 B11R1.4 OCCCCSc1ccsc1 62a_100000210776_100000738268 [0,1,0,0,1,0|2,0,0]=4 10461 B11R1.4 OCCCCSc1ccsc1 62a_100000738268_100000210776 [0,1,0,0,1,0|2,0,0]=4 10462 B11R1.4 OCCCCSc1ccsn1 62a_100000210776_100009818082 [0,1,0,0,1,0|2,0,0]=4 10463 B11R1.4 OCCCCSc1ccsn1 62a_100009818082_100000210776 [0,1,0,0,1,0|2,0,0]=4 10464 B11R1.4 OCCCCSc1cscn1 62a_100000210776_100000751502 [0,1,0,0,1,0|2,0,0]=4 10465 B11R1.4 OCCCCSc1cscn1 62a_100000751502_100000210776 [0,1,0,0,1,0|2,0,0]=4 10466 B11R1.4 OCCCCSc1ncc[nH]1 62a_100000210776_100025796157 [0,1,0,0,1,0|2,0,0]=4 10467 B11R1.4 OCCCCSc1ncc[nH]1 62a_100025796157_100000210776 [0,1,0,0,1,0|2,0,0]=4 10468 B11R1.4 OCCCCSc1ncco1 62a_100000210776_100011787736 [0,1,0,0,1,0|2,0,0]=4 10469 B11R1.4 OCCCCSc1ncco1 62a_100011787736_100000210776 [0,1,0,0,1,0|2,0,0]=4 10470 B11R1.4 OCCCCSc1nccs1 62a_100000210776_100000211983 [0,1,0,0,1,0|2,0,0]=4 10471 B11R1.4 OCCCCSc1nccs1 62a_100000211983_100000210776 [0,1,0,0,1,0|2,0,0]=4 10472 B11R1.4 OCCCNCc1cc[nH]n1 207a_100000182051_100000738523 [0,1,0,0,1,0|2,0,0]=4 10473 B11R1.4 OCCCNCc1cc[nH]n1 270004a_100000182051_100000738523 [0,1,0,0,1,0|2,0,0]=4 10474 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [0,1,0,0,1,0|2,0,0]=4 10475 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [0,1,0,0,1,0|2,0,0]=4 10476 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [0,1,0,0,1,0|2,0,0]=4 10477 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [0,1,0,0,1,0|2,0,0]=4 10478 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [0,1,0,0,1,0|2,0,0]=4 10479 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [0,1,0,0,1,0|2,0,0]=4 10480 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [0,1,0,0,1,0|2,0,0]=4 10481 B11R1.4 OCCCNCc1ccoc1 207a_100000182051_100011215517 [0,1,0,0,1,0|2,0,0]=4 10482 B11R1.4 OCCCNCc1ccoc1 2230a_100015206860_100000230001 [0,1,0,0,1,0|2,0,0]=4 10483 B11R1.4 OCCCNCc1ccoc1 270004a_100000182051_100011215517 [0,1,0,0,1,0|2,0,0]=4 10484 B11R1.4 OCCCNCc1ccoc1 34a_100015206860_100000230001 [0,1,0,0,1,0|2,0,0]=4 10485 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [0,1,0,0,1,0|2,0,0]=4 10486 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [0,1,0,0,1,0|2,0,0]=4 10487 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [0,1,0,0,1,0|2,0,0]=4 10488 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [0,1,0,0,1,0|2,0,0]=4 10489 B11R1.4 OCCCNCc1cocn1 270004a_100000182051_100000050382 [0,1,0,0,1,0|2,0,0]=4 10490 B11R1.4 OCCCNCc1cscn1 207a_100000182051_100000743575 [0,1,0,0,1,0|2,0,0]=4 10491 B11R1.4 OCCCNCc1cscn1 2230a_100015185402_100000230001 [0,1,0,0,1,0|2,0,0]=4 10492 B11R1.4 OCCCNCc1cscn1 270004a_100000182051_100000743575 [0,1,0,0,1,0|2,0,0]=4 10493 B11R1.4 OCCCNCc1ncc[nH]1 207a_100000182051_100000743867 [0,1,0,0,1,0|2,0,0]=4 10494 B11R1.4 OCCCNCc1ncco1 2230a_100016994969_100000230001 [0,1,0,0,1,0|2,0,0]=4 10495 B11R1.4 OCCCNCc1ncco1 270004a_100000182051_100000064290 [0,1,0,0,1,0|2,0,0]=4 10496 B11R1.4 OCCCNCc1nccs1 207a_100000182051_100000750902 [0,1,0,0,1,0|2,0,0]=4 10497 B11R1.4 OCCCNCc1nccs1 2230a_100000740555_100000230001 [0,1,0,0,1,0|2,0,0]=4 10498 B11R1.4 OCCCNCc1nccs1 270004a_100000182051_100000750902 [0,1,0,0,1,0|2,0,0]=4 10499 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [0,1,0,0,1,0|2,0,0]=4 10500 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [0,1,0,0,1,0|2,0,0]=4 10501 B11R1.4 OCCCOCc1ccoc1 34a_100011215357_100000230001 [0,1,0,0,1,0|2,0,0]=4 10502 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [0,1,0,0,1,0|2,0,0]=4 10503 B11R1.4 OCCCOCc1ncco1 34a_100000062594_100000230001 [0,1,0,0,1,0|2,0,0]=4 10504 B11R1.4 OCCCOCn1cccn1 34a_100000731028_100000230001 [0,1,0,0,1,0|2,0,0]=4 10505 B11R1.4 OCCCSCc1c[nH]cn1 62a_100000707719_100011215043 [0,1,0,0,1,0|2,0,0]=4 10506 B11R1.4 OCCCSCc1c[nH]cn1 62a_100011215043_100000707719 [0,1,0,0,1,0|2,0,0]=4 10507 B11R1.4 OCCCSCc1ccon1 62a_100000234950_100011215043 [0,1,0,0,1,0|2,0,0]=4 10508 B11R1.4 OCCCSCc1ccon1 62a_100011215043_100000234950 [0,1,0,0,1,0|2,0,0]=4 10509 B11R1.4 OCCCSCc1ccsc1 62a_100011215043_100011233845 [0,1,0,0,1,0|2,0,0]=4 10510 B11R1.4 OCCCSCc1ccsc1 62a_100011261437_100011215043 [0,1,0,0,1,0|2,0,0]=4 10511 B11R1.4 OCCCSCc1cscn1 62a_100000205941_100011215043 [0,1,0,0,1,0|2,0,0]=4 10512 B11R1.4 OCCCSCc1cscn1 62a_100011215043_100000205941 [0,1,0,0,1,0|2,0,0]=4 10513 B11R1.4 OCCCSCc1ncc[nH]1 62a_100011215043_100016991755 [0,1,0,0,1,0|2,0,0]=4 10514 B11R1.4 OCCCSCc1ncc[nH]1 62a_100016991755_100011215043 [0,1,0,0,1,0|2,0,0]=4 10515 B11R1.4 OCCCSCc1ncco1 62a_100011215043_103436540062 [0,1,0,0,1,0|2,0,0]=4 10516 B11R1.4 OCCCSCc1ncco1 62a_103436540062_100011215043 [0,1,0,0,1,0|2,0,0]=4 10517 B11R1.4 OCCCSCc1nccs1 62a_100011215043_100015184050 [0,1,0,0,1,0|2,0,0]=4 10518 B11R1.4 OCCCSCc1nccs1 62a_100015184050_100011215043 [0,1,0,0,1,0|2,0,0]=4 10519 B11R1.4 OCCNCCc1c[nH]cn1 2230a_100016997473_100020628418 [0,1,0,0,1,0|2,0,0]=4 10520 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [0,1,0,0,1,0|2,0,0]=4 10521 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [0,1,0,0,1,0|2,0,0]=4 10522 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [0,1,0,0,1,0|2,0,0]=4 10523 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [0,1,0,0,1,0|2,0,0]=4 10524 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [0,1,0,0,1,0|2,0,0]=4 10525 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [0,1,0,0,1,0|2,0,0]=4 10526 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [0,1,0,0,1,0|2,0,0]=4 10527 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [0,1,0,0,1,0|2,0,0]=4 10528 B11R1.4 OCCNCCc1nccs1 2230a_100015186391_100000211926 [0,1,0,0,1,0|2,0,0]=4 10529 B11R1.4 OCCNCCn1cccc1 2230a_100016997473_200009811947 [0,1,0,0,1,0|2,0,0]=4 10530 B11R1.4 OCCNCCn1cccc1 34a_100011368172_100000211926 [0,1,0,0,1,0|2,0,0]=4 10531 B11R1.4 OCCNCCn1cccn1 2230a_100011200920_100000211926 [0,1,0,0,1,0|2,0,0]=4 10532 B11R1.4 OCCNCCn1cccn1 2230a_100016997473_100000685285 [0,1,0,0,1,0|2,0,0]=4 10533 B11R1.4 OCCNCCn1cccn1 34a_100016990907_100015204718 [0,1,0,0,1,0|2,0,0]=4 10534 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [0,1,0,0,1,0|2,0,0]=4 10535 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [0,1,0,0,1,0|2,0,0]=4 10536 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [0,1,0,0,1,0|2,0,0]=4 10537 B11R1.4 OCCOCCc1ncc[nH]1 34a_103549771195_100000211926 [0,1,0,0,1,0|2,0,0]=4 10538 B11R1.4 OCCOCCn1cccc1 34a_100000179382_100000211926 [0,1,0,0,1,0|2,0,0]=4 10539 B11R1.4 OCCOCCn1cccn1 34a_100000743371_100000211926 [0,1,0,0,1,0|2,0,0]=4 10540 B11R1.4 OCCSCCc1c[nH]cn1 62a_100000211926_100020628418 [0,1,0,0,1,0|2,0,0]=4 10541 B11R1.4 OCCSCCc1c[nH]cn1 62a_100020628418_100000211926 [0,1,0,0,1,0|2,0,0]=4 10542 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [0,1,0,0,1,0|2,0,0]=4 10543 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [0,1,0,0,1,0|2,0,0]=4 10544 B11R1.4 OCCSCCn1cccc1 62a_100000211926_200000035178 [0,1,0,0,1,0|2,0,0]=4 10545 B11R1.4 OCCSCCn1cccc1 62a_200009811947_100000211926 [0,1,0,0,1,0|2,0,0]=4 10546 B11R1.4 OCCSCCn1cccn1 62a_100000211926_100000685285 [0,1,0,0,1,0|2,0,0]=4 10547 B11R1.4 OCCSCCn1cccn1 62a_100015204718_100000211926 [0,1,0,0,1,0|2,0,0]=4 10548 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [0,1,0,0,1,0|2,0,0]=4 10549 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [0,1,0,0,1,0|2,0,0]=4 10550 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,1,0,0,1,0|2,0,0]=4 10551 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,1,0,0,1,0|2,0,0]=4 10552 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,1,0,0,1,0|1,0,1]=4 10553 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [0,1,0,0,1,0|1,0,1]=4 10554 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,1,0,0,1,0|0,0,2]=4 10555 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,0,1,0|1,0,1]=4 10556 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,1,0,0,1,0|1,0,1]=4 10557 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,1,0,0,1,0|1,0,1]=4 10558 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [0,1,0,0,1,0|1,0,1]=4 10559 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,1,0,0,1,0|1,0,1]=4 10560 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,1,0,0,1,0|1,0,1]=4 10561 B11R1.25 CCC(=O)CCn1cccc1 1458a_100000210414_200000035178 [0,1,0,0,1,0|1,0,1]=4 10562 B11R1.25 CCC(=O)CCn1cccc1 1458a_100011196273_100000210202 [0,1,0,0,1,0|1,0,1]=4 10563 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,1,0,0,1,0|1,0,1]=4 10564 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,1,0,0,1,0|1,0,1]=4 10565 B11R1.25 CCC(C)COc1ccsc1 34a_100000106738_100000748023 [0,1,0,0,1,0|2,0,0]=4 10566 B11R1.25 CCC(C)COc1ccsc1 7a_100000106738_100000748023 [0,1,0,0,1,0|2,0,0]=4 10567 B11R1.25 CCC(C)CSc1c[nH]cn1 62a_100000748023_100000756875 [0,1,0,0,1,0|2,0,0]=4 10568 B11R1.25 CCC(C)CSc1c[nH]cn1 62a_100000756875_100000748023 [0,1,0,0,1,0|2,0,0]=4 10569 B11R1.25 CCC(C)CSc1cc[nH]n1 62a_100000062575_100000748023 [0,1,0,0,1,0|2,0,0]=4 10570 B11R1.25 CCC(C)CSc1cc[nH]n1 62a_100000748023_100000062575 [0,1,0,0,1,0|2,0,0]=4 10571 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [0,1,0,0,1,0|2,0,0]=4 10572 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [0,1,0,0,1,0|2,0,0]=4 10573 B11R1.25 CCC(C)CSc1cccs1 62a_100000748023_100011215356 [0,1,0,0,1,0|2,0,0]=4 10574 B11R1.25 CCC(C)CSc1cccs1 62a_100011215356_100000748023 [0,1,0,0,1,0|2,0,0]=4 10575 B11R1.25 CCC(C)CSc1ccoc1 62a_100000748023_100011215275 [0,1,0,0,1,0|2,0,0]=4 10576 B11R1.25 CCC(C)CSc1ccoc1 62a_100011215275_100000748023 [0,1,0,0,1,0|2,0,0]=4 10577 B11R1.25 CCC(C)CSc1ccon1 62a_100000748023_100009818083 [0,1,0,0,1,0|2,0,0]=4 10578 B11R1.25 CCC(C)CSc1ccon1 62a_100009818083_100000748023 [0,1,0,0,1,0|2,0,0]=4 10579 B11R1.25 CCC(C)CSc1ccsc1 62a_100000738268_100000748023 [0,1,0,0,1,0|2,0,0]=4 10580 B11R1.25 CCC(C)CSc1ccsc1 62a_100000748023_100000738268 [0,1,0,0,1,0|2,0,0]=4 10581 B11R1.25 CCC(C)CSc1ccsn1 62a_100000748023_100009818082 [0,1,0,0,1,0|2,0,0]=4 10582 B11R1.25 CCC(C)CSc1ccsn1 62a_100009818082_100000748023 [0,1,0,0,1,0|2,0,0]=4 10583 B11R1.25 CCC(C)CSc1cscn1 62a_100000748023_100000751502 [0,1,0,0,1,0|2,0,0]=4 10584 B11R1.25 CCC(C)CSc1cscn1 62a_100000751502_100000748023 [0,1,0,0,1,0|2,0,0]=4 10585 B11R1.25 CCC(C)CSc1ncc[nH]1 62a_100000748023_100025796157 [0,1,0,0,1,0|2,0,0]=4 10586 B11R1.25 CCC(C)CSc1ncc[nH]1 62a_100025796157_100000748023 [0,1,0,0,1,0|2,0,0]=4 10587 B11R1.25 CCC(C)CSc1ncco1 62a_100000748023_100011787736 [0,1,0,0,1,0|2,0,0]=4 10588 B11R1.25 CCC(C)CSc1ncco1 62a_100011787736_100000748023 [0,1,0,0,1,0|2,0,0]=4 10589 B11R1.25 CCC(C)CSc1nccs1 62a_100000211983_100000748023 [0,1,0,0,1,0|2,0,0]=4 10590 B11R1.25 CCC(C)CSc1nccs1 62a_100000748023_100000211983 [0,1,0,0,1,0|2,0,0]=4 10591 B11R1.25 CCC(C)NCc1c[nH]cn1 2230a_100000209981_100000707719 [0,1,0,0,1,0|2,0,0]=4 10592 B11R1.25 CCC(C)NCc1cc[nH]n1 207a_100000209981_100000738523 [0,1,0,0,1,0|2,0,0]=4 10593 B11R1.25 CCC(C)NCc1cc[nH]n1 270004a_100000209981_100000738523 [0,1,0,0,1,0|2,0,0]=4 10594 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,1,0,0,1,0|2,0,0]=4 10595 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,1,0,0,1,0|2,0,0]=4 10596 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,1,0,0,1,0|2,0,0]=4 10597 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,1,0,0,1,0|2,0,0]=4 10598 B11R1.25 CCC(C)NCc1cccs1 207a_100000209981_100000209959 [0,1,0,0,1,0|2,0,0]=4 10599 B11R1.25 CCC(C)NCc1cccs1 2230a_100000211653_100000758301 [0,1,0,0,1,0|2,0,0]=4 10600 B11R1.25 CCC(C)NCc1cccs1 270004a_100000209981_100000209959 [0,1,0,0,1,0|2,0,0]=4 10601 B11R1.25 CCC(C)NCc1ccoc1 207a_100000209981_100011215517 [0,1,0,0,1,0|2,0,0]=4 10602 B11R1.25 CCC(C)NCc1ccoc1 2230a_100015206860_100000758301 [0,1,0,0,1,0|2,0,0]=4 10603 B11R1.25 CCC(C)NCc1ccoc1 270004a_100000209981_100011215517 [0,1,0,0,1,0|2,0,0]=4 10604 B11R1.25 CCC(C)NCc1ccoc1 34a_100015206860_100011215416 [0,1,0,0,1,0|2,0,0]=4 10605 B11R1.25 CCC(C)NCc1ccon1 2230a_100000209981_100000234950 [0,1,0,0,1,0|2,0,0]=4 10606 B11R1.25 CCC(C)NCc1ccsc1 207a_100000209981_100000188534 [0,1,0,0,1,0|2,0,0]=4 10607 B11R1.25 CCC(C)NCc1ccsc1 2230a_100000186416_100000758301 [0,1,0,0,1,0|2,0,0]=4 10608 B11R1.25 CCC(C)NCc1ccsc1 2230a_100000209981_100011261437 [0,1,0,0,1,0|2,0,0]=4 10609 B11R1.25 CCC(C)NCc1ccsc1 270004a_100000209981_100000188534 [0,1,0,0,1,0|2,0,0]=4 10610 B11R1.25 CCC(C)NCc1ccsc1 34a_100000186416_100011215416 [0,1,0,0,1,0|2,0,0]=4 10611 B11R1.25 CCC(C)NCc1cocn1 270004a_100000209981_100000050382 [0,1,0,0,1,0|2,0,0]=4 10612 B11R1.25 CCC(C)NCc1cscn1 207a_100000209981_100000743575 [0,1,0,0,1,0|2,0,0]=4 10613 B11R1.25 CCC(C)NCc1cscn1 2230a_100000209981_100000205941 [0,1,0,0,1,0|2,0,0]=4 10614 B11R1.25 CCC(C)NCc1cscn1 2230a_100015185402_100000758301 [0,1,0,0,1,0|2,0,0]=4 10615 B11R1.25 CCC(C)NCc1cscn1 270004a_100000209981_100000743575 [0,1,0,0,1,0|2,0,0]=4 10616 B11R1.25 CCC(C)NCc1ncc[nH]1 207a_100000209981_100000743867 [0,1,0,0,1,0|2,0,0]=4 10617 B11R1.25 CCC(C)NCc1ncc[nH]1 2230a_100000209981_100016991755 [0,1,0,0,1,0|2,0,0]=4 10618 B11R1.25 CCC(C)NCc1ncco1 2230a_100000209981_103436540062 [0,1,0,0,1,0|2,0,0]=4 10619 B11R1.25 CCC(C)NCc1ncco1 2230a_100016994969_100000758301 [0,1,0,0,1,0|2,0,0]=4 10620 B11R1.25 CCC(C)NCc1ncco1 270004a_100000209981_100000064290 [0,1,0,0,1,0|2,0,0]=4 10621 B11R1.25 CCC(C)NCc1nccs1 207a_100000209981_100000750902 [0,1,0,0,1,0|2,0,0]=4 10622 B11R1.25 CCC(C)NCc1nccs1 2230a_100000209981_100015184050 [0,1,0,0,1,0|2,0,0]=4 10623 B11R1.25 CCC(C)NCc1nccs1 2230a_100000740555_100000758301 [0,1,0,0,1,0|2,0,0]=4 10624 B11R1.25 CCC(C)NCc1nccs1 270004a_100000209981_100000750902 [0,1,0,0,1,0|2,0,0]=4 10625 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,1,0,0,1,0|2,0,0]=4 10626 B11R1.25 CCC(C)OCc1cccs1 34a_100000211240_100011215416 [0,1,0,0,1,0|2,0,0]=4 10627 B11R1.25 CCC(C)OCc1ccoc1 34a_100011215357_100011215416 [0,1,0,0,1,0|2,0,0]=4 10628 B11R1.25 CCC(C)OCc1ccon1 7a_100000210228_100000234950 [0,1,0,0,1,0|2,0,0]=4 10629 B11R1.25 CCC(C)OCc1ccsc1 34a_100011215551_100011215416 [0,1,0,0,1,0|2,0,0]=4 10630 B11R1.25 CCC(C)OCc1ccsc1 7a_100000210228_100011261437 [0,1,0,0,1,0|2,0,0]=4 10631 B11R1.25 CCC(C)OCc1cscn1 7a_100000210228_100000205941 [0,1,0,0,1,0|2,0,0]=4 10632 B11R1.25 CCC(C)OCc1ncc[nH]1 7a_100000210228_100000753453 [0,1,0,0,1,0|2,0,0]=4 10633 B11R1.25 CCC(C)OCc1ncco1 34a_100000062594_100011215416 [0,1,0,0,1,0|2,0,0]=4 10634 B11R1.25 CCC(C)OCc1ncco1 7a_100000210228_103436540062 [0,1,0,0,1,0|2,0,0]=4 10635 B11R1.25 CCC(C)OCc1nccs1 7a_100000210228_100015184050 [0,1,0,0,1,0|2,0,0]=4 10636 B11R1.25 CCC(C)OCn1cccn1 34a_100000731028_100011215416 [0,1,0,0,1,0|2,0,0]=4 10637 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000707719_100000758301 [0,1,0,0,1,0|2,0,0]=4 10638 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000758301_100000707719 [0,1,0,0,1,0|2,0,0]=4 10639 B11R1.25 CCC(C)SCc1ccon1 62a_100000234950_100000758301 [0,1,0,0,1,0|2,0,0]=4 10640 B11R1.25 CCC(C)SCc1ccon1 62a_100000758301_100000234950 [0,1,0,0,1,0|2,0,0]=4 10641 B11R1.25 CCC(C)SCc1ccsc1 62a_100000758301_100011233845 [0,1,0,0,1,0|2,0,0]=4 10642 B11R1.25 CCC(C)SCc1ccsc1 62a_100011261437_100000758301 [0,1,0,0,1,0|2,0,0]=4 10643 B11R1.25 CCC(C)SCc1cscn1 62a_100000205941_100000758301 [0,1,0,0,1,0|2,0,0]=4 10644 B11R1.25 CCC(C)SCc1cscn1 62a_100000758301_100000205941 [0,1,0,0,1,0|2,0,0]=4 10645 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100000758301_100016991755 [0,1,0,0,1,0|2,0,0]=4 10646 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100016991755_100000758301 [0,1,0,0,1,0|2,0,0]=4 10647 B11R1.25 CCC(C)SCc1ncco1 62a_100000758301_103436540062 [0,1,0,0,1,0|2,0,0]=4 10648 B11R1.25 CCC(C)SCc1ncco1 62a_103436540062_100000758301 [0,1,0,0,1,0|2,0,0]=4 10649 B11R1.25 CCC(C)SCc1nccs1 62a_100000758301_100015184050 [0,1,0,0,1,0|2,0,0]=4 10650 B11R1.25 CCC(C)SCc1nccs1 62a_100015184050_100000758301 [0,1,0,0,1,0|2,0,0]=4 10651 B11R1.25 CCC(O)COc1ccsc1 34a_100000106738_100011218378 [0,1,0,0,1,0|2,0,0]=4 10652 B11R1.25 CCC(O)COc1ccsc1 7a_100000106738_100011218378 [0,1,0,0,1,0|2,0,0]=4 10653 B11R1.25 CCC(O)CSc1c[nH]cn1 62a_100000756875_100011218378 [0,1,0,0,1,0|2,0,0]=4 10654 B11R1.25 CCC(O)CSc1c[nH]cn1 62a_100011218378_100000756875 [0,1,0,0,1,0|2,0,0]=4 10655 B11R1.25 CCC(O)CSc1cc[nH]n1 62a_100000062575_100011218378 [0,1,0,0,1,0|2,0,0]=4 10656 B11R1.25 CCC(O)CSc1cc[nH]n1 62a_100011218378_100000062575 [0,1,0,0,1,0|2,0,0]=4 10657 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [0,1,0,0,1,0|2,0,0]=4 10658 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [0,1,0,0,1,0|2,0,0]=4 10659 B11R1.25 CCC(O)CSc1cccs1 62a_100011215356_100011218378 [0,1,0,0,1,0|2,0,0]=4 10660 B11R1.25 CCC(O)CSc1cccs1 62a_100011218378_100011215356 [0,1,0,0,1,0|2,0,0]=4 10661 B11R1.25 CCC(O)CSc1ccoc1 62a_100011215275_100011218378 [0,1,0,0,1,0|2,0,0]=4 10662 B11R1.25 CCC(O)CSc1ccoc1 62a_100011218378_100011215275 [0,1,0,0,1,0|2,0,0]=4 10663 B11R1.25 CCC(O)CSc1ccon1 62a_100009818083_100011218378 [0,1,0,0,1,0|2,0,0]=4 10664 B11R1.25 CCC(O)CSc1ccon1 62a_100011218378_100009818083 [0,1,0,0,1,0|2,0,0]=4 10665 B11R1.25 CCC(O)CSc1ccsc1 62a_100000738268_100011218378 [0,1,0,0,1,0|2,0,0]=4 10666 B11R1.25 CCC(O)CSc1ccsc1 62a_100011218378_100000738268 [0,1,0,0,1,0|2,0,0]=4 10667 B11R1.25 CCC(O)CSc1ccsn1 62a_100009818082_100011218378 [0,1,0,0,1,0|2,0,0]=4 10668 B11R1.25 CCC(O)CSc1ccsn1 62a_100011218378_100009818082 [0,1,0,0,1,0|2,0,0]=4 10669 B11R1.25 CCC(O)CSc1cscn1 62a_100000751502_100011218378 [0,1,0,0,1,0|2,0,0]=4 10670 B11R1.25 CCC(O)CSc1cscn1 62a_100011218378_100000751502 [0,1,0,0,1,0|2,0,0]=4 10671 B11R1.25 CCC(O)CSc1ncc[nH]1 62a_100011218378_100025796157 [0,1,0,0,1,0|2,0,0]=4 10672 B11R1.25 CCC(O)CSc1ncc[nH]1 62a_100025796157_100011218378 [0,1,0,0,1,0|2,0,0]=4 10673 B11R1.25 CCC(O)CSc1ncco1 62a_100011218378_100011787736 [0,1,0,0,1,0|2,0,0]=4 10674 B11R1.25 CCC(O)CSc1ncco1 62a_100011787736_100011218378 [0,1,0,0,1,0|2,0,0]=4 10675 B11R1.25 CCC(O)CSc1nccs1 62a_100000211983_100011218378 [0,1,0,0,1,0|2,0,0]=4 10676 B11R1.25 CCC(O)CSc1nccs1 62a_100011218378_100000211983 [0,1,0,0,1,0|2,0,0]=4 10677 B11R1.25 CCN(C)CCc1c[nH]cn1 2230a_100000225621_100020628418 [0,1,0,0,1,0|2,0,0]=4 10678 B11R1.25 CCN(C)CCc1c[nH]cn1 269982a_100000225621_100020628418 [0,1,0,0,1,0|2,0,0]=4 10679 B11R1.25 CCN(C)CCc1cccs1 2230a_100000225621_100000748579 [0,1,0,0,1,0|2,0,0]=4 10680 B11R1.25 CCN(C)CCc1cccs1 269982a_100000225621_100000748579 [0,1,0,0,1,0|2,0,0]=4 10681 B11R1.25 CCN(C)CCn1cccc1 2230a_100000225621_200009811947 [0,1,0,0,1,0|2,0,0]=4 10682 B11R1.25 CCN(C)CCn1cccc1 269982a_100000225621_200000035178 [0,1,0,0,1,0|2,0,0]=4 10683 B11R1.25 CCN(C)CCn1cccn1 2230a_100000225621_100000685285 [0,1,0,0,1,0|2,0,0]=4 10684 B11R1.25 CCN(C)CCn1cccn1 269982a_100000225621_100000685285 [0,1,0,0,1,0|2,0,0]=4 10685 B11R1.25 CC[C@H](C)COc1ccsc1 34a_100000106738_100009816398 [0,1,0,0,1,0|2,0,0]=4 10686 B11R1.25 CC[C@H](C)COc1ccsc1 7a_100000106738_100009816398 [0,1,0,0,1,0|2,0,0]=4 10687 B11R1.25 CC[C@H](C)CSc1c[nH]cn1 62a_100000756875_100009816398 [0,1,0,0,1,0|2,0,0]=4 10688 B11R1.25 CC[C@H](C)CSc1c[nH]cn1 62a_100009816398_100000756875 [0,1,0,0,1,0|2,0,0]=4 10689 B11R1.25 CC[C@H](C)CSc1cc[nH]n1 62a_100000062575_100009816398 [0,1,0,0,1,0|2,0,0]=4 10690 B11R1.25 CC[C@H](C)CSc1cc[nH]n1 62a_100009816398_100000062575 [0,1,0,0,1,0|2,0,0]=4 10691 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [0,1,0,0,1,0|2,0,0]=4 10692 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [0,1,0,0,1,0|2,0,0]=4 10693 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100009816398_100011215356 [0,1,0,0,1,0|2,0,0]=4 10694 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100011215356_100009816398 [0,1,0,0,1,0|2,0,0]=4 10695 B11R1.25 CC[C@H](C)CSc1ccoc1 62a_100009816398_100011215275 [0,1,0,0,1,0|2,0,0]=4 10696 B11R1.25 CC[C@H](C)CSc1ccoc1 62a_100011215275_100009816398 [0,1,0,0,1,0|2,0,0]=4 10697 B11R1.25 CC[C@H](C)CSc1ccon1 62a_100009816398_100009818083 [0,1,0,0,1,0|2,0,0]=4 10698 B11R1.25 CC[C@H](C)CSc1ccon1 62a_100009818083_100009816398 [0,1,0,0,1,0|2,0,0]=4 10699 B11R1.25 CC[C@H](C)CSc1ccsc1 62a_100000738268_100009816398 [0,1,0,0,1,0|2,0,0]=4 10700 B11R1.25 CC[C@H](C)CSc1ccsc1 62a_100009816398_100000738268 [0,1,0,0,1,0|2,0,0]=4 10701 B11R1.25 CC[C@H](C)CSc1ccsn1 62a_100009816398_100009818082 [0,1,0,0,1,0|2,0,0]=4 10702 B11R1.25 CC[C@H](C)CSc1ccsn1 62a_100009818082_100009816398 [0,1,0,0,1,0|2,0,0]=4 10703 B11R1.25 CC[C@H](C)CSc1cscn1 62a_100000751502_100009816398 [0,1,0,0,1,0|2,0,0]=4 10704 B11R1.25 CC[C@H](C)CSc1cscn1 62a_100009816398_100000751502 [0,1,0,0,1,0|2,0,0]=4 10705 B11R1.25 CC[C@H](C)CSc1ncc[nH]1 62a_100009816398_100025796157 [0,1,0,0,1,0|2,0,0]=4 10706 B11R1.25 CC[C@H](C)CSc1ncc[nH]1 62a_100025796157_100009816398 [0,1,0,0,1,0|2,0,0]=4 10707 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100009816398_100011787736 [0,1,0,0,1,0|2,0,0]=4 10708 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100011787736_100009816398 [0,1,0,0,1,0|2,0,0]=4 10709 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100000211983_100009816398 [0,1,0,0,1,0|2,0,0]=4 10710 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100009816398_100000211983 [0,1,0,0,1,0|2,0,0]=4 10711 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,1,0,0,1,0|2,0,0]=4 10712 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,1,0,0,1,0|2,0,0]=4 10713 B11R1.25 CNC(C)CCn1cccn1 270004a_106832991635_100000697638 [0,1,0,0,1,0|2,0,0]=4 10714 B11R1.27 CCCCCc1cn(nn1)C 274090a_200000210301_100000037682 [0,1,0,0,1,0|2,0,0]=4 10715 B11R1.27 CCCCCc1cn(nn1)[13CH3] 274090a_200025704644_100000037682 [0,1,0,0,1,0|2,0,0]=4 10716 B11R1.27 CCCCCc1nc(no1)C 270196a_100000212224_100000212188 [0,1,0,0,1,0|2,0,0]=4 10717 B11R1.27 CCCCCc1noc(n1)C 270196a_200011207956_100000070787 [0,1,0,0,1,0|2,0,0]=4 10718 B11R1.27 CCCCCc1noc(n1)O 270196a_200011207956_100015183105 [0,1,0,0,1,0|2,0,0]=4 10719 B11R1.27 CCCCCn1cc(nn1)C 274090a_100000210326_200000242740 [0,1,0,0,1,0|2,0,0]=4 10720 B11R1.27 CCCCOc1ccn(n1)C 34a_100012642153_100000210210 [0,1,0,0,1,0|2,0,0]=4 10721 B11R1.27 CCCCSc1c[nH]c(n1)C 62a_100000210211_100009814057 [0,1,0,0,1,0|2,0,0]=4 10722 B11R1.27 CCCCSc1c[nH]c(n1)C 62a_100009814057_100000210210 [0,1,0,0,1,0|2,0,0]=4 10723 B11R1.27 CCCCSc1cc([nH]n1)C 62a_100000210211_100009819999 [0,1,0,0,1,0|2,0,0]=4 10724 B11R1.27 CCCCSc1cc([nH]n1)C 62a_100009819999_100000210210 [0,1,0,0,1,0|2,0,0]=4 10725 B11R1.27 CCCCSc1cc([nH]n1)N 62a_100000210211_100009822546 [0,1,0,0,1,0|2,0,0]=4 10726 B11R1.27 CCCCSc1cc([nH]n1)N 62a_100009822546_100000210210 [0,1,0,0,1,0|2,0,0]=4 10727 B11R1.27 CCCCSc1cc(cs1)C 62a_100000210211_100009876951 [0,1,0,0,1,0|2,0,0]=4 10728 B11R1.27 CCCCSc1cc(cs1)C 62a_100009876951_100000210210 [0,1,0,0,1,0|2,0,0]=4 10729 B11R1.27 CCCCSc1cc(on1)C 62a_100000210211_100000716708 [0,1,0,0,1,0|2,0,0]=4 10730 B11R1.27 CCCCSc1cc(on1)C 62a_100000716708_100000210210 [0,1,0,0,1,0|2,0,0]=4 10731 B11R1.27 CCCCSc1ccc(s1)Br 62a_100000210211_100010197418 [0,1,0,0,1,0|2,0,0]=4 10732 B11R1.27 CCCCSc1ccc(s1)Br 62a_100010197418_100000210210 [0,1,0,0,1,0|2,0,0]=4 10733 B11R1.27 CCCCSc1ccc(s1)C 62a_100000031368_100000210210 [0,1,0,0,1,0|2,0,0]=4 10734 B11R1.27 CCCCSc1ccc(s1)C 62a_100000210211_100000031368 [0,1,0,0,1,0|2,0,0]=4 10735 B11R1.27 CCCCSc1ccn(n1)C 62a_100000210211_100000752436 [0,1,0,0,1,0|2,0,0]=4 10736 B11R1.27 CCCCSc1ccn(n1)C 62a_100000752436_100000210210 [0,1,0,0,1,0|2,0,0]=4 10737 B11R1.27 CCCCSc1cn(cn1)C 62a_100000040308_100000210210 [0,1,0,0,1,0|2,0,0]=4 10738 B11R1.27 CCCCSc1cn(cn1)C 62a_100000210211_100000040308 [0,1,0,0,1,0|2,0,0]=4 10739 B11R1.27 CCCCSc1csc(c1)C 62a_100000210211_100000759034 [0,1,0,0,1,0|2,0,0]=4 10740 B11R1.27 CCCCSc1csc(c1)C 62a_100000759034_100000210210 [0,1,0,0,1,0|2,0,0]=4 10741 B11R1.27 CCCCSc1csc(n1)C 62a_100000210211_100011934587 [0,1,0,0,1,0|2,0,0]=4 10742 B11R1.27 CCCCSc1csc(n1)C 62a_100011934587_100000210210 [0,1,0,0,1,0|2,0,0]=4 10743 B11R1.27 CCCCSc1csc(n1)N 62a_100000210211_100011998049 [0,1,0,0,1,0|2,0,0]=4 10744 B11R1.27 CCCCSc1csc(n1)N 62a_100011998049_100000210210 [0,1,0,0,1,0|2,0,0]=4 10745 B11R1.27 CCCCSc1nc(c[nH]1)C 62a_100000210211_100161115468 [0,1,0,0,1,0|2,0,0]=4 10746 B11R1.27 CCCCSc1nc(c[nH]1)C 62a_100161115468_100000210210 [0,1,0,0,1,0|2,0,0]=4 10747 B11R1.27 CCCCSc1nc(cs1)Br 62a_100000210211_200016082925 [0,1,0,0,1,0|2,0,0]=4 10748 B11R1.27 CCCCSc1nc(cs1)Br 62a_200016082925_100000210210 [0,1,0,0,1,0|2,0,0]=4 10749 B11R1.27 CCCCSc1nc(cs1)C 62a_100000210211_100011291629 [0,1,0,0,1,0|2,0,0]=4 10750 B11R1.27 CCCCSc1nc(cs1)C 62a_100011291629_100000210210 [0,1,0,0,1,0|2,0,0]=4 10751 B11R1.27 CCCCSc1nc(cs1)N 62a_100000210211_200015188442 [0,1,0,0,1,0|2,0,0]=4 10752 B11R1.27 CCCCSc1nc(cs1)N 62a_200015188442_100000210210 [0,1,0,0,1,0|2,0,0]=4 10753 B11R1.27 CCCCSc1ncc(s1)C 62a_100000210211_100000690809 [0,1,0,0,1,0|2,0,0]=4 10754 B11R1.27 CCCCSc1ncc(s1)C 62a_100000690809_100000210210 [0,1,0,0,1,0|2,0,0]=4 10755 B11R1.27 CCCNCc1c[nH]c(n1)C 207a_100020643023_100011219055 [0,1,0,0,1,0|2,0,0]=4 10756 B11R1.27 CCCNCc1cc(c[nH]1)Br 270004a_100020643023_100000720742 [0,1,0,0,1,0|1,0,1]=4 10757 B11R1.27 CCCNCc1cc(co1)Br 270004a_100020643023_100000747035 [0,1,0,0,1,0|2,0,0]=4 10758 B11R1.27 CCCNCc1cc(cs1)Br 207a_100020643023_100000211722 [0,1,0,0,1,0|2,0,0]=4 10759 B11R1.27 CCCNCc1cc(cs1)Br 2230a_100000741024_100000210303 [0,1,0,0,1,0|2,0,0]=4 10760 B11R1.27 CCCNCc1cc(cs1)Br 270004a_100020643023_100000211722 [0,1,0,0,1,0|2,0,0]=4 10761 B11R1.27 CCCNCc1cc(cs1)Br 34a_100000741024_100000210303 [0,1,0,0,1,0|2,0,0]=4 10762 B11R1.27 CCCNCc1cc(cs1)C 207a_100020643023_100102525248 [0,1,0,0,1,0|2,0,0]=4 10763 B11R1.27 CCCNCc1cc(cs1)C 2230a_100015204214_100000210303 [0,1,0,0,1,0|2,0,0]=4 10764 B11R1.27 CCCNCc1cc(cs1)C 270004a_100020643023_100102525248 [0,1,0,0,1,0|2,0,0]=4 10765 B11R1.27 CCCNCc1cc(cs1)C 34a_100015204214_100000210303 [0,1,0,0,1,0|2,0,0]=4 10766 B11R1.27 CCCNCc1cc(cs1)Cl 207a_100020643023_100000102487 [0,1,0,0,1,0|2,0,0]=4 10767 B11R1.27 CCCNCc1cc(cs1)Cl 270004a_100020643023_100000102487 [0,1,0,0,1,0|2,0,0]=4 10768 B11R1.27 CCCNCc1cc(cs1)I 207a_100020643023_100010179861 [0,1,0,0,1,0|2,0,0]=4 10769 B11R1.27 CCCNCc1cc(on1)C 207a_100020643023_100011217994 [0,1,0,0,1,0|2,0,0]=4 10770 B11R1.27 CCCNCc1cc(on1)C 2230a_100000745230_100000210303 [0,1,0,0,1,0|2,0,0]=4 10771 B11R1.27 CCCNCc1cc(on1)C 270004a_100020643023_100011217994 [0,1,0,0,1,0|2,0,0]=4 10772 B11R1.27 CCCNCc1cc(on1)C 34a_100000745230_100000210303 [0,1,0,0,1,0|2,0,0]=4 10773 B11R1.27 CCCNCc1cc(sn1)C 207a_100020643023_200000100279 [0,1,0,0,1,0|2,0,0]=4 10774 B11R1.27 CCCNCc1cc(sn1)C 270004a_100020643023_200000100279 [0,1,0,0,1,0|2,0,0]=4 10775 B11R1.27 CCCNCc1ccc(o1)Br 207a_100020643023_100000185145 [0,1,0,0,1,0|2,0,0]=4 10776 B11R1.27 CCCNCc1ccc(o1)Br 270004a_100020643023_100000185145 [0,1,0,0,1,0|2,0,0]=4 10777 B11R1.27 CCCNCc1ccc(o1)Br 34a_100000708654_100000210303 [0,1,0,0,1,0|2,0,0]=4 10778 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [0,1,0,0,1,0|2,0,0]=4 10779 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [0,1,0,0,1,0|2,0,0]=4 10780 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [0,1,0,0,1,0|2,0,0]=4 10781 B11R1.27 CCCNCc1ccc(o1)Cl 207a_100020643023_100000188459 [0,1,0,0,1,0|2,0,0]=4 10782 B11R1.27 CCCNCc1ccc(o1)Cl 270004a_100020643023_100000188459 [0,1,0,0,1,0|2,0,0]=4 10783 B11R1.27 CCCNCc1ccc(o1)I 207a_100020643023_100000186757 [0,1,0,0,1,0|2,0,0]=4 10784 B11R1.27 CCCNCc1ccc(s1)Br 207a_100020643023_100000179771 [0,1,0,0,1,0|2,0,0]=4 10785 B11R1.27 CCCNCc1ccc(s1)Br 270004a_100020643023_100000179771 [0,1,0,0,1,0|2,0,0]=4 10786 B11R1.27 CCCNCc1ccc(s1)C 207a_100020643023_100000211121 [0,1,0,0,1,0|2,0,0]=4 10787 B11R1.27 CCCNCc1ccc(s1)C 2230a_100000238518_100000210303 [0,1,0,0,1,0|2,0,0]=4 10788 B11R1.27 CCCNCc1ccc(s1)C 270004a_100020643023_100000211121 [0,1,0,0,1,0|2,0,0]=4 10789 B11R1.27 CCCNCc1ccc(s1)Cl 207a_100020643023_100000242774 [0,1,0,0,1,0|2,0,0]=4 10790 B11R1.27 CCCNCc1ccc(s1)Cl 2230a_100000737310_100000210303 [0,1,0,0,1,0|2,0,0]=4 10791 B11R1.27 CCCNCc1ccc(s1)Cl 270004a_100020643023_100000242774 [0,1,0,0,1,0|2,0,0]=4 10792 B11R1.27 CCCNCc1ccn(n1)C 207a_100020643023_100000750880 [0,1,0,0,1,0|2,0,0]=4 10793 B11R1.27 CCCNCc1ccn(n1)C 2230a_100020636201_100000210303 [0,1,0,0,1,0|2,0,0]=4 10794 B11R1.27 CCCNCc1ccn(n1)C 270004a_100020643023_100000750880 [0,1,0,0,1,0|2,0,0]=4 10795 B11R1.27 CCCNCc1ccn(n1)C 34a_100020636201_100000210303 [0,1,0,0,1,0|2,0,0]=4 10796 B11R1.27 CCCNCc1cn(cn1)C 207a_100020643023_100000684808 [0,1,0,0,1,0|2,0,0]=4 10797 B11R1.27 CCCNCc1cn(cn1)C 270004a_100020643023_100000684808 [0,1,0,0,1,0|2,0,0]=4 10798 B11R1.27 CCCNCc1coc(n1)C 207a_100020643023_100011361629 [0,1,0,0,1,0|2,0,0]=4 10799 B11R1.27 CCCNCc1coc(n1)C 270004a_100020643023_100011361629 [0,1,0,0,1,0|2,0,0]=4 10800 B11R1.27 CCCNCc1csc(c1)Br 207a_100020643023_100000737087 [0,1,0,0,1,0|2,0,0]=4 10801 B11R1.27 CCCNCc1csc(c1)Br 270004a_100020643023_100000737087 [0,1,0,0,1,0|2,0,0]=4 10802 B11R1.27 CCCNCc1csc(c1)C 207a_100020643023_100011998532 [0,1,0,0,1,0|2,0,0]=4 10803 B11R1.27 CCCNCc1csc(c1)C 270004a_100020643023_100011998532 [0,1,0,0,1,0|2,0,0]=4 10804 B11R1.27 CCCNCc1csc(c1)Cl 207a_100020643023_100009844934 [0,1,0,0,1,0|2,0,0]=4 10805 B11R1.27 CCCNCc1csc(c1)Cl 270004a_100020643023_100009844934 [0,1,0,0,1,0|2,0,0]=4 10806 B11R1.27 CCCNCc1csc(n1)Br 270004a_100020643023_100009816748 [0,1,0,0,1,0|2,0,0]=4 10807 B11R1.27 CCCNCc1csc(n1)C 207a_100020643023_100000203724 [0,1,0,0,1,0|2,0,0]=4 10808 B11R1.27 CCCNCc1csc(n1)C 270004a_100020643023_100000203724 [0,1,0,0,1,0|2,0,0]=4 10809 B11R1.27 CCCNCc1csc(n1)C 34a_100000707933_100000210303 [0,1,0,0,1,0|2,0,0]=4 10810 B11R1.27 CCCNCc1csc(n1)Cl 270004a_100020643023_100011935135 [0,1,0,0,1,0|2,0,0]=4 10811 B11R1.27 CCCNCc1nc(c[nH]1)C 207a_100020643023_100000082322 [0,1,0,0,1,0|2,0,0]=4 10812 B11R1.27 CCCNCc1nc(c[nH]1)C 270004a_100020643023_100000082322 [0,1,0,0,1,0|2,0,0]=4 10813 B11R1.27 CCCNCc1nc(cs1)Br 270004a_100020643023_100009816814 [0,1,0,0,1,0|2,0,0]=4 10814 B11R1.27 CCCNCc1nc(cs1)C 207a_100020643023_100000756994 [0,1,0,0,1,0|2,0,0]=4 10815 B11R1.27 CCCNCc1nc(cs1)C 2230a_100015183719_100000210303 [0,1,0,0,1,0|2,0,0]=4 10816 B11R1.27 CCCNCc1nc(cs1)C 270004a_100020643023_100000756994 [0,1,0,0,1,0|2,0,0]=4 10817 B11R1.27 CCCNCc1ncc(o1)C 2230a_100138411809_100000210303 [0,1,0,0,1,0|2,0,0]=4 10818 B11R1.27 CCCNCc1ncc(o1)C 34a_100138411809_100000210303 [0,1,0,0,1,0|2,0,0]=4 10819 B11R1.27 CCCNCc1ncc(s1)Br 270004a_100020643023_100000699580 [0,1,0,0,1,0|2,0,0]=4 10820 B11R1.27 CCCNCc1ncc(s1)C 207a_100020643023_100011361622 [0,1,0,0,1,0|2,0,0]=4 10821 B11R1.27 CCCNCc1ncc(s1)C 270004a_100020643023_100011361622 [0,1,0,0,1,0|2,0,0]=4 10822 B11R1.27 CCCNCc1ncc(s1)Cl 270004a_100020643023_100000699884 [0,1,0,0,1,0|2,0,0]=4 10823 B11R1.27 CCCOCc1cc(cs1)Br 34a_100000210258_100000746031 [0,1,0,0,1,0|2,0,0]=4 10824 B11R1.27 CCCOCc1cc(cs1)Br 34a_100000238369_100000210303 [0,1,0,0,1,0|2,0,0]=4 10825 B11R1.27 CCCOCc1cc(cs1)Br 7a_100000238369_100000210303 [0,1,0,0,1,0|2,0,0]=4 10826 B11R1.27 CCCOCc1cc(cs1)C 34a_200000068372_100000210303 [0,1,0,0,1,0|2,0,0]=4 10827 B11R1.27 CCCOCc1cc(cs1)C 7a_200000068372_100000210303 [0,1,0,0,1,0|2,0,0]=4 10828 B11R1.27 CCCOCc1cc(on1)C 34a_100000210258_100000199038 [0,1,0,0,1,0|2,0,0]=4 10829 B11R1.27 CCCOCc1cc(on1)C 34a_100011216401_100000210303 [0,1,0,0,1,0|2,0,0]=4 10830 B11R1.27 CCCOCc1ccc(o1)Br 34a_100000246276_100000210303 [0,1,0,0,1,0|2,0,0]=4 10831 B11R1.27 CCCOCc1ccc(o1)Br 7a_100000246276_100000210303 [0,1,0,0,1,0|2,0,0]=4 10832 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [0,1,0,0,1,0|2,0,0]=4 10833 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [0,1,0,0,1,0|2,0,0]=4 10834 B11R1.27 CCCOCc1ccc(s1)Br 34a_100000210258_100000708592 [0,1,0,0,1,0|2,0,0]=4 10835 B11R1.27 CCCOCc1ccc(s1)C 34a_100000238367_100000210303 [0,1,0,0,1,0|2,0,0]=4 10836 B11R1.27 CCCOCc1ccc(s1)Cl 34a_100000210258_100000185097 [0,1,0,0,1,0|2,0,0]=4 10837 B11R1.27 CCCOCc1ccn(n1)C 34a_100000210258_100000726502 [0,1,0,0,1,0|2,0,0]=4 10838 B11R1.27 CCCOCc1ccn(n1)C 34a_100000744484_100000210303 [0,1,0,0,1,0|2,0,0]=4 10839 B11R1.27 CCCOCc1cn(cn1)C 34a_100000210258_100000717665 [0,1,0,0,1,0|2,0,0]=4 10840 B11R1.27 CCCOCc1cn(cn1)C 34a_100000710007_100000210303 [0,1,0,0,1,0|2,0,0]=4 10841 B11R1.27 CCCOCc1coc(n1)C 34a_100012017233_100000210303 [0,1,0,0,1,0|2,0,0]=4 10842 B11R1.27 CCCOCc1csc(c1)Cl 34a_100009863405_100000210303 [0,1,0,0,1,0|2,0,0]=4 10843 B11R1.27 CCCOCc1csc(c1)Cl 7a_100009863405_100000210303 [0,1,0,0,1,0|2,0,0]=4 10844 B11R1.27 CCCOCc1csc(n1)C 34a_100000210258_100015186478 [0,1,0,0,1,0|2,0,0]=4 10845 B11R1.27 CCCOCc1csc(n1)C 34a_100000735831_100000210303 [0,1,0,0,1,0|2,0,0]=4 10846 B11R1.27 CCCOCc1csc(n1)Cl 34a_100000210258_100000024076 [0,1,0,0,1,0|2,0,0]=4 10847 B11R1.27 CCCOCc1nc(cs1)Br 7a_100012000107_100000210303 [0,1,0,0,1,0|2,0,0]=4 10848 B11R1.27 CCCOCn1cc(cn1)Cl 34a_100000732729_100000210303 [0,1,0,0,1,0|2,0,0]=4 10849 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000210303_100000746031 [0,1,0,0,1,0|2,0,0]=4 10850 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000746031_100000210303 [0,1,0,0,1,0|2,0,0]=4 10851 B11R1.27 CCCSCc1cc(on1)C 62a_100000199038_100000210303 [0,1,0,0,1,0|2,0,0]=4 10852 B11R1.27 CCCSCc1cc(on1)C 62a_100000210303_100000199038 [0,1,0,0,1,0|2,0,0]=4 10853 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000210303_100000708592 [0,1,0,0,1,0|2,0,0]=4 10854 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000708592_100000210303 [0,1,0,0,1,0|2,0,0]=4 10855 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000185097_100000210303 [0,1,0,0,1,0|2,0,0]=4 10856 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000210303_100000185097 [0,1,0,0,1,0|2,0,0]=4 10857 B11R1.27 CCCSCc1ccn(n1)C 62a_100000210303_100000726502 [0,1,0,0,1,0|2,0,0]=4 10858 B11R1.27 CCCSCc1ccn(n1)C 62a_100000726502_100000210303 [0,1,0,0,1,0|2,0,0]=4 10859 B11R1.27 CCCSCc1cn(cn1)C 62a_100000210303_100000717665 [0,1,0,0,1,0|2,0,0]=4 10860 B11R1.27 CCCSCc1cn(cn1)C 62a_100000717665_100000210303 [0,1,0,0,1,0|2,0,0]=4 10861 B11R1.27 CCCSCc1csc(n1)C 62a_100000210303_100015186478 [0,1,0,0,1,0|2,0,0]=4 10862 B11R1.27 CCCSCc1csc(n1)C 62a_100015186478_100000210303 [0,1,0,0,1,0|2,0,0]=4 10863 B11R1.27 CCCSCc1csc(n1)Cl 62a_100000024076_100000210303 [0,1,0,0,1,0|2,0,0]=4 10864 B11R1.27 CCCSCc1csc(n1)Cl 62a_100000210303_100000024076 [0,1,0,0,1,0|2,0,0]=4 10865 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [0,1,0,0,1,0|2,0,0]=4 10866 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [0,1,0,0,1,0|2,0,0]=4 10867 B11R1.27 CCNCCc1ccc(s1)Br 2230a_100000217605_100000210202 [0,1,0,0,1,0|2,0,0]=4 10868 B11R1.27 CCNCCc1csc(n1)C 2230a_100015525214_100000695623 [0,1,0,0,1,0|2,0,0]=4 10869 B11R1.27 CCNCCc1csc(n1)C 2230a_102495365028_100000210202 [0,1,0,0,1,0|2,0,0]=4 10870 B11R1.27 CCNCCc1csc(n1)C 34a_102495365028_100000210202 [0,1,0,0,1,0|2,0,0]=4 10871 B11R1.27 CCNCCc1nc(cs1)C 2230a_100000736835_100000210202 [0,1,0,0,1,0|2,0,0]=4 10872 B11R1.27 CCNCCn1cc(cn1)Br 2230a_100000730845_100000210202 [0,1,0,0,1,0|2,0,0]=4 10873 B11R1.27 CCNCCn1cc(cn1)Br 34a_100000730845_100000210202 [0,1,0,0,1,0|2,0,0]=4 10874 B11R1.27 CCNCCn1cc(cn1)Cl 2230a_100015525214_100011353933 [0,1,0,0,1,0|2,0,0]=4 10875 B11R1.27 CCNCCn1cc(cn1)Cl 34a_200000238484_100000210202 [0,1,0,0,1,0|2,0,0]=4 10876 B11R1.27 CCNCCn1ccc(n1)C 2230a_100015525214_200011934056 [0,1,0,0,1,0|2,0,0]=4 10877 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [0,1,0,0,1,0|2,0,0]=4 10878 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [0,1,0,0,1,0|2,0,0]=4 10879 B11R1.27 CCOCCc1csc(n1)C 34a_100011934828_100000210202 [0,1,0,0,1,0|2,0,0]=4 10880 B11R1.27 CCOCCc1csc(n1)C 34a_100121572206_100000695623 [0,1,0,0,1,0|2,0,0]=4 10881 B11R1.27 CCOCCn1cc(cn1)Br 34a_100011236722_100000210202 [0,1,0,0,1,0|2,0,0]=4 10882 B11R1.27 CCOCCn1cc(cn1)C 34a_100011363705_100000210202 [0,1,0,0,1,0|2,0,0]=4 10883 B11R1.27 CCOCCn1cc(cn1)Cl 34a_100011398116_100000210202 [0,1,0,0,1,0|2,0,0]=4 10884 B11R1.27 CCOCCn1cc(cn1)I 34a_100012072722_100000210202 [0,1,0,0,1,0|2,0,0]=4 10885 B11R1.27 CCOCCn1cc(cn1)N 34a_100000743930_100000210202 [0,1,0,0,1,0|2,0,0]=4 10886 B11R1.27 CCOCCn1ccc(n1)Br 34a_200010732121_100000210202 [0,1,0,0,1,0|2,0,0]=4 10887 B11R1.27 CCOCCn1ccc(n1)N 34a_100000752724_100000210202 [0,1,0,0,1,0|2,0,0]=4 10888 B11R1.27 CCSCCc1csc(n1)C 62a_100000210202_100000695623 [0,1,0,0,1,0|2,0,0]=4 10889 B11R1.27 CCSCCc1csc(n1)C 62a_100000695623_100000210202 [0,1,0,0,1,0|2,0,0]=4 10890 B11R1.27 CCSCCn1cc(cn1)Cl 62a_100000210202_100011353933 [0,1,0,0,1,0|2,0,0]=4 10891 B11R1.27 CCSCCn1cc(cn1)Cl 62a_100011353933_100000210202 [0,1,0,0,1,0|2,0,0]=4 10892 B11R1.27 CCSCCn1ccc(n1)C 62a_100000210202_200011934056 [0,1,0,0,1,0|2,0,0]=4 10893 B11R1.27 CCSCCn1ccc(n1)C 62a_200011934056_100000210202 [0,1,0,0,1,0|2,0,0]=4 10894 B11R1.27 CNCCCc1nc(cs1)C 2230a_100000749783_200000210301 [0,1,0,0,1,0|2,0,0]=4 10895 B11R1.27 CNCCCn1cc(cn1)C 2230a_100000748464_200000210301 [0,1,0,0,1,0|2,0,0]=4 10896 B11R1.27 CNCCCn1cc(cn1)C 2230a_106832991635_200015186932 [0,1,0,0,1,0|2,0,0]=4 10897 B11R1.27 CNCCCn1cc(cn1)C 34a_100000748464_200000210301 [0,1,0,0,1,0|2,0,0]=4 10898 B11R1.27 CNCCCn1cc(cn1)C 7a_106832991635_200015186932 [0,1,0,0,1,0|2,0,0]=4 10899 B11R1.27 CNCCCn1cc(cn1)Cl 34a_100011353932_200000210301 [0,1,0,0,1,0|2,0,0]=4 10900 B11R1.27 COCCCn1cc(cn1)Br 34a_100011398341_200000210301 [0,1,0,0,1,0|2,0,0]=4 10901 B11R1.27 CSCCCn1cc(cn1)C 62a_200000210301_200015186932 [0,1,0,0,1,0|2,0,0]=4 10902 B11R1.27 CSCCCn1cc(cn1)C 62a_200015186932_200000210301 [0,1,0,0,1,0|2,0,0]=4 10903 B11R1.27 Cc1cnn(c1)CCCN[13CH3] 2230a_100000748464_200025704644 [0,1,0,0,1,0|2,0,0]=4 10904 B11R1.27 Cc1cnn(c1)CCCN[13CH3] 34a_100000748464_200025704644 [0,1,0,0,1,0|2,0,0]=4 10905 B11R1.27 Cc1cnn(c1)CCCS[13CH3] 62a_200015186932_200025704644 [0,1,0,0,1,0|2,0,0]=4 10906 B11R1.27 Cc1cnn(c1)CCCS[13CH3] 62a_200025704644_200015186932 [0,1,0,0,1,0|2,0,0]=4 10907 B11R1.27 Cc1csc(n1)CCCN[13CH3] 2230a_100000749783_200025704644 [0,1,0,0,1,0|2,0,0]=4 10908 B11R1.27 [13CH3]NCCCn1cc(cn1)Cl 34a_100011353932_200025704644 [0,1,0,0,1,0|2,0,0]=4 10909 B11R1.27 [13CH3]OCCCn1cc(cn1)Br 34a_100011398341_200025704644 [0,1,0,0,1,0|2,0,0]=4 10910 B11R1.29 CC(CCO[13CH3])n1cccn1 34a_100000090012_200025704644 [0,1,0,0,1,0|2,0,0]=4 10911 B11R1.29 CC(CCO[13CH3])n1cccn1 7a_100000090012_200025704644 [0,1,0,0,1,0|2,0,0]=4 10912 B11R1.29 CCCNC(C)c1cc[nH]c1 269862a_100020643023_100000753940 [0,1,0,0,1,0|2,0,0]=4 10913 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,1,0,0,1,0|1,0,1]=4 10914 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,1,0,0,1,0|2,0,0]=4 10915 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,1,0,0,1,0|2,0,0]=4 10916 B11R1.29 CCCNC(C)c1ccoc1 2230a_100000690049_100000210303 [0,1,0,0,1,0|2,0,0]=4 10917 B11R1.29 CCCNC(C)c1ccsc1 2230a_100000748604_100000210303 [0,1,0,0,1,0|2,0,0]=4 10918 B11R1.29 CCCNC(C)c1ccsc1 269862a_100020643023_100000747891 [0,1,0,0,1,0|2,0,0]=4 10919 B11R1.29 CCCNC(C)c1cscn1 269862a_100020643023_100000693406 [0,1,0,0,1,0|2,0,0]=4 10920 B11R1.29 CCCNC(C)c1ncc[nH]1 269862a_100020643023_100000718901 [0,1,0,0,1,0|2,0,0]=4 10921 B11R1.29 CCCNC(C)c1nccs1 2230a_100000725601_100000210303 [0,1,0,0,1,0|2,0,0]=4 10922 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,1,0,0,1,0|2,0,0]=4 10923 B11R1.29 CCCOC(C)c1ccsc1 34a_100011350980_100000210303 [0,1,0,0,1,0|2,0,0]=4 10924 B11R1.29 CCCOC(C)c1ccsc1 7a_100011350980_100000210303 [0,1,0,0,1,0|2,0,0]=4 10925 B11R1.29 CCCOC(C)c1nccs1 7a_100000751044_100000210303 [0,1,0,0,1,0|2,0,0]=4 10926 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,1,0,0,1,0|2,0,0]=4 10927 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,1,0,0,1,0|2,0,0]=4 10928 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,1,0,0,1,0|2,0,0]=4 10929 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [0,1,0,0,1,0|2,0,0]=4 10930 B11R1.29 CCNCC(O)c1ccsc1 2230a_100000758718_100000210202 [0,1,0,0,1,0|2,0,0]=4 10931 B11R1.29 CCNCC(O)c1ccsc1 34a_100000758718_100000210202 [0,1,0,0,1,0|2,0,0]=4 10932 B11R1.29 CCOCC(C)n1cccn1 34a_100011935049_100000210202 [0,1,0,0,1,0|2,0,0]=4 10933 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [0,1,0,0,1,0|2,0,0]=4 10934 B11R1.29 COCCC(C)n1cccn1 34a_100000090012_200000210301 [0,1,0,0,1,0|2,0,0]=4 10935 B11R1.29 COCCC(C)n1cccn1 7a_100000090012_200000210301 [0,1,0,0,1,0|2,0,0]=4 10936 B11R1.30 CC(CO[13CH3])Cn1cccn1 34a_100011934653_200025704644 [0,1,0,0,1,0|2,0,0]=4 10937 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100000211992_100000707719 [0,1,0,0,1,0|1,0,1]=4 10938 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210303 [0,1,0,0,1,0|1,0,1]=4 10939 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,1,0,0,1,0|0,0,2]=4 10940 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,1,0,0,1,0|1,0,1]=4 10941 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,1,0,0,1,0|1,0,1]=4 10942 B11R1.30 CCCC(=O)Cc1ccoc1 1458a_100000684892_100000210303 [0,1,0,0,1,0|1,0,1]=4 10943 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [0,1,0,0,1,0|1,0,1]=4 10944 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000184062_100000210303 [0,1,0,0,1,0|1,0,1]=4 10945 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000211992_100011233845 [0,1,0,0,1,0|1,0,1]=4 10946 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100000211992_100000205941 [0,1,0,0,1,0|1,0,1]=4 10947 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100011438297_100000210303 [0,1,0,0,1,0|1,0,1]=4 10948 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,1,0,0,1,0|1,0,1]=4 10949 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,1,0,0,1,0|1,0,1]=4 10950 B11R1.30 CCCC(=O)Cn1cccc1 1458a_100011196272_100000210303 [0,1,0,0,1,0|1,0,1]=4 10951 B11R1.30 CCCC(=O)Cn1cccn1 1458a_100000233772_100000210303 [0,1,0,0,1,0|1,0,1]=4 10952 B11R1.30 CCCC(C)Oc1ccsc1 34a_100000106738_100000766640 [0,1,0,0,1,0|2,0,0]=4 10953 B11R1.30 CCCC(C)Oc1ccsc1 7a_100000106738_100000766640 [0,1,0,0,1,0|2,0,0]=4 10954 B11R1.30 CCCC(C)Sc1c[nH]cn1 62a_100000756875_100000766640 [0,1,0,0,1,0|2,0,0]=4 10955 B11R1.30 CCCC(C)Sc1c[nH]cn1 62a_100000766640_100000756875 [0,1,0,0,1,0|2,0,0]=4 10956 B11R1.30 CCCC(C)Sc1cc[nH]n1 62a_100000062575_100000766640 [0,1,0,0,1,0|2,0,0]=4 10957 B11R1.30 CCCC(C)Sc1cc[nH]n1 62a_100000766640_100000062575 [0,1,0,0,1,0|2,0,0]=4 10958 B11R1.30 CCCC(C)Sc1ccco1 62a_100000766640_100009814098 [0,1,0,0,1,0|2,0,0]=4 10959 B11R1.30 CCCC(C)Sc1ccco1 62a_100009814098_100000766640 [0,1,0,0,1,0|2,0,0]=4 10960 B11R1.30 CCCC(C)Sc1cccs1 62a_100000766640_100011215356 [0,1,0,0,1,0|2,0,0]=4 10961 B11R1.30 CCCC(C)Sc1cccs1 62a_100011215356_100000766640 [0,1,0,0,1,0|2,0,0]=4 10962 B11R1.30 CCCC(C)Sc1ccoc1 62a_100000766640_100011215275 [0,1,0,0,1,0|2,0,0]=4 10963 B11R1.30 CCCC(C)Sc1ccoc1 62a_100011215275_100000766640 [0,1,0,0,1,0|2,0,0]=4 10964 B11R1.30 CCCC(C)Sc1ccon1 62a_100000766640_100009818083 [0,1,0,0,1,0|2,0,0]=4 10965 B11R1.30 CCCC(C)Sc1ccon1 62a_100009818083_100000766640 [0,1,0,0,1,0|2,0,0]=4 10966 B11R1.30 CCCC(C)Sc1ccsc1 62a_100000738268_100000766640 [0,1,0,0,1,0|2,0,0]=4 10967 B11R1.30 CCCC(C)Sc1ccsc1 62a_100000766640_100000738268 [0,1,0,0,1,0|2,0,0]=4 10968 B11R1.30 CCCC(C)Sc1ccsn1 62a_100000766640_100009818082 [0,1,0,0,1,0|2,0,0]=4 10969 B11R1.30 CCCC(C)Sc1ccsn1 62a_100009818082_100000766640 [0,1,0,0,1,0|2,0,0]=4 10970 B11R1.30 CCCC(C)Sc1cscn1 62a_100000751502_100000766640 [0,1,0,0,1,0|2,0,0]=4 10971 B11R1.30 CCCC(C)Sc1cscn1 62a_100000766640_100000751502 [0,1,0,0,1,0|2,0,0]=4 10972 B11R1.30 CCCC(C)Sc1ncc[nH]1 62a_100000766640_100025796157 [0,1,0,0,1,0|2,0,0]=4 10973 B11R1.30 CCCC(C)Sc1ncc[nH]1 62a_100025796157_100000766640 [0,1,0,0,1,0|2,0,0]=4 10974 B11R1.30 CCCC(C)Sc1ncco1 62a_100000766640_100011787736 [0,1,0,0,1,0|2,0,0]=4 10975 B11R1.30 CCCC(C)Sc1ncco1 62a_100011787736_100000766640 [0,1,0,0,1,0|2,0,0]=4 10976 B11R1.30 CCCC(C)Sc1nccs1 62a_100000211983_100000766640 [0,1,0,0,1,0|2,0,0]=4 10977 B11R1.30 CCCC(C)Sc1nccs1 62a_100000766640_100000211983 [0,1,0,0,1,0|2,0,0]=4 10978 B11R1.30 CCCN(C)Cc1c[nH]cn1 2230a_100000747261_100000707719 [0,1,0,0,1,0|2,0,0]=4 10979 B11R1.30 CCCN(C)Cc1c[nH]cn1 269982a_100000747261_100000707719 [0,1,0,0,1,0|2,0,0]=4 10980 B11R1.30 CCCN(C)Cc1cc[nH]n1 270004a_100000747261_100000738523 [0,1,0,0,1,0|2,0,0]=4 10981 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [0,1,0,0,1,0|2,0,0]=4 10982 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [0,1,0,0,1,0|2,0,0]=4 10983 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [0,1,0,0,1,0|2,0,0]=4 10984 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [0,1,0,0,1,0|2,0,0]=4 10985 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [0,1,0,0,1,0|2,0,0]=4 10986 B11R1.30 CCCN(C)Cc1cccs1 2230a_100000184426_100000210303 [0,1,0,0,1,0|2,0,0]=4 10987 B11R1.30 CCCN(C)Cc1cccs1 2230a_200000186944_200000210301 [0,1,0,0,1,0|2,0,0]=4 10988 B11R1.30 CCCN(C)Cc1cccs1 269982a_100000184426_100000210303 [0,1,0,0,1,0|2,0,0]=4 10989 B11R1.30 CCCN(C)Cc1cccs1 269982a_200000186944_200000210301 [0,1,0,0,1,0|2,0,0]=4 10990 B11R1.30 CCCN(C)Cc1cccs1 270004a_100000747261_100000209959 [0,1,0,0,1,0|2,0,0]=4 10991 B11R1.30 CCCN(C)Cc1ccoc1 270004a_100000747261_100011215517 [0,1,0,0,1,0|2,0,0]=4 10992 B11R1.30 CCCN(C)Cc1ccon1 2230a_100000747261_100000234950 [0,1,0,0,1,0|2,0,0]=4 10993 B11R1.30 CCCN(C)Cc1ccon1 2230a_100000757864_100000210303 [0,1,0,0,1,0|2,0,0]=4 10994 B11R1.30 CCCN(C)Cc1ccon1 269982a_100000747261_100000234950 [0,1,0,0,1,0|2,0,0]=4 10995 B11R1.30 CCCN(C)Cc1ccon1 269982a_100000757864_100000210303 [0,1,0,0,1,0|2,0,0]=4 10996 B11R1.30 CCCN(C)Cc1ccsc1 2230a_100000747261_100011261437 [0,1,0,0,1,0|2,0,0]=4 10997 B11R1.30 CCCN(C)Cc1ccsc1 2230a_100020654213_100000210303 [0,1,0,0,1,0|2,0,0]=4 10998 B11R1.30 CCCN(C)Cc1ccsc1 2230a_200015183331_200000210301 [0,1,0,0,1,0|2,0,0]=4 10999 B11R1.30 CCCN(C)Cc1ccsc1 269982a_100000747261_100011233845 [0,1,0,0,1,0|2,0,0]=4 11000 B11R1.30 CCCN(C)Cc1ccsc1 269982a_100020654213_100000210303 [0,1,0,0,1,0|2,0,0]=4 11001 B11R1.30 CCCN(C)Cc1ccsc1 269982a_200015183331_200000210301 [0,1,0,0,1,0|2,0,0]=4 11002 B11R1.30 CCCN(C)Cc1ccsc1 270004a_100000747261_100000188534 [0,1,0,0,1,0|2,0,0]=4 11003 B11R1.30 CCCN(C)Cc1cocn1 270004a_100000747261_100000050382 [0,1,0,0,1,0|2,0,0]=4 11004 B11R1.30 CCCN(C)Cc1cscn1 2230a_100000225794_100000210303 [0,1,0,0,1,0|2,0,0]=4 11005 B11R1.30 CCCN(C)Cc1cscn1 2230a_100000747261_100000205941 [0,1,0,0,1,0|2,0,0]=4 11006 B11R1.30 CCCN(C)Cc1cscn1 269982a_100000225794_100000210303 [0,1,0,0,1,0|2,0,0]=4 11007 B11R1.30 CCCN(C)Cc1cscn1 269982a_100000747261_100000205941 [0,1,0,0,1,0|2,0,0]=4 11008 B11R1.30 CCCN(C)Cc1cscn1 270004a_100000747261_100000743575 [0,1,0,0,1,0|2,0,0]=4 11009 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100000747261_100016991755 [0,1,0,0,1,0|2,0,0]=4 11010 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210303 [0,1,0,0,1,0|2,0,0]=4 11011 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100000747261_100016991755 [0,1,0,0,1,0|2,0,0]=4 11012 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100015184136_100000210303 [0,1,0,0,1,0|2,0,0]=4 11013 B11R1.30 CCCN(C)Cc1ncco1 2230a_100000747261_103436540062 [0,1,0,0,1,0|2,0,0]=4 11014 B11R1.30 CCCN(C)Cc1ncco1 269982a_100000747261_103436540062 [0,1,0,0,1,0|2,0,0]=4 11015 B11R1.30 CCCN(C)Cc1ncco1 270004a_100000747261_100000064290 [0,1,0,0,1,0|2,0,0]=4 11016 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000747261_100015184050 [0,1,0,0,1,0|2,0,0]=4 11017 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000765864_100000210303 [0,1,0,0,1,0|2,0,0]=4 11018 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000747261_100015184050 [0,1,0,0,1,0|2,0,0]=4 11019 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000765864_100000210303 [0,1,0,0,1,0|2,0,0]=4 11020 B11R1.30 CCCN(C)Cc1nccs1 270004a_100000747261_100000750902 [0,1,0,0,1,0|2,0,0]=4 11021 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [0,1,0,0,1,0|2,0,0]=4 11022 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [0,1,0,0,1,0|2,0,0]=4 11023 B11R1.30 CCCN([13CH3])Cc1cccs1 2230a_200000186944_200025704644 [0,1,0,0,1,0|2,0,0]=4 11024 B11R1.30 CCCN([13CH3])Cc1cccs1 269982a_200000186944_200025704644 [0,1,0,0,1,0|2,0,0]=4 11025 B11R1.30 CCCN([13CH3])Cc1ccsc1 2230a_200015183331_200025704644 [0,1,0,0,1,0|2,0,0]=4 11026 B11R1.30 CCCN([13CH3])Cc1ccsc1 269982a_200015183331_200025704644 [0,1,0,0,1,0|2,0,0]=4 11027 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,1,0,0,1,0|2,0,0]=4 11028 B11R1.30 CCNC(C)Cc1cccs1 2230a_100000751415_100000210202 [0,1,0,0,1,0|2,0,0]=4 11029 B11R1.30 CCNC(C)Cc1ccsc1 2230a_100000743546_100000210202 [0,1,0,0,1,0|2,0,0]=4 11030 B11R1.30 CCNC(C)Cc1ccsc1 34a_100000743546_100000210202 [0,1,0,0,1,0|2,0,0]=4 11031 B11R1.30 CCNC(C)Cn1cccn1 2230a_100000738251_100000210202 [0,1,0,0,1,0|2,0,0]=4 11032 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,1,0,0,1,0|2,0,0]=4 11033 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,1,0,0,1,0|2,0,0]=4 11034 B11R1.30 COCC(C)Cn1cccn1 34a_100011934653_200000210301 [0,1,0,0,1,0|2,0,0]=4 11035 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,1,0,0,1,0|1,0,1]=4 11036 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,1,0,0,1,0|1,0,1]=4 11037 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,1,0,0,1,0|1,0,1]=4 11038 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,1,0,0,1,0|1,0,1]=4 11039 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,1,0,0,1,0|1,0,1]=4 11040 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,1,0,0,1,0|1,0,1]=4 11041 B11R1.172 CC(Br)COCc1c[nH]cn1 34a_100012180447_100000707719 [0,1,0,0,1,0|2,0,0]=4 11042 B11R1.172 CC(Br)COCc1ccon1 34a_100012180447_100000234950 [0,1,0,0,1,0|2,0,0]=4 11043 B11R1.172 CC(Br)COCc1ccsc1 34a_100012180447_100011261437 [0,1,0,0,1,0|2,0,0]=4 11044 B11R1.172 CC(Br)COCc1cscn1 34a_100012180447_100000205941 [0,1,0,0,1,0|2,0,0]=4 11045 B11R1.172 CC(Br)COCc1ncc[nH]1 34a_100012180447_100016991755 [0,1,0,0,1,0|2,0,0]=4 11046 B11R1.172 CC(Br)COCc1ncco1 34a_100012180447_103436540062 [0,1,0,0,1,0|2,0,0]=4 11047 B11R1.172 CC(Br)COCc1nccs1 34a_100012180447_100015184050 [0,1,0,0,1,0|2,0,0]=4 11048 B11R1.172 CC(C)CCOc1ccsc1 34a_100000106738_100000210312 [0,1,0,0,1,0|2,0,0]=4 11049 B11R1.172 CC(C)CCOc1ccsc1 7a_100000106738_100000210626 [0,1,0,0,1,0|2,0,0]=4 11050 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000210312_100000756875 [0,1,0,0,1,0|2,0,0]=4 11051 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000756875_100000210312 [0,1,0,0,1,0|2,0,0]=4 11052 B11R1.172 CC(C)CCSc1cc[nH]n1 62a_100000062575_100000210312 [0,1,0,0,1,0|2,0,0]=4 11053 B11R1.172 CC(C)CCSc1cc[nH]n1 62a_100000210312_100000062575 [0,1,0,0,1,0|2,0,0]=4 11054 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,1,0,0,1,0|2,0,0]=4 11055 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,1,0,0,1,0|2,0,0]=4 11056 B11R1.172 CC(C)CCSc1cccs1 62a_100000210312_100011215356 [0,1,0,0,1,0|2,0,0]=4 11057 B11R1.172 CC(C)CCSc1cccs1 62a_100011215356_100000210312 [0,1,0,0,1,0|2,0,0]=4 11058 B11R1.172 CC(C)CCSc1ccoc1 62a_100000210312_100011215275 [0,1,0,0,1,0|2,0,0]=4 11059 B11R1.172 CC(C)CCSc1ccoc1 62a_100011215275_100000210312 [0,1,0,0,1,0|2,0,0]=4 11060 B11R1.172 CC(C)CCSc1ccon1 62a_100000210312_100009818083 [0,1,0,0,1,0|2,0,0]=4 11061 B11R1.172 CC(C)CCSc1ccon1 62a_100009818083_100000210312 [0,1,0,0,1,0|2,0,0]=4 11062 B11R1.172 CC(C)CCSc1ccsc1 62a_100000210312_100000738268 [0,1,0,0,1,0|2,0,0]=4 11063 B11R1.172 CC(C)CCSc1ccsc1 62a_100000738268_100000210312 [0,1,0,0,1,0|2,0,0]=4 11064 B11R1.172 CC(C)CCSc1ccsn1 62a_100000210312_100009818082 [0,1,0,0,1,0|2,0,0]=4 11065 B11R1.172 CC(C)CCSc1ccsn1 62a_100009818082_100000210312 [0,1,0,0,1,0|2,0,0]=4 11066 B11R1.172 CC(C)CCSc1cscn1 62a_100000210312_100000751502 [0,1,0,0,1,0|2,0,0]=4 11067 B11R1.172 CC(C)CCSc1cscn1 62a_100000751502_100000210312 [0,1,0,0,1,0|2,0,0]=4 11068 B11R1.172 CC(C)CCSc1ncc[nH]1 62a_100000210312_100025796157 [0,1,0,0,1,0|2,0,0]=4 11069 B11R1.172 CC(C)CCSc1ncc[nH]1 62a_100025796157_100000210312 [0,1,0,0,1,0|2,0,0]=4 11070 B11R1.172 CC(C)CCSc1ncco1 62a_100000210312_100011787736 [0,1,0,0,1,0|2,0,0]=4 11071 B11R1.172 CC(C)CCSc1ncco1 62a_100011787736_100000210312 [0,1,0,0,1,0|2,0,0]=4 11072 B11R1.172 CC(C)CCSc1nccs1 62a_100000210312_100000211983 [0,1,0,0,1,0|2,0,0]=4 11073 B11R1.172 CC(C)CCSc1nccs1 62a_100000211983_100000210312 [0,1,0,0,1,0|2,0,0]=4 11074 B11R1.172 CC(C)CNCc1c[nH]cn1 2230a_100000210953_100000707719 [0,1,0,0,1,0|2,0,0]=4 11075 B11R1.172 CC(C)CNCc1c[nH]cn1 34a_100000210953_100000707719 [0,1,0,0,1,0|2,0,0]=4 11076 B11R1.172 CC(C)CNCc1cc[nH]n1 207a_100000210953_100000738523 [0,1,0,0,1,0|2,0,0]=4 11077 B11R1.172 CC(C)CNCc1cc[nH]n1 270004a_100000210953_100000738523 [0,1,0,0,1,0|2,0,0]=4 11078 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,1,0,0,1,0|2,0,0]=4 11079 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,1,0,0,1,0|2,0,0]=4 11080 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,1,0,0,1,0|2,0,0]=4 11081 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,1,0,0,1,0|2,0,0]=4 11082 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,1,0,0,1,0|2,0,0]=4 11083 B11R1.172 CC(C)CNCc1cccs1 207a_100000210953_100000209959 [0,1,0,0,1,0|2,0,0]=4 11084 B11R1.172 CC(C)CNCc1cccs1 2230a_100000211653_100000210760 [0,1,0,0,1,0|2,0,0]=4 11085 B11R1.172 CC(C)CNCc1cccs1 270004a_100000210953_100000209959 [0,1,0,0,1,0|2,0,0]=4 11086 B11R1.172 CC(C)CNCc1cccs1 270004a_100000211653_100000210432 [0,1,0,0,1,0|2,0,0]=4 11087 B11R1.172 CC(C)CNCc1ccoc1 207a_100000210953_100011215517 [0,1,0,0,1,0|2,0,0]=4 11088 B11R1.172 CC(C)CNCc1ccoc1 2230a_100015206860_100000210760 [0,1,0,0,1,0|2,0,0]=4 11089 B11R1.172 CC(C)CNCc1ccoc1 270004a_100000210953_100011215517 [0,1,0,0,1,0|2,0,0]=4 11090 B11R1.172 CC(C)CNCc1ccoc1 270004a_100015206860_100000210432 [0,1,0,0,1,0|2,0,0]=4 11091 B11R1.172 CC(C)CNCc1ccoc1 34a_100015206860_100000210624 [0,1,0,0,1,0|2,0,0]=4 11092 B11R1.172 CC(C)CNCc1ccon1 2230a_100000210953_100000234950 [0,1,0,0,1,0|2,0,0]=4 11093 B11R1.172 CC(C)CNCc1ccon1 270004a_100000688301_100000210432 [0,1,0,0,1,0|2,0,0]=4 11094 B11R1.172 CC(C)CNCc1ccon1 34a_100000210953_100000234950 [0,1,0,0,1,0|2,0,0]=4 11095 B11R1.172 CC(C)CNCc1ccsc1 207a_100000210953_100000188534 [0,1,0,0,1,0|2,0,0]=4 11096 B11R1.172 CC(C)CNCc1ccsc1 2230a_100000186416_100000210760 [0,1,0,0,1,0|2,0,0]=4 11097 B11R1.172 CC(C)CNCc1ccsc1 2230a_100000210953_100011261437 [0,1,0,0,1,0|2,0,0]=4 11098 B11R1.172 CC(C)CNCc1ccsc1 270004a_100000186416_100000210432 [0,1,0,0,1,0|2,0,0]=4 11099 B11R1.172 CC(C)CNCc1ccsc1 270004a_100000210953_100000188534 [0,1,0,0,1,0|2,0,0]=4 11100 B11R1.172 CC(C)CNCc1ccsc1 34a_100000186416_100000210624 [0,1,0,0,1,0|2,0,0]=4 11101 B11R1.172 CC(C)CNCc1ccsc1 34a_100000210953_100011261437 [0,1,0,0,1,0|2,0,0]=4 11102 B11R1.172 CC(C)CNCc1cocn1 270004a_100000210953_100000050382 [0,1,0,0,1,0|2,0,0]=4 11103 B11R1.172 CC(C)CNCc1cocn1 270004a_100015188801_100000210432 [0,1,0,0,1,0|2,0,0]=4 11104 B11R1.172 CC(C)CNCc1cscn1 207a_100000210953_100000743575 [0,1,0,0,1,0|2,0,0]=4 11105 B11R1.172 CC(C)CNCc1cscn1 2230a_100000210953_100000205941 [0,1,0,0,1,0|2,0,0]=4 11106 B11R1.172 CC(C)CNCc1cscn1 2230a_100015185402_100000210760 [0,1,0,0,1,0|2,0,0]=4 11107 B11R1.172 CC(C)CNCc1cscn1 270004a_100000210953_100000743575 [0,1,0,0,1,0|2,0,0]=4 11108 B11R1.172 CC(C)CNCc1cscn1 34a_100000210953_100000205941 [0,1,0,0,1,0|2,0,0]=4 11109 B11R1.172 CC(C)CNCc1ncc[nH]1 207a_100000210953_100000743867 [0,1,0,0,1,0|2,0,0]=4 11110 B11R1.172 CC(C)CNCc1ncc[nH]1 2230a_100000210953_100016991755 [0,1,0,0,1,0|2,0,0]=4 11111 B11R1.172 CC(C)CNCc1ncc[nH]1 270004a_100000754540_100000210432 [0,1,0,0,1,0|2,0,0]=4 11112 B11R1.172 CC(C)CNCc1ncc[nH]1 34a_100000210953_100016991755 [0,1,0,0,1,0|2,0,0]=4 11113 B11R1.172 CC(C)CNCc1ncco1 2230a_100000210953_103436540062 [0,1,0,0,1,0|2,0,0]=4 11114 B11R1.172 CC(C)CNCc1ncco1 2230a_100016994969_100000210760 [0,1,0,0,1,0|2,0,0]=4 11115 B11R1.172 CC(C)CNCc1ncco1 270004a_100000210953_100000064290 [0,1,0,0,1,0|2,0,0]=4 11116 B11R1.172 CC(C)CNCc1ncco1 34a_100000210953_103436540062 [0,1,0,0,1,0|2,0,0]=4 11117 B11R1.172 CC(C)CNCc1nccs1 207a_100000210953_100000750902 [0,1,0,0,1,0|2,0,0]=4 11118 B11R1.172 CC(C)CNCc1nccs1 2230a_100000210953_100015184050 [0,1,0,0,1,0|2,0,0]=4 11119 B11R1.172 CC(C)CNCc1nccs1 2230a_100000740555_100000210760 [0,1,0,0,1,0|2,0,0]=4 11120 B11R1.172 CC(C)CNCc1nccs1 270004a_100000210953_100000750902 [0,1,0,0,1,0|2,0,0]=4 11121 B11R1.172 CC(C)CNCc1nccs1 270004a_100000740555_100000210432 [0,1,0,0,1,0|2,0,0]=4 11122 B11R1.172 CC(C)CNCc1nccs1 34a_100000210953_100015184050 [0,1,0,0,1,0|2,0,0]=4 11123 B11R1.172 CC(C)COCc1c[nH]cn1 34a_100000210257_100000707719 [0,1,0,0,1,0|2,0,0]=4 11124 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,1,0,0,1,0|2,0,0]=4 11125 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,1,0,0,1,0|2,0,0]=4 11126 B11R1.172 CC(C)COCc1ccoc1 34a_100011215357_100000210624 [0,1,0,0,1,0|2,0,0]=4 11127 B11R1.172 CC(C)COCc1ccon1 34a_100000210257_100000234950 [0,1,0,0,1,0|2,0,0]=4 11128 B11R1.172 CC(C)COCc1ccsc1 34a_100000210257_100011261437 [0,1,0,0,1,0|2,0,0]=4 11129 B11R1.172 CC(C)COCc1ccsc1 34a_100011215551_100000210624 [0,1,0,0,1,0|2,0,0]=4 11130 B11R1.172 CC(C)COCc1cscn1 34a_100000210257_100000205941 [0,1,0,0,1,0|2,0,0]=4 11131 B11R1.172 CC(C)COCc1ncc[nH]1 34a_100000210257_100016991755 [0,1,0,0,1,0|2,0,0]=4 11132 B11R1.172 CC(C)COCc1ncco1 34a_100000062594_100000210624 [0,1,0,0,1,0|2,0,0]=4 11133 B11R1.172 CC(C)COCc1ncco1 34a_100000210257_103436540062 [0,1,0,0,1,0|2,0,0]=4 11134 B11R1.172 CC(C)COCc1nccs1 34a_100000210257_100015184050 [0,1,0,0,1,0|2,0,0]=4 11135 B11R1.172 CC(C)COCn1cccn1 34a_100000731028_100000210624 [0,1,0,0,1,0|2,0,0]=4 11136 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000210624_100000707719 [0,1,0,0,1,0|2,0,0]=4 11137 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000707719_100000210760 [0,1,0,0,1,0|2,0,0]=4 11138 B11R1.172 CC(C)CSCc1ccon1 62a_100000210624_100000234950 [0,1,0,0,1,0|2,0,0]=4 11139 B11R1.172 CC(C)CSCc1ccon1 62a_100000234950_100000210760 [0,1,0,0,1,0|2,0,0]=4 11140 B11R1.172 CC(C)CSCc1ccsc1 62a_100000210624_100011233845 [0,1,0,0,1,0|2,0,0]=4 11141 B11R1.172 CC(C)CSCc1ccsc1 62a_100011261437_100000210760 [0,1,0,0,1,0|2,0,0]=4 11142 B11R1.172 CC(C)CSCc1cscn1 62a_100000205941_100000210760 [0,1,0,0,1,0|2,0,0]=4 11143 B11R1.172 CC(C)CSCc1cscn1 62a_100000210624_100000205941 [0,1,0,0,1,0|2,0,0]=4 11144 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100000210624_100016991755 [0,1,0,0,1,0|2,0,0]=4 11145 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100016991755_100000210760 [0,1,0,0,1,0|2,0,0]=4 11146 B11R1.172 CC(C)CSCc1ncco1 62a_100000210624_103436540062 [0,1,0,0,1,0|2,0,0]=4 11147 B11R1.172 CC(C)CSCc1ncco1 62a_103436540062_100000210760 [0,1,0,0,1,0|2,0,0]=4 11148 B11R1.172 CC(C)CSCc1nccs1 62a_100000210624_100015184050 [0,1,0,0,1,0|2,0,0]=4 11149 B11R1.172 CC(C)CSCc1nccs1 62a_100015184050_100000210760 [0,1,0,0,1,0|2,0,0]=4 11150 B11R1.172 CC(C)NCCc1c[nH]cn1 2230a_100138425928_100020628418 [0,1,0,0,1,0|2,0,0]=4 11151 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,1,0,0,1,0|2,0,0]=4 11152 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,1,0,0,1,0|2,0,0]=4 11153 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,1,0,0,1,0|2,0,0]=4 11154 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,1,0,0,1,0|2,0,0]=4 11155 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,1,0,0,1,0|2,0,0]=4 11156 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,1,0,0,1,0|2,0,0]=4 11157 B11R1.172 CC(C)NCCc1ccsc1 2230a_100000692642_100000210206 [0,1,0,0,1,0|2,0,0]=4 11158 B11R1.172 CC(C)NCCc1ccsc1 34a_100000692642_100000210206 [0,1,0,0,1,0|2,0,0]=4 11159 B11R1.172 CC(C)NCCc1nccs1 2230a_100015186391_100000210206 [0,1,0,0,1,0|2,0,0]=4 11160 B11R1.172 CC(C)NCCn1cccc1 2230a_100138425928_200009811947 [0,1,0,0,1,0|2,0,0]=4 11161 B11R1.172 CC(C)NCCn1cccc1 34a_100011368172_100000210206 [0,1,0,0,1,0|2,0,0]=4 11162 B11R1.172 CC(C)NCCn1cccn1 2230a_100011200920_100000210206 [0,1,0,0,1,0|2,0,0]=4 11163 B11R1.172 CC(C)NCCn1cccn1 2230a_100138425928_100000685285 [0,1,0,0,1,0|2,0,0]=4 11164 B11R1.172 CC(C)NCCn1cccn1 34a_100138425928_100015204718 [0,1,0,0,1,0|2,0,0]=4 11165 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,1,0,0,1,0|2,0,0]=4 11166 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,1,0,0,1,0|2,0,0]=4 11167 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,1,0,0,1,0|2,0,0]=4 11168 B11R1.172 CC(C)OCCc1ccsc1 34a_100000748821_100000210206 [0,1,0,0,1,0|2,0,0]=4 11169 B11R1.172 CC(C)OCCc1ncc[nH]1 34a_103549771195_100000210206 [0,1,0,0,1,0|2,0,0]=4 11170 B11R1.172 CC(C)OCCn1cccc1 34a_100000179382_100000210206 [0,1,0,0,1,0|2,0,0]=4 11171 B11R1.172 CC(C)OCCn1cccn1 34a_100000212225_100015204718 [0,1,0,0,1,0|2,0,0]=4 11172 B11R1.172 CC(C)OCCn1cccn1 34a_100000743371_100000210206 [0,1,0,0,1,0|2,0,0]=4 11173 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100000210206_100020628418 [0,1,0,0,1,0|2,0,0]=4 11174 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100020628418_100000210206 [0,1,0,0,1,0|2,0,0]=4 11175 B11R1.172 CC(C)SCCc1cccs1 62a_100000210206_100000748579 [0,1,0,0,1,0|2,0,0]=4 11176 B11R1.172 CC(C)SCCc1cccs1 62a_100000748579_100000210206 [0,1,0,0,1,0|2,0,0]=4 11177 B11R1.172 CC(C)SCCn1cccc1 62a_100000210206_200000035178 [0,1,0,0,1,0|2,0,0]=4 11178 B11R1.172 CC(C)SCCn1cccc1 62a_200009811947_100000210206 [0,1,0,0,1,0|2,0,0]=4 11179 B11R1.172 CC(C)SCCn1cccn1 62a_100000210206_100000685285 [0,1,0,0,1,0|2,0,0]=4 11180 B11R1.172 CC(C)SCCn1cccn1 62a_100015204718_100000210206 [0,1,0,0,1,0|2,0,0]=4 11181 B11R1.172 CC(F)COCc1c[nH]cn1 34a_100015925927_100000707719 [0,1,0,0,1,0|2,0,0]=4 11182 B11R1.172 CC(F)COCc1ccon1 34a_100015925927_100000234950 [0,1,0,0,1,0|2,0,0]=4 11183 B11R1.172 CC(F)COCc1ccsc1 34a_100015925927_100011261437 [0,1,0,0,1,0|2,0,0]=4 11184 B11R1.172 CC(F)COCc1cscn1 34a_100015925927_100000205941 [0,1,0,0,1,0|2,0,0]=4 11185 B11R1.172 CC(F)COCc1ncc[nH]1 34a_100015925927_100016991755 [0,1,0,0,1,0|2,0,0]=4 11186 B11R1.172 CC(F)COCc1ncco1 34a_100015925927_103436540062 [0,1,0,0,1,0|2,0,0]=4 11187 B11R1.172 CC(F)COCc1nccs1 34a_100015925927_100015184050 [0,1,0,0,1,0|2,0,0]=4 11188 B11R1.172 CC(O)CCOc1ccsc1 34a_100000106738_100012276601 [0,1,0,0,1,0|2,0,0]=4 11189 B11R1.172 CC(O)CCOc1ccsc1 7a_100000106738_100012276601 [0,1,0,0,1,0|2,0,0]=4 11190 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100000756875_100012276601 [0,1,0,0,1,0|2,0,0]=4 11191 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100012276601_100000756875 [0,1,0,0,1,0|2,0,0]=4 11192 B11R1.172 CC(O)CCSc1cc[nH]n1 62a_100000062575_100012276601 [0,1,0,0,1,0|2,0,0]=4 11193 B11R1.172 CC(O)CCSc1cc[nH]n1 62a_100012276601_100000062575 [0,1,0,0,1,0|2,0,0]=4 11194 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,1,0,0,1,0|2,0,0]=4 11195 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,1,0,0,1,0|2,0,0]=4 11196 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [0,1,0,0,1,0|2,0,0]=4 11197 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [0,1,0,0,1,0|2,0,0]=4 11198 B11R1.172 CC(O)CCSc1ccoc1 62a_100011215275_100012276601 [0,1,0,0,1,0|2,0,0]=4 11199 B11R1.172 CC(O)CCSc1ccoc1 62a_100012276601_100011215275 [0,1,0,0,1,0|2,0,0]=4 11200 B11R1.172 CC(O)CCSc1ccon1 62a_100009818083_100012276601 [0,1,0,0,1,0|2,0,0]=4 11201 B11R1.172 CC(O)CCSc1ccon1 62a_100012276601_100009818083 [0,1,0,0,1,0|2,0,0]=4 11202 B11R1.172 CC(O)CCSc1ccsc1 62a_100000738268_100012276601 [0,1,0,0,1,0|2,0,0]=4 11203 B11R1.172 CC(O)CCSc1ccsc1 62a_100012276601_100000738268 [0,1,0,0,1,0|2,0,0]=4 11204 B11R1.172 CC(O)CCSc1ccsn1 62a_100009818082_100012276601 [0,1,0,0,1,0|2,0,0]=4 11205 B11R1.172 CC(O)CCSc1ccsn1 62a_100012276601_100009818082 [0,1,0,0,1,0|2,0,0]=4 11206 B11R1.172 CC(O)CCSc1cscn1 62a_100000751502_100012276601 [0,1,0,0,1,0|2,0,0]=4 11207 B11R1.172 CC(O)CCSc1cscn1 62a_100012276601_100000751502 [0,1,0,0,1,0|2,0,0]=4 11208 B11R1.172 CC(O)CCSc1ncc[nH]1 62a_100012276601_100025796157 [0,1,0,0,1,0|2,0,0]=4 11209 B11R1.172 CC(O)CCSc1ncc[nH]1 62a_100025796157_100012276601 [0,1,0,0,1,0|2,0,0]=4 11210 B11R1.172 CC(O)CCSc1ncco1 62a_100011787736_100012276601 [0,1,0,0,1,0|2,0,0]=4 11211 B11R1.172 CC(O)CCSc1ncco1 62a_100012276601_100011787736 [0,1,0,0,1,0|2,0,0]=4 11212 B11R1.172 CC(O)CCSc1nccs1 62a_100000211983_100012276601 [0,1,0,0,1,0|2,0,0]=4 11213 B11R1.172 CC(O)CCSc1nccs1 62a_100012276601_100000211983 [0,1,0,0,1,0|2,0,0]=4 11214 B11R1.172 CC(O)CNCc1c[nH]cn1 2230a_100000210904_100000707719 [0,1,0,0,1,0|2,0,0]=4 11215 B11R1.172 CC(O)CNCc1c[nH]cn1 34a_100000210904_100000707719 [0,1,0,0,1,0|2,0,0]=4 11216 B11R1.172 CC(O)CNCc1cc[nH]n1 207a_100000210904_100000738523 [0,1,0,0,1,0|2,0,0]=4 11217 B11R1.172 CC(O)CNCc1cc[nH]n1 270004a_100000210904_100000738523 [0,1,0,0,1,0|2,0,0]=4 11218 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,1,0,0,1,0|2,0,0]=4 11219 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,1,0,0,1,0|2,0,0]=4 11220 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,1,0,0,1,0|2,0,0]=4 11221 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,1,0,0,1,0|2,0,0]=4 11222 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,1,0,0,1,0|2,0,0]=4 11223 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,1,0,0,1,0|2,0,0]=4 11224 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,1,0,0,1,0|2,0,0]=4 11225 B11R1.172 CC(O)CNCc1ccoc1 207a_100000210904_100011215517 [0,1,0,0,1,0|2,0,0]=4 11226 B11R1.172 CC(O)CNCc1ccoc1 2230a_100015206860_100011218427 [0,1,0,0,1,0|2,0,0]=4 11227 B11R1.172 CC(O)CNCc1ccoc1 270004a_100000210904_100011215517 [0,1,0,0,1,0|2,0,0]=4 11228 B11R1.172 CC(O)CNCc1ccoc1 34a_100015206860_100011218427 [0,1,0,0,1,0|2,0,0]=4 11229 B11R1.172 CC(O)CNCc1ccon1 2230a_100000210904_100000234950 [0,1,0,0,1,0|2,0,0]=4 11230 B11R1.172 CC(O)CNCc1ccon1 34a_100000210904_100000234950 [0,1,0,0,1,0|2,0,0]=4 11231 B11R1.172 CC(O)CNCc1ccsc1 207a_100000210904_100000188534 [0,1,0,0,1,0|2,0,0]=4 11232 B11R1.172 CC(O)CNCc1ccsc1 2230a_100000186416_100011218427 [0,1,0,0,1,0|2,0,0]=4 11233 B11R1.172 CC(O)CNCc1ccsc1 2230a_100000210904_100011261437 [0,1,0,0,1,0|2,0,0]=4 11234 B11R1.172 CC(O)CNCc1ccsc1 270004a_100000210904_100000188534 [0,1,0,0,1,0|2,0,0]=4 11235 B11R1.172 CC(O)CNCc1ccsc1 34a_100000186416_100011218427 [0,1,0,0,1,0|2,0,0]=4 11236 B11R1.172 CC(O)CNCc1ccsc1 34a_100000210904_100011261437 [0,1,0,0,1,0|2,0,0]=4 11237 B11R1.172 CC(O)CNCc1cocn1 270004a_100000210904_100000050382 [0,1,0,0,1,0|2,0,0]=4 11238 B11R1.172 CC(O)CNCc1cscn1 207a_100000210904_100000743575 [0,1,0,0,1,0|2,0,0]=4 11239 B11R1.172 CC(O)CNCc1cscn1 2230a_100000210904_100000205941 [0,1,0,0,1,0|2,0,0]=4 11240 B11R1.172 CC(O)CNCc1cscn1 2230a_100015185402_100011218427 [0,1,0,0,1,0|2,0,0]=4 11241 B11R1.172 CC(O)CNCc1cscn1 270004a_100000210904_100000743575 [0,1,0,0,1,0|2,0,0]=4 11242 B11R1.172 CC(O)CNCc1cscn1 34a_100000210904_100000205941 [0,1,0,0,1,0|2,0,0]=4 11243 B11R1.172 CC(O)CNCc1ncc[nH]1 207a_100000210904_100000743867 [0,1,0,0,1,0|2,0,0]=4 11244 B11R1.172 CC(O)CNCc1ncc[nH]1 2230a_100000210904_100016991755 [0,1,0,0,1,0|2,0,0]=4 11245 B11R1.172 CC(O)CNCc1ncc[nH]1 34a_100000210904_100016991755 [0,1,0,0,1,0|2,0,0]=4 11246 B11R1.172 CC(O)CNCc1ncco1 2230a_100000210904_103436540062 [0,1,0,0,1,0|2,0,0]=4 11247 B11R1.172 CC(O)CNCc1ncco1 2230a_100016994969_100011218427 [0,1,0,0,1,0|2,0,0]=4 11248 B11R1.172 CC(O)CNCc1ncco1 270004a_100000210904_100000064290 [0,1,0,0,1,0|2,0,0]=4 11249 B11R1.172 CC(O)CNCc1ncco1 34a_100000210904_103436540062 [0,1,0,0,1,0|2,0,0]=4 11250 B11R1.172 CC(O)CNCc1nccs1 207a_100000210904_100000750902 [0,1,0,0,1,0|2,0,0]=4 11251 B11R1.172 CC(O)CNCc1nccs1 2230a_100000210904_100015184050 [0,1,0,0,1,0|2,0,0]=4 11252 B11R1.172 CC(O)CNCc1nccs1 2230a_100000740555_100011218427 [0,1,0,0,1,0|2,0,0]=4 11253 B11R1.172 CC(O)CNCc1nccs1 270004a_100000210904_100000750902 [0,1,0,0,1,0|2,0,0]=4 11254 B11R1.172 CC(O)CNCc1nccs1 34a_100000210904_100015184050 [0,1,0,0,1,0|2,0,0]=4 11255 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,1,0,0,1,0|2,0,0]=4 11256 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,1,0,0,1,0|2,0,0]=4 11257 B11R1.172 CC(O)COCc1ccoc1 34a_100011215357_100011218427 [0,1,0,0,1,0|2,0,0]=4 11258 B11R1.172 CC(O)COCc1ccsc1 34a_100011215551_100011218427 [0,1,0,0,1,0|2,0,0]=4 11259 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,1,0,0,1,0|2,0,0]=4 11260 B11R1.172 CC(O)COCn1cccn1 34a_100000731028_100011218427 [0,1,0,0,1,0|2,0,0]=4 11261 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100000707719_100011218427 [0,1,0,0,1,0|2,0,0]=4 11262 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100011218427_100000707719 [0,1,0,0,1,0|2,0,0]=4 11263 B11R1.172 CC(O)CSCc1ccon1 62a_100000234950_100011218427 [0,1,0,0,1,0|2,0,0]=4 11264 B11R1.172 CC(O)CSCc1ccon1 62a_100011218427_100000234950 [0,1,0,0,1,0|2,0,0]=4 11265 B11R1.172 CC(O)CSCc1ccsc1 62a_100011218427_100011233845 [0,1,0,0,1,0|2,0,0]=4 11266 B11R1.172 CC(O)CSCc1ccsc1 62a_100011261437_100011218427 [0,1,0,0,1,0|2,0,0]=4 11267 B11R1.172 CC(O)CSCc1cscn1 62a_100000205941_100011218427 [0,1,0,0,1,0|2,0,0]=4 11268 B11R1.172 CC(O)CSCc1cscn1 62a_100011218427_100000205941 [0,1,0,0,1,0|2,0,0]=4 11269 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100011218427_100016991755 [0,1,0,0,1,0|2,0,0]=4 11270 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100016991755_100011218427 [0,1,0,0,1,0|2,0,0]=4 11271 B11R1.172 CC(O)CSCc1ncco1 62a_100011218427_103436540062 [0,1,0,0,1,0|2,0,0]=4 11272 B11R1.172 CC(O)CSCc1ncco1 62a_103436540062_100011218427 [0,1,0,0,1,0|2,0,0]=4 11273 B11R1.172 CC(O)CSCc1nccs1 62a_100011218427_100015184050 [0,1,0,0,1,0|2,0,0]=4 11274 B11R1.172 CC(O)CSCc1nccs1 62a_100015184050_100011218427 [0,1,0,0,1,0|2,0,0]=4 11275 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,1,0,0,1,0|2,0,0]=4 11276 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,1,0,0,1,0|2,0,0]=4 11277 B11R1.172 CN(C)CCCn1cccc1 2230a_100102631434_200009814367 [0,1,0,0,1,0|2,0,0]=4 11278 B11R1.172 CN(C)CCCn1cccc1 269982a_100102631434_200009814367 [0,1,0,0,1,0|2,0,0]=4 11279 B11R1.172 CN(C)CCCn1cccn1 2230a_100102631434_100000739983 [0,1,0,0,1,0|2,0,0]=4 11280 B11R1.172 CN(C)CCCn1cccn1 269982a_100102631434_100000739983 [0,1,0,0,1,0|2,0,0]=4 11281 B11R1.172 C[C@@H](Cl)COCc1c[nH]cn1 34a_100016084084_100000707719 [0,1,0,0,1,0|2,0,0]=4 11282 B11R1.172 C[C@@H](Cl)COCc1ccon1 34a_100016084084_100000234950 [0,1,0,0,1,0|2,0,0]=4 11283 B11R1.172 C[C@@H](Cl)COCc1ccsc1 34a_100016084084_100011261437 [0,1,0,0,1,0|2,0,0]=4 11284 B11R1.172 C[C@@H](Cl)COCc1cscn1 34a_100016084084_100000205941 [0,1,0,0,1,0|2,0,0]=4 11285 B11R1.172 C[C@@H](Cl)COCc1ncc[nH]1 34a_100016084084_100016991755 [0,1,0,0,1,0|2,0,0]=4 11286 B11R1.172 C[C@@H](Cl)COCc1ncco1 34a_100016084084_103436540062 [0,1,0,0,1,0|2,0,0]=4 11287 B11R1.172 C[C@@H](Cl)COCc1nccs1 34a_100016084084_100015184050 [0,1,0,0,1,0|2,0,0]=4 11288 B11R1.172 C[C@@H](N)COCc1c[nH]cn1 34a_100000737577_100000707719 [0,1,0,0,1,0|2,0,0]=4 11289 B11R1.172 C[C@@H](N)COCc1ccon1 34a_100000737577_100000234950 [0,1,0,0,1,0|2,0,0]=4 11290 B11R1.172 C[C@@H](N)COCc1ccsc1 34a_100000737577_100011261437 [0,1,0,0,1,0|2,0,0]=4 11291 B11R1.172 C[C@@H](N)COCc1cscn1 34a_100000737577_100000205941 [0,1,0,0,1,0|2,0,0]=4 11292 B11R1.172 C[C@@H](N)COCc1ncc[nH]1 34a_100000737577_100016991755 [0,1,0,0,1,0|2,0,0]=4 11293 B11R1.172 C[C@@H](N)COCc1ncco1 34a_100000737577_103436540062 [0,1,0,0,1,0|2,0,0]=4 11294 B11R1.172 C[C@@H](N)COCc1nccs1 34a_100000737577_100015184050 [0,1,0,0,1,0|2,0,0]=4 11295 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,1,0,0,1,0|2,0,0]=4 11296 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,1,0,0,1,0|2,0,0]=4 11297 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,1,0,0,1,0|2,0,0]=4 11298 B11R1.172 C[C@@H](O)CNCc1ccoc1 2230a_100015206860_100009817552 [0,1,0,0,1,0|2,0,0]=4 11299 B11R1.172 C[C@@H](O)CNCc1ccoc1 34a_100015206860_100009817552 [0,1,0,0,1,0|2,0,0]=4 11300 B11R1.172 C[C@@H](O)CNCc1ccsc1 2230a_100000186416_100009817552 [0,1,0,0,1,0|2,0,0]=4 11301 B11R1.172 C[C@@H](O)CNCc1ccsc1 34a_100000186416_100009817552 [0,1,0,0,1,0|2,0,0]=4 11302 B11R1.172 C[C@@H](O)CNCc1cscn1 2230a_100015185402_100009817552 [0,1,0,0,1,0|2,0,0]=4 11303 B11R1.172 C[C@@H](O)CNCc1ncco1 2230a_100016994969_100009817552 [0,1,0,0,1,0|2,0,0]=4 11304 B11R1.172 C[C@@H](O)CNCc1nccs1 2230a_100000740555_100009817552 [0,1,0,0,1,0|2,0,0]=4 11305 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,1,0,0,1,0|2,0,0]=4 11306 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,1,0,0,1,0|2,0,0]=4 11307 B11R1.172 C[C@@H](O)COCc1ccoc1 34a_100011215357_100009817552 [0,1,0,0,1,0|2,0,0]=4 11308 B11R1.172 C[C@@H](O)COCc1ccsc1 34a_100011215551_100009817552 [0,1,0,0,1,0|2,0,0]=4 11309 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,1,0,0,1,0|2,0,0]=4 11310 B11R1.172 C[C@@H](O)COCn1cccn1 34a_100000731028_100009817552 [0,1,0,0,1,0|2,0,0]=4 11311 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100000707719_100009817552 [0,1,0,0,1,0|2,0,0]=4 11312 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100009817552_100000707719 [0,1,0,0,1,0|2,0,0]=4 11313 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100000234950_100009817552 [0,1,0,0,1,0|2,0,0]=4 11314 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100009817552_100000234950 [0,1,0,0,1,0|2,0,0]=4 11315 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100009817552_100011233845 [0,1,0,0,1,0|2,0,0]=4 11316 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100011261437_100009817552 [0,1,0,0,1,0|2,0,0]=4 11317 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100000205941_100009817552 [0,1,0,0,1,0|2,0,0]=4 11318 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100009817552_100000205941 [0,1,0,0,1,0|2,0,0]=4 11319 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100009817552_100016991755 [0,1,0,0,1,0|2,0,0]=4 11320 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100016991755_100009817552 [0,1,0,0,1,0|2,0,0]=4 11321 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_100009817552_103436540062 [0,1,0,0,1,0|2,0,0]=4 11322 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_103436540062_100009817552 [0,1,0,0,1,0|2,0,0]=4 11323 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100009817552_100015184050 [0,1,0,0,1,0|2,0,0]=4 11324 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100015184050_100009817552 [0,1,0,0,1,0|2,0,0]=4 11325 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,1,0,0,1,0|1,0,1]=4 11326 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,1,0,0,1,0|1,0,1]=4 11327 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,1,0,0,1,0|1,0,1]=4 11328 B11R1.180 CCCCSc1ccsc1C 62a_100000210211_100000684487 [0,1,0,0,1,0|2,0,0]=4 11329 B11R1.180 CCCCSc1ccsc1C 62a_100000684487_100000210210 [0,1,0,0,1,0|2,0,0]=4 11330 B11R1.180 CCCCSc1cscc1Br 62a_100000210211_100010143727 [0,1,0,0,1,0|2,0,0]=4 11331 B11R1.180 CCCCSc1cscc1Br 62a_100010143727_100000210210 [0,1,0,0,1,0|2,0,0]=4 11332 B11R1.180 CCCCSc1cscc1C 62a_100000210211_100000759966 [0,1,0,0,1,0|2,0,0]=4 11333 B11R1.180 CCCCSc1cscc1C 62a_100000759966_100000210210 [0,1,0,0,1,0|2,0,0]=4 11334 B11R1.180 CCCCSc1n[nH]cc1Br 62a_100000210211_100015839836 [0,1,0,0,1,0|2,0,0]=4 11335 B11R1.180 CCCCSc1n[nH]cc1Br 62a_100015839836_100000210210 [0,1,0,0,1,0|2,0,0]=4 11336 B11R1.180 CCCCSc1n[nH]cc1C 62a_100000210211_100009871783 [0,1,0,0,1,0|2,0,0]=4 11337 B11R1.180 CCCCSc1n[nH]cc1C 62a_100009871783_100000210210 [0,1,0,0,1,0|2,0,0]=4 11338 B11R1.180 CCCCSc1n[nH]cc1N 62a_100000210211_100010894806 [0,1,0,0,1,0|2,0,0]=4 11339 B11R1.180 CCCCSc1n[nH]cc1N 62a_100010894806_100000210210 [0,1,0,0,1,0|2,0,0]=4 11340 B11R1.180 CCCCSc1nc[nH]c1C 62a_100000210211_100010186451 [0,1,0,0,1,0|2,0,0]=4 11341 B11R1.180 CCCCSc1nc[nH]c1C 62a_100010186451_100000210210 [0,1,0,0,1,0|2,0,0]=4 11342 B11R1.180 CCCCSc1nccn1C 62a_100000210211_100000707724 [0,1,0,0,1,0|2,0,0]=4 11343 B11R1.180 CCCCSc1nccn1C 62a_100000707724_100000210210 [0,1,0,0,1,0|2,0,0]=4 11344 B11R1.180 CCCCSc1ncsc1C 62a_100000210211_100000732656 [0,1,0,0,1,0|2,0,0]=4 11345 B11R1.180 CCCCSc1ncsc1C 62a_100000732656_100000210210 [0,1,0,0,1,0|2,0,0]=4 11346 B11R1.180 CCCCSc1sccc1Br 62a_100000210211_100012361411 [0,1,0,0,1,0|2,0,0]=4 11347 B11R1.180 CCCCSc1sccc1Br 62a_100012361411_100000210210 [0,1,0,0,1,0|2,0,0]=4 11348 B11R1.180 CCCCSc1sccc1C 62a_100000210211_100010247149 [0,1,0,0,1,0|2,0,0]=4 11349 B11R1.180 CCCCSc1sccc1C 62a_100010247149_100000210210 [0,1,0,0,1,0|2,0,0]=4 11350 B11R1.180 CCCNCc1cccn1C 270004a_100020643023_100000211633 [0,1,0,0,1,0|1,0,1]=4 11351 B11R1.180 CCCNCc1cccn1C 34a_100011219357_100000210303 [0,1,0,0,1,0|1,0,1]=4 11352 B11R1.180 CCCNCc1ccsc1Br 207a_100020643023_100009816921 [0,1,0,0,1,0|2,0,0]=4 11353 B11R1.180 CCCNCc1ccsc1Br 2230a_100000727803_100000210303 [0,1,0,0,1,0|2,0,0]=4 11354 B11R1.180 CCCNCc1ccsc1Br 270004a_100020643023_100009816921 [0,1,0,0,1,0|2,0,0]=4 11355 B11R1.180 CCCNCc1ccsc1Br 34a_100000727803_100000210303 [0,1,0,0,1,0|2,0,0]=4 11356 B11R1.180 CCCNCc1ccsc1Cl 207a_100020643023_100000089901 [0,1,0,0,1,0|2,0,0]=4 11357 B11R1.180 CCCNCc1ccsc1Cl 270004a_100020643023_100000089901 [0,1,0,0,1,0|2,0,0]=4 11358 B11R1.180 CCCNCc1cscc1Br 207a_100020643023_100000685484 [0,1,0,0,1,0|2,0,0]=4 11359 B11R1.180 CCCNCc1cscc1Br 270004a_100020643023_100000685484 [0,1,0,0,1,0|2,0,0]=4 11360 B11R1.180 CCCNCc1n[nH]cc1Cl 207a_100020643023_100000040271 [0,1,0,0,1,0|2,0,0]=4 11361 B11R1.180 CCCNCc1n[nH]cc1Cl 270004a_100020643023_100000040271 [0,1,0,0,1,0|2,0,0]=4 11362 B11R1.180 CCCNCc1nc[nH]c1C 207a_100020643023_100000032982 [0,1,0,0,1,0|2,0,0]=4 11363 B11R1.180 CCCNCc1nccn1C 207a_100020643023_100000748660 [0,1,0,0,1,0|2,0,0]=4 11364 B11R1.180 CCCNCc1nccn1C 2230a_100015186572_100000210303 [0,1,0,0,1,0|2,0,0]=4 11365 B11R1.180 CCCNCc1nccn1C 270004a_100020643023_100000748660 [0,1,0,0,1,0|2,0,0]=4 11366 B11R1.180 CCCNCc1occc1Br 270004a_100020643023_100000756499 [0,1,0,0,1,0|2,0,0]=4 11367 B11R1.180 CCCNCc1occc1C 207a_100020643023_100000763527 [0,1,0,0,1,0|2,0,0]=4 11368 B11R1.180 CCCNCc1occc1C 270004a_100020643023_100000763527 [0,1,0,0,1,0|2,0,0]=4 11369 B11R1.180 CCCNCc1sccc1Br 207a_100020643023_100000766043 [0,1,0,0,1,0|2,0,0]=4 11370 B11R1.180 CCCNCc1sccc1Br 270004a_100020643023_100000766043 [0,1,0,0,1,0|2,0,0]=4 11371 B11R1.180 CCCNCc1sccc1C 207a_100020643023_100000210881 [0,1,0,0,1,0|2,0,0]=4 11372 B11R1.180 CCCNCc1sccc1C 2230a_100000238519_100000210303 [0,1,0,0,1,0|2,0,0]=4 11373 B11R1.180 CCCNCc1sccc1C 270004a_100020643023_100000210881 [0,1,0,0,1,0|2,0,0]=4 11374 B11R1.180 CCCNCc1sccc1C 34a_100000238519_100000210303 [0,1,0,0,1,0|2,0,0]=4 11375 B11R1.180 CCCNCc1sccc1Cl 207a_100020643023_100000722334 [0,1,0,0,1,0|2,0,0]=4 11376 B11R1.180 CCCNCc1sccc1Cl 2230a_100011934584_100000210303 [0,1,0,0,1,0|2,0,0]=4 11377 B11R1.180 CCCNCc1sccc1Cl 270004a_100020643023_100000722334 [0,1,0,0,1,0|2,0,0]=4 11378 B11R1.180 CCCNCc1sccc1Cl 34a_100011934584_100000210303 [0,1,0,0,1,0|2,0,0]=4 11379 B11R1.180 CCCOCc1ccoc1C 34a_100011219433_100000210303 [0,1,0,0,1,0|2,0,0]=4 11380 B11R1.180 CCCOCc1ccoc1C 7a_100011219433_100000210303 [0,1,0,0,1,0|2,0,0]=4 11381 B11R1.180 CCCOCc1ccsc1Br 34a_100000210258_100009814289 [0,1,0,0,1,0|2,0,0]=4 11382 B11R1.180 CCCOCc1ccsc1Br 34a_100009816922_100000210303 [0,1,0,0,1,0|2,0,0]=4 11383 B11R1.180 CCCOCc1ccsc1Br 7a_100009816922_100000210303 [0,1,0,0,1,0|2,0,0]=4 11384 B11R1.180 CCCOCc1ccsc1Cl 34a_100000210258_100010167017 [0,1,0,0,1,0|2,0,0]=4 11385 B11R1.180 CCCOCc1cscc1Br 34a_100000724555_100000210303 [0,1,0,0,1,0|2,0,0]=4 11386 B11R1.180 CCCOCc1nccn1C 34a_100000210258_100000700302 [0,1,0,0,1,0|2,0,0]=4 11387 B11R1.180 CCCOCc1nccn1C 7a_100000691215_100000210303 [0,1,0,0,1,0|2,0,0]=4 11388 B11R1.180 CCCOCc1ncoc1C 34a_100000210258_200000693990 [0,1,0,0,1,0|2,0,0]=4 11389 B11R1.180 CCCOCc1ncoc1C 34a_100012017639_100000210303 [0,1,0,0,1,0|2,0,0]=4 11390 B11R1.180 CCCOCc1occc1C 34a_100011273948_100000210303 [0,1,0,0,1,0|2,0,0]=4 11391 B11R1.180 CCCOCc1occc1C 7a_100011273948_100000210303 [0,1,0,0,1,0|2,0,0]=4 11392 B11R1.180 CCCOCc1sccc1Br 34a_100000702026_100000210303 [0,1,0,0,1,0|2,0,0]=4 11393 B11R1.180 CCCOCc1sccc1C 34a_100000238368_100000210303 [0,1,0,0,1,0|2,0,0]=4 11394 B11R1.180 CCCOCc1sccc1C 7a_100000238368_100000210303 [0,1,0,0,1,0|2,0,0]=4 11395 B11R1.180 CCCOCc1sccc1Cl 34a_100000722387_100000210303 [0,1,0,0,1,0|2,0,0]=4 11396 B11R1.180 CCCOCc1sccc1Cl 7a_100000722387_100000210303 [0,1,0,0,1,0|2,0,0]=4 11397 B11R1.180 CCCSCc1ccsc1Br 62a_100000210303_100009814289 [0,1,0,0,1,0|2,0,0]=4 11398 B11R1.180 CCCSCc1ccsc1Br 62a_100009814289_100000210303 [0,1,0,0,1,0|2,0,0]=4 11399 B11R1.180 CCCSCc1ccsc1Cl 62a_100000210303_100010167017 [0,1,0,0,1,0|2,0,0]=4 11400 B11R1.180 CCCSCc1ccsc1Cl 62a_100010167017_100000210303 [0,1,0,0,1,0|2,0,0]=4 11401 B11R1.180 CCCSCc1nc[nH]c1C 62a_100000210303_100000751220 [0,1,0,0,1,0|2,0,0]=4 11402 B11R1.180 CCCSCc1nc[nH]c1C 62a_100000751220_100000210303 [0,1,0,0,1,0|2,0,0]=4 11403 B11R1.180 CCCSCc1nccn1C 62a_100000210303_100000700302 [0,1,0,0,1,0|2,0,0]=4 11404 B11R1.180 CCCSCc1nccn1C 62a_100000700302_100000210303 [0,1,0,0,1,0|2,0,0]=4 11405 B11R1.180 CCCSCc1ncoc1C 62a_100000210303_200000693990 [0,1,0,0,1,0|2,0,0]=4 11406 B11R1.180 CCCSCc1ncoc1C 62a_200000693990_100000210303 [0,1,0,0,1,0|2,0,0]=4 11407 B11R1.180 CCNCCc1cccn1C 2230a_100011251756_100000210202 [0,1,0,0,1,0|1,0,1]=4 11408 B11R1.180 CCNCCc1cccn1C 34a_100011251756_100000210202 [0,1,0,0,1,0|1,0,1]=4 11409 B11R1.180 CCNCCn1nccc1C 2230a_100015525214_100011934269 [0,1,0,0,1,0|2,0,0]=4 11410 B11R1.180 CCOCCn1nccc1N 34a_100000701086_100000210202 [0,1,0,0,1,0|2,0,0]=4 11411 B11R1.180 CCSCCn1nccc1C 62a_100000210202_100011934269 [0,1,0,0,1,0|2,0,0]=4 11412 B11R1.180 CCSCCn1nccc1C 62a_100011934269_100000210202 [0,1,0,0,1,0|2,0,0]=4 11413 B13R1.34 CCCCOc1cccccc1=O 34a_100000036025_100000210210 [0,1,0,0,0,1|2,0,0]=4 11414 B13R1.34 CCCCOc1cccccc1=O 7a_100000036025_100000210211 [0,1,0,0,0,1|2,0,0]=4 11415 B13R1.9 BrCCCOCc1ccc(cc1)Br 34a_100011217188_100000189115 [0,2,0,0,0,0|2,0,0]=4 11416 B13R1.9 BrCCCOCc1ccc(cc1)I 34a_100011217188_100000189116 [0,2,0,0,0,0|2,0,0]=4 11417 B13R1.9 BrCCCOCc1ccc(cn1)Br 34a_100011217188_100000702658 [0,2,0,0,0,0|1,0,0]=3 11418 B13R1.9 BrCCCOCc1ncc(cn1)Br 34a_100011217188_100010064664 [0,2,0,0,0,0|2,0,0]=4 11419 B13R1.9 BrCCOCCc1ccc(cc1)Br 34a_100000211926_100011740612 [0,2,0,0,0,0|2,0,0]=4 11420 B13R1.9 C#CCCCNc1ccc(cn1)Br 27a_100000718082_100000686858 [0,2,0,0,0,0|0,0,2]=4 11421 B13R1.9 C#CCCCOc1ccc(cn1)C 34a_100000759353_100000695029 [0,2,0,0,0,0|0,0,2]=4 11422 B13R1.9 C#CCCCOc1ccc(cn1)Cl 34a_100011215309_100000695029 [0,2,0,0,0,0|0,0,2]=4 11423 B13R1.9 C#CCCCOc1ccc(cn1)F 34a_100000742473_100000695029 [0,2,0,0,0,0|0,0,2]=4 11424 B13R1.9 C#CCCCOc1ccc(cn1)N 34a_100000729260_100000695029 [0,2,0,0,0,0|0,0,2]=4 11425 B13R1.9 C#CCCCSc1ccc(cn1)Br 62a_100000686858_100011215417 [0,2,0,0,0,0|0,0,2]=4 11426 B13R1.9 C#CCCCSc1ccc(cn1)Br 62a_100011215417_100000686858 [0,2,0,0,0,0|0,0,2]=4 11427 B13R1.9 C#CCCCSc1ccc(cn1)C 62a_100011192072_100011215417 [0,2,0,0,0,0|0,0,2]=4 11428 B13R1.9 C#CCCCSc1ccc(cn1)C 62a_100011215417_100000754016 [0,2,0,0,0,0|0,0,2]=4 11429 B13R1.9 C#CCCCSc1ccc(cn1)Cl 62a_100011215417_100011356976 [0,2,0,0,0,0|0,0,2]=4 11430 B13R1.9 C#CCCCSc1ccc(cn1)Cl 62a_100011356976_100011215417 [0,2,0,0,0,0|0,0,2]=4 11431 B13R1.9 C#CCCCSc1ccc(cn1)F 62a_100000744514_100011215417 [0,2,0,0,0,0|0,0,2]=4 11432 B13R1.9 C#CCCCSc1ccc(cn1)F 62a_100011215417_100000744514 [0,2,0,0,0,0|0,0,2]=4 11433 B13R1.9 C#CCCCSc1ccc(cn1)N 62a_100000737798_100011215417 [0,2,0,0,0,0|0,0,2]=4 11434 B13R1.9 C#CCCCSc1ccc(cn1)N 62a_100011215417_100000737798 [0,2,0,0,0,0|0,0,2]=4 11435 B13R1.9 C#CCCCSc1ccc(cn1)O 62a_100000685995_100011215417 [0,2,0,0,0,0|0,0,2]=4 11436 B13R1.9 C#CCCCSc1ccc(cn1)O 62a_100011215417_100000744096 [0,2,0,0,0,0|0,0,2]=4 11437 B13R1.9 C#CCCNCc1ccc(cn1)Br 34a_100000755551_100000702658 [0,2,0,0,0,0|0,0,2]=4 11438 B13R1.9 C#CCCNCc1ccc(cn1)Br 34a_100015188789_100000688953 [0,2,0,0,0,0|0,0,2]=4 11439 B13R1.9 C#CCCNCc1ccc(cn1)C 34a_100000755551_100000691093 [0,2,0,0,0,0|0,0,2]=4 11440 B13R1.9 C#CCCNCc1ccc(cn1)C 34a_100015187455_100000688953 [0,2,0,0,0,0|0,0,2]=4 11441 B13R1.9 C#CCCNCc1ccc(cn1)Cl 34a_100000697193_100000688953 [0,2,0,0,0,0|0,0,2]=4 11442 B13R1.9 C#CCCNCc1ccc(cn1)Cl 34a_100000755551_100012066911 [0,2,0,0,0,0|0,0,2]=4 11443 B13R1.9 C#CCCNCc1ccc(cn1)F 34a_100000755551_100000703193 [0,2,0,0,0,0|0,0,2]=4 11444 B13R1.9 C#CCCNCc1ccc(cn1)F 34a_100020620131_100000688953 [0,2,0,0,0,0|0,0,2]=4 11445 B13R1.9 C#CCCOCc1ccc(cn1)Br 34a_100000754261_100000688953 [0,2,0,0,0,0|0,0,2]=4 11446 B13R1.9 C#CCCOCc1ccc(cn1)Br 34a_100011215631_100000702658 [0,2,0,0,0,0|0,0,2]=4 11447 B13R1.9 C#CCCOCc1ccc(cn1)C 34a_100011215631_100000691093 [0,2,0,0,0,0|0,0,2]=4 11448 B13R1.9 C#CCCOCc1ccc(cn1)C 34a_100012001401_100000688953 [0,2,0,0,0,0|0,0,2]=4 11449 B13R1.9 C#CCCOCc1ccc(cn1)Cl 34a_100000703999_100000688953 [0,2,0,0,0,0|0,0,2]=4 11450 B13R1.9 C#CCCOCc1ccc(cn1)Cl 34a_100011215631_100012066911 [0,2,0,0,0,0|0,0,2]=4 11451 B13R1.9 C#CCCOCc1ccc(cn1)F 34a_100011215631_100000703193 [0,2,0,0,0,0|0,0,2]=4 11452 B13R1.9 C#CCCOCc1ccc(cn1)F 34a_100011999454_100000688953 [0,2,0,0,0,0|0,0,2]=4 11453 B13R1.9 C#CCCOCc1ccc(cn1)N 34a_100011998161_100000688953 [0,2,0,0,0,0|0,0,2]=4 11454 B13R1.9 C#CCCSCc1ccc(cn1)Br 62a_100000688953_100000702658 [0,2,0,0,0,0|0,0,2]=4 11455 B13R1.9 C#CCCSCc1ccc(cn1)Br 62a_100000702658_100000688953 [0,2,0,0,0,0|0,0,2]=4 11456 B13R1.9 C#CCCSCc1ccc(cn1)C 62a_100000688953_100000691093 [0,2,0,0,0,0|0,0,2]=4 11457 B13R1.9 C#CCCSCc1ccc(cn1)C 62a_100000691093_100000688953 [0,2,0,0,0,0|0,0,2]=4 11458 B13R1.9 C#CCCSCc1ccc(cn1)Cl 62a_100000688953_100000697101 [0,2,0,0,0,0|0,0,2]=4 11459 B13R1.9 C#CCCSCc1ccc(cn1)Cl 62a_100012066911_100000688953 [0,2,0,0,0,0|0,0,2]=4 11460 B13R1.9 C#CCCSCc1ccc(cn1)F 62a_100000688953_100000703193 [0,2,0,0,0,0|0,0,2]=4 11461 B13R1.9 C#CCCSCc1ccc(cn1)F 62a_100000703193_100000688953 [0,2,0,0,0,0|0,0,2]=4 11462 B13R1.9 C#CCOCCc1ccc(cn1)Br 34a_100012357577_100000184674 [0,2,0,0,0,0|0,0,2]=4 11463 B13R1.9 C/C=C/CNCc1ccc(cn1)Br 34a_100015188789_100102629194 [0,2,0,0,0,0|0,0,2]=4 11464 B13R1.9 C/C=C/CNCc1ccc(cn1)C 34a_100015187455_100102629194 [0,2,0,0,0,0|0,0,2]=4 11465 B13R1.9 C/C=C/CNCc1ccc(cn1)Cl 34a_100000697193_100102629194 [0,2,0,0,0,0|0,0,2]=4 11466 B13R1.9 C/C=C/CNCc1ccc(cn1)F 34a_100020620131_100102629194 [0,2,0,0,0,0|0,0,2]=4 11467 B13R1.9 C/C=C/COCc1ccc(cn1)Br 34a_100000754261_100102629194 [0,2,0,0,0,0|0,0,2]=4 11468 B13R1.9 C/C=C/COCc1ccc(cn1)Br 34a_100016270725_100000702658 [0,2,0,0,0,0|0,0,2]=4 11469 B13R1.9 C/C=C/COCc1ccc(cn1)C 34a_100012001401_100102629194 [0,2,0,0,0,0|0,0,2]=4 11470 B13R1.9 C/C=C/COCc1ccc(cn1)C 34a_100016270725_100000691093 [0,2,0,0,0,0|0,0,2]=4 11471 B13R1.9 C/C=C/COCc1ccc(cn1)Cl 34a_100000703999_100102629194 [0,2,0,0,0,0|0,0,2]=4 11472 B13R1.9 C/C=C/COCc1ccc(cn1)Cl 34a_100016270725_100012066911 [0,2,0,0,0,0|0,0,2]=4 11473 B13R1.9 C/C=C/COCc1ccc(cn1)F 34a_100011999454_100102629194 [0,2,0,0,0,0|0,0,2]=4 11474 B13R1.9 C/C=C/COCc1ccc(cn1)F 34a_100016270725_100000703193 [0,2,0,0,0,0|0,0,2]=4 11475 B13R1.9 C/C=C/COCc1ccc(cn1)N 34a_100011998161_100102629194 [0,2,0,0,0,0|0,0,2]=4 11476 B13R1.9 C/C=C/CSCc1ccc(cn1)Br 62a_100000702658_100102629194 [0,2,0,0,0,0|0,0,2]=4 11477 B13R1.9 C/C=C/CSCc1ccc(cn1)Br 62a_100102629194_100000702658 [0,2,0,0,0,0|0,0,2]=4 11478 B13R1.9 C/C=C/CSCc1ccc(cn1)C 62a_100000691093_100102629194 [0,2,0,0,0,0|0,0,2]=4 11479 B13R1.9 C/C=C/CSCc1ccc(cn1)C 62a_100102629194_100000691093 [0,2,0,0,0,0|0,0,2]=4 11480 B13R1.9 C/C=C/CSCc1ccc(cn1)Cl 62a_100012066911_100102629194 [0,2,0,0,0,0|0,0,2]=4 11481 B13R1.9 C/C=C/CSCc1ccc(cn1)Cl 62a_100102629194_100000697101 [0,2,0,0,0,0|0,0,2]=4 11482 B13R1.9 C/C=C/CSCc1ccc(cn1)F 62a_100000703193_100102629194 [0,2,0,0,0,0|0,0,2]=4 11483 B13R1.9 C/C=C/CSCc1ccc(cn1)F 62a_100102629194_100000703193 [0,2,0,0,0,0|0,0,2]=4 11484 B13R1.9 C=CCCCNc1ccc(cn1)Br 27a_100000700776_100000686858 [0,2,0,0,0,0|0,0,2]=4 11485 B13R1.9 C=CCCCOc1ccc(cn1)C 34a_100000759353_100000757094 [0,2,0,0,0,0|0,0,2]=4 11486 B13R1.9 C=CCCCOc1ccc(cn1)Cl 34a_100011215309_100000757094 [0,2,0,0,0,0|0,0,2]=4 11487 B13R1.9 C=CCCCOc1ccc(cn1)F 34a_100000742473_100000757094 [0,2,0,0,0,0|0,0,2]=4 11488 B13R1.9 C=CCCCOc1ccc(cn1)N 34a_100000729260_100000757094 [0,2,0,0,0,0|0,0,2]=4 11489 B13R1.9 C=CCCCSc1ccc(cn1)Br 62a_100000686858_100000757094 [0,2,0,0,0,0|0,0,2]=4 11490 B13R1.9 C=CCCCSc1ccc(cn1)Br 62a_100011713584_100000686858 [0,2,0,0,0,0|0,0,2]=4 11491 B13R1.9 C=CCCCSc1ccc(cn1)C 62a_100011192072_100000757094 [0,2,0,0,0,0|0,0,2]=4 11492 B13R1.9 C=CCCCSc1ccc(cn1)C 62a_100011713584_100000754016 [0,2,0,0,0,0|0,0,2]=4 11493 B13R1.9 C=CCCCSc1ccc(cn1)Cl 62a_100011356976_100000757094 [0,2,0,0,0,0|0,0,2]=4 11494 B13R1.9 C=CCCCSc1ccc(cn1)Cl 62a_100011713584_100011356976 [0,2,0,0,0,0|0,0,2]=4 11495 B13R1.9 C=CCCCSc1ccc(cn1)F 62a_100000744514_100000757094 [0,2,0,0,0,0|0,0,2]=4 11496 B13R1.9 C=CCCCSc1ccc(cn1)F 62a_100011713584_100000744514 [0,2,0,0,0,0|0,0,2]=4 11497 B13R1.9 C=CCCCSc1ccc(cn1)N 62a_100000737798_100000757094 [0,2,0,0,0,0|0,0,2]=4 11498 B13R1.9 C=CCCCSc1ccc(cn1)N 62a_100011713584_100000737798 [0,2,0,0,0,0|0,0,2]=4 11499 B13R1.9 C=CCCCSc1ccc(cn1)O 62a_100000685995_100000757094 [0,2,0,0,0,0|0,0,2]=4 11500 B13R1.9 C=CCCCSc1ccc(cn1)O 62a_100011713584_100000744096 [0,2,0,0,0,0|0,0,2]=4 11501 B13R1.9 C=CCCNCc1ccc(cn1)Br 207a_100015191253_100000754260 [0,2,0,0,0,0|0,0,2]=4 11502 B13R1.9 C=CCCNCc1ccc(cn1)Br 2230a_100015191253_100000702658 [0,2,0,0,0,0|0,0,2]=4 11503 B13R1.9 C=CCCNCc1ccc(cn1)Br 270004a_100015191253_100000754260 [0,2,0,0,0,0|0,0,2]=4 11504 B13R1.9 C=CCCNCc1ccc(cn1)Br 34a_100015188789_100000754431 [0,2,0,0,0,0|0,0,2]=4 11505 B13R1.9 C=CCCNCc1ccc(cn1)C 207a_100015191253_100000050478 [0,2,0,0,0,0|0,0,2]=4 11506 B13R1.9 C=CCCNCc1ccc(cn1)C 2230a_100015191253_100000691093 [0,2,0,0,0,0|0,0,2]=4 11507 B13R1.9 C=CCCNCc1ccc(cn1)C 270004a_100015191253_100000050478 [0,2,0,0,0,0|0,0,2]=4 11508 B13R1.9 C=CCCNCc1ccc(cn1)C 34a_100015187455_100000754431 [0,2,0,0,0,0|0,0,2]=4 11509 B13R1.9 C=CCCNCc1ccc(cn1)Cl 207a_100015191253_100011361569 [0,2,0,0,0,0|0,0,2]=4 11510 B13R1.9 C=CCCNCc1ccc(cn1)Cl 2230a_100015191253_100012066911 [0,2,0,0,0,0|0,0,2]=4 11511 B13R1.9 C=CCCNCc1ccc(cn1)Cl 270004a_100015191253_100011361569 [0,2,0,0,0,0|0,0,2]=4 11512 B13R1.9 C=CCCNCc1ccc(cn1)Cl 34a_100000697193_100000754431 [0,2,0,0,0,0|0,0,2]=4 11513 B13R1.9 C=CCCNCc1ccc(cn1)F 207a_100015191253_100011934744 [0,2,0,0,0,0|0,0,2]=4 11514 B13R1.9 C=CCCNCc1ccc(cn1)F 2230a_100015191253_100000703193 [0,2,0,0,0,0|0,0,2]=4 11515 B13R1.9 C=CCCNCc1ccc(cn1)F 270004a_100015191253_100011934744 [0,2,0,0,0,0|0,0,2]=4 11516 B13R1.9 C=CCCNCc1ccc(cn1)F 34a_100020620131_100000754431 [0,2,0,0,0,0|0,0,2]=4 11517 B13R1.9 C=CCCOCc1ccc(cn1)Br 34a_100000754261_100000754431 [0,2,0,0,0,0|0,0,2]=4 11518 B13R1.9 C=CCCOCc1ccc(cn1)Br 34a_100011205117_100000702658 [0,2,0,0,0,0|0,0,2]=4 11519 B13R1.9 C=CCCOCc1ccc(cn1)C 34a_100011205117_100000691093 [0,2,0,0,0,0|0,0,2]=4 11520 B13R1.9 C=CCCOCc1ccc(cn1)C 34a_100012001401_100000754431 [0,2,0,0,0,0|0,0,2]=4 11521 B13R1.9 C=CCCOCc1ccc(cn1)Cl 34a_100000703999_100000754431 [0,2,0,0,0,0|0,0,2]=4 11522 B13R1.9 C=CCCOCc1ccc(cn1)Cl 34a_100011205117_100012066911 [0,2,0,0,0,0|0,0,2]=4 11523 B13R1.9 C=CCCOCc1ccc(cn1)F 34a_100011205117_100000703193 [0,2,0,0,0,0|0,0,2]=4 11524 B13R1.9 C=CCCOCc1ccc(cn1)F 34a_100011999454_100000754431 [0,2,0,0,0,0|0,0,2]=4 11525 B13R1.9 C=CCCOCc1ccc(cn1)N 34a_100011998161_100000754431 [0,2,0,0,0,0|0,0,2]=4 11526 B13R1.9 C=CCCSCc1ccc(cn1)Br 62a_100000702658_100000754431 [0,2,0,0,0,0|0,0,2]=4 11527 B13R1.9 C=CCCSCc1ccc(cn1)Br 62a_100000754431_100000702658 [0,2,0,0,0,0|0,0,2]=4 11528 B13R1.9 C=CCCSCc1ccc(cn1)C 62a_100000691093_100000754431 [0,2,0,0,0,0|0,0,2]=4 11529 B13R1.9 C=CCCSCc1ccc(cn1)C 62a_100000754431_100000691093 [0,2,0,0,0,0|0,0,2]=4 11530 B13R1.9 C=CCCSCc1ccc(cn1)Cl 62a_100000754431_100000697101 [0,2,0,0,0,0|0,0,2]=4 11531 B13R1.9 C=CCCSCc1ccc(cn1)Cl 62a_100012066911_100000754431 [0,2,0,0,0,0|0,0,2]=4 11532 B13R1.9 C=CCCSCc1ccc(cn1)F 62a_100000703193_100000754431 [0,2,0,0,0,0|0,0,2]=4 11533 B13R1.9 C=CCCSCc1ccc(cn1)F 62a_100000754431_100000703193 [0,2,0,0,0,0|0,0,2]=4 11534 B13R1.9 C=CCOCCc1ccc(cn1)Br 34a_100012357577_100015514636 [0,2,0,0,0,0|0,0,2]=4 11535 B13R1.9 CC#CCNCc1ccc(cn1)Br 2230a_100000685387_100000702658 [0,2,0,0,0,0|0,0,2]=4 11536 B13R1.9 CC#CCNCc1ccc(cn1)Br 34a_100000685387_100000702658 [0,2,0,0,0,0|0,0,2]=4 11537 B13R1.9 CC#CCNCc1ccc(cn1)Br 34a_100015188789_100000748600 [0,2,0,0,0,0|0,0,2]=4 11538 B13R1.9 CC#CCNCc1ccc(cn1)C 2230a_100000685387_100000691093 [0,2,0,0,0,0|0,0,2]=4 11539 B13R1.9 CC#CCNCc1ccc(cn1)C 34a_100000685387_100000691093 [0,2,0,0,0,0|0,0,2]=4 11540 B13R1.9 CC#CCNCc1ccc(cn1)C 34a_100015187455_100000748600 [0,2,0,0,0,0|0,0,2]=4 11541 B13R1.9 CC#CCNCc1ccc(cn1)Cl 2230a_100000685387_100012066911 [0,2,0,0,0,0|0,0,2]=4 11542 B13R1.9 CC#CCNCc1ccc(cn1)Cl 34a_100000685387_100012066911 [0,2,0,0,0,0|0,0,2]=4 11543 B13R1.9 CC#CCNCc1ccc(cn1)Cl 34a_100000697193_100000748600 [0,2,0,0,0,0|0,0,2]=4 11544 B13R1.9 CC#CCNCc1ccc(cn1)F 2230a_100000685387_100000703193 [0,2,0,0,0,0|0,0,2]=4 11545 B13R1.9 CC#CCNCc1ccc(cn1)F 34a_100000685387_100000703193 [0,2,0,0,0,0|0,0,2]=4 11546 B13R1.9 CC#CCNCc1ccc(cn1)F 34a_100020620131_100000748600 [0,2,0,0,0,0|0,0,2]=4 11547 B13R1.9 CC#CCOCc1ccc(cn1)Br 34a_100000754261_100000748600 [0,2,0,0,0,0|0,0,2]=4 11548 B13R1.9 CC#CCOCc1ccc(cn1)Br 34a_100000761923_100000702658 [0,2,0,0,0,0|0,0,2]=4 11549 B13R1.9 CC#CCOCc1ccc(cn1)C 34a_100000761923_100000691093 [0,2,0,0,0,0|0,0,2]=4 11550 B13R1.9 CC#CCOCc1ccc(cn1)C 34a_100012001401_100000748600 [0,2,0,0,0,0|0,0,2]=4 11551 B13R1.9 CC#CCOCc1ccc(cn1)Cl 34a_100000703999_100000748600 [0,2,0,0,0,0|0,0,2]=4 11552 B13R1.9 CC#CCOCc1ccc(cn1)Cl 34a_100000761923_100012066911 [0,2,0,0,0,0|0,0,2]=4 11553 B13R1.9 CC#CCOCc1ccc(cn1)F 34a_100000761923_100000703193 [0,2,0,0,0,0|0,0,2]=4 11554 B13R1.9 CC#CCOCc1ccc(cn1)F 34a_100011999454_100000748600 [0,2,0,0,0,0|0,0,2]=4 11555 B13R1.9 CC#CCOCc1ccc(cn1)N 34a_100011998161_100000748600 [0,2,0,0,0,0|0,0,2]=4 11556 B13R1.9 CC#CCSCc1ccc(cn1)Br 62a_100000702658_100000748600 [0,2,0,0,0,0|0,0,2]=4 11557 B13R1.9 CC#CCSCc1ccc(cn1)Br 62a_100000748600_100000702658 [0,2,0,0,0,0|0,0,2]=4 11558 B13R1.9 CC#CCSCc1ccc(cn1)C 62a_100000691093_100000748600 [0,2,0,0,0,0|0,0,2]=4 11559 B13R1.9 CC#CCSCc1ccc(cn1)C 62a_100000748600_100000691093 [0,2,0,0,0,0|0,0,2]=4 11560 B13R1.9 CC#CCSCc1ccc(cn1)Cl 62a_100000748600_100000697101 [0,2,0,0,0,0|0,0,2]=4 11561 B13R1.9 CC#CCSCc1ccc(cn1)Cl 62a_100012066911_100000748600 [0,2,0,0,0,0|0,0,2]=4 11562 B13R1.9 CC#CCSCc1ccc(cn1)F 62a_100000703193_100000748600 [0,2,0,0,0,0|0,0,2]=4 11563 B13R1.9 CC#CCSCc1ccc(cn1)F 62a_100000748600_100000703193 [0,2,0,0,0,0|0,0,2]=4 11564 B13R1.9 CC/C=C\COc1ccc(cn1)C 34a_100000759353_100103147603 [0,2,0,0,0,0|0,0,2]=4 11565 B13R1.9 CC/C=C\COc1ccc(cn1)Cl 34a_100011215309_100103147603 [0,2,0,0,0,0|0,0,2]=4 11566 B13R1.9 CC/C=C\COc1ccc(cn1)F 34a_100000742473_100103147603 [0,2,0,0,0,0|0,0,2]=4 11567 B13R1.9 CC/C=C\COc1ccc(cn1)N 34a_100000729260_100103147603 [0,2,0,0,0,0|0,0,2]=4 11568 B13R1.9 CC/C=C\CSc1ccc(cn1)Br 62a_100000686858_100103147603 [0,2,0,0,0,0|0,0,2]=4 11569 B13R1.9 CC/C=C\CSc1ccc(cn1)Br 62a_100103147603_100000686858 [0,2,0,0,0,0|0,0,2]=4 11570 B13R1.9 CC/C=C\CSc1ccc(cn1)C 62a_100011192072_100103147603 [0,2,0,0,0,0|0,0,2]=4 11571 B13R1.9 CC/C=C\CSc1ccc(cn1)C 62a_100103147603_100000754016 [0,2,0,0,0,0|0,0,2]=4 11572 B13R1.9 CC/C=C\CSc1ccc(cn1)Cl 62a_100011356976_100103147603 [0,2,0,0,0,0|0,0,2]=4 11573 B13R1.9 CC/C=C\CSc1ccc(cn1)Cl 62a_100103147603_100011356976 [0,2,0,0,0,0|0,0,2]=4 11574 B13R1.9 CC/C=C\CSc1ccc(cn1)F 62a_100000744514_100103147603 [0,2,0,0,0,0|0,0,2]=4 11575 B13R1.9 CC/C=C\CSc1ccc(cn1)F 62a_100103147603_100000744514 [0,2,0,0,0,0|0,0,2]=4 11576 B13R1.9 CC/C=C\CSc1ccc(cn1)N 62a_100000737798_100103147603 [0,2,0,0,0,0|0,0,2]=4 11577 B13R1.9 CC/C=C\CSc1ccc(cn1)N 62a_100103147603_100000737798 [0,2,0,0,0,0|0,0,2]=4 11578 B13R1.9 CC/C=C\CSc1ccc(cn1)O 62a_100000685995_100103147603 [0,2,0,0,0,0|0,0,2]=4 11579 B13R1.9 CC/C=C\CSc1ccc(cn1)O 62a_100103147603_100000744096 [0,2,0,0,0,0|0,0,2]=4 11580 B13R1.9 CC=CCNCc1ccc(cn1)Br 34a_100015188789_100000070051 [0,2,0,0,0,0|0,0,2]=4 11581 B13R1.9 CC=CCNCc1ccc(cn1)C 34a_100015187455_100000070051 [0,2,0,0,0,0|0,0,2]=4 11582 B13R1.9 CC=CCNCc1ccc(cn1)Cl 34a_100000697193_100000070051 [0,2,0,0,0,0|0,0,2]=4 11583 B13R1.9 CC=CCNCc1ccc(cn1)F 34a_100020620131_100000070051 [0,2,0,0,0,0|0,0,2]=4 11584 B13R1.9 CC=CCOCc1ccc(cn1)Br 34a_100000754261_100000070051 [0,2,0,0,0,0|0,0,2]=4 11585 B13R1.9 CC=CCOCc1ccc(cn1)C 34a_100012001401_100000070051 [0,2,0,0,0,0|0,0,2]=4 11586 B13R1.9 CC=CCOCc1ccc(cn1)Cl 34a_100000703999_100000070051 [0,2,0,0,0,0|0,0,2]=4 11587 B13R1.9 CC=CCOCc1ccc(cn1)F 34a_100011999454_100000070051 [0,2,0,0,0,0|0,0,2]=4 11588 B13R1.9 CC=CCOCc1ccc(cn1)N 34a_100011998161_100000070051 [0,2,0,0,0,0|0,0,2]=4 11589 B13R1.9 CC=CCSCc1ccc(cn1)Br 62a_100000070051_100000702658 [0,2,0,0,0,0|0,0,2]=4 11590 B13R1.9 CC=CCSCc1ccc(cn1)Br 62a_100000702658_100000070051 [0,2,0,0,0,0|0,0,2]=4 11591 B13R1.9 CC=CCSCc1ccc(cn1)C 62a_100000070051_100000691093 [0,2,0,0,0,0|0,0,2]=4 11592 B13R1.9 CC=CCSCc1ccc(cn1)C 62a_100000691093_100000070051 [0,2,0,0,0,0|0,0,2]=4 11593 B13R1.9 CC=CCSCc1ccc(cn1)Cl 62a_100000070051_100000697101 [0,2,0,0,0,0|0,0,2]=4 11594 B13R1.9 CC=CCSCc1ccc(cn1)Cl 62a_100012066911_100000070051 [0,2,0,0,0,0|0,0,2]=4 11595 B13R1.9 CC=CCSCc1ccc(cn1)F 62a_100000070051_100000703193 [0,2,0,0,0,0|0,0,2]=4 11596 B13R1.9 CC=CCSCc1ccc(cn1)F 62a_100000703193_100000070051 [0,2,0,0,0,0|0,0,2]=4 11597 B13R1.9 CCC#CCOc1ccc(cn1)C 34a_100000759353_100009813939 [0,2,0,0,0,0|0,0,2]=4 11598 B13R1.9 CCC#CCOc1ccc(cn1)Cl 34a_100011215309_100009813939 [0,2,0,0,0,0|0,0,2]=4 11599 B13R1.9 CCC#CCOc1ccc(cn1)F 34a_100000742473_100009813939 [0,2,0,0,0,0|0,0,2]=4 11600 B13R1.9 CCC#CCOc1ccc(cn1)N 34a_100000729260_100009813939 [0,2,0,0,0,0|0,0,2]=4 11601 B13R1.9 CCC#CCSc1ccc(cn1)Br 62a_100000686858_100009813939 [0,2,0,0,0,0|0,0,2]=4 11602 B13R1.9 CCC#CCSc1ccc(cn1)Br 62a_100009813939_100000686858 [0,2,0,0,0,0|0,0,2]=4 11603 B13R1.9 CCC#CCSc1ccc(cn1)C 62a_100009813939_100000754016 [0,2,0,0,0,0|0,0,2]=4 11604 B13R1.9 CCC#CCSc1ccc(cn1)C 62a_100011192072_100009813939 [0,2,0,0,0,0|0,0,2]=4 11605 B13R1.9 CCC#CCSc1ccc(cn1)Cl 62a_100009813939_100011356976 [0,2,0,0,0,0|0,0,2]=4 11606 B13R1.9 CCC#CCSc1ccc(cn1)Cl 62a_100011356976_100009813939 [0,2,0,0,0,0|0,0,2]=4 11607 B13R1.9 CCC#CCSc1ccc(cn1)F 62a_100000744514_100009813939 [0,2,0,0,0,0|0,0,2]=4 11608 B13R1.9 CCC#CCSc1ccc(cn1)F 62a_100009813939_100000744514 [0,2,0,0,0,0|0,0,2]=4 11609 B13R1.9 CCC#CCSc1ccc(cn1)N 62a_100000737798_100009813939 [0,2,0,0,0,0|0,0,2]=4 11610 B13R1.9 CCC#CCSc1ccc(cn1)N 62a_100009813939_100000737798 [0,2,0,0,0,0|0,0,2]=4 11611 B13R1.9 CCC#CCSc1ccc(cn1)O 62a_100000685995_100009813939 [0,2,0,0,0,0|0,0,2]=4 11612 B13R1.9 CCC#CCSc1ccc(cn1)O 62a_100009813939_100000744096 [0,2,0,0,0,0|0,0,2]=4 11613 B13R1.9 CCCC=NNc1ccc(cn1)Br 4a_100000750576_100000185831 [0,2,0,0,0,0|1,0,1]=4 11614 B13R1.9 CCCC=NNc1ccc(cn1)C 4a_100000746693_100000185831 [0,2,0,0,0,0|1,0,1]=4 11615 B13R1.9 CCCC=NNc1ccc(cn1)Cl 4a_100011206499_100000185831 [0,2,0,0,0,0|1,0,1]=4 11616 B13R1.9 CCCC=NNc1ccc(cn1)F 4a_100000753838_100000185831 [0,2,0,0,0,0|1,0,1]=4 11617 B13R1.9 CCCC=NNc1ccc(cn1)I 4a_100010221006_100000185831 [0,2,0,0,0,0|1,0,1]=4 11618 B13R1.9 CCCCC=Cc1ccc(=O)[nH]n1 271570a_100016275911_100009820020 [0,2,0,0,0,0|1,0,1]=4 11619 B13R1.9 CCCCC=Cc1ccc(cc1)Br 271570a_100016275911_100000752885 [0,2,0,0,0,0|1,0,1]=4 11620 B13R1.9 CCCCC=Cc1ccc(cc1)C 271570a_100016275911_100000186775 [0,2,0,0,0,0|1,0,1]=4 11621 B13R1.9 CCCCC=Cc1ccc(cc1)Cl 271570a_100016275911_100000755918 [0,2,0,0,0,0|1,0,1]=4 11622 B13R1.9 CCCCC=Cc1ccc(cc1)F 271570a_100016275911_100000211213 [0,2,0,0,0,0|1,0,1]=4 11623 B13R1.9 CCCCC=Cc1ccc(cc1)N 271570a_100016275911_100000185761 [0,2,0,0,0,0|1,0,1]=4 11624 B13R1.9 CCCCC=Cc1ccc(cc1)O 271570a_100016275911_100000185759 [0,2,0,0,0,0|1,0,1]=4 11625 B13R1.9 CCCCC=Cc1ccc(cn1)Br 271570a_100016275911_100000686858 [0,2,0,0,0,0|0,0,1]=3 11626 B13R1.9 CCCCC=Cc1ccc(cn1)C 271570a_100016275911_100000754016 [0,2,0,0,0,0|0,0,1]=3 11627 B13R1.9 CCCCC=Cc1ccc(cn1)Cl 271570a_100016275911_100011356976 [0,2,0,0,0,0|0,0,1]=3 11628 B13R1.9 CCCCC=Cc1ccc(cn1)F 271570a_100016275911_100000744514 [0,2,0,0,0,0|0,0,1]=3 11629 B13R1.9 CCCCC=Cc1ccc(cn1)N 271570a_100016275911_100000744251 [0,2,0,0,0,0|0,0,1]=3 11630 B13R1.9 CCCCC=Cc1ccc(cn1)O 271570a_100016275911_100000685995 [0,2,0,0,0,0|0,0,1]=3 11631 B13R1.9 CCCCC=Cc1ccc(nn1)C 271570a_100016275911_100011450037 [0,2,0,0,0,0|1,0,1]=4 11632 B13R1.9 CCCCC=Cc1ccc(nn1)N 271570a_100016275911_100009816609 [0,2,0,0,0,0|1,0,1]=4 11633 B13R1.9 CCCCC=Cc1cnc(cn1)C 271570a_100016275911_100011999403 [0,2,0,0,0,0|1,0,1]=4 11634 B13R1.9 CCCCC=Cc1cnc(cn1)F 271570a_100016275911_100009856528 [0,2,0,0,0,0|1,0,1]=4 11635 B13R1.9 CCCCC=Cc1cnc(cn1)N 271570a_100016275911_100000761932 [0,2,0,0,0,0|1,0,1]=4 11636 B13R1.9 CCCCC=Cc1ncc(cn1)Br 271570a_100016275911_100000690281 [0,2,0,0,0,0|1,0,1]=4 11637 B13R1.9 CCCCC=Cc1ncc(cn1)C 271570a_100016275911_100011825175 [0,2,0,0,0,0|1,0,1]=4 11638 B13R1.9 CCCCC=Cc1ncc(cn1)Cl 271570a_100016275911_100011356929 [0,2,0,0,0,0|1,0,1]=4 11639 B13R1.9 CCCCC=Cc1ncc(cn1)F 271570a_100016275911_100000685220 [0,2,0,0,0,0|1,0,1]=4 11640 B13R1.9 CCCCC=Cc1ncc(cn1)N 271570a_100016275911_100000068403 [0,2,0,0,0,0|1,0,1]=4 11641 B13R1.9 CCCCC=Cc1ncc(cn1)O 271570a_100016275911_100000730009 [0,2,0,0,0,0|1,0,1]=4 11642 B13R1.9 CCCCCCc1ccc(cc1)O 271570a_203496583355_100009814338 [0,2,0,0,0,0|1,0,0]=3 11643 B13R1.9 CCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210326 [0,2,0,0,0,0|1,0,0]=3 11644 B13R1.9 CCCCCNc1ccc(cc1)Br 34a_100000210018_100000718602 [0,2,0,0,0,0|1,0,0]=3 11645 B13R1.9 CCCCCNc1ccc(cc1)C 34a_100000124888_100000718602 [0,2,0,0,0,0|1,0,0]=3 11646 B13R1.9 CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210326 [0,2,0,0,0,0|1,0,0]=3 11647 B13R1.9 CCCCCNc1ccc(cc1)Cl 34a_100000210052_100000718602 [0,2,0,0,0,0|1,0,0]=3 11648 B13R1.9 CCCCCNc1ccc(cc1)F 34a_100000185862_100000718602 [0,2,0,0,0,0|1,0,0]=3 11649 B13R1.9 CCCCCNc1ccc(cc1)I 34a_100000185761_100000718602 [0,2,0,0,0,0|1,0,0]=3 11650 B13R1.9 CCCCCNc1ccc(cc1)O 34a_100000185829_100000718602 [0,2,0,0,0,0|1,0,0]=3 11651 B13R1.9 CCCCCNc1ccc(cn1)Br 27a_100000209983_100000686858 [0,2,0,0,0,0|0,0,0]=2 11652 B13R1.9 CCCCCNc1ccc(nn1)C 27a_100000209983_100000744512 [0,2,0,0,0,0|1,0,0]=3 11653 B13R1.9 CCCCCNc1ccc(nn1)O 271570a_203496583355_200000215342 [0,2,0,0,0,0|1,0,0]=3 11654 B13R1.9 CCCCCNc1cnc(cn1)Br 27a_100000209983_100010187541 [0,2,0,0,0,0|1,0,0]=3 11655 B13R1.9 CCCCCNc1cnc(cn1)C 27a_100000209983_100000074397 [0,2,0,0,0,0|1,0,0]=3 11656 B13R1.9 CCCCCNc1cnc(cn1)F 27a_100000209983_100009856528 [0,2,0,0,0,0|1,0,0]=3 11657 B13R1.9 CCCCCNc1cnc(nn1)N 27a_100000209983_100000691435 [0,2,0,0,0,0|2,0,0]=4 11658 B13R1.9 CCCCCNc1ncc(cn1)Br 27a_100000209983_100000690281 [0,2,0,0,0,0|1,0,0]=3 11659 B13R1.9 CCCCCNc1ncc(cn1)C 27a_100000209983_100000061069 [0,2,0,0,0,0|1,0,0]=3 11660 B13R1.9 CCCCCNc1ncc(cn1)Cl 27a_100000209983_100011356929 [0,2,0,0,0,0|1,0,0]=3 11661 B13R1.9 CCCCCNc1ncc(cn1)F 27a_100000209983_100000685220 [0,2,0,0,0,0|1,0,0]=3 11662 B13R1.9 CCCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000718602 [0,2,0,0,0,0|2,0,0]=4 11663 B13R1.9 CCCCCOc1ccc(cc1)Br 34a_100000185759_100000718602 [0,2,0,0,0,0|1,0,0]=3 11664 B13R1.9 CCCCCOc1ccc(cc1)Br 7a_100000185759_100000210326 [0,2,0,0,0,0|1,0,0]=3 11665 B13R1.9 CCCCCOc1ccc(cc1)C 34a_100000210336_100000718602 [0,2,0,0,0,0|1,0,0]=3 11666 B13R1.9 CCCCCOc1ccc(cc1)C 7a_100000210336_100000210326 [0,2,0,0,0,0|1,0,0]=3 11667 B13R1.9 CCCCCOc1ccc(cc1)Cl 34a_100000210216_100000718602 [0,2,0,0,0,0|1,0,0]=3 11668 B13R1.9 CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210326 [0,2,0,0,0,0|1,0,0]=3 11669 B13R1.9 CCCCCOc1ccc(cc1)F 34a_100000210339_100000718602 [0,2,0,0,0,0|1,0,0]=3 11670 B13R1.9 CCCCCOc1ccc(cc1)I 34a_100000212066_100000718602 [0,2,0,0,0,0|1,0,0]=3 11671 B13R1.9 CCCCCOc1ccc(cc1)I 7a_100000212066_100000210326 [0,2,0,0,0,0|1,0,0]=3 11672 B13R1.9 CCCCCOc1ccc(cc1)N 34a_100000185829_100000718602 [0,2,0,0,0,0|1,0,0]=3 11673 B13R1.9 CCCCCOc1ccc(cc1)O 271570a_203496583355_200011214818 [0,2,0,0,0,0|1,0,0]=3 11674 B13R1.9 CCCCCOc1ccc(cn1)C 34a_100000759353_100000718602 [0,2,0,0,0,0|0,0,0]=2 11675 B13R1.9 CCCCCOc1ccc(cn1)Cl 34a_100011215309_100000718602 [0,2,0,0,0,0|0,0,0]=2 11676 B13R1.9 CCCCCOc1ccc(cn1)F 34a_100000742473_100000718602 [0,2,0,0,0,0|0,0,0]=2 11677 B13R1.9 CCCCCOc1ccc(cn1)N 34a_100000729260_100000718602 [0,2,0,0,0,0|0,0,0]=2 11678 B13R1.9 CCCCCOc1ccc(nc1)Br 34a_100000685995_100000718602 [0,2,0,0,0,0|2,0,0]=4 11679 B13R1.9 CCCCCOc1ccc(nc1)Br 7a_100000685995_100000210326 [0,2,0,0,0,0|2,0,0]=4 11680 B13R1.9 CCCCCOc1ccc(nc1)C 34a_100000745506_100000718602 [0,2,0,0,0,0|2,0,0]=4 11681 B13R1.9 CCCCCOc1ccc(nc1)C 7a_100000745506_100000210326 [0,2,0,0,0,0|2,0,0]=4 11682 B13R1.9 CCCCCOc1ccc(nc1)Cl 34a_100000744096_100000718602 [0,2,0,0,0,0|2,0,0]=4 11683 B13R1.9 CCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210326 [0,2,0,0,0,0|2,0,0]=4 11684 B13R1.9 CCCCCOc1ccc(nc1)F 34a_100000688820_100000718602 [0,2,0,0,0,0|2,0,0]=4 11685 B13R1.9 CCCCCOc1ccc(nc1)F 7a_100000688820_100000210326 [0,2,0,0,0,0|2,0,0]=4 11686 B13R1.9 CCCCCOc1ccc(nc1)I 34a_100000687607_100000718602 [0,2,0,0,0,0|2,0,0]=4 11687 B13R1.9 CCCCCOc1ccc(nc1)I 7a_100000687607_100000210326 [0,2,0,0,0,0|2,0,0]=4 11688 B13R1.9 CCCCCOc1ccc(nc1)N 34a_100015188713_100000718602 [0,2,0,0,0,0|2,0,0]=4 11689 B13R1.9 CCCCCOc1ccc(nc1)N 7a_100015188713_100000210326 [0,2,0,0,0,0|2,0,0]=4 11690 B13R1.9 CCCCCOc1cnc(cn1)Br 34a_100011934580_100000718602 [0,2,0,0,0,0|1,0,0]=3 11691 B13R1.9 CCCCCOc1cnc(cn1)Cl 34a_100015839800_100000718602 [0,2,0,0,0,0|1,0,0]=3 11692 B13R1.9 CCCCCOc1ncc(cn1)F 34a_100011934040_100000718602 [0,2,0,0,0,0|1,0,0]=3 11693 B13R1.9 CCCCCSc1cc[n+](cc1)[O-] 62a_100000210326_100000039755 [0,2,0,0,0,0|2,0,0]=4 11694 B13R1.9 CCCCCSc1ccc(=O)[nH]c1 62a_100000210326_100000212171 [0,2,0,0,0,0|2,0,0]=4 11695 B13R1.9 CCCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210326 [0,2,0,0,0,0|2,0,0]=4 11696 B13R1.9 CCCCCSc1ccc(=O)[nH]n1 62a_100000210326_100009820020 [0,2,0,0,0,0|1,0,0]=3 11697 B13R1.9 CCCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210326 [0,2,0,0,0,0|1,0,0]=3 11698 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000210326_100000752885 [0,2,0,0,0,0|1,0,0]=3 11699 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000752885_100000210326 [0,2,0,0,0,0|1,0,0]=3 11700 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000186775_100000210326 [0,2,0,0,0,0|1,0,0]=3 11701 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000210326_100000186775 [0,2,0,0,0,0|1,0,0]=3 11702 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000210326_100000755918 [0,2,0,0,0,0|1,0,0]=3 11703 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210326 [0,2,0,0,0,0|1,0,0]=3 11704 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000210326_100000211213 [0,2,0,0,0,0|1,0,0]=3 11705 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000211213_100000210326 [0,2,0,0,0,0|1,0,0]=3 11706 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000185761_100000210326 [0,2,0,0,0,0|1,0,0]=3 11707 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000210326_100000185761 [0,2,0,0,0,0|1,0,0]=3 11708 B13R1.9 CCCCCSc1ccc(cc1)O 62a_100000210326_100000185759 [0,2,0,0,0,0|1,0,0]=3 11709 B13R1.9 CCCCCSc1ccc(cn1)Br 62a_100000210326_100000686858 [0,2,0,0,0,0|0,0,0]=2 11710 B13R1.9 CCCCCSc1ccc(cn1)Br 62a_100000686858_100000210326 [0,2,0,0,0,0|0,0,0]=2 11711 B13R1.9 CCCCCSc1ccc(cn1)C 62a_100000210326_100000754016 [0,2,0,0,0,0|0,0,0]=2 11712 B13R1.9 CCCCCSc1ccc(cn1)C 62a_100011192072_100000210326 [0,2,0,0,0,0|0,0,0]=2 11713 B13R1.9 CCCCCSc1ccc(cn1)Cl 62a_100000210326_100011356976 [0,2,0,0,0,0|0,0,0]=2 11714 B13R1.9 CCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210326 [0,2,0,0,0,0|0,0,0]=2 11715 B13R1.9 CCCCCSc1ccc(cn1)F 62a_100000210326_100000744514 [0,2,0,0,0,0|0,0,0]=2 11716 B13R1.9 CCCCCSc1ccc(cn1)F 62a_100000744514_100000210326 [0,2,0,0,0,0|0,0,0]=2 11717 B13R1.9 CCCCCSc1ccc(cn1)N 62a_100000210326_100000737798 [0,2,0,0,0,0|0,0,0]=2 11718 B13R1.9 CCCCCSc1ccc(cn1)N 62a_100000737798_100000210326 [0,2,0,0,0,0|0,0,0]=2 11719 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000210326_100000744096 [0,2,0,0,0,0|0,0,0]=2 11720 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000685995_100000210326 [0,2,0,0,0,0|0,0,0]=2 11721 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100000210326_100009814638 [0,2,0,0,0,0|2,0,0]=4 11722 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100009814638_100000210326 [0,2,0,0,0,0|2,0,0]=4 11723 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000210326_100000751577 [0,2,0,0,0,0|2,0,0]=4 11724 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000751577_100000210326 [0,2,0,0,0,0|2,0,0]=4 11725 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210326 [0,2,0,0,0,0|2,0,0]=4 11726 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000210326_100000034144 [0,2,0,0,0,0|2,0,0]=4 11727 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000042367_100000210326 [0,2,0,0,0,0|2,0,0]=4 11728 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000210326_100000042367 [0,2,0,0,0,0|2,0,0]=4 11729 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000187370_100000210326 [0,2,0,0,0,0|2,0,0]=4 11730 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000210326_100000187370 [0,2,0,0,0,0|2,0,0]=4 11731 B13R1.9 CCCCCSc1ccc(nn1)C 62a_100000210326_100000744512 [0,2,0,0,0,0|1,0,0]=3 11732 B13R1.9 CCCCCSc1ccc(nn1)C 62a_100000744512_100000210326 [0,2,0,0,0,0|1,0,0]=3 11733 B13R1.9 CCCCCSc1ccc(nn1)Cl 62a_100000068654_100000210326 [0,2,0,0,0,0|1,0,0]=3 11734 B13R1.9 CCCCCSc1ccc(nn1)Cl 62a_100000210326_100000068654 [0,2,0,0,0,0|1,0,0]=3 11735 B13R1.9 CCCCCSc1ccc(nn1)N 62a_100000210326_100010219413 [0,2,0,0,0,0|1,0,0]=3 11736 B13R1.9 CCCCCSc1ccc(nn1)N 62a_100010219413_100000210326 [0,2,0,0,0,0|1,0,0]=3 11737 B13R1.9 CCCCCSc1cnc(cn1)Br 62a_100000210326_100010187541 [0,2,0,0,0,0|1,0,0]=3 11738 B13R1.9 CCCCCSc1cnc(cn1)Br 62a_100010187541_100000210326 [0,2,0,0,0,0|1,0,0]=3 11739 B13R1.9 CCCCCSc1cnc(cn1)C 62a_100000210326_100011999403 [0,2,0,0,0,0|1,0,0]=3 11740 B13R1.9 CCCCCSc1cnc(cn1)C 62a_100011999403_100000210326 [0,2,0,0,0,0|1,0,0]=3 11741 B13R1.9 CCCCCSc1cnc(cn1)Cl 62a_100000210326_100010214907 [0,2,0,0,0,0|1,0,0]=3 11742 B13R1.9 CCCCCSc1cnc(cn1)Cl 62a_100010214907_100000210326 [0,2,0,0,0,0|1,0,0]=3 11743 B13R1.9 CCCCCSc1cnc(cn1)F 62a_100000210326_100009856528 [0,2,0,0,0,0|1,0,0]=3 11744 B13R1.9 CCCCCSc1cnc(cn1)F 62a_100009856528_100000210326 [0,2,0,0,0,0|1,0,0]=3 11745 B13R1.9 CCCCCSc1cnc(cn1)N 62a_100000210326_100000744751 [0,2,0,0,0,0|1,0,0]=3 11746 B13R1.9 CCCCCSc1cnc(cn1)N 62a_100000744751_100000210326 [0,2,0,0,0,0|1,0,0]=3 11747 B13R1.9 CCCCCSc1cnc(cn1)O 62a_100000210326_100015839800 [0,2,0,0,0,0|1,0,0]=3 11748 B13R1.9 CCCCCSc1cnc(cn1)O 62a_100011934580_100000210326 [0,2,0,0,0,0|1,0,0]=3 11749 B13R1.9 CCCCCSc1cnc(nn1)N 62a_100000210326_100000691435 [0,2,0,0,0,0|2,0,0]=4 11750 B13R1.9 CCCCCSc1cnc(nn1)N 62a_100000691435_100000210326 [0,2,0,0,0,0|2,0,0]=4 11751 B13R1.9 CCCCCSc1ncc(cn1)Br 62a_100000210326_100000690281 [0,2,0,0,0,0|1,0,0]=3 11752 B13R1.9 CCCCCSc1ncc(cn1)Br 62a_100000690281_100000210326 [0,2,0,0,0,0|1,0,0]=3 11753 B13R1.9 CCCCCSc1ncc(cn1)C 62a_100000061069_100000210326 [0,2,0,0,0,0|1,0,0]=3 11754 B13R1.9 CCCCCSc1ncc(cn1)C 62a_100000210326_100000061069 [0,2,0,0,0,0|1,0,0]=3 11755 B13R1.9 CCCCCSc1ncc(cn1)Cl 62a_100000210326_100011356929 [0,2,0,0,0,0|1,0,0]=3 11756 B13R1.9 CCCCCSc1ncc(cn1)Cl 62a_100011356929_100000210326 [0,2,0,0,0,0|1,0,0]=3 11757 B13R1.9 CCCCCSc1ncc(cn1)F 62a_100000210326_100000685220 [0,2,0,0,0,0|1,0,0]=3 11758 B13R1.9 CCCCCSc1ncc(cn1)F 62a_100000685220_100000210326 [0,2,0,0,0,0|1,0,0]=3 11759 B13R1.9 CCCCCSc1ncc(cn1)N 62a_100000068403_100000210326 [0,2,0,0,0,0|1,0,0]=3 11760 B13R1.9 CCCCCSc1ncc(cn1)N 62a_100000210326_100000068403 [0,2,0,0,0,0|1,0,0]=3 11761 B13R1.9 CCCCCSc1ncc(cn1)O 62a_100000210326_100000092845 [0,2,0,0,0,0|1,0,0]=3 11762 B13R1.9 CCCCCSc1ncc(cn1)O 62a_100000730009_100000210326 [0,2,0,0,0,0|1,0,0]=3 11763 B13R1.9 CCCCNCc1ccc(=O)[nH]n1 207a_100000102301_100011361533 [0,2,0,0,0,0|1,0,0]=3 11764 B13R1.9 CCCCNCc1ccc(=O)[nH]n1 270004a_100000102301_100011361533 [0,2,0,0,0,0|1,0,0]=3 11765 B13R1.9 CCCCNCc1ccc(cc1)Br 207a_100000102301_100000186029 [0,2,0,0,0,0|1,0,0]=3 11766 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000102301_100011217064 [0,2,0,0,0,0|1,0,0]=3 11767 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210211 [0,2,0,0,0,0|1,0,0]=3 11768 B13R1.9 CCCCNCc1ccc(cc1)Br 270004a_100000102301_100000186029 [0,2,0,0,0,0|1,0,0]=3 11769 B13R1.9 CCCCNCc1ccc(cc1)Br 34a_100000174875_100000210210 [0,2,0,0,0,0|1,0,0]=3 11770 B13R1.9 CCCCNCc1ccc(cc1)Br 7a_106832991798_100011217064 [0,2,0,0,0,0|1,0,0]=3 11771 B13R1.9 CCCCNCc1ccc(cc1)C 207a_100000102301_100000211033 [0,2,0,0,0,0|1,0,0]=3 11772 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000102301_100000210814 [0,2,0,0,0,0|1,0,0]=3 11773 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000174908_100000210211 [0,2,0,0,0,0|1,0,0]=3 11774 B13R1.9 CCCCNCc1ccc(cc1)C 270004a_100000102301_100000211033 [0,2,0,0,0,0|1,0,0]=3 11775 B13R1.9 CCCCNCc1ccc(cc1)C 34a_100000174908_100000210210 [0,2,0,0,0,0|1,0,0]=3 11776 B13R1.9 CCCCNCc1ccc(cc1)C 7a_106832991798_100000210814 [0,2,0,0,0,0|1,0,0]=3 11777 B13R1.9 CCCCNCc1ccc(cc1)Cl 207a_100000102301_100000189385 [0,2,0,0,0,0|1,0,0]=3 11778 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000102301_100000694040 [0,2,0,0,0,0|1,0,0]=3 11779 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210211 [0,2,0,0,0,0|1,0,0]=3 11780 B13R1.9 CCCCNCc1ccc(cc1)Cl 270004a_100000102301_100000189385 [0,2,0,0,0,0|1,0,0]=3 11781 B13R1.9 CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210210 [0,2,0,0,0,0|1,0,0]=3 11782 B13R1.9 CCCCNCc1ccc(cc1)Cl 7a_106832991798_100000187161 [0,2,0,0,0,0|1,0,0]=3 11783 B13R1.9 CCCCNCc1ccc(cc1)F 207a_100000102301_100000210084 [0,2,0,0,0,0|1,0,0]=3 11784 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000102301_100000198546 [0,2,0,0,0,0|1,0,0]=3 11785 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000174882_100000210211 [0,2,0,0,0,0|1,0,0]=3 11786 B13R1.9 CCCCNCc1ccc(cc1)F 270004a_100000102301_100000210084 [0,2,0,0,0,0|1,0,0]=3 11787 B13R1.9 CCCCNCc1ccc(cc1)F 34a_100000174882_100000210210 [0,2,0,0,0,0|1,0,0]=3 11788 B13R1.9 CCCCNCc1ccc(cc1)F 7a_106832991798_100000198546 [0,2,0,0,0,0|1,0,0]=3 11789 B13R1.9 CCCCNCc1ccc(cc1)I 207a_100000102301_100000188517 [0,2,0,0,0,0|1,0,0]=3 11790 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100000102301_100000189116 [0,2,0,0,0,0|1,0,0]=3 11791 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100016989417_100000210211 [0,2,0,0,0,0|1,0,0]=3 11792 B13R1.9 CCCCNCc1ccc(cc1)I 34a_100016989417_100000210210 [0,2,0,0,0,0|1,0,0]=3 11793 B13R1.9 CCCCNCc1ccc(cc1)I 7a_106832991798_100000189116 [0,2,0,0,0,0|1,0,0]=3 11794 B13R1.9 CCCCNCc1ccc(cc1)O 271570a_203496583355_100015187156 [0,2,0,0,0,0|1,0,0]=3 11795 B13R1.9 CCCCNCc1ccc(cc1)O 34a_100000185549_100000210210 [0,2,0,0,0,0|1,0,0]=3 11796 B13R1.9 CCCCNCc1ccc(cn1)Br 207a_100000102301_100000754260 [0,2,0,0,0,0|0,0,0]=2 11797 B13R1.9 CCCCNCc1ccc(cn1)Br 2230a_100000102301_100000702658 [0,2,0,0,0,0|0,0,0]=2 11798 B13R1.9 CCCCNCc1ccc(cn1)Br 270004a_100000102301_100000754260 [0,2,0,0,0,0|0,0,0]=2 11799 B13R1.9 CCCCNCc1ccc(cn1)Br 34a_100015188789_100000210210 [0,2,0,0,0,0|0,0,0]=2 11800 B13R1.9 CCCCNCc1ccc(cn1)Br 7a_106832991798_100000702658 [0,2,0,0,0,0|0,0,0]=2 11801 B13R1.9 CCCCNCc1ccc(cn1)C 207a_100000102301_100000050478 [0,2,0,0,0,0|0,0,0]=2 11802 B13R1.9 CCCCNCc1ccc(cn1)C 2230a_100000102301_100000691093 [0,2,0,0,0,0|0,0,0]=2 11803 B13R1.9 CCCCNCc1ccc(cn1)C 270004a_100000102301_100000050478 [0,2,0,0,0,0|0,0,0]=2 11804 B13R1.9 CCCCNCc1ccc(cn1)C 34a_100015187455_100000210210 [0,2,0,0,0,0|0,0,0]=2 11805 B13R1.9 CCCCNCc1ccc(cn1)C 7a_106832991798_100000691093 [0,2,0,0,0,0|0,0,0]=2 11806 B13R1.9 CCCCNCc1ccc(cn1)Cl 207a_100000102301_100011361569 [0,2,0,0,0,0|0,0,0]=2 11807 B13R1.9 CCCCNCc1ccc(cn1)Cl 2230a_100000102301_100012066911 [0,2,0,0,0,0|0,0,0]=2 11808 B13R1.9 CCCCNCc1ccc(cn1)Cl 270004a_100000102301_100011361569 [0,2,0,0,0,0|0,0,0]=2 11809 B13R1.9 CCCCNCc1ccc(cn1)Cl 34a_100000697193_100000210210 [0,2,0,0,0,0|0,0,0]=2 11810 B13R1.9 CCCCNCc1ccc(cn1)Cl 7a_106832991798_100012066911 [0,2,0,0,0,0|0,0,0]=2 11811 B13R1.9 CCCCNCc1ccc(cn1)F 207a_100000102301_100011934744 [0,2,0,0,0,0|0,0,0]=2 11812 B13R1.9 CCCCNCc1ccc(cn1)F 2230a_100000102301_100000703193 [0,2,0,0,0,0|0,0,0]=2 11813 B13R1.9 CCCCNCc1ccc(cn1)F 270004a_100000102301_100011934744 [0,2,0,0,0,0|0,0,0]=2 11814 B13R1.9 CCCCNCc1ccc(cn1)F 34a_100020620131_100000210210 [0,2,0,0,0,0|0,0,0]=2 11815 B13R1.9 CCCCNCc1ccc(cn1)F 7a_106832991798_100000703193 [0,2,0,0,0,0|0,0,0]=2 11816 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100000102301_100009831999 [0,2,0,0,0,0|2,0,0]=4 11817 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210211 [0,2,0,0,0,0|2,0,0]=4 11818 B13R1.9 CCCCNCc1ccc(nc1)Br 34a_100009817727_100000210210 [0,2,0,0,0,0|2,0,0]=4 11819 B13R1.9 CCCCNCc1ccc(nc1)Br 7a_106832991798_100009831999 [0,2,0,0,0,0|2,0,0]=4 11820 B13R1.9 CCCCNCc1ccc(nc1)C 2230a_100000102301_100016987292 [0,2,0,0,0,0|2,0,0]=4 11821 B13R1.9 CCCCNCc1ccc(nc1)C 270004a_100000102301_100000743784 [0,2,0,0,0,0|2,0,0]=4 11822 B13R1.9 CCCCNCc1ccc(nc1)C 34a_100000740942_100000210210 [0,2,0,0,0,0|2,0,0]=4 11823 B13R1.9 CCCCNCc1ccc(nc1)C 7a_106832991798_100016987292 [0,2,0,0,0,0|2,0,0]=4 11824 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000102301_100000735431 [0,2,0,0,0,0|2,0,0]=4 11825 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210211 [0,2,0,0,0,0|2,0,0]=4 11826 B13R1.9 CCCCNCc1ccc(nc1)Cl 34a_100000735879_100000210210 [0,2,0,0,0,0|2,0,0]=4 11827 B13R1.9 CCCCNCc1ccc(nc1)Cl 7a_106832991798_100000735431 [0,2,0,0,0,0|2,0,0]=4 11828 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000101913_100000210211 [0,2,0,0,0,0|2,0,0]=4 11829 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000102301_100009820150 [0,2,0,0,0,0|2,0,0]=4 11830 B13R1.9 CCCCNCc1ccc(nc1)F 34a_100000101913_100000210210 [0,2,0,0,0,0|2,0,0]=4 11831 B13R1.9 CCCCNCc1ccc(nc1)F 7a_106832991798_100009820150 [0,2,0,0,0,0|2,0,0]=4 11832 B13R1.9 CCCCNCc1ccc(nc1)O 207a_100000102301_100011361521 [0,2,0,0,0,0|2,0,0]=4 11833 B13R1.9 CCCCNCc1ccc(nc1)O 2230a_100000757128_100000210211 [0,2,0,0,0,0|2,0,0]=4 11834 B13R1.9 CCCCNCc1ccc(nn1)Cl 2230a_100000102301_100016992710 [0,2,0,0,0,0|1,0,0]=3 11835 B13R1.9 CCCCNCc1ccc(nn1)Cl 270004a_100000102301_100000044651 [0,2,0,0,0,0|1,0,0]=3 11836 B13R1.9 CCCCNCc1ccc(nn1)Cl 7a_106832991798_100016992710 [0,2,0,0,0,0|1,0,0]=3 11837 B13R1.9 CCCCNCc1cnc(cn1)C 2230a_100000102301_100000752025 [0,2,0,0,0,0|1,0,0]=3 11838 B13R1.9 CCCCNCc1cnc(cn1)C 270004a_100000102301_100000685221 [0,2,0,0,0,0|1,0,0]=3 11839 B13R1.9 CCCCNCc1cnc(cn1)C 34a_100132314150_100000210210 [0,2,0,0,0,0|1,0,0]=3 11840 B13R1.9 CCCCNCc1cnc(cn1)C 7a_106832991798_100000752025 [0,2,0,0,0,0|1,0,0]=3 11841 B13R1.9 CCCCNCc1cnc(cn1)Cl 270004a_100000102301_100012001714 [0,2,0,0,0,0|1,0,0]=3 11842 B13R1.9 CCCCNCc1ncc(cn1)Br 7a_106832991798_100010064664 [0,2,0,0,0,0|1,0,0]=3 11843 B13R1.9 CCCCNCc1ncc(cn1)C 2230a_100000102301_100000685645 [0,2,0,0,0,0|1,0,0]=3 11844 B13R1.9 CCCCNCc1ncc(cn1)C 7a_106832991798_100000685645 [0,2,0,0,0,0|1,0,0]=3 11845 B13R1.9 CCCCOCc1cc[n+](cc1)C 34a_100009831711_100000210210 [0,2,0,0,0,0|2,0,0]=4 11846 B13R1.9 CCCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210210 [0,2,0,0,0,0|2,0,0]=4 11847 B13R1.9 CCCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210211 [0,2,0,0,0,0|2,0,0]=4 11848 B13R1.9 CCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210210 [0,2,0,0,0,0|2,0,0]=4 11849 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000210227_100000189115 [0,2,0,0,0,0|1,0,0]=3 11850 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000695286_100000210210 [0,2,0,0,0,0|1,0,0]=3 11851 B13R1.9 CCCCOCc1ccc(cc1)Br 7a_100000210227_100011217064 [0,2,0,0,0,0|1,0,0]=3 11852 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100000210227_100000210814 [0,2,0,0,0,0|1,0,0]=3 11853 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100011215236_100000210210 [0,2,0,0,0,0|1,0,0]=3 11854 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100000210227_100000210814 [0,2,0,0,0,0|1,0,0]=3 11855 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100011215236_100000210211 [0,2,0,0,0,0|1,0,0]=3 11856 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000210227_100000694040 [0,2,0,0,0,0|1,0,0]=3 11857 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210210 [0,2,0,0,0,0|1,0,0]=3 11858 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000210227_100000187161 [0,2,0,0,0,0|1,0,0]=3 11859 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210211 [0,2,0,0,0,0|1,0,0]=3 11860 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210227_100000198546 [0,2,0,0,0,0|1,0,0]=3 11861 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210977_100000210210 [0,2,0,0,0,0|1,0,0]=3 11862 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210227_100000198546 [0,2,0,0,0,0|1,0,0]=3 11863 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210977_100000210211 [0,2,0,0,0,0|1,0,0]=3 11864 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000210227_100000189116 [0,2,0,0,0,0|1,0,0]=3 11865 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000690907_100000210210 [0,2,0,0,0,0|1,0,0]=3 11866 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000210227_100000189116 [0,2,0,0,0,0|1,0,0]=3 11867 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000690907_100000210211 [0,2,0,0,0,0|1,0,0]=3 11868 B13R1.9 CCCCOCc1ccc(cc1)N 34a_100011215238_100000210210 [0,2,0,0,0,0|1,0,0]=3 11869 B13R1.9 CCCCOCc1ccc(cn1)Br 34a_100000210227_100000702658 [0,2,0,0,0,0|0,0,0]=2 11870 B13R1.9 CCCCOCc1ccc(cn1)Br 34a_100000754261_100000210210 [0,2,0,0,0,0|0,0,0]=2 11871 B13R1.9 CCCCOCc1ccc(cn1)Br 7a_100000210227_100000702658 [0,2,0,0,0,0|0,0,0]=2 11872 B13R1.9 CCCCOCc1ccc(cn1)C 34a_100000210227_100000691093 [0,2,0,0,0,0|0,0,0]=2 11873 B13R1.9 CCCCOCc1ccc(cn1)C 34a_100012001401_100000210210 [0,2,0,0,0,0|0,0,0]=2 11874 B13R1.9 CCCCOCc1ccc(cn1)C 7a_100000210227_100000691093 [0,2,0,0,0,0|0,0,0]=2 11875 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000210227_100012066911 [0,2,0,0,0,0|0,0,0]=2 11876 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000703999_100000210210 [0,2,0,0,0,0|0,0,0]=2 11877 B13R1.9 CCCCOCc1ccc(cn1)Cl 7a_100000210227_100012066911 [0,2,0,0,0,0|0,0,0]=2 11878 B13R1.9 CCCCOCc1ccc(cn1)F 34a_100000210227_100000703193 [0,2,0,0,0,0|0,0,0]=2 11879 B13R1.9 CCCCOCc1ccc(cn1)F 34a_100011999454_100000210210 [0,2,0,0,0,0|0,0,0]=2 11880 B13R1.9 CCCCOCc1ccc(cn1)F 7a_100000210227_100000703193 [0,2,0,0,0,0|0,0,0]=2 11881 B13R1.9 CCCCOCc1ccc(cn1)N 34a_100011998161_100000210210 [0,2,0,0,0,0|0,0,0]=2 11882 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100000210227_100009831999 [0,2,0,0,0,0|2,0,0]=4 11883 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100009816760_100000210210 [0,2,0,0,0,0|2,0,0]=4 11884 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100000210227_100009831999 [0,2,0,0,0,0|2,0,0]=4 11885 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100009816760_100000210211 [0,2,0,0,0,0|2,0,0]=4 11886 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100000210227_100016987292 [0,2,0,0,0,0|2,0,0]=4 11887 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100011248133_100000210210 [0,2,0,0,0,0|2,0,0]=4 11888 B13R1.9 CCCCOCc1ccc(nc1)C 7a_100000210227_100016987292 [0,2,0,0,0,0|2,0,0]=4 11889 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000210227_100000735431 [0,2,0,0,0,0|2,0,0]=4 11890 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000755211_100000210210 [0,2,0,0,0,0|2,0,0]=4 11891 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000210227_100000735431 [0,2,0,0,0,0|2,0,0]=4 11892 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210211 [0,2,0,0,0,0|2,0,0]=4 11893 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000079959_100000210210 [0,2,0,0,0,0|2,0,0]=4 11894 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000210227_100000099788 [0,2,0,0,0,0|2,0,0]=4 11895 B13R1.9 CCCCOCc1ccc(nc1)F 7a_100000210227_100009820150 [0,2,0,0,0,0|2,0,0]=4 11896 B13R1.9 CCCCOCc1ccc(nc1)N 34a_100000704267_100000210210 [0,2,0,0,0,0|2,0,0]=4 11897 B13R1.9 CCCCOCc1ccc(nn1)Cl 34a_100000210227_100016992710 [0,2,0,0,0,0|1,0,0]=3 11898 B13R1.9 CCCCOCc1ccc(nn1)Cl 7a_100000210227_100016992710 [0,2,0,0,0,0|1,0,0]=3 11899 B13R1.9 CCCCOCc1cnc(cn1)C 34a_100011273949_100000210210 [0,2,0,0,0,0|1,0,0]=3 11900 B13R1.9 CCCCOCc1cnc(cn1)C 7a_100000210227_100000752025 [0,2,0,0,0,0|1,0,0]=3 11901 B13R1.9 CCCCOCc1cnc(cn1)Cl 34a_100012002382_100000210210 [0,2,0,0,0,0|1,0,0]=3 11902 B13R1.9 CCCCOCc1ncc(cn1)Br 34a_100000210227_100010064664 [0,2,0,0,0,0|1,0,0]=3 11903 B13R1.9 CCCCOCc1ncc(cn1)Br 7a_100000210227_100010064664 [0,2,0,0,0,0|1,0,0]=3 11904 B13R1.9 CCCCOCc1ncc(cn1)C 34a_100000210227_100000685645 [0,2,0,0,0,0|1,0,0]=3 11905 B13R1.9 CCCCOCc1ncc(cn1)C 7a_100000210227_100000685645 [0,2,0,0,0,0|1,0,0]=3 11906 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000189115_100000210210 [0,2,0,0,0,0|1,0,0]=3 11907 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000210211_100000189115 [0,2,0,0,0,0|1,0,0]=3 11908 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210211_100000210814 [0,2,0,0,0,0|1,0,0]=3 11909 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210814_100000210210 [0,2,0,0,0,0|1,0,0]=3 11910 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210210 [0,2,0,0,0,0|1,0,0]=3 11911 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000210211_100000187161 [0,2,0,0,0,0|1,0,0]=3 11912 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000198546_100000210210 [0,2,0,0,0,0|1,0,0]=3 11913 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000210211_100000187164 [0,2,0,0,0,0|1,0,0]=3 11914 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000189116_100000210210 [0,2,0,0,0,0|1,0,0]=3 11915 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000210211_100000189116 [0,2,0,0,0,0|1,0,0]=3 11916 B13R1.9 CCCCSCc1ccc(cn1)Br 62a_100000210211_100000702658 [0,2,0,0,0,0|0,0,0]=2 11917 B13R1.9 CCCCSCc1ccc(cn1)Br 62a_100000702658_100000210210 [0,2,0,0,0,0|0,0,0]=2 11918 B13R1.9 CCCCSCc1ccc(cn1)C 62a_100000210211_100000691093 [0,2,0,0,0,0|0,0,0]=2 11919 B13R1.9 CCCCSCc1ccc(cn1)C 62a_100000691093_100000210210 [0,2,0,0,0,0|0,0,0]=2 11920 B13R1.9 CCCCSCc1ccc(cn1)Cl 62a_100000210211_100000697101 [0,2,0,0,0,0|0,0,0]=2 11921 B13R1.9 CCCCSCc1ccc(cn1)Cl 62a_100012066911_100000210210 [0,2,0,0,0,0|0,0,0]=2 11922 B13R1.9 CCCCSCc1ccc(cn1)F 62a_100000210211_100000703193 [0,2,0,0,0,0|0,0,0]=2 11923 B13R1.9 CCCCSCc1ccc(cn1)F 62a_100000703193_100000210210 [0,2,0,0,0,0|0,0,0]=2 11924 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100000210211_100009831999 [0,2,0,0,0,0|2,0,0]=4 11925 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100009831999_100000210210 [0,2,0,0,0,0|2,0,0]=4 11926 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100000210211_100016987292 [0,2,0,0,0,0|2,0,0]=4 11927 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100016987292_100000210210 [0,2,0,0,0,0|2,0,0]=4 11928 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000210211_100000735431 [0,2,0,0,0,0|2,0,0]=4 11929 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000735431_100000210210 [0,2,0,0,0,0|2,0,0]=4 11930 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100000210211_100000099788 [0,2,0,0,0,0|2,0,0]=4 11931 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100009820150_100000210210 [0,2,0,0,0,0|2,0,0]=4 11932 B13R1.9 CCCCSCc1ccc(nn1)Cl 62a_100000210211_100016992710 [0,2,0,0,0,0|1,0,0]=3 11933 B13R1.9 CCCCSCc1ccc(nn1)Cl 62a_100016992710_100000210210 [0,2,0,0,0,0|1,0,0]=3 11934 B13R1.9 CCCCSCc1cnc(cn1)C 62a_100000210211_100000752025 [0,2,0,0,0,0|1,0,0]=3 11935 B13R1.9 CCCCSCc1cnc(cn1)C 62a_100000752025_100000210210 [0,2,0,0,0,0|1,0,0]=3 11936 B13R1.9 CCCCSCc1ncc(cn1)Br 62a_100000210211_100010064664 [0,2,0,0,0,0|1,0,0]=3 11937 B13R1.9 CCCCSCc1ncc(cn1)Br 62a_100010064664_100000210210 [0,2,0,0,0,0|1,0,0]=3 11938 B13R1.9 CCCCSCc1ncc(cn1)C 62a_100000210211_100000685645 [0,2,0,0,0,0|1,0,0]=3 11939 B13R1.9 CCCCSCc1ncc(cn1)C 62a_100000685645_100000210210 [0,2,0,0,0,0|1,0,0]=3 11940 B13R1.9 CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210303 [0,2,0,0,0,0|1,0,0]=3 11941 B13R1.9 CCCNCCc1ccc(cc1)Br 34a_100000755846_100000210303 [0,2,0,0,0,0|1,0,0]=3 11942 B13R1.9 CCCNCCc1ccc(cc1)C 2230a_100000705350_100000210303 [0,2,0,0,0,0|1,0,0]=3 11943 B13R1.9 CCCNCCc1ccc(cc1)C 34a_100000705350_100000210303 [0,2,0,0,0,0|1,0,0]=3 11944 B13R1.9 CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210303 [0,2,0,0,0,0|1,0,0]=3 11945 B13R1.9 CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210303 [0,2,0,0,0,0|1,0,0]=3 11946 B13R1.9 CCCNCCc1ccc(cc1)F 2230a_100000199005_100000210303 [0,2,0,0,0,0|1,0,0]=3 11947 B13R1.9 CCCNCCc1ccc(cc1)F 34a_100000199005_100000210303 [0,2,0,0,0,0|1,0,0]=3 11948 B13R1.9 CCCNCCc1ccc(cc1)O 34a_100000743037_100000210303 [0,2,0,0,0,0|1,0,0]=3 11949 B13R1.9 CCCNN=Cc1ccc(cn1)Br 4a_100000740057_100000754260 [0,2,0,0,0,0|1,0,1]=4 11950 B13R1.9 CCCNN=Cc1ccc(cn1)C 4a_100000740057_100000050478 [0,2,0,0,0,0|1,0,1]=4 11951 B13R1.9 CCCNN=Cc1ccc(cn1)Cl 4a_100000740057_100011361569 [0,2,0,0,0,0|1,0,1]=4 11952 B13R1.9 CCCNN=Cc1ccc(cn1)F 4a_100000740057_100011934744 [0,2,0,0,0,0|1,0,1]=4 11953 B13R1.9 CCCNN=Cc1ccc(cn1)O 4a_100000740057_100000059846 [0,2,0,0,0,0|1,0,1]=4 11954 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000210258_100011740612 [0,2,0,0,0,0|1,0,0]=3 11955 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000766406_100000210303 [0,2,0,0,0,0|1,0,0]=3 11956 B13R1.9 CCCOCCc1ccc(cc1)Br 7a_100000766406_100000210303 [0,2,0,0,0,0|1,0,0]=3 11957 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000210258_100011713686 [0,2,0,0,0,0|1,0,0]=3 11958 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000756670_100000210303 [0,2,0,0,0,0|1,0,0]=3 11959 B13R1.9 CCCOCCc1ccc(cc1)C 7a_100000756670_100000210303 [0,2,0,0,0,0|1,0,0]=3 11960 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100000210258_100011713675 [0,2,0,0,0,0|1,0,0]=3 11961 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210303 [0,2,0,0,0,0|1,0,0]=3 11962 B13R1.9 CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210303 [0,2,0,0,0,0|1,0,0]=3 11963 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000210258_100011217392 [0,2,0,0,0,0|1,0,0]=3 11964 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000754732_100000210303 [0,2,0,0,0,0|1,0,0]=3 11965 B13R1.9 CCCOCCc1ccc(cc1)F 7a_100000754732_100000210303 [0,2,0,0,0,0|1,0,0]=3 11966 B13R1.9 CCCOCCc1ccc(cc1)I 34a_100012291149_100000210303 [0,2,0,0,0,0|1,0,0]=3 11967 B13R1.9 CCCOCCc1ccc(cc1)I 7a_100012291149_100000210303 [0,2,0,0,0,0|1,0,0]=3 11968 B13R1.9 CCCOCCc1ccc(cc1)N 34a_100011204434_100000210303 [0,2,0,0,0,0|1,0,0]=3 11969 B13R1.9 CCCOCCc1ccc(cn1)Br 34a_100012357577_100000210303 [0,2,0,0,0,0|0,0,0]=2 11970 B13R1.9 CCCOCCc1ccc(nc1)C 34a_100011815783_100000210303 [0,2,0,0,0,0|2,0,0]=4 11971 B13R1.9 CCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210303 [0,2,0,0,0,0|2,0,0]=4 11972 B13R1.9 CCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210303 [0,2,0,0,0,0|2,0,0]=4 11973 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100000210303_100011740612 [0,2,0,0,0,0|1,0,0]=3 11974 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100011740612_100000210303 [0,2,0,0,0,0|1,0,0]=3 11975 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100000210303_100011713686 [0,2,0,0,0,0|1,0,0]=3 11976 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100011713686_100000210303 [0,2,0,0,0,0|1,0,0]=3 11977 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100000210303_100011713675 [0,2,0,0,0,0|1,0,0]=3 11978 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210303 [0,2,0,0,0,0|1,0,0]=3 11979 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100000210303_100011217392 [0,2,0,0,0,0|1,0,0]=3 11980 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100011217392_100000210303 [0,2,0,0,0,0|1,0,0]=3 11981 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100000210303_100009816426 [0,2,0,0,0,0|1,0,0]=3 11982 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100009816426_100000210303 [0,2,0,0,0,0|1,0,0]=3 11983 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210202 [0,2,0,0,0,0|1,0,0]=3 11984 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100015525214_100011713682 [0,2,0,0,0,0|1,0,0]=3 11985 B13R1.9 CCNCCCc1ccc(cc1)Br 34a_100011297623_100000210202 [0,2,0,0,0,0|1,0,0]=3 11986 B13R1.9 CCNCCCc1ccc(cc1)C 2230a_100011236272_100000210202 [0,2,0,0,0,0|1,0,0]=3 11987 B13R1.9 CCNCCCc1ccc(cc1)C 34a_100011236272_100000210202 [0,2,0,0,0,0|1,0,0]=3 11988 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210202 [0,2,0,0,0,0|1,0,0]=3 11989 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100015525214_100000759440 [0,2,0,0,0,0|1,0,0]=3 11990 B13R1.9 CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210202 [0,2,0,0,0,0|1,0,0]=3 11991 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100015525214_200011713563 [0,2,0,0,0,0|1,0,0]=3 11992 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100025745824_100000210202 [0,2,0,0,0,0|1,0,0]=3 11993 B13R1.9 CCNCCCc1ccc(cc1)F 34a_100025745824_100000210202 [0,2,0,0,0,0|1,0,0]=3 11994 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100000746992_100000210202 [0,2,0,0,0,0|2,0,0]=4 11995 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100015525214_100000183278 [0,2,0,0,0,0|2,0,0]=4 11996 B13R1.9 CCNCCOc1ccc(cc1)Br 34a_100000746992_100000210202 [0,2,0,0,0,0|2,0,0]=4 11997 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100015525214_100000183172 [0,2,0,0,0,0|2,0,0]=4 11998 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100020666663_100000210202 [0,2,0,0,0,0|2,0,0]=4 11999 B13R1.9 CCNCCOc1ccc(cc1)C 34a_100020666663_100000210202 [0,2,0,0,0,0|2,0,0]=4 12000 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000210202 [0,2,0,0,0,0|2,0,0]=4 12001 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100015525214_100000184122 [0,2,0,0,0,0|2,0,0]=4 12002 B13R1.9 CCNCCOc1ccc(cc1)Cl 34a_100000697975_100000210202 [0,2,0,0,0,0|2,0,0]=4 12003 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100000737420_100000210202 [0,2,0,0,0,0|2,0,0]=4 12004 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100015525214_100000184936 [0,2,0,0,0,0|2,0,0]=4 12005 B13R1.9 CCNCCOc1ccc(cc1)F 34a_100000737420_100000210202 [0,2,0,0,0,0|2,0,0]=4 12006 B13R1.9 CCNCCOc1ccc(cc1)O 271570a_203496583355_100000762749 [0,2,0,0,0,0|2,0,0]=4 12007 B13R1.9 CCNCCSc1ccc(cc1)Br 2230a_100000184645_100000210202 [0,2,0,0,0,0|2,0,0]=4 12008 B13R1.9 CCNCCSc1ccc(cc1)C 2230a_100000739754_100000210202 [0,2,0,0,0,0|2,0,0]=4 12009 B13R1.9 CCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000210202 [0,2,0,0,0,0|2,0,0]=4 12010 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100011709247_100000210202 [0,2,0,0,0,0|1,0,0]=3 12011 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100121572206_100011713682 [0,2,0,0,0,0|1,0,0]=3 12012 B13R1.9 CCOCCCc1ccc(cc1)Br 7a_100011709247_100000210202 [0,2,0,0,0,0|1,0,0]=3 12013 B13R1.9 CCOCCCc1ccc(cc1)C 34a_100000189427_100000210202 [0,2,0,0,0,0|1,0,0]=3 12014 B13R1.9 CCOCCCc1ccc(cc1)C 7a_100000189427_100000210202 [0,2,0,0,0,0|1,0,0]=3 12015 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210202 [0,2,0,0,0,0|1,0,0]=3 12016 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100121572206_100000759440 [0,2,0,0,0,0|1,0,0]=3 12017 B13R1.9 CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210202 [0,2,0,0,0,0|1,0,0]=3 12018 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100000757351_100000210202 [0,2,0,0,0,0|1,0,0]=3 12019 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100121572206_200011713563 [0,2,0,0,0,0|1,0,0]=3 12020 B13R1.9 CCOCCCc1ccc(cc1)F 7a_100000757351_100000210202 [0,2,0,0,0,0|1,0,0]=3 12021 B13R1.9 CCOCCNc1ccc(cc1)Br 2230a_100000210018_100011215890 [0,2,0,0,0,0|2,0,0]=4 12022 B13R1.9 CCOCCNc1ccc(cc1)Br 34a_100000210018_100000210147 [0,2,0,0,0,0|2,0,0]=4 12023 B13R1.9 CCOCCNc1ccc(cc1)C 34a_100000124888_100000210147 [0,2,0,0,0,0|2,0,0]=4 12024 B13R1.9 CCOCCNc1ccc(cc1)Cl 2230a_100000210052_100011215890 [0,2,0,0,0,0|2,0,0]=4 12025 B13R1.9 CCOCCNc1ccc(cc1)Cl 34a_100000210052_100000210147 [0,2,0,0,0,0|2,0,0]=4 12026 B13R1.9 CCOCCNc1ccc(cc1)F 34a_100000185862_100000210147 [0,2,0,0,0,0|2,0,0]=4 12027 B13R1.9 CCOCCNc1ccc(cc1)I 34a_100000185761_100000210147 [0,2,0,0,0,0|2,0,0]=4 12028 B13R1.9 CCOCCNc1ccc(cc1)O 34a_100000185829_100000210147 [0,2,0,0,0,0|2,0,0]=4 12029 B13R1.9 CCOCCNc1ccc(cn1)Br 27a_100011200944_100000686858 [0,2,0,0,0,0|1,0,0]=3 12030 B13R1.9 CCOCCNc1ccc(nn1)C 27a_100011200944_100000744512 [0,2,0,0,0,0|2,0,0]=4 12031 B13R1.9 CCOCCNc1ccc(nn1)Cl 34a_100000767036_100000210202 [0,2,0,0,0,0|2,0,0]=4 12032 B13R1.9 CCOCCNc1cnc(cn1)Br 27a_100011200944_100010187541 [0,2,0,0,0,0|2,0,0]=4 12033 B13R1.9 CCOCCNc1cnc(cn1)C 27a_100011200944_100000074397 [0,2,0,0,0,0|2,0,0]=4 12034 B13R1.9 CCOCCNc1cnc(cn1)F 27a_100011200944_100009856528 [0,2,0,0,0,0|2,0,0]=4 12035 B13R1.9 CCOCCNc1ncc(cn1)Br 27a_100011200944_100000690281 [0,2,0,0,0,0|2,0,0]=4 12036 B13R1.9 CCOCCNc1ncc(cn1)C 27a_100011200944_100000061069 [0,2,0,0,0,0|2,0,0]=4 12037 B13R1.9 CCOCCNc1ncc(cn1)Cl 27a_100011200944_100011356929 [0,2,0,0,0,0|2,0,0]=4 12038 B13R1.9 CCOCCNc1ncc(cn1)F 27a_100011200944_100000685220 [0,2,0,0,0,0|2,0,0]=4 12039 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000185759_100000210147 [0,2,0,0,0,0|2,0,0]=4 12040 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000686261_100000210202 [0,2,0,0,0,0|2,0,0]=4 12041 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100121572206_100000183278 [0,2,0,0,0,0|2,0,0]=4 12042 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000185759_100011215890 [0,2,0,0,0,0|2,0,0]=4 12043 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000686261_100000210202 [0,2,0,0,0,0|2,0,0]=4 12044 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100000210336_100000210147 [0,2,0,0,0,0|2,0,0]=4 12045 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100011219107_100000210202 [0,2,0,0,0,0|2,0,0]=4 12046 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100121572206_100000183172 [0,2,0,0,0,0|2,0,0]=4 12047 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100000210336_100011215890 [0,2,0,0,0,0|2,0,0]=4 12048 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100011219107_100000210202 [0,2,0,0,0,0|2,0,0]=4 12049 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000210216_100000210147 [0,2,0,0,0,0|2,0,0]=4 12050 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000237962_100000210202 [0,2,0,0,0,0|2,0,0]=4 12051 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100121572206_100000184122 [0,2,0,0,0,0|2,0,0]=4 12052 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000210216_100011215890 [0,2,0,0,0,0|2,0,0]=4 12053 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000237962_100000210202 [0,2,0,0,0,0|2,0,0]=4 12054 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100000210339_100000210147 [0,2,0,0,0,0|2,0,0]=4 12055 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100121572206_100000184936 [0,2,0,0,0,0|2,0,0]=4 12056 B13R1.9 CCOCCOc1ccc(cc1)I 34a_100000212066_100000210147 [0,2,0,0,0,0|2,0,0]=4 12057 B13R1.9 CCOCCOc1ccc(cc1)I 7a_100000212066_100011215890 [0,2,0,0,0,0|2,0,0]=4 12058 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000185829_100000210147 [0,2,0,0,0,0|2,0,0]=4 12059 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000754363_100000210202 [0,2,0,0,0,0|2,0,0]=4 12060 B13R1.9 CCOCCOc1ccc(cc1)O 271570a_203496583355_200000169944 [0,2,0,0,0,0|2,0,0]=4 12061 B13R1.9 CCOCCOc1ccc(cn1)C 34a_100000759353_100000210147 [0,2,0,0,0,0|1,0,0]=3 12062 B13R1.9 CCOCCOc1ccc(cn1)Cl 34a_100011215309_100000210147 [0,2,0,0,0,0|1,0,0]=3 12063 B13R1.9 CCOCCOc1ccc(cn1)F 34a_100000742473_100000210147 [0,2,0,0,0,0|1,0,0]=3 12064 B13R1.9 CCOCCOc1ccc(cn1)N 34a_100000729260_100000210147 [0,2,0,0,0,0|1,0,0]=3 12065 B13R1.9 CCOCCOc1ccc(cn1)N 34a_100102662783_100000210202 [0,2,0,0,0,0|1,0,0]=3 12066 B13R1.9 CCOCCOc1cnc(cn1)Br 34a_100011934580_100000210147 [0,2,0,0,0,0|2,0,0]=4 12067 B13R1.9 CCOCCOc1cnc(cn1)Cl 34a_100015839800_100000210147 [0,2,0,0,0,0|2,0,0]=4 12068 B13R1.9 CCOCCOc1ncc(cn1)F 34a_100011934040_100000210147 [0,2,0,0,0,0|2,0,0]=4 12069 B13R1.9 CCOCCSc1ccc(=O)[nH]n1 62a_100000210147_100009820020 [0,2,0,0,0,0|2,0,0]=4 12070 B13R1.9 CCOCCSc1ccc(=O)[nH]n1 62a_100009820020_100011215890 [0,2,0,0,0,0|2,0,0]=4 12071 B13R1.9 CCOCCSc1ccc(cc1)Br 62a_100000210147_100000752885 [0,2,0,0,0,0|2,0,0]=4 12072 B13R1.9 CCOCCSc1ccc(cc1)Br 62a_100000752885_100011215890 [0,2,0,0,0,0|2,0,0]=4 12073 B13R1.9 CCOCCSc1ccc(cc1)C 34a_200000230582_100000210202 [0,2,0,0,0,0|2,0,0]=4 12074 B13R1.9 CCOCCSc1ccc(cc1)C 62a_100000186775_100011215890 [0,2,0,0,0,0|2,0,0]=4 12075 B13R1.9 CCOCCSc1ccc(cc1)C 62a_100000210147_100000186775 [0,2,0,0,0,0|2,0,0]=4 12076 B13R1.9 CCOCCSc1ccc(cc1)C 7a_200000230582_100000210202 [0,2,0,0,0,0|2,0,0]=4 12077 B13R1.9 CCOCCSc1ccc(cc1)Cl 34a_100000230527_100000210202 [0,2,0,0,0,0|2,0,0]=4 12078 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000210147_100000755918 [0,2,0,0,0,0|2,0,0]=4 12079 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000755918_100011215890 [0,2,0,0,0,0|2,0,0]=4 12080 B13R1.9 CCOCCSc1ccc(cc1)Cl 7a_100000230527_100000210202 [0,2,0,0,0,0|2,0,0]=4 12081 B13R1.9 CCOCCSc1ccc(cc1)F 34a_200000230679_100000210202 [0,2,0,0,0,0|2,0,0]=4 12082 B13R1.9 CCOCCSc1ccc(cc1)F 62a_100000210147_100000211213 [0,2,0,0,0,0|2,0,0]=4 12083 B13R1.9 CCOCCSc1ccc(cc1)F 62a_100000211213_100011215890 [0,2,0,0,0,0|2,0,0]=4 12084 B13R1.9 CCOCCSc1ccc(cc1)F 7a_200000230679_100000210202 [0,2,0,0,0,0|2,0,0]=4 12085 B13R1.9 CCOCCSc1ccc(cc1)N 62a_100000185761_100011215890 [0,2,0,0,0,0|2,0,0]=4 12086 B13R1.9 CCOCCSc1ccc(cc1)N 62a_100000210147_100000185761 [0,2,0,0,0,0|2,0,0]=4 12087 B13R1.9 CCOCCSc1ccc(cc1)O 62a_100000210147_100000185759 [0,2,0,0,0,0|2,0,0]=4 12088 B13R1.9 CCOCCSc1ccc(cn1)Br 62a_100000210147_100000686858 [0,2,0,0,0,0|1,0,0]=3 12089 B13R1.9 CCOCCSc1ccc(cn1)Br 62a_100000686858_100011215890 [0,2,0,0,0,0|1,0,0]=3 12090 B13R1.9 CCOCCSc1ccc(cn1)C 62a_100000210147_100000754016 [0,2,0,0,0,0|1,0,0]=3 12091 B13R1.9 CCOCCSc1ccc(cn1)C 62a_100011192072_100011215890 [0,2,0,0,0,0|1,0,0]=3 12092 B13R1.9 CCOCCSc1ccc(cn1)Cl 62a_100000210147_100011356976 [0,2,0,0,0,0|1,0,0]=3 12093 B13R1.9 CCOCCSc1ccc(cn1)Cl 62a_100011356976_100011215890 [0,2,0,0,0,0|1,0,0]=3 12094 B13R1.9 CCOCCSc1ccc(cn1)F 62a_100000210147_100000744514 [0,2,0,0,0,0|1,0,0]=3 12095 B13R1.9 CCOCCSc1ccc(cn1)F 62a_100000744514_100011215890 [0,2,0,0,0,0|1,0,0]=3 12096 B13R1.9 CCOCCSc1ccc(cn1)N 62a_100000210147_100000737798 [0,2,0,0,0,0|1,0,0]=3 12097 B13R1.9 CCOCCSc1ccc(cn1)N 62a_100000737798_100011215890 [0,2,0,0,0,0|1,0,0]=3 12098 B13R1.9 CCOCCSc1ccc(cn1)O 62a_100000210147_100000744096 [0,2,0,0,0,0|1,0,0]=3 12099 B13R1.9 CCOCCSc1ccc(cn1)O 62a_100000685995_100011215890 [0,2,0,0,0,0|1,0,0]=3 12100 B13R1.9 CCOCCSc1ccc(nn1)C 62a_100000210147_100000744512 [0,2,0,0,0,0|2,0,0]=4 12101 B13R1.9 CCOCCSc1ccc(nn1)C 62a_100000744512_100011215890 [0,2,0,0,0,0|2,0,0]=4 12102 B13R1.9 CCOCCSc1ccc(nn1)Cl 62a_100000068654_100011215890 [0,2,0,0,0,0|2,0,0]=4 12103 B13R1.9 CCOCCSc1ccc(nn1)Cl 62a_100000210147_100000068654 [0,2,0,0,0,0|2,0,0]=4 12104 B13R1.9 CCOCCSc1ccc(nn1)Cl 7a_100000215309_100000210202 [0,2,0,0,0,0|2,0,0]=4 12105 B13R1.9 CCOCCSc1ccc(nn1)N 62a_100000210147_100010219413 [0,2,0,0,0,0|2,0,0]=4 12106 B13R1.9 CCOCCSc1ccc(nn1)N 62a_100010219413_100011215890 [0,2,0,0,0,0|2,0,0]=4 12107 B13R1.9 CCOCCSc1cnc(cn1)Br 62a_100000210147_100010187541 [0,2,0,0,0,0|2,0,0]=4 12108 B13R1.9 CCOCCSc1cnc(cn1)Br 62a_100010187541_100011215890 [0,2,0,0,0,0|2,0,0]=4 12109 B13R1.9 CCOCCSc1cnc(cn1)C 62a_100000210147_100011999403 [0,2,0,0,0,0|2,0,0]=4 12110 B13R1.9 CCOCCSc1cnc(cn1)C 62a_100011999403_100011215890 [0,2,0,0,0,0|2,0,0]=4 12111 B13R1.9 CCOCCSc1cnc(cn1)Cl 62a_100000210147_100010214907 [0,2,0,0,0,0|2,0,0]=4 12112 B13R1.9 CCOCCSc1cnc(cn1)Cl 62a_100010214907_100011215890 [0,2,0,0,0,0|2,0,0]=4 12113 B13R1.9 CCOCCSc1cnc(cn1)F 62a_100000210147_100009856528 [0,2,0,0,0,0|2,0,0]=4 12114 B13R1.9 CCOCCSc1cnc(cn1)F 62a_100009856528_100011215890 [0,2,0,0,0,0|2,0,0]=4 12115 B13R1.9 CCOCCSc1cnc(cn1)N 62a_100000210147_100000744751 [0,2,0,0,0,0|2,0,0]=4 12116 B13R1.9 CCOCCSc1cnc(cn1)N 62a_100000744751_100011215890 [0,2,0,0,0,0|2,0,0]=4 12117 B13R1.9 CCOCCSc1cnc(cn1)O 62a_100000210147_100015839800 [0,2,0,0,0,0|2,0,0]=4 12118 B13R1.9 CCOCCSc1cnc(cn1)O 62a_100011934580_100011215890 [0,2,0,0,0,0|2,0,0]=4 12119 B13R1.9 CCOCCSc1ncc(cn1)Br 62a_100000210147_100000690281 [0,2,0,0,0,0|2,0,0]=4 12120 B13R1.9 CCOCCSc1ncc(cn1)Br 62a_100000690281_100011215890 [0,2,0,0,0,0|2,0,0]=4 12121 B13R1.9 CCOCCSc1ncc(cn1)C 62a_100000061069_100011215890 [0,2,0,0,0,0|2,0,0]=4 12122 B13R1.9 CCOCCSc1ncc(cn1)C 62a_100000210147_100000061069 [0,2,0,0,0,0|2,0,0]=4 12123 B13R1.9 CCOCCSc1ncc(cn1)Cl 62a_100000210147_100011356929 [0,2,0,0,0,0|2,0,0]=4 12124 B13R1.9 CCOCCSc1ncc(cn1)Cl 62a_100011356929_100011215890 [0,2,0,0,0,0|2,0,0]=4 12125 B13R1.9 CCOCCSc1ncc(cn1)F 62a_100000210147_100000685220 [0,2,0,0,0,0|2,0,0]=4 12126 B13R1.9 CCOCCSc1ncc(cn1)F 62a_100000685220_100011215890 [0,2,0,0,0,0|2,0,0]=4 12127 B13R1.9 CCOCCSc1ncc(cn1)N 62a_100000068403_100011215890 [0,2,0,0,0,0|2,0,0]=4 12128 B13R1.9 CCOCCSc1ncc(cn1)N 62a_100000210147_100000068403 [0,2,0,0,0,0|2,0,0]=4 12129 B13R1.9 CCOCCSc1ncc(cn1)O 62a_100000210147_100000092845 [0,2,0,0,0,0|2,0,0]=4 12130 B13R1.9 CCOCCSc1ncc(cn1)O 62a_100000730009_100011215890 [0,2,0,0,0,0|2,0,0]=4 12131 B13R1.9 CCOCSCc1ccc(cc1)Br 62a_100000189115_100000739092 [0,2,0,0,0,0|2,0,0]=4 12132 B13R1.9 CCOCSCc1ccc(cc1)Br 62a_100000739092_100000189115 [0,2,0,0,0,0|2,0,0]=4 12133 B13R1.9 CCOCSCc1ccc(cc1)C 62a_100000210814_100000739092 [0,2,0,0,0,0|2,0,0]=4 12134 B13R1.9 CCOCSCc1ccc(cc1)C 62a_100000739092_100000210814 [0,2,0,0,0,0|2,0,0]=4 12135 B13R1.9 CCOCSCc1ccc(cc1)Cl 62a_100000187161_100000739092 [0,2,0,0,0,0|2,0,0]=4 12136 B13R1.9 CCOCSCc1ccc(cc1)Cl 62a_100000739092_100000187161 [0,2,0,0,0,0|2,0,0]=4 12137 B13R1.9 CCOCSCc1ccc(cc1)F 62a_100000198546_100000739092 [0,2,0,0,0,0|2,0,0]=4 12138 B13R1.9 CCOCSCc1ccc(cc1)F 62a_100000739092_100000187164 [0,2,0,0,0,0|2,0,0]=4 12139 B13R1.9 CCOCSCc1ccc(cc1)I 62a_100000189116_100000739092 [0,2,0,0,0,0|2,0,0]=4 12140 B13R1.9 CCOCSCc1ccc(cc1)I 62a_100000739092_100000189116 [0,2,0,0,0,0|2,0,0]=4 12141 B13R1.9 CCOCSCc1ccc(cn1)Br 62a_100000702658_100000739092 [0,2,0,0,0,0|1,0,0]=3 12142 B13R1.9 CCOCSCc1ccc(cn1)Br 62a_100000739092_100000702658 [0,2,0,0,0,0|1,0,0]=3 12143 B13R1.9 CCOCSCc1ccc(cn1)C 62a_100000691093_100000739092 [0,2,0,0,0,0|1,0,0]=3 12144 B13R1.9 CCOCSCc1ccc(cn1)C 62a_100000739092_100000691093 [0,2,0,0,0,0|1,0,0]=3 12145 B13R1.9 CCOCSCc1ccc(cn1)Cl 62a_100000739092_100000697101 [0,2,0,0,0,0|1,0,0]=3 12146 B13R1.9 CCOCSCc1ccc(cn1)Cl 62a_100012066911_100000739092 [0,2,0,0,0,0|1,0,0]=3 12147 B13R1.9 CCOCSCc1ccc(cn1)F 62a_100000703193_100000739092 [0,2,0,0,0,0|1,0,0]=3 12148 B13R1.9 CCOCSCc1ccc(cn1)F 62a_100000739092_100000703193 [0,2,0,0,0,0|1,0,0]=3 12149 B13R1.9 CCOCSCc1ccc(nn1)Cl 62a_100000739092_100016992710 [0,2,0,0,0,0|2,0,0]=4 12150 B13R1.9 CCOCSCc1ccc(nn1)Cl 62a_100016992710_100000739092 [0,2,0,0,0,0|2,0,0]=4 12151 B13R1.9 CCOCSCc1cnc(cn1)C 62a_100000739092_100000752025 [0,2,0,0,0,0|2,0,0]=4 12152 B13R1.9 CCOCSCc1cnc(cn1)C 62a_100000752025_100000739092 [0,2,0,0,0,0|2,0,0]=4 12153 B13R1.9 CCOCSCc1ncc(cn1)Br 62a_100000739092_100010064664 [0,2,0,0,0,0|2,0,0]=4 12154 B13R1.9 CCOCSCc1ncc(cn1)Br 62a_100010064664_100000739092 [0,2,0,0,0,0|2,0,0]=4 12155 B13R1.9 CCOCSCc1ncc(cn1)C 62a_100000685645_100000739092 [0,2,0,0,0,0|2,0,0]=4 12156 B13R1.9 CCOCSCc1ncc(cn1)C 62a_100000739092_100000685645 [0,2,0,0,0,0|2,0,0]=4 12157 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100000210202_100011713682 [0,2,0,0,0,0|1,0,0]=3 12158 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100011713682_100000210202 [0,2,0,0,0,0|1,0,0]=3 12159 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000210202_100000759440 [0,2,0,0,0,0|1,0,0]=3 12160 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210202 [0,2,0,0,0,0|1,0,0]=3 12161 B13R1.9 CCSCCCc1ccc(cc1)F 62a_100000210202_200011713563 [0,2,0,0,0,0|1,0,0]=3 12162 B13R1.9 CCSCCCc1ccc(cc1)F 62a_200011713563_100000210202 [0,2,0,0,0,0|1,0,0]=3 12163 B13R1.9 CCSCCNc1ccc(cc1)Br 2230a_100000210018_100000757381 [0,2,0,0,0,0|2,0,0]=4 12164 B13R1.9 CCSCCNc1ccc(cc1)Br 34a_100000210018_100000757381 [0,2,0,0,0,0|2,0,0]=4 12165 B13R1.9 CCSCCNc1ccc(cc1)C 34a_100000124888_100000757381 [0,2,0,0,0,0|2,0,0]=4 12166 B13R1.9 CCSCCNc1ccc(cc1)Cl 2230a_100000210052_100000757381 [0,2,0,0,0,0|2,0,0]=4 12167 B13R1.9 CCSCCNc1ccc(cc1)Cl 34a_100000210052_100000757381 [0,2,0,0,0,0|2,0,0]=4 12168 B13R1.9 CCSCCNc1ccc(cc1)F 34a_100000185862_100000757381 [0,2,0,0,0,0|2,0,0]=4 12169 B13R1.9 CCSCCNc1ccc(cc1)I 34a_100000185761_100000757381 [0,2,0,0,0,0|2,0,0]=4 12170 B13R1.9 CCSCCNc1ccc(cc1)O 34a_100000185829_100000757381 [0,2,0,0,0,0|2,0,0]=4 12171 B13R1.9 CCSCCNc1ccc(cn1)Br 27a_100000106463_100000686858 [0,2,0,0,0,0|1,0,0]=3 12172 B13R1.9 CCSCCNc1ccc(nn1)C 27a_100000106463_100000744512 [0,2,0,0,0,0|2,0,0]=4 12173 B13R1.9 CCSCCNc1cnc(cn1)Br 27a_100000106463_100010187541 [0,2,0,0,0,0|2,0,0]=4 12174 B13R1.9 CCSCCNc1cnc(cn1)C 27a_100000106463_100000074397 [0,2,0,0,0,0|2,0,0]=4 12175 B13R1.9 CCSCCNc1cnc(cn1)F 27a_100000106463_100009856528 [0,2,0,0,0,0|2,0,0]=4 12176 B13R1.9 CCSCCNc1ncc(cn1)Br 27a_100000106463_100000690281 [0,2,0,0,0,0|2,0,0]=4 12177 B13R1.9 CCSCCNc1ncc(cn1)C 27a_100000106463_100000061069 [0,2,0,0,0,0|2,0,0]=4 12178 B13R1.9 CCSCCNc1ncc(cn1)Cl 27a_100000106463_100011356929 [0,2,0,0,0,0|2,0,0]=4 12179 B13R1.9 CCSCCNc1ncc(cn1)F 27a_100000106463_100000685220 [0,2,0,0,0,0|2,0,0]=4 12180 B13R1.9 CCSCCOc1ccc(cc1)Br 34a_100000185759_100000757381 [0,2,0,0,0,0|2,0,0]=4 12181 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000183278_100000210202 [0,2,0,0,0,0|2,0,0]=4 12182 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000210202_100000183278 [0,2,0,0,0,0|2,0,0]=4 12183 B13R1.9 CCSCCOc1ccc(cc1)Br 7a_100000185759_100000757381 [0,2,0,0,0,0|2,0,0]=4 12184 B13R1.9 CCSCCOc1ccc(cc1)C 34a_100000210336_100000757381 [0,2,0,0,0,0|2,0,0]=4 12185 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000183172_100000210202 [0,2,0,0,0,0|2,0,0]=4 12186 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000210202_100000183172 [0,2,0,0,0,0|2,0,0]=4 12187 B13R1.9 CCSCCOc1ccc(cc1)C 7a_100000210336_100000757381 [0,2,0,0,0,0|2,0,0]=4 12188 B13R1.9 CCSCCOc1ccc(cc1)Cl 34a_100000210216_100000757381 [0,2,0,0,0,0|2,0,0]=4 12189 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000184122_100000210202 [0,2,0,0,0,0|2,0,0]=4 12190 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000210202_100000184122 [0,2,0,0,0,0|2,0,0]=4 12191 B13R1.9 CCSCCOc1ccc(cc1)Cl 7a_100000210216_100000757381 [0,2,0,0,0,0|2,0,0]=4 12192 B13R1.9 CCSCCOc1ccc(cc1)F 34a_100000210339_100000757381 [0,2,0,0,0,0|2,0,0]=4 12193 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000184936_100000210202 [0,2,0,0,0,0|2,0,0]=4 12194 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000210202_100000184936 [0,2,0,0,0,0|2,0,0]=4 12195 B13R1.9 CCSCCOc1ccc(cc1)I 34a_100000212066_100000757381 [0,2,0,0,0,0|2,0,0]=4 12196 B13R1.9 CCSCCOc1ccc(cc1)I 7a_100000212066_100000757381 [0,2,0,0,0,0|2,0,0]=4 12197 B13R1.9 CCSCCOc1ccc(cc1)N 34a_100000185829_100000757381 [0,2,0,0,0,0|2,0,0]=4 12198 B13R1.9 CCSCCOc1ccc(cn1)C 34a_100000759353_100000757381 [0,2,0,0,0,0|1,0,0]=3 12199 B13R1.9 CCSCCOc1ccc(cn1)Cl 34a_100011215309_100000757381 [0,2,0,0,0,0|1,0,0]=3 12200 B13R1.9 CCSCCOc1ccc(cn1)F 34a_100000742473_100000757381 [0,2,0,0,0,0|1,0,0]=3 12201 B13R1.9 CCSCCOc1ccc(cn1)N 34a_100000729260_100000757381 [0,2,0,0,0,0|1,0,0]=3 12202 B13R1.9 CCSCCOc1cnc(cn1)Br 34a_100011934580_100000757381 [0,2,0,0,0,0|2,0,0]=4 12203 B13R1.9 CCSCCOc1cnc(cn1)Cl 34a_100015839800_100000757381 [0,2,0,0,0,0|2,0,0]=4 12204 B13R1.9 CCSCCOc1ncc(cn1)F 34a_100011934040_100000757381 [0,2,0,0,0,0|2,0,0]=4 12205 B13R1.9 CCSCCSc1ccc(=O)[nH]n1 62a_100000757381_100009820020 [0,2,0,0,0,0|2,0,0]=4 12206 B13R1.9 CCSCCSc1ccc(=O)[nH]n1 62a_100009820020_100000757381 [0,2,0,0,0,0|2,0,0]=4 12207 B13R1.9 CCSCCSc1ccc(cc1)Br 62a_100000752885_100000757381 [0,2,0,0,0,0|2,0,0]=4 12208 B13R1.9 CCSCCSc1ccc(cc1)Br 62a_100000757381_100000752885 [0,2,0,0,0,0|2,0,0]=4 12209 B13R1.9 CCSCCSc1ccc(cc1)C 62a_100000186775_100000757381 [0,2,0,0,0,0|2,0,0]=4 12210 B13R1.9 CCSCCSc1ccc(cc1)C 62a_100000757381_100000186775 [0,2,0,0,0,0|2,0,0]=4 12211 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000755918_100000757381 [0,2,0,0,0,0|2,0,0]=4 12212 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000757381_100000755918 [0,2,0,0,0,0|2,0,0]=4 12213 B13R1.9 CCSCCSc1ccc(cc1)F 62a_100000211213_100000757381 [0,2,0,0,0,0|2,0,0]=4 12214 B13R1.9 CCSCCSc1ccc(cc1)F 62a_100000757381_100000211213 [0,2,0,0,0,0|2,0,0]=4 12215 B13R1.9 CCSCCSc1ccc(cc1)N 62a_100000185761_100000757381 [0,2,0,0,0,0|2,0,0]=4 12216 B13R1.9 CCSCCSc1ccc(cc1)N 62a_100000757381_100000185761 [0,2,0,0,0,0|2,0,0]=4 12217 B13R1.9 CCSCCSc1ccc(cc1)O 62a_100000757381_100000185759 [0,2,0,0,0,0|2,0,0]=4 12218 B13R1.9 CCSCCSc1ccc(cn1)Br 62a_100000686858_100000757381 [0,2,0,0,0,0|1,0,0]=3 12219 B13R1.9 CCSCCSc1ccc(cn1)Br 62a_100000757381_100000686858 [0,2,0,0,0,0|1,0,0]=3 12220 B13R1.9 CCSCCSc1ccc(cn1)C 62a_100000757381_100000754016 [0,2,0,0,0,0|1,0,0]=3 12221 B13R1.9 CCSCCSc1ccc(cn1)C 62a_100011192072_100000757381 [0,2,0,0,0,0|1,0,0]=3 12222 B13R1.9 CCSCCSc1ccc(cn1)Cl 62a_100000757381_100011356976 [0,2,0,0,0,0|1,0,0]=3 12223 B13R1.9 CCSCCSc1ccc(cn1)Cl 62a_100011356976_100000757381 [0,2,0,0,0,0|1,0,0]=3 12224 B13R1.9 CCSCCSc1ccc(cn1)F 62a_100000744514_100000757381 [0,2,0,0,0,0|1,0,0]=3 12225 B13R1.9 CCSCCSc1ccc(cn1)F 62a_100000757381_100000744514 [0,2,0,0,0,0|1,0,0]=3 12226 B13R1.9 CCSCCSc1ccc(cn1)N 62a_100000737798_100000757381 [0,2,0,0,0,0|1,0,0]=3 12227 B13R1.9 CCSCCSc1ccc(cn1)N 62a_100000757381_100000737798 [0,2,0,0,0,0|1,0,0]=3 12228 B13R1.9 CCSCCSc1ccc(cn1)O 62a_100000685995_100000757381 [0,2,0,0,0,0|1,0,0]=3 12229 B13R1.9 CCSCCSc1ccc(cn1)O 62a_100000757381_100000744096 [0,2,0,0,0,0|1,0,0]=3 12230 B13R1.9 CCSCCSc1ccc(nn1)C 62a_100000744512_100000757381 [0,2,0,0,0,0|2,0,0]=4 12231 B13R1.9 CCSCCSc1ccc(nn1)C 62a_100000757381_100000744512 [0,2,0,0,0,0|2,0,0]=4 12232 B13R1.9 CCSCCSc1ccc(nn1)Cl 62a_100000068654_100000757381 [0,2,0,0,0,0|2,0,0]=4 12233 B13R1.9 CCSCCSc1ccc(nn1)Cl 62a_100000757381_100000068654 [0,2,0,0,0,0|2,0,0]=4 12234 B13R1.9 CCSCCSc1ccc(nn1)N 62a_100000757381_100010219413 [0,2,0,0,0,0|2,0,0]=4 12235 B13R1.9 CCSCCSc1ccc(nn1)N 62a_100010219413_100000757381 [0,2,0,0,0,0|2,0,0]=4 12236 B13R1.9 CCSCCSc1cnc(cn1)Br 62a_100000757381_100010187541 [0,2,0,0,0,0|2,0,0]=4 12237 B13R1.9 CCSCCSc1cnc(cn1)Br 62a_100010187541_100000757381 [0,2,0,0,0,0|2,0,0]=4 12238 B13R1.9 CCSCCSc1cnc(cn1)C 62a_100000757381_100011999403 [0,2,0,0,0,0|2,0,0]=4 12239 B13R1.9 CCSCCSc1cnc(cn1)C 62a_100011999403_100000757381 [0,2,0,0,0,0|2,0,0]=4 12240 B13R1.9 CCSCCSc1cnc(cn1)Cl 62a_100000757381_100010214907 [0,2,0,0,0,0|2,0,0]=4 12241 B13R1.9 CCSCCSc1cnc(cn1)Cl 62a_100010214907_100000757381 [0,2,0,0,0,0|2,0,0]=4 12242 B13R1.9 CCSCCSc1cnc(cn1)F 62a_100000757381_100009856528 [0,2,0,0,0,0|2,0,0]=4 12243 B13R1.9 CCSCCSc1cnc(cn1)F 62a_100009856528_100000757381 [0,2,0,0,0,0|2,0,0]=4 12244 B13R1.9 CCSCCSc1cnc(cn1)N 62a_100000744751_100000757381 [0,2,0,0,0,0|2,0,0]=4 12245 B13R1.9 CCSCCSc1cnc(cn1)N 62a_100000757381_100000744751 [0,2,0,0,0,0|2,0,0]=4 12246 B13R1.9 CCSCCSc1cnc(cn1)O 62a_100000757381_100015839800 [0,2,0,0,0,0|2,0,0]=4 12247 B13R1.9 CCSCCSc1cnc(cn1)O 62a_100011934580_100000757381 [0,2,0,0,0,0|2,0,0]=4 12248 B13R1.9 CCSCCSc1ncc(cn1)Br 62a_100000690281_100000757381 [0,2,0,0,0,0|2,0,0]=4 12249 B13R1.9 CCSCCSc1ncc(cn1)Br 62a_100000757381_100000690281 [0,2,0,0,0,0|2,0,0]=4 12250 B13R1.9 CCSCCSc1ncc(cn1)C 62a_100000061069_100000757381 [0,2,0,0,0,0|2,0,0]=4 12251 B13R1.9 CCSCCSc1ncc(cn1)C 62a_100000757381_100000061069 [0,2,0,0,0,0|2,0,0]=4 12252 B13R1.9 CCSCCSc1ncc(cn1)Cl 62a_100000757381_100011356929 [0,2,0,0,0,0|2,0,0]=4 12253 B13R1.9 CCSCCSc1ncc(cn1)Cl 62a_100011356929_100000757381 [0,2,0,0,0,0|2,0,0]=4 12254 B13R1.9 CCSCCSc1ncc(cn1)F 62a_100000685220_100000757381 [0,2,0,0,0,0|2,0,0]=4 12255 B13R1.9 CCSCCSc1ncc(cn1)F 62a_100000757381_100000685220 [0,2,0,0,0,0|2,0,0]=4 12256 B13R1.9 CCSCCSc1ncc(cn1)N 62a_100000068403_100000757381 [0,2,0,0,0,0|2,0,0]=4 12257 B13R1.9 CCSCCSc1ncc(cn1)N 62a_100000757381_100000068403 [0,2,0,0,0,0|2,0,0]=4 12258 B13R1.9 CCSCCSc1ncc(cn1)O 62a_100000730009_100000757381 [0,2,0,0,0,0|2,0,0]=4 12259 B13R1.9 CCSCCSc1ncc(cn1)O 62a_100000757381_100000092845 [0,2,0,0,0,0|2,0,0]=4 12260 B13R1.9 CNCCCCc1ccc(cc1)Br 2230a_106832991635_200012094861 [0,2,0,0,0,0|1,0,0]=3 12261 B13R1.9 CNCCCCc1ccc(cc1)Br 34a_100102657272_200012094861 [0,2,0,0,0,0|1,0,0]=3 12262 B13R1.9 CNCCCCc1ccc(cc1)Br 7a_106832991635_200012094861 [0,2,0,0,0,0|1,0,0]=3 12263 B13R1.9 CNCCCCc1ccc(cc1)Cl 2230a_100160821348_200000210301 [0,2,0,0,0,0|1,0,0]=3 12264 B13R1.9 CNCCCCc1ccc(cc1)Cl 34a_100160821348_200000210301 [0,2,0,0,0,0|1,0,0]=3 12265 B13R1.9 CNCCCCc1ccc(cc1)F 2230a_106832991635_100012093538 [0,2,0,0,0,0|1,0,0]=3 12266 B13R1.9 CNCCCCc1ccc(cc1)F 34a_100102657272_100012093538 [0,2,0,0,0,0|1,0,0]=3 12267 B13R1.9 CNCCCCc1ccc(cc1)F 7a_106832991635_100012093538 [0,2,0,0,0,0|1,0,0]=3 12268 B13R1.9 CNCCCOc1ccc(cc1)Br 2230a_106832991635_100011259224 [0,2,0,0,0,0|2,0,0]=4 12269 B13R1.9 CNCCCOc1ccc(cc1)Br 34a_100102657272_100011259224 [0,2,0,0,0,0|2,0,0]=4 12270 B13R1.9 CNCCCOc1ccc(cc1)Br 7a_106832991635_100011259224 [0,2,0,0,0,0|2,0,0]=4 12271 B13R1.9 CNCCCOc1ccc(cc1)C 34a_100000747266_200000210301 [0,2,0,0,0,0|2,0,0]=4 12272 B13R1.9 CNCCCOc1ccc(cc1)Cl 2230a_200011199081_200000210301 [0,2,0,0,0,0|2,0,0]=4 12273 B13R1.9 CNCCCOc1ccc(cc1)Cl 34a_200011199081_200000210301 [0,2,0,0,0,0|2,0,0]=4 12274 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_100000747263_200000210301 [0,2,0,0,0,0|2,0,0]=4 12275 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_106832991635_100000181347 [0,2,0,0,0,0|2,0,0]=4 12276 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100000747263_200000210301 [0,2,0,0,0,0|2,0,0]=4 12277 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100102657272_100000181347 [0,2,0,0,0,0|2,0,0]=4 12278 B13R1.9 CNCCCOc1ccc(cc1)F 7a_106832991635_100000181347 [0,2,0,0,0,0|2,0,0]=4 12279 B13R1.9 CNCCCOc1ccc(cc1)O 271570a_203496583355_100102699777 [0,2,0,0,0,0|2,0,0]=4 12280 B13R1.9 CNCCCSc1ccc(cc1)Cl 2230a_100000189518_200000210301 [0,2,0,0,0,0|2,0,0]=4 12281 B13R1.9 CNCCCSc1ccc(cc1)F 2230a_100000683907_200000210301 [0,2,0,0,0,0|2,0,0]=4 12282 B13R1.9 CNCCOCc1ccc(cc1)Cl 2230a_100000189180_200000210301 [0,2,0,0,0,0|2,0,0]=4 12283 B13R1.9 CNCCOCc1ccc(cc1)Cl 34a_100000189180_200000210301 [0,2,0,0,0,0|2,0,0]=4 12284 B13R1.9 CNCCSCc1ccc(cc1)Cl 2230a_100000739548_200000210301 [0,2,0,0,0,0|2,0,0]=4 12285 B13R1.9 CNCCSCc1ccc(cc1)Cl 34a_100000739548_200000210301 [0,2,0,0,0,0|2,0,0]=4 12286 B13R1.9 CNCCSCc1ccc(cc1)Cl 7a_100000739548_200000210301 [0,2,0,0,0,0|2,0,0]=4 12287 B13R1.9 CNCCSCc1ccc(cc1)F 2230a_100020610864_200000210301 [0,2,0,0,0,0|2,0,0]=4 12288 B13R1.9 CNCCSCc1ccc(cc1)F 34a_100020610864_200000210301 [0,2,0,0,0,0|2,0,0]=4 12289 B13R1.9 CNCCSCc1ccc(cc1)F 7a_100020610864_200000210301 [0,2,0,0,0,0|2,0,0]=4 12290 B13R1.9 COCCCCc1ccc(cc1)Br 34a_100138415774_200012094861 [0,2,0,0,0,0|1,0,0]=3 12291 B13R1.9 COCCCCc1ccc(cc1)F 34a_100138415774_100012093538 [0,2,0,0,0,0|1,0,0]=3 12292 B13R1.9 COCCCNc1ccc(cc1)Br 2230a_100000210018_100000740836 [0,2,0,0,0,0|2,0,0]=4 12293 B13R1.9 COCCCNc1ccc(cc1)Br 34a_100000210018_100000740836 [0,2,0,0,0,0|2,0,0]=4 12294 B13R1.9 COCCCNc1ccc(cc1)C 34a_100000124888_100000740836 [0,2,0,0,0,0|2,0,0]=4 12295 B13R1.9 COCCCNc1ccc(cc1)Cl 2230a_100000210052_100000740836 [0,2,0,0,0,0|2,0,0]=4 12296 B13R1.9 COCCCNc1ccc(cc1)Cl 34a_100000210052_100000740836 [0,2,0,0,0,0|2,0,0]=4 12297 B13R1.9 COCCCNc1ccc(cc1)F 34a_100000185862_100000740836 [0,2,0,0,0,0|2,0,0]=4 12298 B13R1.9 COCCCNc1ccc(cc1)I 34a_100000185761_100000740836 [0,2,0,0,0,0|2,0,0]=4 12299 B13R1.9 COCCCNc1ccc(cc1)O 34a_100000185829_100000740836 [0,2,0,0,0,0|2,0,0]=4 12300 B13R1.9 COCCCNc1ccc(cn1)Br 27a_100150723488_100000686858 [0,2,0,0,0,0|1,0,0]=3 12301 B13R1.9 COCCCNc1ccc(nn1)C 27a_100150723488_100000744512 [0,2,0,0,0,0|2,0,0]=4 12302 B13R1.9 COCCCNc1ccc(nn1)O 271570a_203496583355_200011264859 [0,2,0,0,0,0|2,0,0]=4 12303 B13R1.9 COCCCNc1cnc(cn1)Br 27a_100150723488_100010187541 [0,2,0,0,0,0|2,0,0]=4 12304 B13R1.9 COCCCNc1cnc(cn1)C 27a_100150723488_100000074397 [0,2,0,0,0,0|2,0,0]=4 12305 B13R1.9 COCCCNc1cnc(cn1)F 27a_100150723488_100009856528 [0,2,0,0,0,0|2,0,0]=4 12306 B13R1.9 COCCCNc1ncc(cn1)Br 27a_100150723488_100000690281 [0,2,0,0,0,0|2,0,0]=4 12307 B13R1.9 COCCCNc1ncc(cn1)C 27a_100150723488_100000061069 [0,2,0,0,0,0|2,0,0]=4 12308 B13R1.9 COCCCNc1ncc(cn1)Cl 27a_100150723488_100011356929 [0,2,0,0,0,0|2,0,0]=4 12309 B13R1.9 COCCCNc1ncc(cn1)F 27a_100150723488_100000685220 [0,2,0,0,0,0|2,0,0]=4 12310 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000185759_100000740836 [0,2,0,0,0,0|2,0,0]=4 12311 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000756186_200000210301 [0,2,0,0,0,0|2,0,0]=4 12312 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100138415774_100011259224 [0,2,0,0,0,0|2,0,0]=4 12313 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000185759_100000740836 [0,2,0,0,0,0|2,0,0]=4 12314 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000756186_200000210301 [0,2,0,0,0,0|2,0,0]=4 12315 B13R1.9 COCCCOc1ccc(cc1)C 34a_100000210336_100000740836 [0,2,0,0,0,0|2,0,0]=4 12316 B13R1.9 COCCCOc1ccc(cc1)C 7a_100000210336_100000740836 [0,2,0,0,0,0|2,0,0]=4 12317 B13R1.9 COCCCOc1ccc(cc1)Cl 34a_100000210216_100000740836 [0,2,0,0,0,0|2,0,0]=4 12318 B13R1.9 COCCCOc1ccc(cc1)Cl 7a_100000210216_100000740836 [0,2,0,0,0,0|2,0,0]=4 12319 B13R1.9 COCCCOc1ccc(cc1)F 34a_100000210339_100000740836 [0,2,0,0,0,0|2,0,0]=4 12320 B13R1.9 COCCCOc1ccc(cc1)F 34a_100138415774_100000181347 [0,2,0,0,0,0|2,0,0]=4 12321 B13R1.9 COCCCOc1ccc(cc1)I 34a_100000212066_100000740836 [0,2,0,0,0,0|2,0,0]=4 12322 B13R1.9 COCCCOc1ccc(cc1)I 7a_100000212066_100000740836 [0,2,0,0,0,0|2,0,0]=4 12323 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000185829_100000740836 [0,2,0,0,0,0|2,0,0]=4 12324 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000730458_200000210301 [0,2,0,0,0,0|2,0,0]=4 12325 B13R1.9 COCCCOc1ccc(cc1)O 271570a_203496583355_200011326559 [0,2,0,0,0,0|2,0,0]=4 12326 B13R1.9 COCCCOc1ccc(cn1)C 34a_100000759353_100000740836 [0,2,0,0,0,0|1,0,0]=3 12327 B13R1.9 COCCCOc1ccc(cn1)Cl 34a_100011215309_100000740836 [0,2,0,0,0,0|1,0,0]=3 12328 B13R1.9 COCCCOc1ccc(cn1)F 34a_100000742473_100000740836 [0,2,0,0,0,0|1,0,0]=3 12329 B13R1.9 COCCCOc1ccc(cn1)N 34a_100000729260_100000740836 [0,2,0,0,0,0|1,0,0]=3 12330 B13R1.9 COCCCOc1cnc(cn1)Br 34a_100011934580_100000740836 [0,2,0,0,0,0|2,0,0]=4 12331 B13R1.9 COCCCOc1cnc(cn1)Cl 34a_100015839800_100000740836 [0,2,0,0,0,0|2,0,0]=4 12332 B13R1.9 COCCCOc1ncc(cn1)F 34a_100011934040_100000740836 [0,2,0,0,0,0|2,0,0]=4 12333 B13R1.9 COCCCSc1ccc(=O)[nH]n1 62a_100000709357_100009820020 [0,2,0,0,0,0|2,0,0]=4 12334 B13R1.9 COCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000709357 [0,2,0,0,0,0|2,0,0]=4 12335 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000709357_100000752885 [0,2,0,0,0,0|2,0,0]=4 12336 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000752885_100000709357 [0,2,0,0,0,0|2,0,0]=4 12337 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000186775_100000709357 [0,2,0,0,0,0|2,0,0]=4 12338 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000709357_100000186775 [0,2,0,0,0,0|2,0,0]=4 12339 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000709357_100000755918 [0,2,0,0,0,0|2,0,0]=4 12340 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000755918_100000709357 [0,2,0,0,0,0|2,0,0]=4 12341 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000211213_100000709357 [0,2,0,0,0,0|2,0,0]=4 12342 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000709357_100000211213 [0,2,0,0,0,0|2,0,0]=4 12343 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000185761_100000709357 [0,2,0,0,0,0|2,0,0]=4 12344 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000709357_100000185761 [0,2,0,0,0,0|2,0,0]=4 12345 B13R1.9 COCCCSc1ccc(cc1)O 62a_100000709357_100000185759 [0,2,0,0,0,0|2,0,0]=4 12346 B13R1.9 COCCCSc1ccc(cn1)Br 62a_100000686858_100000709357 [0,2,0,0,0,0|1,0,0]=3 12347 B13R1.9 COCCCSc1ccc(cn1)Br 62a_100000709357_100000686858 [0,2,0,0,0,0|1,0,0]=3 12348 B13R1.9 COCCCSc1ccc(cn1)C 62a_100000709357_100000754016 [0,2,0,0,0,0|1,0,0]=3 12349 B13R1.9 COCCCSc1ccc(cn1)C 62a_100011192072_100000709357 [0,2,0,0,0,0|1,0,0]=3 12350 B13R1.9 COCCCSc1ccc(cn1)Cl 62a_100000709357_100011356976 [0,2,0,0,0,0|1,0,0]=3 12351 B13R1.9 COCCCSc1ccc(cn1)Cl 62a_100011356976_100000709357 [0,2,0,0,0,0|1,0,0]=3 12352 B13R1.9 COCCCSc1ccc(cn1)F 62a_100000709357_100000744514 [0,2,0,0,0,0|1,0,0]=3 12353 B13R1.9 COCCCSc1ccc(cn1)F 62a_100000744514_100000709357 [0,2,0,0,0,0|1,0,0]=3 12354 B13R1.9 COCCCSc1ccc(cn1)N 62a_100000709357_100000737798 [0,2,0,0,0,0|1,0,0]=3 12355 B13R1.9 COCCCSc1ccc(cn1)N 62a_100000737798_100000709357 [0,2,0,0,0,0|1,0,0]=3 12356 B13R1.9 COCCCSc1ccc(cn1)O 62a_100000685995_100000709357 [0,2,0,0,0,0|1,0,0]=3 12357 B13R1.9 COCCCSc1ccc(cn1)O 62a_100000709357_100000744096 [0,2,0,0,0,0|1,0,0]=3 12358 B13R1.9 COCCCSc1ccc(nn1)C 62a_100000709357_100000744512 [0,2,0,0,0,0|2,0,0]=4 12359 B13R1.9 COCCCSc1ccc(nn1)C 62a_100000744512_100000709357 [0,2,0,0,0,0|2,0,0]=4 12360 B13R1.9 COCCCSc1ccc(nn1)Cl 62a_100000068654_100000709357 [0,2,0,0,0,0|2,0,0]=4 12361 B13R1.9 COCCCSc1ccc(nn1)Cl 62a_100000709357_100000068654 [0,2,0,0,0,0|2,0,0]=4 12362 B13R1.9 COCCCSc1ccc(nn1)N 62a_100000709357_100010219413 [0,2,0,0,0,0|2,0,0]=4 12363 B13R1.9 COCCCSc1ccc(nn1)N 62a_100010219413_100000709357 [0,2,0,0,0,0|2,0,0]=4 12364 B13R1.9 COCCCSc1cnc(cn1)Br 62a_100000709357_100010187541 [0,2,0,0,0,0|2,0,0]=4 12365 B13R1.9 COCCCSc1cnc(cn1)Br 62a_100010187541_100000709357 [0,2,0,0,0,0|2,0,0]=4 12366 B13R1.9 COCCCSc1cnc(cn1)C 62a_100000709357_100011999403 [0,2,0,0,0,0|2,0,0]=4 12367 B13R1.9 COCCCSc1cnc(cn1)C 62a_100011999403_100000709357 [0,2,0,0,0,0|2,0,0]=4 12368 B13R1.9 COCCCSc1cnc(cn1)Cl 62a_100000709357_100010214907 [0,2,0,0,0,0|2,0,0]=4 12369 B13R1.9 COCCCSc1cnc(cn1)Cl 62a_100010214907_100000709357 [0,2,0,0,0,0|2,0,0]=4 12370 B13R1.9 COCCCSc1cnc(cn1)F 62a_100000709357_100009856528 [0,2,0,0,0,0|2,0,0]=4 12371 B13R1.9 COCCCSc1cnc(cn1)F 62a_100009856528_100000709357 [0,2,0,0,0,0|2,0,0]=4 12372 B13R1.9 COCCCSc1cnc(cn1)N 62a_100000709357_100000744751 [0,2,0,0,0,0|2,0,0]=4 12373 B13R1.9 COCCCSc1cnc(cn1)N 62a_100000744751_100000709357 [0,2,0,0,0,0|2,0,0]=4 12374 B13R1.9 COCCCSc1cnc(cn1)O 62a_100000709357_100015839800 [0,2,0,0,0,0|2,0,0]=4 12375 B13R1.9 COCCCSc1cnc(cn1)O 62a_100011934580_100000709357 [0,2,0,0,0,0|2,0,0]=4 12376 B13R1.9 COCCCSc1ncc(cn1)Br 62a_100000690281_100000709357 [0,2,0,0,0,0|2,0,0]=4 12377 B13R1.9 COCCCSc1ncc(cn1)Br 62a_100000709357_100000690281 [0,2,0,0,0,0|2,0,0]=4 12378 B13R1.9 COCCCSc1ncc(cn1)C 62a_100000061069_100000709357 [0,2,0,0,0,0|2,0,0]=4 12379 B13R1.9 COCCCSc1ncc(cn1)C 62a_100000709357_100000061069 [0,2,0,0,0,0|2,0,0]=4 12380 B13R1.9 COCCCSc1ncc(cn1)Cl 62a_100000709357_100011356929 [0,2,0,0,0,0|2,0,0]=4 12381 B13R1.9 COCCCSc1ncc(cn1)Cl 62a_100011356929_100000709357 [0,2,0,0,0,0|2,0,0]=4 12382 B13R1.9 COCCCSc1ncc(cn1)F 62a_100000685220_100000709357 [0,2,0,0,0,0|2,0,0]=4 12383 B13R1.9 COCCCSc1ncc(cn1)F 62a_100000709357_100000685220 [0,2,0,0,0,0|2,0,0]=4 12384 B13R1.9 COCCCSc1ncc(cn1)N 62a_100000068403_100000709357 [0,2,0,0,0,0|2,0,0]=4 12385 B13R1.9 COCCCSc1ncc(cn1)N 62a_100000709357_100000068403 [0,2,0,0,0,0|2,0,0]=4 12386 B13R1.9 COCCCSc1ncc(cn1)O 62a_100000709357_100000092845 [0,2,0,0,0,0|2,0,0]=4 12387 B13R1.9 COCCCSc1ncc(cn1)O 62a_100000730009_100000709357 [0,2,0,0,0,0|2,0,0]=4 12388 B13R1.9 COCCNCc1ccc(=O)[nH]n1 207a_100000209980_100011361533 [0,2,0,0,0,0|2,0,0]=4 12389 B13R1.9 COCCNCc1ccc(=O)[nH]n1 270004a_100000209980_100011361533 [0,2,0,0,0,0|2,0,0]=4 12390 B13R1.9 COCCNCc1ccc(cc1)Br 207a_100000209980_100000186029 [0,2,0,0,0,0|2,0,0]=4 12391 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000174875_100011201679 [0,2,0,0,0,0|2,0,0]=4 12392 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000209980_100011217064 [0,2,0,0,0,0|2,0,0]=4 12393 B13R1.9 COCCNCc1ccc(cc1)Br 270004a_100000209980_100000186029 [0,2,0,0,0,0|2,0,0]=4 12394 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000174875_100011201679 [0,2,0,0,0,0|2,0,0]=4 12395 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 12396 B13R1.9 COCCNCc1ccc(cc1)C 207a_100000209980_100000211033 [0,2,0,0,0,0|2,0,0]=4 12397 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000174908_100011201679 [0,2,0,0,0,0|2,0,0]=4 12398 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000209980_100000210814 [0,2,0,0,0,0|2,0,0]=4 12399 B13R1.9 COCCNCc1ccc(cc1)C 270004a_100000209980_100000211033 [0,2,0,0,0,0|2,0,0]=4 12400 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000174908_100011201679 [0,2,0,0,0,0|2,0,0]=4 12401 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 12402 B13R1.9 COCCNCc1ccc(cc1)Cl 207a_100000209980_100000189385 [0,2,0,0,0,0|2,0,0]=4 12403 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000174871_100011201679 [0,2,0,0,0,0|2,0,0]=4 12404 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000209980_100000694040 [0,2,0,0,0,0|2,0,0]=4 12405 B13R1.9 COCCNCc1ccc(cc1)Cl 270004a_100000209980_100000189385 [0,2,0,0,0,0|2,0,0]=4 12406 B13R1.9 COCCNCc1ccc(cc1)Cl 34a_100000174871_100011201679 [0,2,0,0,0,0|2,0,0]=4 12407 B13R1.9 COCCNCc1ccc(cc1)F 207a_100000209980_100000210084 [0,2,0,0,0,0|2,0,0]=4 12408 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000174882_100011201679 [0,2,0,0,0,0|2,0,0]=4 12409 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000209980_100000198546 [0,2,0,0,0,0|2,0,0]=4 12410 B13R1.9 COCCNCc1ccc(cc1)F 270004a_100000209980_100000210084 [0,2,0,0,0,0|2,0,0]=4 12411 B13R1.9 COCCNCc1ccc(cc1)F 34a_100000174882_100011201679 [0,2,0,0,0,0|2,0,0]=4 12412 B13R1.9 COCCNCc1ccc(cc1)F 34a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 12413 B13R1.9 COCCNCc1ccc(cc1)I 207a_100000209980_100000188517 [0,2,0,0,0,0|2,0,0]=4 12414 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100000209980_100000189116 [0,2,0,0,0,0|2,0,0]=4 12415 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100016989417_100011201679 [0,2,0,0,0,0|2,0,0]=4 12416 B13R1.9 COCCNCc1ccc(cc1)I 34a_100016989417_100011201679 [0,2,0,0,0,0|2,0,0]=4 12417 B13R1.9 COCCNCc1ccc(cc1)O 271570a_203496583355_100015187160 [0,2,0,0,0,0|2,0,0]=4 12418 B13R1.9 COCCNCc1ccc(cc1)O 34a_100000185549_100011201679 [0,2,0,0,0,0|2,0,0]=4 12419 B13R1.9 COCCNCc1ccc(cn1)Br 207a_100000209980_100000754260 [0,2,0,0,0,0|1,0,0]=3 12420 B13R1.9 COCCNCc1ccc(cn1)Br 2230a_100000209980_100000702658 [0,2,0,0,0,0|1,0,0]=3 12421 B13R1.9 COCCNCc1ccc(cn1)Br 270004a_100000209980_100000754260 [0,2,0,0,0,0|1,0,0]=3 12422 B13R1.9 COCCNCc1ccc(cn1)Br 34a_100015188789_100011201679 [0,2,0,0,0,0|1,0,0]=3 12423 B13R1.9 COCCNCc1ccc(cn1)C 207a_100000209980_100000050478 [0,2,0,0,0,0|1,0,0]=3 12424 B13R1.9 COCCNCc1ccc(cn1)C 2230a_100000209980_100000691093 [0,2,0,0,0,0|1,0,0]=3 12425 B13R1.9 COCCNCc1ccc(cn1)C 270004a_100000209980_100000050478 [0,2,0,0,0,0|1,0,0]=3 12426 B13R1.9 COCCNCc1ccc(cn1)C 34a_100015187455_100011201679 [0,2,0,0,0,0|1,0,0]=3 12427 B13R1.9 COCCNCc1ccc(cn1)Cl 207a_100000209980_100011361569 [0,2,0,0,0,0|1,0,0]=3 12428 B13R1.9 COCCNCc1ccc(cn1)Cl 2230a_100000209980_100012066911 [0,2,0,0,0,0|1,0,0]=3 12429 B13R1.9 COCCNCc1ccc(cn1)Cl 270004a_100000209980_100011361569 [0,2,0,0,0,0|1,0,0]=3 12430 B13R1.9 COCCNCc1ccc(cn1)Cl 34a_100000697193_100011201679 [0,2,0,0,0,0|1,0,0]=3 12431 B13R1.9 COCCNCc1ccc(cn1)F 207a_100000209980_100011934744 [0,2,0,0,0,0|1,0,0]=3 12432 B13R1.9 COCCNCc1ccc(cn1)F 2230a_100000209980_100000703193 [0,2,0,0,0,0|1,0,0]=3 12433 B13R1.9 COCCNCc1ccc(cn1)F 270004a_100000209980_100011934744 [0,2,0,0,0,0|1,0,0]=3 12434 B13R1.9 COCCNCc1ccc(cn1)F 34a_100020620131_100011201679 [0,2,0,0,0,0|1,0,0]=3 12435 B13R1.9 COCCNCc1ccc(nn1)Cl 2230a_100000209980_100016992710 [0,2,0,0,0,0|2,0,0]=4 12436 B13R1.9 COCCNCc1ccc(nn1)Cl 270004a_100000209980_100000044651 [0,2,0,0,0,0|2,0,0]=4 12437 B13R1.9 COCCNCc1cnc(cn1)C 2230a_100000209980_100000752025 [0,2,0,0,0,0|2,0,0]=4 12438 B13R1.9 COCCNCc1cnc(cn1)C 270004a_100000209980_100000685221 [0,2,0,0,0,0|2,0,0]=4 12439 B13R1.9 COCCNCc1cnc(cn1)C 34a_100132314150_100011201679 [0,2,0,0,0,0|2,0,0]=4 12440 B13R1.9 COCCNCc1cnc(cn1)Cl 270004a_100000209980_100012001714 [0,2,0,0,0,0|2,0,0]=4 12441 B13R1.9 COCCNCc1ncc(cn1)C 2230a_100000209980_100000685645 [0,2,0,0,0,0|2,0,0]=4 12442 B13R1.9 COCCOCc1ccc(cc1)Br 34a_100000210237_100000189115 [0,2,0,0,0,0|2,0,0]=4 12443 B13R1.9 COCCOCc1ccc(cc1)Br 34a_100000695286_100011201679 [0,2,0,0,0,0|2,0,0]=4 12444 B13R1.9 COCCOCc1ccc(cc1)C 34a_100000210237_100000210814 [0,2,0,0,0,0|2,0,0]=4 12445 B13R1.9 COCCOCc1ccc(cc1)C 34a_100011215236_100011201679 [0,2,0,0,0,0|2,0,0]=4 12446 B13R1.9 COCCOCc1ccc(cc1)C 7a_100011215236_100000233755 [0,2,0,0,0,0|2,0,0]=4 12447 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000210237_100000694040 [0,2,0,0,0,0|2,0,0]=4 12448 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000211118_100011201679 [0,2,0,0,0,0|2,0,0]=4 12449 B13R1.9 COCCOCc1ccc(cc1)Cl 7a_100000211118_100000233755 [0,2,0,0,0,0|2,0,0]=4 12450 B13R1.9 COCCOCc1ccc(cc1)F 34a_100000210237_100000198546 [0,2,0,0,0,0|2,0,0]=4 12451 B13R1.9 COCCOCc1ccc(cc1)F 34a_100000210977_100011201679 [0,2,0,0,0,0|2,0,0]=4 12452 B13R1.9 COCCOCc1ccc(cc1)F 7a_100000210977_100000233755 [0,2,0,0,0,0|2,0,0]=4 12453 B13R1.9 COCCOCc1ccc(cc1)I 34a_100000210237_100000189116 [0,2,0,0,0,0|2,0,0]=4 12454 B13R1.9 COCCOCc1ccc(cc1)I 34a_100000690907_100011201679 [0,2,0,0,0,0|2,0,0]=4 12455 B13R1.9 COCCOCc1ccc(cc1)I 7a_100000690907_100000233755 [0,2,0,0,0,0|2,0,0]=4 12456 B13R1.9 COCCOCc1ccc(cc1)N 34a_100011215238_100011201679 [0,2,0,0,0,0|2,0,0]=4 12457 B13R1.9 COCCOCc1ccc(cc1)O 271570a_203496583355_100000755069 [0,2,0,0,0,0|2,0,0]=4 12458 B13R1.9 COCCOCc1ccc(cn1)Br 34a_100000210237_100000702658 [0,2,0,0,0,0|1,0,0]=3 12459 B13R1.9 COCCOCc1ccc(cn1)Br 34a_100000754261_100011201679 [0,2,0,0,0,0|1,0,0]=3 12460 B13R1.9 COCCOCc1ccc(cn1)C 34a_100000210237_100000691093 [0,2,0,0,0,0|1,0,0]=3 12461 B13R1.9 COCCOCc1ccc(cn1)C 34a_100012001401_100011201679 [0,2,0,0,0,0|1,0,0]=3 12462 B13R1.9 COCCOCc1ccc(cn1)Cl 34a_100000210237_100012066911 [0,2,0,0,0,0|1,0,0]=3 12463 B13R1.9 COCCOCc1ccc(cn1)Cl 34a_100000703999_100011201679 [0,2,0,0,0,0|1,0,0]=3 12464 B13R1.9 COCCOCc1ccc(cn1)F 34a_100000210237_100000703193 [0,2,0,0,0,0|1,0,0]=3 12465 B13R1.9 COCCOCc1ccc(cn1)F 34a_100011999454_100011201679 [0,2,0,0,0,0|1,0,0]=3 12466 B13R1.9 COCCOCc1ccc(cn1)N 34a_100011998161_100011201679 [0,2,0,0,0,0|1,0,0]=3 12467 B13R1.9 COCCOCc1ccc(nn1)Cl 34a_100000210237_100016992710 [0,2,0,0,0,0|2,0,0]=4 12468 B13R1.9 COCCOCc1cnc(cn1)C 34a_100011273949_100011201679 [0,2,0,0,0,0|2,0,0]=4 12469 B13R1.9 COCCOCc1cnc(cn1)Cl 34a_100012002382_100011201679 [0,2,0,0,0,0|2,0,0]=4 12470 B13R1.9 COCCOCc1ncc(cn1)Br 34a_100000210237_100010064664 [0,2,0,0,0,0|2,0,0]=4 12471 B13R1.9 COCCOCc1ncc(cn1)C 34a_100000210237_100000685645 [0,2,0,0,0,0|2,0,0]=4 12472 B13R1.9 COCCSCc1ccc(cc1)Br 62a_100000189115_100000233755 [0,2,0,0,0,0|2,0,0]=4 12473 B13R1.9 COCCSCc1ccc(cc1)Br 62a_100000233755_100000189115 [0,2,0,0,0,0|2,0,0]=4 12474 B13R1.9 COCCSCc1ccc(cc1)C 34a_100011212911_200000210301 [0,2,0,0,0,0|2,0,0]=4 12475 B13R1.9 COCCSCc1ccc(cc1)C 62a_100000210814_100000233755 [0,2,0,0,0,0|2,0,0]=4 12476 B13R1.9 COCCSCc1ccc(cc1)C 62a_100000233755_100000210814 [0,2,0,0,0,0|2,0,0]=4 12477 B13R1.9 COCCSCc1ccc(cc1)C 7a_100011212911_200000210301 [0,2,0,0,0,0|2,0,0]=4 12478 B13R1.9 COCCSCc1ccc(cc1)Cl 34a_200000186141_200000210301 [0,2,0,0,0,0|2,0,0]=4 12479 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000187161_100000233755 [0,2,0,0,0,0|2,0,0]=4 12480 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000233755_100000187161 [0,2,0,0,0,0|2,0,0]=4 12481 B13R1.9 COCCSCc1ccc(cc1)Cl 7a_200000186141_200000210301 [0,2,0,0,0,0|2,0,0]=4 12482 B13R1.9 COCCSCc1ccc(cc1)F 62a_100000198546_100000233755 [0,2,0,0,0,0|2,0,0]=4 12483 B13R1.9 COCCSCc1ccc(cc1)F 62a_100000233755_100000187164 [0,2,0,0,0,0|2,0,0]=4 12484 B13R1.9 COCCSCc1ccc(cc1)I 62a_100000189116_100000233755 [0,2,0,0,0,0|2,0,0]=4 12485 B13R1.9 COCCSCc1ccc(cc1)I 62a_100000233755_100000189116 [0,2,0,0,0,0|2,0,0]=4 12486 B13R1.9 COCCSCc1ccc(cn1)Br 62a_100000233755_100000702658 [0,2,0,0,0,0|1,0,0]=3 12487 B13R1.9 COCCSCc1ccc(cn1)Br 62a_100000702658_100000233755 [0,2,0,0,0,0|1,0,0]=3 12488 B13R1.9 COCCSCc1ccc(cn1)C 62a_100000233755_100000691093 [0,2,0,0,0,0|1,0,0]=3 12489 B13R1.9 COCCSCc1ccc(cn1)C 62a_100000691093_100000233755 [0,2,0,0,0,0|1,0,0]=3 12490 B13R1.9 COCCSCc1ccc(cn1)Cl 62a_100000233755_100000697101 [0,2,0,0,0,0|1,0,0]=3 12491 B13R1.9 COCCSCc1ccc(cn1)Cl 62a_100012066911_100000233755 [0,2,0,0,0,0|1,0,0]=3 12492 B13R1.9 COCCSCc1ccc(cn1)F 62a_100000233755_100000703193 [0,2,0,0,0,0|1,0,0]=3 12493 B13R1.9 COCCSCc1ccc(cn1)F 62a_100000703193_100000233755 [0,2,0,0,0,0|1,0,0]=3 12494 B13R1.9 COCCSCc1ccc(nn1)Cl 62a_100000233755_100016992710 [0,2,0,0,0,0|2,0,0]=4 12495 B13R1.9 COCCSCc1ccc(nn1)Cl 62a_100016992710_100000233755 [0,2,0,0,0,0|2,0,0]=4 12496 B13R1.9 COCCSCc1cnc(cn1)C 62a_100000233755_100000752025 [0,2,0,0,0,0|2,0,0]=4 12497 B13R1.9 COCCSCc1cnc(cn1)C 62a_100000752025_100000233755 [0,2,0,0,0,0|2,0,0]=4 12498 B13R1.9 COCCSCc1ncc(cn1)Br 62a_100000233755_100010064664 [0,2,0,0,0,0|2,0,0]=4 12499 B13R1.9 COCCSCc1ncc(cn1)Br 62a_100010064664_100000233755 [0,2,0,0,0,0|2,0,0]=4 12500 B13R1.9 COCCSCc1ncc(cn1)C 62a_100000233755_100000685645 [0,2,0,0,0,0|2,0,0]=4 12501 B13R1.9 COCCSCc1ncc(cn1)C 62a_100000685645_100000233755 [0,2,0,0,0,0|2,0,0]=4 12502 B13R1.9 COCNCCc1ccc(cc1)Br 2230a_100000755846_100000766300 [0,2,0,0,0,0|2,0,0]=4 12503 B13R1.9 COCNCCc1ccc(cc1)C 2230a_100000705350_100000766300 [0,2,0,0,0,0|2,0,0]=4 12504 B13R1.9 COCNCCc1ccc(cc1)Cl 2230a_100000185265_100000766300 [0,2,0,0,0,0|2,0,0]=4 12505 B13R1.9 COCNCCc1ccc(cc1)F 2230a_100000199005_100000766300 [0,2,0,0,0,0|2,0,0]=4 12506 B13R1.9 COCSCCc1ccc(cc1)Br 62a_100000766300_100011740612 [0,2,0,0,0,0|2,0,0]=4 12507 B13R1.9 COCSCCc1ccc(cc1)Br 62a_100011740612_100000766300 [0,2,0,0,0,0|2,0,0]=4 12508 B13R1.9 COCSCCc1ccc(cc1)C 62a_100000766300_100011713686 [0,2,0,0,0,0|2,0,0]=4 12509 B13R1.9 COCSCCc1ccc(cc1)C 62a_100011713686_100000766300 [0,2,0,0,0,0|2,0,0]=4 12510 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100000766300_100011713675 [0,2,0,0,0,0|2,0,0]=4 12511 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100011713675_100000766300 [0,2,0,0,0,0|2,0,0]=4 12512 B13R1.9 COCSCCc1ccc(cc1)F 62a_100000766300_100011217392 [0,2,0,0,0,0|2,0,0]=4 12513 B13R1.9 COCSCCc1ccc(cc1)F 62a_100011217392_100000766300 [0,2,0,0,0,0|2,0,0]=4 12514 B13R1.9 COCSCCc1ccc(cc1)O 62a_100000766300_100009816426 [0,2,0,0,0,0|2,0,0]=4 12515 B13R1.9 COCSCCc1ccc(cc1)O 62a_100009816426_100000766300 [0,2,0,0,0,0|2,0,0]=4 12516 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200000210301_200012094861 [0,2,0,0,0,0|1,0,0]=3 12517 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200012094861_200000210301 [0,2,0,0,0,0|1,0,0]=3 12518 B13R1.9 CSCCCCc1ccc(cc1)F 62a_100012093538_200000210301 [0,2,0,0,0,0|1,0,0]=3 12519 B13R1.9 CSCCCCc1ccc(cc1)F 62a_200000210301_100012093538 [0,2,0,0,0,0|1,0,0]=3 12520 B13R1.9 CSCCCNc1ccc(cn1)Br 27a_100000749238_100000686858 [0,2,0,0,0,0|1,0,0]=3 12521 B13R1.9 CSCCCNc1ccc(nn1)C 27a_100000749238_100000744512 [0,2,0,0,0,0|2,0,0]=4 12522 B13R1.9 CSCCCNc1cnc(cn1)Br 27a_100000749238_100010187541 [0,2,0,0,0,0|2,0,0]=4 12523 B13R1.9 CSCCCNc1cnc(cn1)C 27a_100000749238_100000074397 [0,2,0,0,0,0|2,0,0]=4 12524 B13R1.9 CSCCCNc1cnc(cn1)F 27a_100000749238_100009856528 [0,2,0,0,0,0|2,0,0]=4 12525 B13R1.9 CSCCCNc1ncc(cn1)Br 27a_100000749238_100000690281 [0,2,0,0,0,0|2,0,0]=4 12526 B13R1.9 CSCCCNc1ncc(cn1)C 27a_100000749238_100000061069 [0,2,0,0,0,0|2,0,0]=4 12527 B13R1.9 CSCCCNc1ncc(cn1)Cl 27a_100000749238_100011356929 [0,2,0,0,0,0|2,0,0]=4 12528 B13R1.9 CSCCCNc1ncc(cn1)F 27a_100000749238_100000685220 [0,2,0,0,0,0|2,0,0]=4 12529 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_100011259224_200000210301 [0,2,0,0,0,0|2,0,0]=4 12530 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_200000210301_100011259224 [0,2,0,0,0,0|2,0,0]=4 12531 B13R1.9 CSCCCOc1ccc(cc1)F 62a_100000181347_200000210301 [0,2,0,0,0,0|2,0,0]=4 12532 B13R1.9 CSCCCOc1ccc(cc1)F 62a_200000210301_100000181347 [0,2,0,0,0,0|2,0,0]=4 12533 B13R1.9 CSCCNCc1ccc(=O)[nH]n1 207a_100020590264_100011361533 [0,2,0,0,0,0|2,0,0]=4 12534 B13R1.9 CSCCNCc1ccc(=O)[nH]n1 270004a_100020590264_100011361533 [0,2,0,0,0,0|2,0,0]=4 12535 B13R1.9 CSCCNCc1ccc(cc1)Br 207a_100020590264_100000186029 [0,2,0,0,0,0|2,0,0]=4 12536 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100000174875_100000751147 [0,2,0,0,0,0|2,0,0]=4 12537 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100020590264_100011217064 [0,2,0,0,0,0|2,0,0]=4 12538 B13R1.9 CSCCNCc1ccc(cc1)Br 270004a_100020590264_100000186029 [0,2,0,0,0,0|2,0,0]=4 12539 B13R1.9 CSCCNCc1ccc(cc1)Br 34a_100000174875_100000212216 [0,2,0,0,0,0|2,0,0]=4 12540 B13R1.9 CSCCNCc1ccc(cc1)C 207a_100020590264_100000211033 [0,2,0,0,0,0|2,0,0]=4 12541 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100000174908_100000751147 [0,2,0,0,0,0|2,0,0]=4 12542 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100020590264_100000210814 [0,2,0,0,0,0|2,0,0]=4 12543 B13R1.9 CSCCNCc1ccc(cc1)C 270004a_100020590264_100000211033 [0,2,0,0,0,0|2,0,0]=4 12544 B13R1.9 CSCCNCc1ccc(cc1)C 34a_100000174908_100000212216 [0,2,0,0,0,0|2,0,0]=4 12545 B13R1.9 CSCCNCc1ccc(cc1)Cl 207a_100020590264_100000189385 [0,2,0,0,0,0|2,0,0]=4 12546 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100000174871_100000751147 [0,2,0,0,0,0|2,0,0]=4 12547 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100020590264_100000694040 [0,2,0,0,0,0|2,0,0]=4 12548 B13R1.9 CSCCNCc1ccc(cc1)Cl 270004a_100020590264_100000189385 [0,2,0,0,0,0|2,0,0]=4 12549 B13R1.9 CSCCNCc1ccc(cc1)Cl 34a_100000174871_100000212216 [0,2,0,0,0,0|2,0,0]=4 12550 B13R1.9 CSCCNCc1ccc(cc1)F 207a_100020590264_100000210084 [0,2,0,0,0,0|2,0,0]=4 12551 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100000174882_100000751147 [0,2,0,0,0,0|2,0,0]=4 12552 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100020590264_100000198546 [0,2,0,0,0,0|2,0,0]=4 12553 B13R1.9 CSCCNCc1ccc(cc1)F 270004a_100020590264_100000210084 [0,2,0,0,0,0|2,0,0]=4 12554 B13R1.9 CSCCNCc1ccc(cc1)F 34a_100000174882_100000212216 [0,2,0,0,0,0|2,0,0]=4 12555 B13R1.9 CSCCNCc1ccc(cc1)I 207a_100020590264_100000188517 [0,2,0,0,0,0|2,0,0]=4 12556 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100016989417_100000751147 [0,2,0,0,0,0|2,0,0]=4 12557 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100020590264_100000189116 [0,2,0,0,0,0|2,0,0]=4 12558 B13R1.9 CSCCNCc1ccc(cc1)I 34a_100016989417_100000212216 [0,2,0,0,0,0|2,0,0]=4 12559 B13R1.9 CSCCNCc1ccc(cc1)O 34a_100000185549_100000212216 [0,2,0,0,0,0|2,0,0]=4 12560 B13R1.9 CSCCNCc1ccc(cn1)Br 207a_100020590264_100000754260 [0,2,0,0,0,0|1,0,0]=3 12561 B13R1.9 CSCCNCc1ccc(cn1)Br 2230a_100020590264_100000702658 [0,2,0,0,0,0|1,0,0]=3 12562 B13R1.9 CSCCNCc1ccc(cn1)Br 270004a_100020590264_100000754260 [0,2,0,0,0,0|1,0,0]=3 12563 B13R1.9 CSCCNCc1ccc(cn1)Br 34a_100015188789_100000212216 [0,2,0,0,0,0|1,0,0]=3 12564 B13R1.9 CSCCNCc1ccc(cn1)C 207a_100020590264_100000050478 [0,2,0,0,0,0|1,0,0]=3 12565 B13R1.9 CSCCNCc1ccc(cn1)C 2230a_100020590264_100000691093 [0,2,0,0,0,0|1,0,0]=3 12566 B13R1.9 CSCCNCc1ccc(cn1)C 270004a_100020590264_100000050478 [0,2,0,0,0,0|1,0,0]=3 12567 B13R1.9 CSCCNCc1ccc(cn1)C 34a_100015187455_100000212216 [0,2,0,0,0,0|1,0,0]=3 12568 B13R1.9 CSCCNCc1ccc(cn1)Cl 207a_100020590264_100011361569 [0,2,0,0,0,0|1,0,0]=3 12569 B13R1.9 CSCCNCc1ccc(cn1)Cl 2230a_100020590264_100012066911 [0,2,0,0,0,0|1,0,0]=3 12570 B13R1.9 CSCCNCc1ccc(cn1)Cl 270004a_100020590264_100011361569 [0,2,0,0,0,0|1,0,0]=3 12571 B13R1.9 CSCCNCc1ccc(cn1)Cl 34a_100000697193_100000212216 [0,2,0,0,0,0|1,0,0]=3 12572 B13R1.9 CSCCNCc1ccc(cn1)F 207a_100020590264_100011934744 [0,2,0,0,0,0|1,0,0]=3 12573 B13R1.9 CSCCNCc1ccc(cn1)F 2230a_100020590264_100000703193 [0,2,0,0,0,0|1,0,0]=3 12574 B13R1.9 CSCCNCc1ccc(cn1)F 270004a_100020590264_100011934744 [0,2,0,0,0,0|1,0,0]=3 12575 B13R1.9 CSCCNCc1ccc(cn1)F 34a_100020620131_100000212216 [0,2,0,0,0,0|1,0,0]=3 12576 B13R1.9 CSCCNCc1ccc(nn1)Cl 2230a_100020590264_100016992710 [0,2,0,0,0,0|2,0,0]=4 12577 B13R1.9 CSCCNCc1ccc(nn1)Cl 270004a_100020590264_100000044651 [0,2,0,0,0,0|2,0,0]=4 12578 B13R1.9 CSCCNCc1cnc(cn1)C 2230a_100020590264_100000752025 [0,2,0,0,0,0|2,0,0]=4 12579 B13R1.9 CSCCNCc1cnc(cn1)C 270004a_100020590264_100000685221 [0,2,0,0,0,0|2,0,0]=4 12580 B13R1.9 CSCCNCc1cnc(cn1)C 34a_100132314150_100000212216 [0,2,0,0,0,0|2,0,0]=4 12581 B13R1.9 CSCCNCc1cnc(cn1)Cl 270004a_100020590264_100012001714 [0,2,0,0,0,0|2,0,0]=4 12582 B13R1.9 CSCCNCc1ncc(cn1)C 2230a_100020590264_100000685645 [0,2,0,0,0,0|2,0,0]=4 12583 B13R1.9 CSCCOCc1ccc(cc1)Br 34a_100000230434_100000189115 [0,2,0,0,0,0|2,0,0]=4 12584 B13R1.9 CSCCOCc1ccc(cc1)Br 34a_100000695286_100000212216 [0,2,0,0,0,0|2,0,0]=4 12585 B13R1.9 CSCCOCc1ccc(cc1)Br 7a_100000230434_100011217064 [0,2,0,0,0,0|2,0,0]=4 12586 B13R1.9 CSCCOCc1ccc(cc1)C 34a_100000230434_100000210814 [0,2,0,0,0,0|2,0,0]=4 12587 B13R1.9 CSCCOCc1ccc(cc1)C 34a_100011215236_100000212216 [0,2,0,0,0,0|2,0,0]=4 12588 B13R1.9 CSCCOCc1ccc(cc1)C 7a_100000230434_100000210814 [0,2,0,0,0,0|2,0,0]=4 12589 B13R1.9 CSCCOCc1ccc(cc1)C 7a_100011215236_100000212216 [0,2,0,0,0,0|2,0,0]=4 12590 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000211118_100000212216 [0,2,0,0,0,0|2,0,0]=4 12591 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000230434_100000694040 [0,2,0,0,0,0|2,0,0]=4 12592 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000211118_100000212216 [0,2,0,0,0,0|2,0,0]=4 12593 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000230434_100000187161 [0,2,0,0,0,0|2,0,0]=4 12594 B13R1.9 CSCCOCc1ccc(cc1)F 34a_100000210977_100000212216 [0,2,0,0,0,0|2,0,0]=4 12595 B13R1.9 CSCCOCc1ccc(cc1)F 34a_100000230434_100000198546 [0,2,0,0,0,0|2,0,0]=4 12596 B13R1.9 CSCCOCc1ccc(cc1)F 7a_100000210977_100000212216 [0,2,0,0,0,0|2,0,0]=4 12597 B13R1.9 CSCCOCc1ccc(cc1)F 7a_100000230434_100000198546 [0,2,0,0,0,0|2,0,0]=4 12598 B13R1.9 CSCCOCc1ccc(cc1)I 34a_100000230434_100000189116 [0,2,0,0,0,0|2,0,0]=4 12599 B13R1.9 CSCCOCc1ccc(cc1)I 34a_100000690907_100000212216 [0,2,0,0,0,0|2,0,0]=4 12600 B13R1.9 CSCCOCc1ccc(cc1)I 7a_100000230434_100000189116 [0,2,0,0,0,0|2,0,0]=4 12601 B13R1.9 CSCCOCc1ccc(cc1)I 7a_100000690907_100000212216 [0,2,0,0,0,0|2,0,0]=4 12602 B13R1.9 CSCCOCc1ccc(cc1)N 34a_100011215238_100000212216 [0,2,0,0,0,0|2,0,0]=4 12603 B13R1.9 CSCCOCc1ccc(cn1)Br 34a_100000230434_100000702658 [0,2,0,0,0,0|1,0,0]=3 12604 B13R1.9 CSCCOCc1ccc(cn1)Br 34a_100000754261_100000212216 [0,2,0,0,0,0|1,0,0]=3 12605 B13R1.9 CSCCOCc1ccc(cn1)Br 7a_100000230434_100000702658 [0,2,0,0,0,0|1,0,0]=3 12606 B13R1.9 CSCCOCc1ccc(cn1)C 34a_100000230434_100000691093 [0,2,0,0,0,0|1,0,0]=3 12607 B13R1.9 CSCCOCc1ccc(cn1)C 34a_100012001401_100000212216 [0,2,0,0,0,0|1,0,0]=3 12608 B13R1.9 CSCCOCc1ccc(cn1)C 7a_100000230434_100000691093 [0,2,0,0,0,0|1,0,0]=3 12609 B13R1.9 CSCCOCc1ccc(cn1)Cl 34a_100000230434_100012066911 [0,2,0,0,0,0|1,0,0]=3 12610 B13R1.9 CSCCOCc1ccc(cn1)Cl 34a_100000703999_100000212216 [0,2,0,0,0,0|1,0,0]=3 12611 B13R1.9 CSCCOCc1ccc(cn1)Cl 7a_100000230434_100012066911 [0,2,0,0,0,0|1,0,0]=3 12612 B13R1.9 CSCCOCc1ccc(cn1)F 34a_100000230434_100000703193 [0,2,0,0,0,0|1,0,0]=3 12613 B13R1.9 CSCCOCc1ccc(cn1)F 34a_100011999454_100000212216 [0,2,0,0,0,0|1,0,0]=3 12614 B13R1.9 CSCCOCc1ccc(cn1)F 7a_100000230434_100000703193 [0,2,0,0,0,0|1,0,0]=3 12615 B13R1.9 CSCCOCc1ccc(cn1)N 34a_100011998161_100000212216 [0,2,0,0,0,0|1,0,0]=3 12616 B13R1.9 CSCCOCc1ccc(nn1)Cl 34a_100000230434_100016992710 [0,2,0,0,0,0|2,0,0]=4 12617 B13R1.9 CSCCOCc1ccc(nn1)Cl 7a_100000230434_100016992710 [0,2,0,0,0,0|2,0,0]=4 12618 B13R1.9 CSCCOCc1cnc(cn1)C 34a_100011273949_100000212216 [0,2,0,0,0,0|2,0,0]=4 12619 B13R1.9 CSCCOCc1cnc(cn1)C 7a_100000230434_100000752025 [0,2,0,0,0,0|2,0,0]=4 12620 B13R1.9 CSCCOCc1cnc(cn1)Cl 34a_100012002382_100000212216 [0,2,0,0,0,0|2,0,0]=4 12621 B13R1.9 CSCCOCc1ncc(cn1)Br 34a_100000230434_100010064664 [0,2,0,0,0,0|2,0,0]=4 12622 B13R1.9 CSCCOCc1ncc(cn1)Br 7a_100000230434_100010064664 [0,2,0,0,0,0|2,0,0]=4 12623 B13R1.9 CSCCOCc1ncc(cn1)C 34a_100000230434_100000685645 [0,2,0,0,0,0|2,0,0]=4 12624 B13R1.9 CSCCOCc1ncc(cn1)C 7a_100000230434_100000685645 [0,2,0,0,0,0|2,0,0]=4 12625 B13R1.9 CSCCSCc1ccc(cc1)Br 62a_100000189115_100000751147 [0,2,0,0,0,0|2,0,0]=4 12626 B13R1.9 CSCCSCc1ccc(cc1)Br 62a_100000212216_100000189115 [0,2,0,0,0,0|2,0,0]=4 12627 B13R1.9 CSCCSCc1ccc(cc1)C 62a_100000210814_100000751147 [0,2,0,0,0,0|2,0,0]=4 12628 B13R1.9 CSCCSCc1ccc(cc1)C 62a_100000212216_100000210814 [0,2,0,0,0,0|2,0,0]=4 12629 B13R1.9 CSCCSCc1ccc(cc1)Cl 62a_100000187161_100000751147 [0,2,0,0,0,0|2,0,0]=4 12630 B13R1.9 CSCCSCc1ccc(cc1)Cl 62a_100000212216_100000187161 [0,2,0,0,0,0|2,0,0]=4 12631 B13R1.9 CSCCSCc1ccc(cc1)F 62a_100000198546_100000751147 [0,2,0,0,0,0|2,0,0]=4 12632 B13R1.9 CSCCSCc1ccc(cc1)F 62a_100000212216_100000187164 [0,2,0,0,0,0|2,0,0]=4 12633 B13R1.9 CSCCSCc1ccc(cc1)I 62a_100000189116_100000751147 [0,2,0,0,0,0|2,0,0]=4 12634 B13R1.9 CSCCSCc1ccc(cc1)I 62a_100000212216_100000189116 [0,2,0,0,0,0|2,0,0]=4 12635 B13R1.9 CSCCSCc1ccc(cn1)Br 62a_100000212216_100000702658 [0,2,0,0,0,0|1,0,0]=3 12636 B13R1.9 CSCCSCc1ccc(cn1)Br 62a_100000702658_100000751147 [0,2,0,0,0,0|1,0,0]=3 12637 B13R1.9 CSCCSCc1ccc(cn1)C 62a_100000212216_100000691093 [0,2,0,0,0,0|1,0,0]=3 12638 B13R1.9 CSCCSCc1ccc(cn1)C 62a_100000691093_100000751147 [0,2,0,0,0,0|1,0,0]=3 12639 B13R1.9 CSCCSCc1ccc(cn1)Cl 62a_100000212216_100000697101 [0,2,0,0,0,0|1,0,0]=3 12640 B13R1.9 CSCCSCc1ccc(cn1)Cl 62a_100012066911_100000751147 [0,2,0,0,0,0|1,0,0]=3 12641 B13R1.9 CSCCSCc1ccc(cn1)F 62a_100000212216_100000703193 [0,2,0,0,0,0|1,0,0]=3 12642 B13R1.9 CSCCSCc1ccc(cn1)F 62a_100000703193_100000751147 [0,2,0,0,0,0|1,0,0]=3 12643 B13R1.9 CSCCSCc1ccc(nn1)Cl 62a_100000212216_100016992710 [0,2,0,0,0,0|2,0,0]=4 12644 B13R1.9 CSCCSCc1ccc(nn1)Cl 62a_100016992710_100000751147 [0,2,0,0,0,0|2,0,0]=4 12645 B13R1.9 CSCCSCc1cnc(cn1)C 62a_100000212216_100000752025 [0,2,0,0,0,0|2,0,0]=4 12646 B13R1.9 CSCCSCc1cnc(cn1)C 62a_100000752025_100000751147 [0,2,0,0,0,0|2,0,0]=4 12647 B13R1.9 CSCCSCc1ncc(cn1)Br 62a_100000212216_100010064664 [0,2,0,0,0,0|2,0,0]=4 12648 B13R1.9 CSCCSCc1ncc(cn1)Br 62a_100010064664_100000751147 [0,2,0,0,0,0|2,0,0]=4 12649 B13R1.9 CSCCSCc1ncc(cn1)C 62a_100000212216_100000685645 [0,2,0,0,0,0|2,0,0]=4 12650 B13R1.9 CSCCSCc1ncc(cn1)C 62a_100000685645_100000751147 [0,2,0,0,0,0|2,0,0]=4 12651 B13R1.9 CSCNCCc1ccc(cc1)Br 2230a_100000755846_100011218213 [0,2,0,0,0,0|2,0,0]=4 12652 B13R1.9 CSCNCCc1ccc(cc1)Br 34a_100000755846_100011218213 [0,2,0,0,0,0|2,0,0]=4 12653 B13R1.9 CSCNCCc1ccc(cc1)C 2230a_100000705350_100011218213 [0,2,0,0,0,0|2,0,0]=4 12654 B13R1.9 CSCNCCc1ccc(cc1)C 34a_100000705350_100011218213 [0,2,0,0,0,0|2,0,0]=4 12655 B13R1.9 CSCNCCc1ccc(cc1)Cl 2230a_100000185265_100011218213 [0,2,0,0,0,0|2,0,0]=4 12656 B13R1.9 CSCNCCc1ccc(cc1)Cl 34a_100000185265_100011218213 [0,2,0,0,0,0|2,0,0]=4 12657 B13R1.9 CSCNCCc1ccc(cc1)F 2230a_100000199005_100011218213 [0,2,0,0,0,0|2,0,0]=4 12658 B13R1.9 CSCNCCc1ccc(cc1)F 34a_100000199005_100011218213 [0,2,0,0,0,0|2,0,0]=4 12659 B13R1.9 CSCNCCc1ccc(cc1)O 34a_100000743037_100011218213 [0,2,0,0,0,0|2,0,0]=4 12660 B13R1.9 CSCOCCc1ccc(cc1)Br 34a_100000766406_100011218213 [0,2,0,0,0,0|2,0,0]=4 12661 B13R1.9 CSCOCCc1ccc(cc1)C 34a_100000756670_100011218213 [0,2,0,0,0,0|2,0,0]=4 12662 B13R1.9 CSCOCCc1ccc(cc1)Cl 34a_100011219627_100011218213 [0,2,0,0,0,0|2,0,0]=4 12663 B13R1.9 CSCOCCc1ccc(cc1)F 34a_100000754732_100011218213 [0,2,0,0,0,0|2,0,0]=4 12664 B13R1.9 CSCOCCc1ccc(cc1)I 34a_100012291149_100011218213 [0,2,0,0,0,0|2,0,0]=4 12665 B13R1.9 CSCOCCc1ccc(cc1)N 34a_100011204434_100011218213 [0,2,0,0,0,0|2,0,0]=4 12666 B13R1.9 CSCOCCc1ccc(cn1)Br 34a_100012357577_100011218213 [0,2,0,0,0,0|1,0,0]=3 12667 B13R1.9 CSCSCCc1ccc(cc1)Br 62a_100011218213_100011740612 [0,2,0,0,0,0|2,0,0]=4 12668 B13R1.9 CSCSCCc1ccc(cc1)Br 62a_100011740612_100011218213 [0,2,0,0,0,0|2,0,0]=4 12669 B13R1.9 CSCSCCc1ccc(cc1)C 62a_100011218213_100011713686 [0,2,0,0,0,0|2,0,0]=4 12670 B13R1.9 CSCSCCc1ccc(cc1)C 62a_100011713686_100011218213 [0,2,0,0,0,0|2,0,0]=4 12671 B13R1.9 CSCSCCc1ccc(cc1)Cl 62a_100011218213_100011713675 [0,2,0,0,0,0|2,0,0]=4 12672 B13R1.9 CSCSCCc1ccc(cc1)Cl 62a_100011713675_100011218213 [0,2,0,0,0,0|2,0,0]=4 12673 B13R1.9 CSCSCCc1ccc(cc1)F 62a_100011217392_100011218213 [0,2,0,0,0,0|2,0,0]=4 12674 B13R1.9 CSCSCCc1ccc(cc1)F 62a_100011218213_100011217392 [0,2,0,0,0,0|2,0,0]=4 12675 B13R1.9 CSCSCCc1ccc(cc1)O 62a_100009816426_100011218213 [0,2,0,0,0,0|2,0,0]=4 12676 B13R1.9 CSCSCCc1ccc(cc1)O 62a_100011218213_100009816426 [0,2,0,0,0,0|2,0,0]=4 12677 B13R1.9 Cc1ccc(cc1)CCCNCF 34a_100011236272_100015361967 [0,2,0,0,0,0|2,0,0]=4 12678 B13R1.9 Cc1ccc(cc1)CCCOCF 34a_100000189427_100015361967 [0,2,0,0,0,0|2,0,0]=4 12679 B13R1.9 Cc1ccc(cc1)CCCOCF 7a_100000189427_100015361967 [0,2,0,0,0,0|2,0,0]=4 12680 B13R1.9 Cc1ccc(cc1)CCNCCF 2230a_100000705350_100011217306 [0,2,0,0,0,0|2,0,0]=4 12681 B13R1.9 Cc1ccc(cc1)CCNCCF 34a_100000705350_100011217306 [0,2,0,0,0,0|2,0,0]=4 12682 B13R1.9 Cc1ccc(cc1)CCNCCF 34a_100000724931_100011713686 [0,2,0,0,0,0|2,0,0]=4 12683 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100000705350_100000211926 [0,2,0,0,0,0|2,0,0]=4 12684 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100016997473_100011713686 [0,2,0,0,0,0|2,0,0]=4 12685 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100000705350_100000211926 [0,2,0,0,0,0|2,0,0]=4 12686 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100016990907_100011713686 [0,2,0,0,0,0|2,0,0]=4 12687 B13R1.9 Cc1ccc(cc1)CCOCCBr 34a_100000211926_100011713686 [0,2,0,0,0,0|2,0,0]=4 12688 B13R1.9 Cc1ccc(cc1)CCOCCF 34a_100000756670_100011217306 [0,2,0,0,0,0|2,0,0]=4 12689 B13R1.9 Cc1ccc(cc1)CCOCCF 7a_100000756670_100011217306 [0,2,0,0,0,0|2,0,0]=4 12690 B13R1.9 Cc1ccc(cc1)CCOCCN 34a_100000210304_100011713686 [0,2,0,0,0,0|2,0,0]=4 12691 B13R1.9 Cc1ccc(cc1)CCOCCO 34a_100000756670_100000211926 [0,2,0,0,0,0|2,0,0]=4 12692 B13R1.9 Cc1ccc(cc1)CCOCCO 7a_100000756670_100000211926 [0,2,0,0,0,0|2,0,0]=4 12693 B13R1.9 Cc1ccc(cc1)CCSCCF 62a_100011217306_100011713686 [0,2,0,0,0,0|2,0,0]=4 12694 B13R1.9 Cc1ccc(cc1)CCSCCF 62a_100011713686_100011217306 [0,2,0,0,0,0|2,0,0]=4 12695 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100000211926_100011713686 [0,2,0,0,0,0|2,0,0]=4 12696 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100011713686_100000211926 [0,2,0,0,0,0|2,0,0]=4 12697 B13R1.9 Cc1ccc(cc1)CNCCCF 207a_100015189416_100000211033 [0,2,0,0,0,0|2,0,0]=4 12698 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100000174908_100011934791 [0,2,0,0,0,0|2,0,0]=4 12699 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100015189416_100000210814 [0,2,0,0,0,0|2,0,0]=4 12700 B13R1.9 Cc1ccc(cc1)CNCCCF 270004a_100015189416_100000211033 [0,2,0,0,0,0|2,0,0]=4 12701 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100000174908_100011934791 [0,2,0,0,0,0|2,0,0]=4 12702 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100015189416_100000210814 [0,2,0,0,0,0|2,0,0]=4 12703 B13R1.9 Cc1ccc(cc1)CNCCCO 207a_100000182051_100000211033 [0,2,0,0,0,0|2,0,0]=4 12704 B13R1.9 Cc1ccc(cc1)CNCCCO 2230a_100000174908_100000230001 [0,2,0,0,0,0|2,0,0]=4 12705 B13R1.9 Cc1ccc(cc1)CNCCCO 270004a_100000182051_100000211033 [0,2,0,0,0,0|2,0,0]=4 12706 B13R1.9 Cc1ccc(cc1)CNCCCO 34a_100000174908_100000230001 [0,2,0,0,0,0|2,0,0]=4 12707 B13R1.9 Cc1ccc(cc1)CNCCO[13CH3] 34a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 12708 B13R1.9 Cc1ccc(cc1)COCCCBr 34a_100011217188_100000210814 [0,2,0,0,0,0|2,0,0]=4 12709 B13R1.9 Cc1ccc(cc1)COCCCCl 34a_100000230001_100000210814 [0,2,0,0,0,0|2,0,0]=4 12710 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100000759539_100000210814 [0,2,0,0,0,0|2,0,0]=4 12711 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100011215236_100011934791 [0,2,0,0,0,0|2,0,0]=4 12712 B13R1.9 Cc1ccc(cc1)COCCCF 7a_100011215236_100011934791 [0,2,0,0,0,0|2,0,0]=4 12713 B13R1.9 Cc1ccc(cc1)COCCCN 34a_100000182051_100000210814 [0,2,0,0,0,0|2,0,0]=4 12714 B13R1.9 Cc1ccc(cc1)COCCCO 34a_100011215236_100000230001 [0,2,0,0,0,0|2,0,0]=4 12715 B13R1.9 Cc1ccc(cc1)COCCCO 7a_100011215236_100011215043 [0,2,0,0,0,0|2,0,0]=4 12716 B13R1.9 Cc1ccc(cc1)CSCCCF 62a_100000210814_100011934791 [0,2,0,0,0,0|2,0,0]=4 12717 B13R1.9 Cc1ccc(cc1)CSCCCF 62a_100011934791_100000210814 [0,2,0,0,0,0|2,0,0]=4 12718 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100000210814_100011215043 [0,2,0,0,0,0|2,0,0]=4 12719 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100011215043_100000210814 [0,2,0,0,0,0|2,0,0]=4 12720 B13R1.9 Cc1ccc(cc1)CSCCO[13CH3] 34a_100011212911_200025704644 [0,2,0,0,0,0|2,0,0]=4 12721 B13R1.9 Cc1ccc(cc1)CSCCO[13CH3] 7a_100011212911_200025704644 [0,2,0,0,0,0|2,0,0]=4 12722 B13R1.9 Cc1ccc(cc1)NCCCCF 34a_100000124888_100000729493 [0,2,0,0,0,0|2,0,0]=4 12723 B13R1.9 Cc1ccc(cc1)NCCCCO 34a_100000124888_100011216708 [0,2,0,0,0,0|2,0,0]=4 12724 B13R1.9 Cc1ccc(cc1)OCCCCF 34a_100000210336_100000729493 [0,2,0,0,0,0|2,0,0]=4 12725 B13R1.9 Cc1ccc(cc1)OCCCCF 7a_100000210336_100000729493 [0,2,0,0,0,0|2,0,0]=4 12726 B13R1.9 Cc1ccc(cc1)OCCCCO 34a_100000210336_100011216708 [0,2,0,0,0,0|2,0,0]=4 12727 B13R1.9 Cc1ccc(cc1)OCCCCO 7a_100000210336_100000210776 [0,2,0,0,0,0|2,0,0]=4 12728 B13R1.9 Cc1ccc(cc1)OCCCN[13CH3] 34a_100000747266_200025704644 [0,2,0,0,0,0|2,0,0]=4 12729 B13R1.9 Cc1ccc(cc1)SCCCCF 62a_100000186775_100000729493 [0,2,0,0,0,0|2,0,0]=4 12730 B13R1.9 Cc1ccc(cc1)SCCCCF 62a_100000729493_100000186775 [0,2,0,0,0,0|2,0,0]=4 12731 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000186775_100000210776 [0,2,0,0,0,0|2,0,0]=4 12732 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000210776_100000186775 [0,2,0,0,0,0|2,0,0]=4 12733 B13R1.9 Cc1ccc(nc1)CNCCC#N 270004a_100000720768_100000050478 [0,2,0,0,0,0|1,0,1]=4 12734 B13R1.9 Cc1ccc(nc1)CNCCCF 207a_100015189416_100000050478 [0,2,0,0,0,0|1,0,0]=3 12735 B13R1.9 Cc1ccc(nc1)CNCCCF 2230a_100015189416_100000691093 [0,2,0,0,0,0|1,0,0]=3 12736 B13R1.9 Cc1ccc(nc1)CNCCCF 270004a_100015189416_100000050478 [0,2,0,0,0,0|1,0,0]=3 12737 B13R1.9 Cc1ccc(nc1)CNCCCF 34a_100015187455_100011934791 [0,2,0,0,0,0|1,0,0]=3 12738 B13R1.9 Cc1ccc(nc1)CNCCCF 34a_100015189416_100000691093 [0,2,0,0,0,0|1,0,0]=3 12739 B13R1.9 Cc1ccc(nc1)CNCCCO 207a_100000182051_100000050478 [0,2,0,0,0,0|1,0,0]=3 12740 B13R1.9 Cc1ccc(nc1)CNCCCO 270004a_100000182051_100000050478 [0,2,0,0,0,0|1,0,0]=3 12741 B13R1.9 Cc1ccc(nc1)CNCCCO 34a_100015187455_100000230001 [0,2,0,0,0,0|1,0,0]=3 12742 B13R1.9 Cc1ccc(nc1)COCCCBr 34a_100011217188_100000691093 [0,2,0,0,0,0|1,0,0]=3 12743 B13R1.9 Cc1ccc(nc1)COCCCCl 34a_100000230001_100000691093 [0,2,0,0,0,0|1,0,0]=3 12744 B13R1.9 Cc1ccc(nc1)COCCCF 34a_100000759539_100000691093 [0,2,0,0,0,0|1,0,0]=3 12745 B13R1.9 Cc1ccc(nc1)COCCCF 34a_100012001401_100011934791 [0,2,0,0,0,0|1,0,0]=3 12746 B13R1.9 Cc1ccc(nc1)COCCCN 34a_100000182051_100000691093 [0,2,0,0,0,0|1,0,0]=3 12747 B13R1.9 Cc1ccc(nc1)COCCCO 34a_100012001401_100000230001 [0,2,0,0,0,0|1,0,0]=3 12748 B13R1.9 Cc1ccc(nc1)COCCON 34a_100000700252_100000691093 [0,2,0,0,0,0|2,0,0]=4 12749 B13R1.9 Cc1ccc(nc1)CSCCC#N 62a_100000691093_100011215226 [0,2,0,0,0,0|1,0,1]=4 12750 B13R1.9 Cc1ccc(nc1)CSCCC#N 62a_100011215226_100000691093 [0,2,0,0,0,0|1,0,1]=4 12751 B13R1.9 Cc1ccc(nc1)CSCCCF 62a_100000691093_100011934791 [0,2,0,0,0,0|1,0,0]=3 12752 B13R1.9 Cc1ccc(nc1)CSCCCF 62a_100011934791_100000691093 [0,2,0,0,0,0|1,0,0]=3 12753 B13R1.9 Cc1ccc(nc1)CSCCCO 62a_100000691093_100011215043 [0,2,0,0,0,0|1,0,0]=3 12754 B13R1.9 Cc1ccc(nc1)CSCCCO 62a_100011215043_100000691093 [0,2,0,0,0,0|1,0,0]=3 12755 B13R1.9 Cc1ccc(nc1)OCCCCF 34a_100000759353_100000729493 [0,2,0,0,0,0|1,0,0]=3 12756 B13R1.9 Cc1ccc(nc1)OCCCCO 34a_100000759353_100011216708 [0,2,0,0,0,0|1,0,0]=3 12757 B13R1.9 Cc1ccc(nc1)SCCCC#N 62a_100000687738_100000754016 [0,2,0,0,0,0|1,0,1]=4 12758 B13R1.9 Cc1ccc(nc1)SCCCC#N 62a_100011192072_100000687738 [0,2,0,0,0,0|1,0,1]=4 12759 B13R1.9 Cc1ccc(nc1)SCCCC=O 62a_100011192072_200011292268 [0,2,0,0,0,0|1,0,1]=4 12760 B13R1.9 Cc1ccc(nc1)SCCCC=O 62a_200011292268_100000754016 [0,2,0,0,0,0|1,0,1]=4 12761 B13R1.9 Cc1ccc(nc1)SCCCCF 62a_100000729493_100000754016 [0,2,0,0,0,0|1,0,0]=3 12762 B13R1.9 Cc1ccc(nc1)SCCCCF 62a_100011192072_100000729493 [0,2,0,0,0,0|1,0,0]=3 12763 B13R1.9 Cc1ccc(nc1)SCCCCO 62a_100000210776_100000754016 [0,2,0,0,0,0|1,0,0]=3 12764 B13R1.9 Cc1ccc(nc1)SCCCCO 62a_100011192072_100000210776 [0,2,0,0,0,0|1,0,0]=3 12765 B13R1.9 Cc1ccc(nn1)NCCCCO 27a_100000750430_100000744512 [0,2,0,0,0,0|2,0,0]=4 12766 B13R1.9 Cc1ccc(nn1)SCCCCF 62a_100000729493_100000744512 [0,2,0,0,0,0|2,0,0]=4 12767 B13R1.9 Cc1ccc(nn1)SCCCCF 62a_100000744512_100000729493 [0,2,0,0,0,0|2,0,0]=4 12768 B13R1.9 Cc1ccc(nn1)SCCCCO 62a_100000210776_100000744512 [0,2,0,0,0,0|2,0,0]=4 12769 B13R1.9 Cc1ccc(nn1)SCCCCO 62a_100000744512_100000210776 [0,2,0,0,0,0|2,0,0]=4 12770 B13R1.9 Cc1cnc(cn1)CNCCCF 2230a_100015189416_100000752025 [0,2,0,0,0,0|2,0,0]=4 12771 B13R1.9 Cc1cnc(cn1)CNCCCF 270004a_100015189416_100000685221 [0,2,0,0,0,0|2,0,0]=4 12772 B13R1.9 Cc1cnc(cn1)CNCCCF 34a_100132314150_100011934791 [0,2,0,0,0,0|2,0,0]=4 12773 B13R1.9 Cc1cnc(cn1)CNCCCO 270004a_100000182051_100000685221 [0,2,0,0,0,0|2,0,0]=4 12774 B13R1.9 Cc1cnc(cn1)CNCCCO 34a_100132314150_100000230001 [0,2,0,0,0,0|2,0,0]=4 12775 B13R1.9 Cc1cnc(cn1)COCCCF 34a_100011273949_100011934791 [0,2,0,0,0,0|2,0,0]=4 12776 B13R1.9 Cc1cnc(cn1)COCCCO 34a_100011273949_100000230001 [0,2,0,0,0,0|2,0,0]=4 12777 B13R1.9 Cc1cnc(cn1)CSCCCF 62a_100000752025_100011934791 [0,2,0,0,0,0|2,0,0]=4 12778 B13R1.9 Cc1cnc(cn1)CSCCCF 62a_100011934791_100000752025 [0,2,0,0,0,0|2,0,0]=4 12779 B13R1.9 Cc1cnc(cn1)CSCCCO 62a_100000752025_100011215043 [0,2,0,0,0,0|2,0,0]=4 12780 B13R1.9 Cc1cnc(cn1)CSCCCO 62a_100011215043_100000752025 [0,2,0,0,0,0|2,0,0]=4 12781 B13R1.9 Cc1cnc(cn1)NCCCCO 27a_100000750430_100000074397 [0,2,0,0,0,0|2,0,0]=4 12782 B13R1.9 Cc1cnc(cn1)SCCCCF 62a_100000729493_100011999403 [0,2,0,0,0,0|2,0,0]=4 12783 B13R1.9 Cc1cnc(cn1)SCCCCF 62a_100011999403_100000729493 [0,2,0,0,0,0|2,0,0]=4 12784 B13R1.9 Cc1cnc(cn1)SCCCCO 62a_100000210776_100011999403 [0,2,0,0,0,0|2,0,0]=4 12785 B13R1.9 Cc1cnc(cn1)SCCCCO 62a_100011999403_100000210776 [0,2,0,0,0,0|2,0,0]=4 12786 B13R1.9 Cc1cnc(nc1)CNCCCF 2230a_100015189416_100000685645 [0,2,0,0,0,0|2,0,0]=4 12787 B13R1.9 Cc1cnc(nc1)CNCCCF 34a_100015189416_100000685645 [0,2,0,0,0,0|2,0,0]=4 12788 B13R1.9 Cc1cnc(nc1)COCCCBr 34a_100011217188_100000685645 [0,2,0,0,0,0|2,0,0]=4 12789 B13R1.9 Cc1cnc(nc1)COCCCCl 34a_100000230001_100000685645 [0,2,0,0,0,0|2,0,0]=4 12790 B13R1.9 Cc1cnc(nc1)COCCCF 34a_100000759539_100000685645 [0,2,0,0,0,0|2,0,0]=4 12791 B13R1.9 Cc1cnc(nc1)COCCCN 34a_100000182051_100000685645 [0,2,0,0,0,0|2,0,0]=4 12792 B13R1.9 Cc1cnc(nc1)CSCCCF 62a_100000685645_100011934791 [0,2,0,0,0,0|2,0,0]=4 12793 B13R1.9 Cc1cnc(nc1)CSCCCF 62a_100011934791_100000685645 [0,2,0,0,0,0|2,0,0]=4 12794 B13R1.9 Cc1cnc(nc1)CSCCCO 62a_100000685645_100011215043 [0,2,0,0,0,0|2,0,0]=4 12795 B13R1.9 Cc1cnc(nc1)CSCCCO 62a_100011215043_100000685645 [0,2,0,0,0,0|2,0,0]=4 12796 B13R1.9 Cc1cnc(nc1)NCCCCO 27a_100000750430_100000061069 [0,2,0,0,0,0|2,0,0]=4 12797 B13R1.9 Cc1cnc(nc1)SCCCCF 62a_100000061069_100000729493 [0,2,0,0,0,0|2,0,0]=4 12798 B13R1.9 Cc1cnc(nc1)SCCCCF 62a_100000729493_100000061069 [0,2,0,0,0,0|2,0,0]=4 12799 B13R1.9 Cc1cnc(nc1)SCCCCO 62a_100000061069_100000210776 [0,2,0,0,0,0|2,0,0]=4 12800 B13R1.9 Cc1cnc(nc1)SCCCCO 62a_100000210776_100000061069 [0,2,0,0,0,0|2,0,0]=4 12801 B13R1.9 ClCCCOCc1ccc(cc1)Br 34a_100000230001_100000189115 [0,2,0,0,0,0|2,0,0]=4 12802 B13R1.9 ClCCCOCc1ccc(cc1)Cl 34a_100000230001_100000694040 [0,2,0,0,0,0|2,0,0]=4 12803 B13R1.9 ClCCCOCc1ccc(cc1)I 34a_100000230001_100000189116 [0,2,0,0,0,0|2,0,0]=4 12804 B13R1.9 ClCCCOCc1ccc(cn1)Br 34a_100000230001_100000702658 [0,2,0,0,0,0|1,0,0]=3 12805 B13R1.9 ClCCCOCc1ccc(cn1)Cl 34a_100000230001_100012066911 [0,2,0,0,0,0|1,0,0]=3 12806 B13R1.9 ClCCCOCc1ccc(nn1)Cl 34a_100000230001_100016992710 [0,2,0,0,0,0|2,0,0]=4 12807 B13R1.9 ClCCCOCc1ncc(cn1)Br 34a_100000230001_100010064664 [0,2,0,0,0,0|2,0,0]=4 12808 B13R1.9 Clc1ccc(cc1)CCOCCBr 34a_100000211926_100011713675 [0,2,0,0,0,0|2,0,0]=4 12809 B13R1.9 Clc1ccc(cc1)COCCCBr 34a_100011217188_100000694040 [0,2,0,0,0,0|2,0,0]=4 12810 B13R1.9 Clc1ccc(nc1)COCCCBr 34a_100011217188_100012066911 [0,2,0,0,0,0|1,0,0]=3 12811 B13R1.9 Clc1ccc(nn1)COCCCBr 34a_100011217188_100016992710 [0,2,0,0,0,0|2,0,0]=4 12812 B13R1.9 FCCCCNc1ccc(cc1)Br 2230a_100000210018_100000729493 [0,2,0,0,0,0|2,0,0]=4 12813 B13R1.9 FCCCCNc1ccc(cc1)Br 34a_100000210018_100000729493 [0,2,0,0,0,0|2,0,0]=4 12814 B13R1.9 FCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000729493 [0,2,0,0,0,0|2,0,0]=4 12815 B13R1.9 FCCCCNc1ccc(cc1)Cl 34a_100000210052_100000729493 [0,2,0,0,0,0|2,0,0]=4 12816 B13R1.9 FCCCCNc1ccc(cc1)F 34a_100000185862_100000729493 [0,2,0,0,0,0|2,0,0]=4 12817 B13R1.9 FCCCCNc1ccc(cc1)I 34a_100000185761_100000729493 [0,2,0,0,0,0|2,0,0]=4 12818 B13R1.9 FCCCCOc1ccc(cc1)Br 34a_100000185759_100000729493 [0,2,0,0,0,0|2,0,0]=4 12819 B13R1.9 FCCCCOc1ccc(cc1)Br 7a_100000185759_100000729493 [0,2,0,0,0,0|2,0,0]=4 12820 B13R1.9 FCCCCOc1ccc(cc1)Cl 34a_100000210216_100000729493 [0,2,0,0,0,0|2,0,0]=4 12821 B13R1.9 FCCCCOc1ccc(cc1)Cl 7a_100000210216_100000729493 [0,2,0,0,0,0|2,0,0]=4 12822 B13R1.9 FCCCCOc1ccc(cc1)F 34a_100000210339_100000729493 [0,2,0,0,0,0|2,0,0]=4 12823 B13R1.9 FCCCCOc1ccc(cc1)I 34a_100000212066_100000729493 [0,2,0,0,0,0|2,0,0]=4 12824 B13R1.9 FCCCCOc1ccc(cc1)I 7a_100000212066_100000729493 [0,2,0,0,0,0|2,0,0]=4 12825 B13R1.9 FCCCCOc1ccc(cn1)Cl 34a_100011215309_100000729493 [0,2,0,0,0,0|1,0,0]=3 12826 B13R1.9 FCCCCOc1ccc(cn1)F 34a_100000742473_100000729493 [0,2,0,0,0,0|1,0,0]=3 12827 B13R1.9 FCCCCOc1cnc(cn1)Br 34a_100011934580_100000729493 [0,2,0,0,0,0|2,0,0]=4 12828 B13R1.9 FCCCCOc1cnc(cn1)Cl 34a_100015839800_100000729493 [0,2,0,0,0,0|2,0,0]=4 12829 B13R1.9 FCCCCOc1ncc(cn1)F 34a_100011934040_100000729493 [0,2,0,0,0,0|2,0,0]=4 12830 B13R1.9 FCCCCSc1ccc(cc1)Br 62a_100000729493_100000752885 [0,2,0,0,0,0|2,0,0]=4 12831 B13R1.9 FCCCCSc1ccc(cc1)Br 62a_100000752885_100000729493 [0,2,0,0,0,0|2,0,0]=4 12832 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000729493_100000755918 [0,2,0,0,0,0|2,0,0]=4 12833 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000755918_100000729493 [0,2,0,0,0,0|2,0,0]=4 12834 B13R1.9 FCCCCSc1ccc(cc1)F 62a_100000211213_100000729493 [0,2,0,0,0,0|2,0,0]=4 12835 B13R1.9 FCCCCSc1ccc(cc1)F 62a_100000729493_100000211213 [0,2,0,0,0,0|2,0,0]=4 12836 B13R1.9 FCCCCSc1ccc(cn1)Br 62a_100000686858_100000729493 [0,2,0,0,0,0|1,0,0]=3 12837 B13R1.9 FCCCCSc1ccc(cn1)Br 62a_100000729493_100000686858 [0,2,0,0,0,0|1,0,0]=3 12838 B13R1.9 FCCCCSc1ccc(cn1)Cl 62a_100000729493_100011356976 [0,2,0,0,0,0|1,0,0]=3 12839 B13R1.9 FCCCCSc1ccc(cn1)Cl 62a_100011356976_100000729493 [0,2,0,0,0,0|1,0,0]=3 12840 B13R1.9 FCCCCSc1ccc(cn1)F 62a_100000729493_100000744514 [0,2,0,0,0,0|1,0,0]=3 12841 B13R1.9 FCCCCSc1ccc(cn1)F 62a_100000744514_100000729493 [0,2,0,0,0,0|1,0,0]=3 12842 B13R1.9 FCCCCSc1ccc(nn1)Cl 62a_100000068654_100000729493 [0,2,0,0,0,0|2,0,0]=4 12843 B13R1.9 FCCCCSc1ccc(nn1)Cl 62a_100000729493_100000068654 [0,2,0,0,0,0|2,0,0]=4 12844 B13R1.9 FCCCCSc1cnc(cn1)Br 62a_100000729493_100010187541 [0,2,0,0,0,0|2,0,0]=4 12845 B13R1.9 FCCCCSc1cnc(cn1)Br 62a_100010187541_100000729493 [0,2,0,0,0,0|2,0,0]=4 12846 B13R1.9 FCCCCSc1cnc(cn1)Cl 62a_100000729493_100010214907 [0,2,0,0,0,0|2,0,0]=4 12847 B13R1.9 FCCCCSc1cnc(cn1)Cl 62a_100010214907_100000729493 [0,2,0,0,0,0|2,0,0]=4 12848 B13R1.9 FCCCCSc1cnc(cn1)F 62a_100000729493_100009856528 [0,2,0,0,0,0|2,0,0]=4 12849 B13R1.9 FCCCCSc1cnc(cn1)F 62a_100009856528_100000729493 [0,2,0,0,0,0|2,0,0]=4 12850 B13R1.9 FCCCCSc1ncc(cn1)Br 62a_100000690281_100000729493 [0,2,0,0,0,0|2,0,0]=4 12851 B13R1.9 FCCCCSc1ncc(cn1)Br 62a_100000729493_100000690281 [0,2,0,0,0,0|2,0,0]=4 12852 B13R1.9 FCCCCSc1ncc(cn1)Cl 62a_100000729493_100011356929 [0,2,0,0,0,0|2,0,0]=4 12853 B13R1.9 FCCCCSc1ncc(cn1)Cl 62a_100011356929_100000729493 [0,2,0,0,0,0|2,0,0]=4 12854 B13R1.9 FCCCCSc1ncc(cn1)F 62a_100000685220_100000729493 [0,2,0,0,0,0|2,0,0]=4 12855 B13R1.9 FCCCCSc1ncc(cn1)F 62a_100000729493_100000685220 [0,2,0,0,0,0|2,0,0]=4 12856 B13R1.9 FCCCNCc1ccc(cc1)Br 207a_100015189416_100000186029 [0,2,0,0,0,0|2,0,0]=4 12857 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100000174875_100011934791 [0,2,0,0,0,0|2,0,0]=4 12858 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100015189416_100011217064 [0,2,0,0,0,0|2,0,0]=4 12859 B13R1.9 FCCCNCc1ccc(cc1)Br 270004a_100015189416_100000186029 [0,2,0,0,0,0|2,0,0]=4 12860 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100000174875_100011934791 [0,2,0,0,0,0|2,0,0]=4 12861 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100015189416_100000189115 [0,2,0,0,0,0|2,0,0]=4 12862 B13R1.9 FCCCNCc1ccc(cc1)Cl 207a_100015189416_100000189385 [0,2,0,0,0,0|2,0,0]=4 12863 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100000174871_100011934791 [0,2,0,0,0,0|2,0,0]=4 12864 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100015189416_100000694040 [0,2,0,0,0,0|2,0,0]=4 12865 B13R1.9 FCCCNCc1ccc(cc1)Cl 270004a_100015189416_100000189385 [0,2,0,0,0,0|2,0,0]=4 12866 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100000174871_100011934791 [0,2,0,0,0,0|2,0,0]=4 12867 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100015189416_100000694040 [0,2,0,0,0,0|2,0,0]=4 12868 B13R1.9 FCCCNCc1ccc(cc1)F 207a_100015189416_100000210084 [0,2,0,0,0,0|2,0,0]=4 12869 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100000174882_100011934791 [0,2,0,0,0,0|2,0,0]=4 12870 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100015189416_100000198546 [0,2,0,0,0,0|2,0,0]=4 12871 B13R1.9 FCCCNCc1ccc(cc1)F 270004a_100015189416_100000210084 [0,2,0,0,0,0|2,0,0]=4 12872 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100000174882_100011934791 [0,2,0,0,0,0|2,0,0]=4 12873 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100015189416_100000198546 [0,2,0,0,0,0|2,0,0]=4 12874 B13R1.9 FCCCNCc1ccc(cc1)I 207a_100015189416_100000188517 [0,2,0,0,0,0|2,0,0]=4 12875 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100015189416_100000189116 [0,2,0,0,0,0|2,0,0]=4 12876 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100016989417_100011934791 [0,2,0,0,0,0|2,0,0]=4 12877 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100015189416_100000189116 [0,2,0,0,0,0|2,0,0]=4 12878 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100016989417_100011934791 [0,2,0,0,0,0|2,0,0]=4 12879 B13R1.9 FCCCNCc1ccc(cn1)Br 207a_100015189416_100000754260 [0,2,0,0,0,0|1,0,0]=3 12880 B13R1.9 FCCCNCc1ccc(cn1)Br 2230a_100015189416_100000702658 [0,2,0,0,0,0|1,0,0]=3 12881 B13R1.9 FCCCNCc1ccc(cn1)Br 270004a_100015189416_100000754260 [0,2,0,0,0,0|1,0,0]=3 12882 B13R1.9 FCCCNCc1ccc(cn1)Br 34a_100015188789_100011934791 [0,2,0,0,0,0|1,0,0]=3 12883 B13R1.9 FCCCNCc1ccc(cn1)Br 34a_100015189416_100000702658 [0,2,0,0,0,0|1,0,0]=3 12884 B13R1.9 FCCCNCc1ccc(cn1)Cl 207a_100015189416_100011361569 [0,2,0,0,0,0|1,0,0]=3 12885 B13R1.9 FCCCNCc1ccc(cn1)Cl 2230a_100015189416_100012066911 [0,2,0,0,0,0|1,0,0]=3 12886 B13R1.9 FCCCNCc1ccc(cn1)Cl 270004a_100015189416_100011361569 [0,2,0,0,0,0|1,0,0]=3 12887 B13R1.9 FCCCNCc1ccc(cn1)Cl 34a_100000697193_100011934791 [0,2,0,0,0,0|1,0,0]=3 12888 B13R1.9 FCCCNCc1ccc(cn1)Cl 34a_100015189416_100012066911 [0,2,0,0,0,0|1,0,0]=3 12889 B13R1.9 FCCCNCc1ccc(cn1)F 207a_100015189416_100011934744 [0,2,0,0,0,0|1,0,0]=3 12890 B13R1.9 FCCCNCc1ccc(cn1)F 2230a_100015189416_100000703193 [0,2,0,0,0,0|1,0,0]=3 12891 B13R1.9 FCCCNCc1ccc(cn1)F 270004a_100015189416_100011934744 [0,2,0,0,0,0|1,0,0]=3 12892 B13R1.9 FCCCNCc1ccc(cn1)F 34a_100015189416_100000703193 [0,2,0,0,0,0|1,0,0]=3 12893 B13R1.9 FCCCNCc1ccc(cn1)F 34a_100020620131_100011934791 [0,2,0,0,0,0|1,0,0]=3 12894 B13R1.9 FCCCNCc1ccc(nn1)Cl 2230a_100015189416_100016992710 [0,2,0,0,0,0|2,0,0]=4 12895 B13R1.9 FCCCNCc1ccc(nn1)Cl 270004a_100015189416_100000044651 [0,2,0,0,0,0|2,0,0]=4 12896 B13R1.9 FCCCNCc1ccc(nn1)Cl 34a_100015189416_100016992710 [0,2,0,0,0,0|2,0,0]=4 12897 B13R1.9 FCCCNCc1cnc(cn1)Cl 270004a_100015189416_100012001714 [0,2,0,0,0,0|2,0,0]=4 12898 B13R1.9 FCCCNCc1ncc(cn1)Br 34a_100015189416_100010064664 [0,2,0,0,0,0|2,0,0]=4 12899 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000695286_100011934791 [0,2,0,0,0,0|2,0,0]=4 12900 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000759539_100000189115 [0,2,0,0,0,0|2,0,0]=4 12901 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000211118_100011934791 [0,2,0,0,0,0|2,0,0]=4 12902 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000759539_100000694040 [0,2,0,0,0,0|2,0,0]=4 12903 B13R1.9 FCCCOCc1ccc(cc1)Cl 7a_100000211118_100011934791 [0,2,0,0,0,0|2,0,0]=4 12904 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000210977_100011934791 [0,2,0,0,0,0|2,0,0]=4 12905 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000759539_100000198546 [0,2,0,0,0,0|2,0,0]=4 12906 B13R1.9 FCCCOCc1ccc(cc1)F 7a_100000210977_100011934791 [0,2,0,0,0,0|2,0,0]=4 12907 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000690907_100011934791 [0,2,0,0,0,0|2,0,0]=4 12908 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000759539_100000189116 [0,2,0,0,0,0|2,0,0]=4 12909 B13R1.9 FCCCOCc1ccc(cc1)I 7a_100000690907_100011934791 [0,2,0,0,0,0|2,0,0]=4 12910 B13R1.9 FCCCOCc1ccc(cn1)Br 34a_100000754261_100011934791 [0,2,0,0,0,0|1,0,0]=3 12911 B13R1.9 FCCCOCc1ccc(cn1)Br 34a_100000759539_100000702658 [0,2,0,0,0,0|1,0,0]=3 12912 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000703999_100011934791 [0,2,0,0,0,0|1,0,0]=3 12913 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000759539_100012066911 [0,2,0,0,0,0|1,0,0]=3 12914 B13R1.9 FCCCOCc1ccc(cn1)F 34a_100000759539_100000703193 [0,2,0,0,0,0|1,0,0]=3 12915 B13R1.9 FCCCOCc1ccc(cn1)F 34a_100011999454_100011934791 [0,2,0,0,0,0|1,0,0]=3 12916 B13R1.9 FCCCOCc1ccc(nn1)Cl 34a_100000759539_100016992710 [0,2,0,0,0,0|2,0,0]=4 12917 B13R1.9 FCCCOCc1cnc(cn1)Cl 34a_100012002382_100011934791 [0,2,0,0,0,0|2,0,0]=4 12918 B13R1.9 FCCCOCc1ncc(cn1)Br 34a_100000759539_100010064664 [0,2,0,0,0,0|2,0,0]=4 12919 B13R1.9 FCCCSCc1ccc(cc1)Br 62a_100000189115_100011934791 [0,2,0,0,0,0|2,0,0]=4 12920 B13R1.9 FCCCSCc1ccc(cc1)Br 62a_100011934791_100000189115 [0,2,0,0,0,0|2,0,0]=4 12921 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100000187161_100011934791 [0,2,0,0,0,0|2,0,0]=4 12922 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100011934791_100000187161 [0,2,0,0,0,0|2,0,0]=4 12923 B13R1.9 FCCCSCc1ccc(cc1)F 62a_100000198546_100011934791 [0,2,0,0,0,0|2,0,0]=4 12924 B13R1.9 FCCCSCc1ccc(cc1)F 62a_100011934791_100000187164 [0,2,0,0,0,0|2,0,0]=4 12925 B13R1.9 FCCCSCc1ccc(cc1)I 62a_100000189116_100011934791 [0,2,0,0,0,0|2,0,0]=4 12926 B13R1.9 FCCCSCc1ccc(cc1)I 62a_100011934791_100000189116 [0,2,0,0,0,0|2,0,0]=4 12927 B13R1.9 FCCCSCc1ccc(cn1)Br 62a_100000702658_100011934791 [0,2,0,0,0,0|1,0,0]=3 12928 B13R1.9 FCCCSCc1ccc(cn1)Br 62a_100011934791_100000702658 [0,2,0,0,0,0|1,0,0]=3 12929 B13R1.9 FCCCSCc1ccc(cn1)Cl 62a_100011934791_100000697101 [0,2,0,0,0,0|1,0,0]=3 12930 B13R1.9 FCCCSCc1ccc(cn1)Cl 62a_100012066911_100011934791 [0,2,0,0,0,0|1,0,0]=3 12931 B13R1.9 FCCCSCc1ccc(cn1)F 62a_100000703193_100011934791 [0,2,0,0,0,0|1,0,0]=3 12932 B13R1.9 FCCCSCc1ccc(cn1)F 62a_100011934791_100000703193 [0,2,0,0,0,0|1,0,0]=3 12933 B13R1.9 FCCCSCc1ccc(nn1)Cl 62a_100011934791_100016992710 [0,2,0,0,0,0|2,0,0]=4 12934 B13R1.9 FCCCSCc1ccc(nn1)Cl 62a_100016992710_100011934791 [0,2,0,0,0,0|2,0,0]=4 12935 B13R1.9 FCCCSCc1ncc(cn1)Br 62a_100010064664_100011934791 [0,2,0,0,0,0|2,0,0]=4 12936 B13R1.9 FCCCSCc1ncc(cn1)Br 62a_100011934791_100010064664 [0,2,0,0,0,0|2,0,0]=4 12937 B13R1.9 FCCNCCc1ccc(cc1)Br 2230a_100000755846_100011217306 [0,2,0,0,0,0|2,0,0]=4 12938 B13R1.9 FCCNCCc1ccc(cc1)Br 34a_100000724931_100011740612 [0,2,0,0,0,0|2,0,0]=4 12939 B13R1.9 FCCNCCc1ccc(cc1)Br 34a_100000755846_100011217306 [0,2,0,0,0,0|2,0,0]=4 12940 B13R1.9 FCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011217306 [0,2,0,0,0,0|2,0,0]=4 12941 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000185265_100011217306 [0,2,0,0,0,0|2,0,0]=4 12942 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000724931_100011713675 [0,2,0,0,0,0|2,0,0]=4 12943 B13R1.9 FCCNCCc1ccc(cc1)F 2230a_100000199005_100011217306 [0,2,0,0,0,0|2,0,0]=4 12944 B13R1.9 FCCNCCc1ccc(cc1)F 34a_100000199005_100011217306 [0,2,0,0,0,0|2,0,0]=4 12945 B13R1.9 FCCNCCc1ccc(cc1)F 34a_100000724931_100011217392 [0,2,0,0,0,0|2,0,0]=4 12946 B13R1.9 FCCOCCc1ccc(cc1)Br 34a_100000766406_100011217306 [0,2,0,0,0,0|2,0,0]=4 12947 B13R1.9 FCCOCCc1ccc(cc1)Br 7a_100000766406_100011217306 [0,2,0,0,0,0|2,0,0]=4 12948 B13R1.9 FCCOCCc1ccc(cc1)Cl 34a_100011219627_100011217306 [0,2,0,0,0,0|2,0,0]=4 12949 B13R1.9 FCCOCCc1ccc(cc1)Cl 7a_100011219627_100011217306 [0,2,0,0,0,0|2,0,0]=4 12950 B13R1.9 FCCOCCc1ccc(cc1)F 34a_100000754732_100011217306 [0,2,0,0,0,0|2,0,0]=4 12951 B13R1.9 FCCOCCc1ccc(cc1)F 7a_100000754732_100011217306 [0,2,0,0,0,0|2,0,0]=4 12952 B13R1.9 FCCOCCc1ccc(cc1)I 34a_100012291149_100011217306 [0,2,0,0,0,0|2,0,0]=4 12953 B13R1.9 FCCOCCc1ccc(cc1)I 7a_100012291149_100011217306 [0,2,0,0,0,0|2,0,0]=4 12954 B13R1.9 FCCOCCc1ccc(cn1)Br 34a_100012357577_100011217306 [0,2,0,0,0,0|1,0,0]=3 12955 B13R1.9 FCCSCCc1ccc(cc1)Br 62a_100011217306_100011740612 [0,2,0,0,0,0|2,0,0]=4 12956 B13R1.9 FCCSCCc1ccc(cc1)Br 62a_100011740612_100011217306 [0,2,0,0,0,0|2,0,0]=4 12957 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011217306_100011713675 [0,2,0,0,0,0|2,0,0]=4 12958 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011713675_100011217306 [0,2,0,0,0,0|2,0,0]=4 12959 B13R1.9 FCCSCCc1ccc(cc1)F 62a_100011217306_100011217392 [0,2,0,0,0,0|2,0,0]=4 12960 B13R1.9 FCCSCCc1ccc(cc1)F 62a_100011217392_100011217306 [0,2,0,0,0,0|2,0,0]=4 12961 B13R1.9 FCNCCCc1ccc(cc1)Br 34a_100011297623_100015361967 [0,2,0,0,0,0|2,0,0]=4 12962 B13R1.9 FCNCCCc1ccc(cc1)Cl 34a_100000748451_100015361967 [0,2,0,0,0,0|2,0,0]=4 12963 B13R1.9 FCNCCCc1ccc(cc1)F 34a_100025745824_100015361967 [0,2,0,0,0,0|2,0,0]=4 12964 B13R1.9 FCOCCCc1ccc(cc1)Br 34a_100011709247_100015361967 [0,2,0,0,0,0|2,0,0]=4 12965 B13R1.9 FCOCCCc1ccc(cc1)Br 7a_100011709247_100015361967 [0,2,0,0,0,0|2,0,0]=4 12966 B13R1.9 FCOCCCc1ccc(cc1)Cl 34a_100011217485_100015361967 [0,2,0,0,0,0|2,0,0]=4 12967 B13R1.9 FCOCCCc1ccc(cc1)Cl 7a_100011217485_100015361967 [0,2,0,0,0,0|2,0,0]=4 12968 B13R1.9 FCOCCCc1ccc(cc1)F 34a_100000757351_100015361967 [0,2,0,0,0,0|2,0,0]=4 12969 B13R1.9 FCOCCCc1ccc(cc1)F 7a_100000757351_100015361967 [0,2,0,0,0,0|2,0,0]=4 12970 B13R1.9 FCSCCCc1ccc(cc1)Br 62a_100011713682_100015361967 [0,2,0,0,0,0|2,0,0]=4 12971 B13R1.9 FCSCCCc1ccc(cc1)Br 62a_100015361967_100011713682 [0,2,0,0,0,0|2,0,0]=4 12972 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100000759440_100015361967 [0,2,0,0,0,0|2,0,0]=4 12973 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100015361967_100000759440 [0,2,0,0,0,0|2,0,0]=4 12974 B13R1.9 FCSCCCc1ccc(cc1)F 62a_100015361967_200011713563 [0,2,0,0,0,0|2,0,0]=4 12975 B13R1.9 FCSCCCc1ccc(cc1)F 62a_200011713563_100015361967 [0,2,0,0,0,0|2,0,0]=4 12976 B13R1.9 Fc1ccc(cc1)CCOCCBr 34a_100000211926_100011217392 [0,2,0,0,0,0|2,0,0]=4 12977 B13R1.9 Fc1ccc(cc1)COCCCBr 34a_100011217188_100000198546 [0,2,0,0,0,0|2,0,0]=4 12978 B13R1.9 Fc1ccc(cc1)COCCCCl 34a_100000230001_100000198546 [0,2,0,0,0,0|2,0,0]=4 12979 B13R1.9 Fc1ccc(nc1)COCCCBr 34a_100011217188_100000703193 [0,2,0,0,0,0|1,0,0]=3 12980 B13R1.9 Fc1ccc(nc1)COCCCCl 34a_100000230001_100000703193 [0,2,0,0,0,0|1,0,0]=3 12981 B13R1.9 N#CCCCSc1ccc(cn1)Br 62a_100000686858_100000687738 [0,2,0,0,0,0|1,0,1]=4 12982 B13R1.9 N#CCCCSc1ccc(cn1)Br 62a_100000687738_100000686858 [0,2,0,0,0,0|1,0,1]=4 12983 B13R1.9 N#CCCCSc1ccc(cn1)Cl 62a_100000687738_100011356976 [0,2,0,0,0,0|1,0,1]=4 12984 B13R1.9 N#CCCCSc1ccc(cn1)Cl 62a_100011356976_100000687738 [0,2,0,0,0,0|1,0,1]=4 12985 B13R1.9 N#CCCCSc1ccc(cn1)F 62a_100000687738_100000744514 [0,2,0,0,0,0|1,0,1]=4 12986 B13R1.9 N#CCCCSc1ccc(cn1)F 62a_100000744514_100000687738 [0,2,0,0,0,0|1,0,1]=4 12987 B13R1.9 N#CCCCSc1ccc(cn1)N 62a_100000687738_100000737798 [0,2,0,0,0,0|1,0,1]=4 12988 B13R1.9 N#CCCCSc1ccc(cn1)N 62a_100000737798_100000687738 [0,2,0,0,0,0|1,0,1]=4 12989 B13R1.9 N#CCCCSc1ccc(cn1)O 62a_100000685995_100000687738 [0,2,0,0,0,0|1,0,1]=4 12990 B13R1.9 N#CCCCSc1ccc(cn1)O 62a_100000687738_100000744096 [0,2,0,0,0,0|1,0,1]=4 12991 B13R1.9 N#CCCNCc1ccc(cn1)Br 270004a_100000720768_100000754260 [0,2,0,0,0,0|1,0,1]=4 12992 B13R1.9 N#CCCNCc1ccc(cn1)Cl 270004a_100000720768_100011361569 [0,2,0,0,0,0|1,0,1]=4 12993 B13R1.9 N#CCCNCc1ccc(cn1)F 270004a_100000720768_100011934744 [0,2,0,0,0,0|1,0,1]=4 12994 B13R1.9 N#CCCSCc1ccc(cn1)Br 62a_100000702658_100011215226 [0,2,0,0,0,0|1,0,1]=4 12995 B13R1.9 N#CCCSCc1ccc(cn1)Br 62a_100011215226_100000702658 [0,2,0,0,0,0|1,0,1]=4 12996 B13R1.9 N#CCCSCc1ccc(cn1)Cl 62a_100011215226_100000697101 [0,2,0,0,0,0|1,0,1]=4 12997 B13R1.9 N#CCCSCc1ccc(cn1)Cl 62a_100012066911_100011215226 [0,2,0,0,0,0|1,0,1]=4 12998 B13R1.9 N#CCCSCc1ccc(cn1)F 62a_100000703193_100011215226 [0,2,0,0,0,0|1,0,1]=4 12999 B13R1.9 N#CCCSCc1ccc(cn1)F 62a_100011215226_100000703193 [0,2,0,0,0,0|1,0,1]=4 13000 B13R1.9 NCCCOCc1ccc(cc1)Br 34a_100000182051_100000189115 [0,2,0,0,0,0|2,0,0]=4 13001 B13R1.9 NCCCOCc1ccc(cc1)Cl 34a_100000182051_100000694040 [0,2,0,0,0,0|2,0,0]=4 13002 B13R1.9 NCCCOCc1ccc(cc1)F 34a_100000182051_100000198546 [0,2,0,0,0,0|2,0,0]=4 13003 B13R1.9 NCCCOCc1ccc(cc1)I 34a_100000182051_100000189116 [0,2,0,0,0,0|2,0,0]=4 13004 B13R1.9 NCCCOCc1ccc(cn1)Br 34a_100000182051_100000702658 [0,2,0,0,0,0|1,0,0]=3 13005 B13R1.9 NCCCOCc1ccc(cn1)Cl 34a_100000182051_100012066911 [0,2,0,0,0,0|1,0,0]=3 13006 B13R1.9 NCCCOCc1ccc(cn1)F 34a_100000182051_100000703193 [0,2,0,0,0,0|1,0,0]=3 13007 B13R1.9 NCCCOCc1ccc(nn1)Cl 34a_100000182051_100016992710 [0,2,0,0,0,0|2,0,0]=4 13008 B13R1.9 NCCCOCc1ncc(cn1)Br 34a_100000182051_100010064664 [0,2,0,0,0,0|2,0,0]=4 13009 B13R1.9 NCCOCCc1ccc(cc1)Br 34a_100000210304_100011740612 [0,2,0,0,0,0|2,0,0]=4 13010 B13R1.9 NCCOCCc1ccc(cc1)Cl 34a_100000210304_100011713675 [0,2,0,0,0,0|2,0,0]=4 13011 B13R1.9 NCCOCCc1ccc(cc1)F 34a_100000210304_100011217392 [0,2,0,0,0,0|2,0,0]=4 13012 B13R1.9 NOCCOCc1ccc(cn1)Br 34a_100000700252_100000702658 [0,2,0,0,0,0|2,0,0]=4 13013 B13R1.9 NOCCOCc1ccc(cn1)Cl 34a_100000700252_100012066911 [0,2,0,0,0,0|2,0,0]=4 13014 B13R1.9 NOCCOCc1ccc(cn1)F 34a_100000700252_100000703193 [0,2,0,0,0,0|2,0,0]=4 13015 B13R1.9 Nc1ccc(cc1)CCOCCF 34a_100011204434_100011217306 [0,2,0,0,0,0|2,0,0]=4 13016 B13R1.9 Nc1ccc(cc1)CCOCCO 34a_100011204434_100000211926 [0,2,0,0,0,0|2,0,0]=4 13017 B13R1.9 Nc1ccc(cc1)COCCCF 34a_100011215238_100011934791 [0,2,0,0,0,0|2,0,0]=4 13018 B13R1.9 Nc1ccc(cc1)COCCCO 34a_100011215238_100000230001 [0,2,0,0,0,0|2,0,0]=4 13019 B13R1.9 Nc1ccc(cc1)OCCCCF 34a_100000185829_100000729493 [0,2,0,0,0,0|2,0,0]=4 13020 B13R1.9 Nc1ccc(cc1)OCCCCO 34a_100000185829_100011216708 [0,2,0,0,0,0|2,0,0]=4 13021 B13R1.9 Nc1ccc(cc1)SCCCCF 62a_100000185761_100000729493 [0,2,0,0,0,0|2,0,0]=4 13022 B13R1.9 Nc1ccc(cc1)SCCCCF 62a_100000729493_100000185761 [0,2,0,0,0,0|2,0,0]=4 13023 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000185761_100000210776 [0,2,0,0,0,0|2,0,0]=4 13024 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000210776_100000185761 [0,2,0,0,0,0|2,0,0]=4 13025 B13R1.9 Nc1ccc(nc1)COCCCF 34a_100011998161_100011934791 [0,2,0,0,0,0|1,0,0]=3 13026 B13R1.9 Nc1ccc(nc1)COCCCO 34a_100011998161_100000230001 [0,2,0,0,0,0|1,0,0]=3 13027 B13R1.9 Nc1ccc(nc1)OCCCCF 34a_100000729260_100000729493 [0,2,0,0,0,0|1,0,0]=3 13028 B13R1.9 Nc1ccc(nc1)OCCCCO 34a_100000729260_100011216708 [0,2,0,0,0,0|1,0,0]=3 13029 B13R1.9 Nc1ccc(nc1)OCCOCF 34a_100102662783_100015361967 [0,2,0,0,0,0|2,0,0]=4 13030 B13R1.9 Nc1ccc(nc1)SCCCC=O 62a_100000737798_200011292268 [0,2,0,0,0,0|1,0,1]=4 13031 B13R1.9 Nc1ccc(nc1)SCCCC=O 62a_200011292268_100000737798 [0,2,0,0,0,0|1,0,1]=4 13032 B13R1.9 Nc1ccc(nc1)SCCCCF 62a_100000729493_100000737798 [0,2,0,0,0,0|1,0,0]=3 13033 B13R1.9 Nc1ccc(nc1)SCCCCF 62a_100000737798_100000729493 [0,2,0,0,0,0|1,0,0]=3 13034 B13R1.9 Nc1ccc(nc1)SCCCCO 62a_100000210776_100000737798 [0,2,0,0,0,0|1,0,0]=3 13035 B13R1.9 Nc1ccc(nc1)SCCCCO 62a_100000737798_100000210776 [0,2,0,0,0,0|1,0,0]=3 13036 B13R1.9 Nc1ccc(nn1)SCCCCF 62a_100000729493_100010219413 [0,2,0,0,0,0|2,0,0]=4 13037 B13R1.9 Nc1ccc(nn1)SCCCCF 62a_100010219413_100000729493 [0,2,0,0,0,0|2,0,0]=4 13038 B13R1.9 Nc1ccc(nn1)SCCCCO 62a_100000210776_100010219413 [0,2,0,0,0,0|2,0,0]=4 13039 B13R1.9 Nc1ccc(nn1)SCCCCO 62a_100010219413_100000210776 [0,2,0,0,0,0|2,0,0]=4 13040 B13R1.9 Nc1cnc(cn1)SCCCCF 62a_100000729493_100000744751 [0,2,0,0,0,0|2,0,0]=4 13041 B13R1.9 Nc1cnc(cn1)SCCCCF 62a_100000744751_100000729493 [0,2,0,0,0,0|2,0,0]=4 13042 B13R1.9 Nc1cnc(cn1)SCCCCO 62a_100000210776_100000744751 [0,2,0,0,0,0|2,0,0]=4 13043 B13R1.9 Nc1cnc(cn1)SCCCCO 62a_100000744751_100000210776 [0,2,0,0,0,0|2,0,0]=4 13044 B13R1.9 Nc1cnc(nc1)SCCCCF 62a_100000068403_100000729493 [0,2,0,0,0,0|2,0,0]=4 13045 B13R1.9 Nc1cnc(nc1)SCCCCF 62a_100000729493_100000068403 [0,2,0,0,0,0|2,0,0]=4 13046 B13R1.9 Nc1cnc(nc1)SCCCCO 62a_100000068403_100000210776 [0,2,0,0,0,0|2,0,0]=4 13047 B13R1.9 Nc1cnc(nc1)SCCCCO 62a_100000210776_100000068403 [0,2,0,0,0,0|2,0,0]=4 13048 B13R1.9 O=CCCCSc1ccc(cn1)Br 62a_100000686858_200011292268 [0,2,0,0,0,0|1,0,1]=4 13049 B13R1.9 O=CCCCSc1ccc(cn1)Br 62a_200011292268_100000686858 [0,2,0,0,0,0|1,0,1]=4 13050 B13R1.9 O=CCCCSc1ccc(cn1)Cl 62a_100011356976_200011292268 [0,2,0,0,0,0|1,0,1]=4 13051 B13R1.9 O=CCCCSc1ccc(cn1)Cl 62a_200011292268_100011356976 [0,2,0,0,0,0|1,0,1]=4 13052 B13R1.9 O=CCCCSc1ccc(cn1)F 62a_100000744514_200011292268 [0,2,0,0,0,0|1,0,1]=4 13053 B13R1.9 O=CCCCSc1ccc(cn1)F 62a_200011292268_100000744514 [0,2,0,0,0,0|1,0,1]=4 13054 B13R1.9 O=CCCCSc1ccc(cn1)O 62a_100000685995_200011292268 [0,2,0,0,0,0|1,0,1]=4 13055 B13R1.9 O=CCCCSc1ccc(cn1)O 62a_200011292268_100000744096 [0,2,0,0,0,0|1,0,1]=4 13056 B13R1.9 O=CCOCCc1ccc(cn1)Br 34a_100012357577_200009817547 [0,2,0,0,0,0|1,0,1]=4 13057 B13R1.9 O=c1ccc(n[nH]1)CNCCCF 207a_100015189416_100011361533 [0,2,0,0,0,0|2,0,0]=4 13058 B13R1.9 O=c1ccc(n[nH]1)CNCCCF 270004a_100015189416_100011361533 [0,2,0,0,0,0|2,0,0]=4 13059 B13R1.9 O=c1ccc(n[nH]1)CNCCCO 207a_100000182051_100011361533 [0,2,0,0,0,0|2,0,0]=4 13060 B13R1.9 O=c1ccc(n[nH]1)CNCCCO 270004a_100000182051_100011361533 [0,2,0,0,0,0|2,0,0]=4 13061 B13R1.9 O=c1ccc(n[nH]1)SCCCCF 62a_100000729493_100009820020 [0,2,0,0,0,0|2,0,0]=4 13062 B13R1.9 O=c1ccc(n[nH]1)SCCCCF 62a_100009820020_100000729493 [0,2,0,0,0,0|2,0,0]=4 13063 B13R1.9 O=c1ccc(n[nH]1)SCCCCO 62a_100000210776_100009820020 [0,2,0,0,0,0|2,0,0]=4 13064 B13R1.9 O=c1ccc(n[nH]1)SCCCCO 62a_100009820020_100000210776 [0,2,0,0,0,0|2,0,0]=4 13065 B13R1.9 OCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210776 [0,2,0,0,0,0|2,0,0]=4 13066 B13R1.9 OCCCCNc1ccc(cc1)Br 34a_100000210018_100011216708 [0,2,0,0,0,0|2,0,0]=4 13067 B13R1.9 OCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210776 [0,2,0,0,0,0|2,0,0]=4 13068 B13R1.9 OCCCCNc1ccc(cc1)Cl 34a_100000210052_100011216708 [0,2,0,0,0,0|2,0,0]=4 13069 B13R1.9 OCCCCNc1ccc(cc1)F 34a_100000185862_100011216708 [0,2,0,0,0,0|2,0,0]=4 13070 B13R1.9 OCCCCNc1ccc(cc1)I 34a_100000185761_100011216708 [0,2,0,0,0,0|2,0,0]=4 13071 B13R1.9 OCCCCNc1ccc(cc1)O 34a_100000185829_100011216708 [0,2,0,0,0,0|2,0,0]=4 13072 B13R1.9 OCCCCNc1ccc(cn1)Br 27a_100000750430_100000686858 [0,2,0,0,0,0|1,0,0]=3 13073 B13R1.9 OCCCCNc1cnc(cn1)Br 27a_100000750430_100010187541 [0,2,0,0,0,0|2,0,0]=4 13074 B13R1.9 OCCCCNc1cnc(cn1)F 27a_100000750430_100009856528 [0,2,0,0,0,0|2,0,0]=4 13075 B13R1.9 OCCCCNc1ncc(cn1)Br 27a_100000750430_100000690281 [0,2,0,0,0,0|2,0,0]=4 13076 B13R1.9 OCCCCNc1ncc(cn1)Cl 27a_100000750430_100011356929 [0,2,0,0,0,0|2,0,0]=4 13077 B13R1.9 OCCCCNc1ncc(cn1)F 27a_100000750430_100000685220 [0,2,0,0,0,0|2,0,0]=4 13078 B13R1.9 OCCCCOc1ccc(cc1)Br 34a_100000185759_100011216708 [0,2,0,0,0,0|2,0,0]=4 13079 B13R1.9 OCCCCOc1ccc(cc1)Br 7a_100000185759_100000210776 [0,2,0,0,0,0|2,0,0]=4 13080 B13R1.9 OCCCCOc1ccc(cc1)Cl 34a_100000210216_100011216708 [0,2,0,0,0,0|2,0,0]=4 13081 B13R1.9 OCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210776 [0,2,0,0,0,0|2,0,0]=4 13082 B13R1.9 OCCCCOc1ccc(cc1)F 34a_100000210339_100011216708 [0,2,0,0,0,0|2,0,0]=4 13083 B13R1.9 OCCCCOc1ccc(cc1)I 34a_100000212066_100011216708 [0,2,0,0,0,0|2,0,0]=4 13084 B13R1.9 OCCCCOc1ccc(cc1)I 7a_100000212066_100000210776 [0,2,0,0,0,0|2,0,0]=4 13085 B13R1.9 OCCCCOc1ccc(cn1)Cl 34a_100011215309_100011216708 [0,2,0,0,0,0|1,0,0]=3 13086 B13R1.9 OCCCCOc1ccc(cn1)F 34a_100000742473_100011216708 [0,2,0,0,0,0|1,0,0]=3 13087 B13R1.9 OCCCCOc1cnc(cn1)Br 34a_100011934580_100011216708 [0,2,0,0,0,0|2,0,0]=4 13088 B13R1.9 OCCCCOc1cnc(cn1)Cl 34a_100015839800_100011216708 [0,2,0,0,0,0|2,0,0]=4 13089 B13R1.9 OCCCCOc1ncc(cn1)F 34a_100011934040_100011216708 [0,2,0,0,0,0|2,0,0]=4 13090 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000210776_100000752885 [0,2,0,0,0,0|2,0,0]=4 13091 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000752885_100000210776 [0,2,0,0,0,0|2,0,0]=4 13092 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000210776_100000755918 [0,2,0,0,0,0|2,0,0]=4 13093 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210776 [0,2,0,0,0,0|2,0,0]=4 13094 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000210776_100000211213 [0,2,0,0,0,0|2,0,0]=4 13095 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000211213_100000210776 [0,2,0,0,0,0|2,0,0]=4 13096 B13R1.9 OCCCCSc1ccc(cc1)O 62a_100000210776_100000185759 [0,2,0,0,0,0|2,0,0]=4 13097 B13R1.9 OCCCCSc1ccc(cn1)Br 62a_100000210776_100000686858 [0,2,0,0,0,0|1,0,0]=3 13098 B13R1.9 OCCCCSc1ccc(cn1)Br 62a_100000686858_100000210776 [0,2,0,0,0,0|1,0,0]=3 13099 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100000210776_100011356976 [0,2,0,0,0,0|1,0,0]=3 13100 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210776 [0,2,0,0,0,0|1,0,0]=3 13101 B13R1.9 OCCCCSc1ccc(cn1)F 62a_100000210776_100000744514 [0,2,0,0,0,0|1,0,0]=3 13102 B13R1.9 OCCCCSc1ccc(cn1)F 62a_100000744514_100000210776 [0,2,0,0,0,0|1,0,0]=3 13103 B13R1.9 OCCCCSc1ccc(cn1)O 62a_100000210776_100000744096 [0,2,0,0,0,0|1,0,0]=3 13104 B13R1.9 OCCCCSc1ccc(cn1)O 62a_100000685995_100000210776 [0,2,0,0,0,0|1,0,0]=3 13105 B13R1.9 OCCCCSc1ccc(nn1)Cl 62a_100000068654_100000210776 [0,2,0,0,0,0|2,0,0]=4 13106 B13R1.9 OCCCCSc1ccc(nn1)Cl 62a_100000210776_100000068654 [0,2,0,0,0,0|2,0,0]=4 13107 B13R1.9 OCCCCSc1cnc(cn1)Br 62a_100000210776_100010187541 [0,2,0,0,0,0|2,0,0]=4 13108 B13R1.9 OCCCCSc1cnc(cn1)Br 62a_100010187541_100000210776 [0,2,0,0,0,0|2,0,0]=4 13109 B13R1.9 OCCCCSc1cnc(cn1)Cl 62a_100000210776_100010214907 [0,2,0,0,0,0|2,0,0]=4 13110 B13R1.9 OCCCCSc1cnc(cn1)Cl 62a_100010214907_100000210776 [0,2,0,0,0,0|2,0,0]=4 13111 B13R1.9 OCCCCSc1cnc(cn1)F 62a_100000210776_100009856528 [0,2,0,0,0,0|2,0,0]=4 13112 B13R1.9 OCCCCSc1cnc(cn1)F 62a_100009856528_100000210776 [0,2,0,0,0,0|2,0,0]=4 13113 B13R1.9 OCCCCSc1cnc(cn1)O 62a_100000210776_100015839800 [0,2,0,0,0,0|2,0,0]=4 13114 B13R1.9 OCCCCSc1cnc(cn1)O 62a_100011934580_100000210776 [0,2,0,0,0,0|2,0,0]=4 13115 B13R1.9 OCCCCSc1ncc(cn1)Br 62a_100000210776_100000690281 [0,2,0,0,0,0|2,0,0]=4 13116 B13R1.9 OCCCCSc1ncc(cn1)Br 62a_100000690281_100000210776 [0,2,0,0,0,0|2,0,0]=4 13117 B13R1.9 OCCCCSc1ncc(cn1)Cl 62a_100000210776_100011356929 [0,2,0,0,0,0|2,0,0]=4 13118 B13R1.9 OCCCCSc1ncc(cn1)Cl 62a_100011356929_100000210776 [0,2,0,0,0,0|2,0,0]=4 13119 B13R1.9 OCCCCSc1ncc(cn1)F 62a_100000210776_100000685220 [0,2,0,0,0,0|2,0,0]=4 13120 B13R1.9 OCCCCSc1ncc(cn1)F 62a_100000685220_100000210776 [0,2,0,0,0,0|2,0,0]=4 13121 B13R1.9 OCCCCSc1ncc(cn1)O 62a_100000210776_100000092845 [0,2,0,0,0,0|2,0,0]=4 13122 B13R1.9 OCCCCSc1ncc(cn1)O 62a_100000730009_100000210776 [0,2,0,0,0,0|2,0,0]=4 13123 B13R1.9 OCCCNCc1ccc(cc1)Br 207a_100000182051_100000186029 [0,2,0,0,0,0|2,0,0]=4 13124 B13R1.9 OCCCNCc1ccc(cc1)Br 2230a_100000174875_100000230001 [0,2,0,0,0,0|2,0,0]=4 13125 B13R1.9 OCCCNCc1ccc(cc1)Br 270004a_100000182051_100000186029 [0,2,0,0,0,0|2,0,0]=4 13126 B13R1.9 OCCCNCc1ccc(cc1)Br 34a_100000174875_100000230001 [0,2,0,0,0,0|2,0,0]=4 13127 B13R1.9 OCCCNCc1ccc(cc1)Cl 207a_100000182051_100000189385 [0,2,0,0,0,0|2,0,0]=4 13128 B13R1.9 OCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000230001 [0,2,0,0,0,0|2,0,0]=4 13129 B13R1.9 OCCCNCc1ccc(cc1)Cl 270004a_100000182051_100000189385 [0,2,0,0,0,0|2,0,0]=4 13130 B13R1.9 OCCCNCc1ccc(cc1)Cl 34a_100000174871_100000230001 [0,2,0,0,0,0|2,0,0]=4 13131 B13R1.9 OCCCNCc1ccc(cc1)F 207a_100000182051_100000210084 [0,2,0,0,0,0|2,0,0]=4 13132 B13R1.9 OCCCNCc1ccc(cc1)F 2230a_100000174882_100000230001 [0,2,0,0,0,0|2,0,0]=4 13133 B13R1.9 OCCCNCc1ccc(cc1)F 270004a_100000182051_100000210084 [0,2,0,0,0,0|2,0,0]=4 13134 B13R1.9 OCCCNCc1ccc(cc1)F 34a_100000174882_100000230001 [0,2,0,0,0,0|2,0,0]=4 13135 B13R1.9 OCCCNCc1ccc(cc1)I 207a_100000182051_100000188517 [0,2,0,0,0,0|2,0,0]=4 13136 B13R1.9 OCCCNCc1ccc(cc1)I 2230a_100016989417_100000230001 [0,2,0,0,0,0|2,0,0]=4 13137 B13R1.9 OCCCNCc1ccc(cc1)I 34a_100016989417_100000230001 [0,2,0,0,0,0|2,0,0]=4 13138 B13R1.9 OCCCNCc1ccc(cc1)O 34a_100000185549_100000230001 [0,2,0,0,0,0|2,0,0]=4 13139 B13R1.9 OCCCNCc1ccc(cn1)Br 207a_100000182051_100000754260 [0,2,0,0,0,0|1,0,0]=3 13140 B13R1.9 OCCCNCc1ccc(cn1)Br 270004a_100000182051_100000754260 [0,2,0,0,0,0|1,0,0]=3 13141 B13R1.9 OCCCNCc1ccc(cn1)Br 34a_100015188789_100000230001 [0,2,0,0,0,0|1,0,0]=3 13142 B13R1.9 OCCCNCc1ccc(cn1)Cl 207a_100000182051_100011361569 [0,2,0,0,0,0|1,0,0]=3 13143 B13R1.9 OCCCNCc1ccc(cn1)Cl 270004a_100000182051_100011361569 [0,2,0,0,0,0|1,0,0]=3 13144 B13R1.9 OCCCNCc1ccc(cn1)Cl 34a_100000697193_100000230001 [0,2,0,0,0,0|1,0,0]=3 13145 B13R1.9 OCCCNCc1ccc(cn1)F 207a_100000182051_100011934744 [0,2,0,0,0,0|1,0,0]=3 13146 B13R1.9 OCCCNCc1ccc(cn1)F 270004a_100000182051_100011934744 [0,2,0,0,0,0|1,0,0]=3 13147 B13R1.9 OCCCNCc1ccc(cn1)F 34a_100020620131_100000230001 [0,2,0,0,0,0|1,0,0]=3 13148 B13R1.9 OCCCNCc1ccc(nn1)Cl 270004a_100000182051_100000044651 [0,2,0,0,0,0|2,0,0]=4 13149 B13R1.9 OCCCNCc1cnc(cn1)Cl 270004a_100000182051_100012001714 [0,2,0,0,0,0|2,0,0]=4 13150 B13R1.9 OCCCOCc1ccc(cc1)Br 34a_100000695286_100000230001 [0,2,0,0,0,0|2,0,0]=4 13151 B13R1.9 OCCCOCc1ccc(cc1)Cl 34a_100000211118_100000230001 [0,2,0,0,0,0|2,0,0]=4 13152 B13R1.9 OCCCOCc1ccc(cc1)Cl 7a_100000211118_100011215043 [0,2,0,0,0,0|2,0,0]=4 13153 B13R1.9 OCCCOCc1ccc(cc1)F 34a_100000210977_100000230001 [0,2,0,0,0,0|2,0,0]=4 13154 B13R1.9 OCCCOCc1ccc(cc1)F 7a_100000210977_100011215043 [0,2,0,0,0,0|2,0,0]=4 13155 B13R1.9 OCCCOCc1ccc(cc1)I 34a_100000690907_100000230001 [0,2,0,0,0,0|2,0,0]=4 13156 B13R1.9 OCCCOCc1ccc(cc1)I 7a_100000690907_100011215043 [0,2,0,0,0,0|2,0,0]=4 13157 B13R1.9 OCCCOCc1ccc(cn1)Br 34a_100000754261_100000230001 [0,2,0,0,0,0|1,0,0]=3 13158 B13R1.9 OCCCOCc1ccc(cn1)Cl 34a_100000703999_100000230001 [0,2,0,0,0,0|1,0,0]=3 13159 B13R1.9 OCCCOCc1ccc(cn1)F 34a_100011999454_100000230001 [0,2,0,0,0,0|1,0,0]=3 13160 B13R1.9 OCCCOCc1cnc(cn1)Cl 34a_100012002382_100000230001 [0,2,0,0,0,0|2,0,0]=4 13161 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100000189115_100011215043 [0,2,0,0,0,0|2,0,0]=4 13162 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100011215043_100000189115 [0,2,0,0,0,0|2,0,0]=4 13163 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100000187161_100011215043 [0,2,0,0,0,0|2,0,0]=4 13164 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100011215043_100000187161 [0,2,0,0,0,0|2,0,0]=4 13165 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100000198546_100011215043 [0,2,0,0,0,0|2,0,0]=4 13166 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100011215043_100000187164 [0,2,0,0,0,0|2,0,0]=4 13167 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100000189116_100011215043 [0,2,0,0,0,0|2,0,0]=4 13168 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100011215043_100000189116 [0,2,0,0,0,0|2,0,0]=4 13169 B13R1.9 OCCCSCc1ccc(cn1)Br 62a_100000702658_100011215043 [0,2,0,0,0,0|1,0,0]=3 13170 B13R1.9 OCCCSCc1ccc(cn1)Br 62a_100011215043_100000702658 [0,2,0,0,0,0|1,0,0]=3 13171 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100011215043_100000697101 [0,2,0,0,0,0|1,0,0]=3 13172 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100012066911_100011215043 [0,2,0,0,0,0|1,0,0]=3 13173 B13R1.9 OCCCSCc1ccc(cn1)F 62a_100000703193_100011215043 [0,2,0,0,0,0|1,0,0]=3 13174 B13R1.9 OCCCSCc1ccc(cn1)F 62a_100011215043_100000703193 [0,2,0,0,0,0|1,0,0]=3 13175 B13R1.9 OCCCSCc1ccc(nn1)Cl 62a_100011215043_100016992710 [0,2,0,0,0,0|2,0,0]=4 13176 B13R1.9 OCCCSCc1ccc(nn1)Cl 62a_100016992710_100011215043 [0,2,0,0,0,0|2,0,0]=4 13177 B13R1.9 OCCCSCc1ncc(cn1)Br 62a_100010064664_100011215043 [0,2,0,0,0,0|2,0,0]=4 13178 B13R1.9 OCCCSCc1ncc(cn1)Br 62a_100011215043_100010064664 [0,2,0,0,0,0|2,0,0]=4 13179 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100000755846_100000211926 [0,2,0,0,0,0|2,0,0]=4 13180 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100016997473_100011740612 [0,2,0,0,0,0|2,0,0]=4 13181 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100000755846_100000211926 [0,2,0,0,0,0|2,0,0]=4 13182 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100016990907_100011740612 [0,2,0,0,0,0|2,0,0]=4 13183 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000211926 [0,2,0,0,0,0|2,0,0]=4 13184 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100016997473_100011713675 [0,2,0,0,0,0|2,0,0]=4 13185 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100000185265_100000211926 [0,2,0,0,0,0|2,0,0]=4 13186 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100016990907_100011713675 [0,2,0,0,0,0|2,0,0]=4 13187 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100000199005_100000211926 [0,2,0,0,0,0|2,0,0]=4 13188 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100016997473_100011217392 [0,2,0,0,0,0|2,0,0]=4 13189 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100000199005_100000211926 [0,2,0,0,0,0|2,0,0]=4 13190 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100016990907_100011217392 [0,2,0,0,0,0|2,0,0]=4 13191 B13R1.9 OCCNCCc1ccc(cc1)O 2230a_100016997473_100009816426 [0,2,0,0,0,0|2,0,0]=4 13192 B13R1.9 OCCNCCc1ccc(cc1)O 34a_100000743037_100000211926 [0,2,0,0,0,0|2,0,0]=4 13193 B13R1.9 OCCOCCc1ccc(cc1)Br 34a_100000766406_100000211926 [0,2,0,0,0,0|2,0,0]=4 13194 B13R1.9 OCCOCCc1ccc(cc1)Br 7a_100000766406_100000211926 [0,2,0,0,0,0|2,0,0]=4 13195 B13R1.9 OCCOCCc1ccc(cc1)Cl 34a_100011219627_100000211926 [0,2,0,0,0,0|2,0,0]=4 13196 B13R1.9 OCCOCCc1ccc(cc1)Cl 7a_100011219627_100000211926 [0,2,0,0,0,0|2,0,0]=4 13197 B13R1.9 OCCOCCc1ccc(cc1)F 34a_100000754732_100000211926 [0,2,0,0,0,0|2,0,0]=4 13198 B13R1.9 OCCOCCc1ccc(cc1)F 7a_100000754732_100000211926 [0,2,0,0,0,0|2,0,0]=4 13199 B13R1.9 OCCOCCc1ccc(cc1)I 34a_100012291149_100000211926 [0,2,0,0,0,0|2,0,0]=4 13200 B13R1.9 OCCOCCc1ccc(cc1)I 7a_100012291149_100000211926 [0,2,0,0,0,0|2,0,0]=4 13201 B13R1.9 OCCOCCc1ccc(cn1)Br 34a_100012357577_100000211926 [0,2,0,0,0,0|1,0,0]=3 13202 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100000211926_100011740612 [0,2,0,0,0,0|2,0,0]=4 13203 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100011740612_100000211926 [0,2,0,0,0,0|2,0,0]=4 13204 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100000211926_100011713675 [0,2,0,0,0,0|2,0,0]=4 13205 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100011713675_100000211926 [0,2,0,0,0,0|2,0,0]=4 13206 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100000211926_100011217392 [0,2,0,0,0,0|2,0,0]=4 13207 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100011217392_100000211926 [0,2,0,0,0,0|2,0,0]=4 13208 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100000211926_100009816426 [0,2,0,0,0,0|2,0,0]=4 13209 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100009816426_100000211926 [0,2,0,0,0,0|2,0,0]=4 13210 B13R1.9 Oc1ccc(cc1)CCNCCF 34a_100000743037_100011217306 [0,2,0,0,0,0|2,0,0]=4 13211 B13R1.9 Oc1ccc(cc1)CCSCCF 62a_100009816426_100011217306 [0,2,0,0,0,0|2,0,0]=4 13212 B13R1.9 Oc1ccc(cc1)CCSCCF 62a_100011217306_100009816426 [0,2,0,0,0,0|2,0,0]=4 13213 B13R1.9 Oc1ccc(cc1)CNCCCF 34a_100000185549_100011934791 [0,2,0,0,0,0|2,0,0]=4 13214 B13R1.9 Oc1ccc(cc1)NCCCCF 34a_100000185829_100000729493 [0,2,0,0,0,0|2,0,0]=4 13215 B13R1.9 Oc1ccc(cc1)SCCCCF 62a_100000729493_100000185759 [0,2,0,0,0,0|2,0,0]=4 13216 B13R1.9 Oc1ccc(nc1)SCCCCF 62a_100000685995_100000729493 [0,2,0,0,0,0|1,0,0]=3 13217 B13R1.9 Oc1ccc(nc1)SCCCCF 62a_100000729493_100000744096 [0,2,0,0,0,0|1,0,0]=3 13218 B13R1.9 Oc1cnc(cn1)SCCCCF 62a_100000729493_100015839800 [0,2,0,0,0,0|2,0,0]=4 13219 B13R1.9 Oc1cnc(cn1)SCCCCF 62a_100011934580_100000729493 [0,2,0,0,0,0|2,0,0]=4 13220 B13R1.9 Oc1cnc(nc1)SCCCCF 62a_100000729493_100000092845 [0,2,0,0,0,0|2,0,0]=4 13221 B13R1.9 Oc1cnc(nc1)SCCCCF 62a_100000730009_100000729493 [0,2,0,0,0,0|2,0,0]=4 13222 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 2230a_100160821348_200025704644 [0,2,0,0,0,0|1,0,0]=3 13223 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 34a_100160821348_200025704644 [0,2,0,0,0,0|1,0,0]=3 13224 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 2230a_200011199081_200025704644 [0,2,0,0,0,0|2,0,0]=4 13225 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 34a_200011199081_200025704644 [0,2,0,0,0,0|2,0,0]=4 13226 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 2230a_100000747263_200025704644 [0,2,0,0,0,0|2,0,0]=4 13227 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 34a_100000747263_200025704644 [0,2,0,0,0,0|2,0,0]=4 13228 B13R1.9 [13CH3]NCCCSc1ccc(cc1)Cl 2230a_100000189518_200025704644 [0,2,0,0,0,0|2,0,0]=4 13229 B13R1.9 [13CH3]NCCCSc1ccc(cc1)F 2230a_100000683907_200025704644 [0,2,0,0,0,0|2,0,0]=4 13230 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 2230a_100000189180_200025704644 [0,2,0,0,0,0|2,0,0]=4 13231 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 34a_100000189180_200025704644 [0,2,0,0,0,0|2,0,0]=4 13232 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 2230a_100000739548_200025704644 [0,2,0,0,0,0|2,0,0]=4 13233 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 34a_100000739548_200025704644 [0,2,0,0,0,0|2,0,0]=4 13234 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 7a_100000739548_200025704644 [0,2,0,0,0,0|2,0,0]=4 13235 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 2230a_100020610864_200025704644 [0,2,0,0,0,0|2,0,0]=4 13236 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 34a_100020610864_200025704644 [0,2,0,0,0,0|2,0,0]=4 13237 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 7a_100020610864_200025704644 [0,2,0,0,0,0|2,0,0]=4 13238 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 34a_100000756186_200025704644 [0,2,0,0,0,0|2,0,0]=4 13239 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 7a_100000756186_200025704644 [0,2,0,0,0,0|2,0,0]=4 13240 B13R1.9 [13CH3]OCCCOc1ccc(cc1)N 34a_100000730458_200025704644 [0,2,0,0,0,0|2,0,0]=4 13241 B13R1.9 [13CH3]OCCNCc1ccc(cc1)Br 34a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 13242 B13R1.9 [13CH3]OCCNCc1ccc(cc1)F 34a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 13243 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 34a_200000186141_200025704644 [0,2,0,0,0,0|2,0,0]=4 13244 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 7a_200000186141_200025704644 [0,2,0,0,0,0|2,0,0]=4 13245 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200012094861_200025704644 [0,2,0,0,0,0|1,0,0]=3 13246 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200025704644_200012094861 [0,2,0,0,0,0|1,0,0]=3 13247 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_100012093538_200025704644 [0,2,0,0,0,0|1,0,0]=3 13248 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_200025704644_100012093538 [0,2,0,0,0,0|1,0,0]=3 13249 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_100011259224_200025704644 [0,2,0,0,0,0|2,0,0]=4 13250 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_200025704644_100011259224 [0,2,0,0,0,0|2,0,0]=4 13251 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_100000181347_200025704644 [0,2,0,0,0,0|2,0,0]=4 13252 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_200025704644_100000181347 [0,2,0,0,0,0|2,0,0]=4 13253 B13R1.14 CC(CF)OCc1ccc(cn1)Br 34a_100016041109_100000702658 [0,2,0,0,0,0|2,0,0]=4 13254 B13R1.14 CC(CF)OCc1ccc(cn1)Br 7a_100016041109_100000702658 [0,2,0,0,0,0|2,0,0]=4 13255 B13R1.14 CC(CF)OCc1ccc(cn1)Cl 34a_100016041109_100012066911 [0,2,0,0,0,0|2,0,0]=4 13256 B13R1.14 CC(CF)OCc1ccc(cn1)Cl 7a_100016041109_100012066911 [0,2,0,0,0,0|2,0,0]=4 13257 B13R1.14 CC(CF)OCc1ccc(cn1)F 34a_100016041109_100000703193 [0,2,0,0,0,0|2,0,0]=4 13258 B13R1.14 CC(CF)OCc1ccc(cn1)F 7a_100016041109_100000703193 [0,2,0,0,0,0|2,0,0]=4 13259 B13R1.14 CC(CN)OCc1ccc(cn1)Br 34a_100000210904_100000702658 [0,2,0,0,0,0|2,0,0]=4 13260 B13R1.14 CC(CN)OCc1ccc(cn1)Cl 34a_100000210904_100012066911 [0,2,0,0,0,0|2,0,0]=4 13261 B13R1.14 CC(CN)OCc1ccc(cn1)F 34a_100000210904_100000703193 [0,2,0,0,0,0|2,0,0]=4 13262 B13R1.14 CC(CO)CNc1ccc(cn1)Br 27a_100000744482_100000686858 [0,2,0,0,0,0|2,0,0]=4 13263 B13R1.14 CC(CO)NCc1ccc(cn1)Br 34a_100015188789_100012180447 [0,2,0,0,0,0|2,0,0]=4 13264 B13R1.14 CC(CO)NCc1ccc(cn1)Cl 34a_100000697193_100012180447 [0,2,0,0,0,0|2,0,0]=4 13265 B13R1.14 CC(CO)NCc1ccc(cn1)F 34a_100020620131_100012180447 [0,2,0,0,0,0|2,0,0]=4 13266 B13R1.14 CC(CO)OCc1ccc(cn1)Br 34a_100000754261_100012180447 [0,2,0,0,0,0|2,0,0]=4 13267 B13R1.14 CC(CO)OCc1ccc(cn1)Cl 34a_100000703999_100012180447 [0,2,0,0,0,0|2,0,0]=4 13268 B13R1.14 CC(CO)OCc1ccc(cn1)F 34a_100011999454_100012180447 [0,2,0,0,0,0|2,0,0]=4 13269 B13R1.14 CC(CO)OCc1ccc(cn1)N 34a_100011998161_100012180447 [0,2,0,0,0,0|2,0,0]=4 13270 B13R1.14 CC(CO)SCc1ccc(cn1)Br 62a_100012180447_100000702658 [0,2,0,0,0,0|2,0,0]=4 13271 B13R1.14 CC(CO)SCc1ccc(cn1)Cl 62a_100012180447_100000697101 [0,2,0,0,0,0|2,0,0]=4 13272 B13R1.14 CC(CO)SCc1ccc(cn1)F 62a_100012180447_100000703193 [0,2,0,0,0,0|2,0,0]=4 13273 B13R1.14 CCC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_100000210202 [0,2,0,0,0,0|1,0,1]=4 13274 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [0,2,0,0,0,0|1,0,1]=4 13275 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [0,2,0,0,0,0|1,0,1]=4 13276 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [0,2,0,0,0,0|1,0,1]=4 13277 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [0,2,0,0,0,0|1,0,1]=4 13278 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,2,0,0,0,0|1,0,1]=4 13279 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,2,0,0,0,0|1,0,1]=4 13280 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [0,2,0,0,0,0|1,0,1]=4 13281 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [0,2,0,0,0,0|1,0,1]=4 13282 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [0,2,0,0,0,0|1,0,1]=4 13283 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [0,2,0,0,0,0|1,0,1]=4 13284 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [0,2,0,0,0,0|1,0,1]=4 13285 B13R1.14 CCC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747405 [0,2,0,0,0,0|1,0,1]=4 13286 B13R1.14 CCC(=O)CSc1ccc(cn1)Br 62a_100000747405_100000686858 [0,2,0,0,0,0|1,0,1]=4 13287 B13R1.14 CCC(=O)CSc1ccc(cn1)C 62a_100000747405_100000754016 [0,2,0,0,0,0|1,0,1]=4 13288 B13R1.14 CCC(=O)CSc1ccc(cn1)C 62a_100011192072_100000747405 [0,2,0,0,0,0|1,0,1]=4 13289 B13R1.14 CCC(=O)CSc1ccc(cn1)Cl 62a_100000747405_100011356976 [0,2,0,0,0,0|1,0,1]=4 13290 B13R1.14 CCC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747405 [0,2,0,0,0,0|1,0,1]=4 13291 B13R1.14 CCC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747405 [0,2,0,0,0,0|1,0,1]=4 13292 B13R1.14 CCC(=O)CSc1ccc(cn1)F 62a_100000747405_100000744514 [0,2,0,0,0,0|1,0,1]=4 13293 B13R1.14 CCC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747405 [0,2,0,0,0,0|1,0,1]=4 13294 B13R1.14 CCC(=O)CSc1ccc(cn1)N 62a_100000747405_100000737798 [0,2,0,0,0,0|1,0,1]=4 13295 B13R1.14 CCC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747405 [0,2,0,0,0,0|1,0,1]=4 13296 B13R1.14 CCC(=O)CSc1ccc(cn1)O 62a_100000747405_100000744096 [0,2,0,0,0,0|1,0,1]=4 13297 B13R1.14 CCC(=O)NCc1ccc(cn1)Br 11a_100015188789_100000210414 [0,2,0,0,0,0|1,0,1]=4 13298 B13R1.14 CCC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100000210414 [0,2,0,0,0,0|1,0,1]=4 13299 B13R1.14 CCC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100000210414 [0,2,0,0,0,0|1,0,1]=4 13300 B13R1.14 CCC(=O)NCc1ccc(cn1)Br 527a_100015188789_100000210414 [0,2,0,0,0,0|1,0,1]=4 13301 B13R1.14 CCC(=O)NCc1ccc(cn1)C 11a_100015187455_100000210414 [0,2,0,0,0,0|1,0,1]=4 13302 B13R1.14 CCC(=O)NCc1ccc(cn1)C 1626a_100015187455_100000210414 [0,2,0,0,0,0|1,0,1]=4 13303 B13R1.14 CCC(=O)NCc1ccc(cn1)C 240690a_100015187455_100000210414 [0,2,0,0,0,0|1,0,1]=4 13304 B13R1.14 CCC(=O)NCc1ccc(cn1)C 527a_100015187455_100000210414 [0,2,0,0,0,0|1,0,1]=4 13305 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100000210414 [0,2,0,0,0,0|1,0,1]=4 13306 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100000210414 [0,2,0,0,0,0|1,0,1]=4 13307 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100000210414 [0,2,0,0,0,0|1,0,1]=4 13308 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100000210414 [0,2,0,0,0,0|1,0,1]=4 13309 B13R1.14 CCC(=O)NCc1ccc(cn1)F 11a_100020620131_100000210414 [0,2,0,0,0,0|1,0,1]=4 13310 B13R1.14 CCC(=O)NCc1ccc(cn1)F 1626a_100020620131_100000210414 [0,2,0,0,0,0|1,0,1]=4 13311 B13R1.14 CCC(=O)NCc1ccc(cn1)F 240690a_100020620131_100000210414 [0,2,0,0,0,0|1,0,1]=4 13312 B13R1.14 CCC(=O)NCc1ccc(cn1)F 527a_100020620131_100000210414 [0,2,0,0,0,0|1,0,1]=4 13313 B13R1.14 CCC(=O)NCc1ccc(cn1)O 240690a_100020605196_100000210414 [0,2,0,0,0,0|1,0,1]=4 13314 B13R1.14 CCC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748023 [0,2,0,0,0,0|2,0,0]=4 13315 B13R1.14 CCC(C)CNc1ccc(cc1)Br 34a_100000210018_100000748023 [0,2,0,0,0,0|2,0,0]=4 13316 B13R1.14 CCC(C)CNc1ccc(cc1)C 34a_100000124888_100000748023 [0,2,0,0,0,0|2,0,0]=4 13317 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748023 [0,2,0,0,0,0|2,0,0]=4 13318 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748023 [0,2,0,0,0,0|2,0,0]=4 13319 B13R1.14 CCC(C)CNc1ccc(cc1)F 34a_100000185862_100000748023 [0,2,0,0,0,0|2,0,0]=4 13320 B13R1.14 CCC(C)CNc1ccc(cc1)I 34a_100000185761_100000748023 [0,2,0,0,0,0|2,0,0]=4 13321 B13R1.14 CCC(C)CNc1ccc(cc1)O 34a_100000185829_100000748023 [0,2,0,0,0,0|2,0,0]=4 13322 B13R1.14 CCC(C)CNc1ccc(cn1)Br 27a_100020588543_100000686858 [0,2,0,0,0,0|1,0,0]=3 13323 B13R1.14 CCC(C)CNc1ccc(nn1)C 27a_100020588543_100000744512 [0,2,0,0,0,0|2,0,0]=4 13324 B13R1.14 CCC(C)CNc1cnc(cn1)Br 27a_100020588543_100010187541 [0,2,0,0,0,0|2,0,0]=4 13325 B13R1.14 CCC(C)CNc1cnc(cn1)C 27a_100020588543_100000074397 [0,2,0,0,0,0|2,0,0]=4 13326 B13R1.14 CCC(C)CNc1cnc(cn1)F 27a_100020588543_100009856528 [0,2,0,0,0,0|2,0,0]=4 13327 B13R1.14 CCC(C)CNc1ncc(cn1)Br 27a_100020588543_100000690281 [0,2,0,0,0,0|2,0,0]=4 13328 B13R1.14 CCC(C)CNc1ncc(cn1)C 27a_100020588543_100000061069 [0,2,0,0,0,0|2,0,0]=4 13329 B13R1.14 CCC(C)CNc1ncc(cn1)Cl 27a_100020588543_100011356929 [0,2,0,0,0,0|2,0,0]=4 13330 B13R1.14 CCC(C)CNc1ncc(cn1)F 27a_100020588543_100000685220 [0,2,0,0,0,0|2,0,0]=4 13331 B13R1.14 CCC(C)COc1ccc(cc1)Br 34a_100000185759_100000748023 [0,2,0,0,0,0|2,0,0]=4 13332 B13R1.14 CCC(C)COc1ccc(cc1)Br 7a_100000185759_100000748023 [0,2,0,0,0,0|2,0,0]=4 13333 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,2,0,0,0,0|2,0,0]=4 13334 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,2,0,0,0,0|2,0,0]=4 13335 B13R1.14 CCC(C)COc1ccc(cc1)Cl 34a_100000210216_100000748023 [0,2,0,0,0,0|2,0,0]=4 13336 B13R1.14 CCC(C)COc1ccc(cc1)Cl 7a_100000210216_100000748023 [0,2,0,0,0,0|2,0,0]=4 13337 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [0,2,0,0,0,0|2,0,0]=4 13338 B13R1.14 CCC(C)COc1ccc(cc1)I 34a_100000212066_100000748023 [0,2,0,0,0,0|2,0,0]=4 13339 B13R1.14 CCC(C)COc1ccc(cc1)I 7a_100000212066_100000748023 [0,2,0,0,0,0|2,0,0]=4 13340 B13R1.14 CCC(C)COc1ccc(cc1)N 34a_100000185829_100000748023 [0,2,0,0,0,0|2,0,0]=4 13341 B13R1.14 CCC(C)COc1ccc(cn1)C 34a_100000759353_100000748023 [0,2,0,0,0,0|1,0,0]=3 13342 B13R1.14 CCC(C)COc1ccc(cn1)Cl 34a_100011215309_100000748023 [0,2,0,0,0,0|1,0,0]=3 13343 B13R1.14 CCC(C)COc1ccc(cn1)F 34a_100000742473_100000748023 [0,2,0,0,0,0|1,0,0]=3 13344 B13R1.14 CCC(C)COc1ccc(cn1)N 34a_100000729260_100000748023 [0,2,0,0,0,0|1,0,0]=3 13345 B13R1.14 CCC(C)COc1cnc(cn1)Br 34a_100011934580_100000748023 [0,2,0,0,0,0|2,0,0]=4 13346 B13R1.14 CCC(C)COc1cnc(cn1)Cl 34a_100015839800_100000748023 [0,2,0,0,0,0|2,0,0]=4 13347 B13R1.14 CCC(C)COc1ncc(cn1)F 34a_100011934040_100000748023 [0,2,0,0,0,0|2,0,0]=4 13348 B13R1.14 CCC(C)CSc1ccc(=O)[nH]n1 62a_100000748023_100009820020 [0,2,0,0,0,0|2,0,0]=4 13349 B13R1.14 CCC(C)CSc1ccc(=O)[nH]n1 62a_100009820020_100000748023 [0,2,0,0,0,0|2,0,0]=4 13350 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000748023_100000752885 [0,2,0,0,0,0|2,0,0]=4 13351 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000752885_100000748023 [0,2,0,0,0,0|2,0,0]=4 13352 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000186775_100000748023 [0,2,0,0,0,0|2,0,0]=4 13353 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000748023_100000186775 [0,2,0,0,0,0|2,0,0]=4 13354 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000748023_100000755918 [0,2,0,0,0,0|2,0,0]=4 13355 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000748023 [0,2,0,0,0,0|2,0,0]=4 13356 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000211213_100000748023 [0,2,0,0,0,0|2,0,0]=4 13357 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000748023_100000211213 [0,2,0,0,0,0|2,0,0]=4 13358 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000185761_100000748023 [0,2,0,0,0,0|2,0,0]=4 13359 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000748023_100000185761 [0,2,0,0,0,0|2,0,0]=4 13360 B13R1.14 CCC(C)CSc1ccc(cc1)O 62a_100000748023_100000185759 [0,2,0,0,0,0|2,0,0]=4 13361 B13R1.14 CCC(C)CSc1ccc(cn1)Br 62a_100000686858_100000748023 [0,2,0,0,0,0|1,0,0]=3 13362 B13R1.14 CCC(C)CSc1ccc(cn1)Br 62a_100000748023_100000686858 [0,2,0,0,0,0|1,0,0]=3 13363 B13R1.14 CCC(C)CSc1ccc(cn1)C 62a_100000748023_100000754016 [0,2,0,0,0,0|1,0,0]=3 13364 B13R1.14 CCC(C)CSc1ccc(cn1)C 62a_100011192072_100000748023 [0,2,0,0,0,0|1,0,0]=3 13365 B13R1.14 CCC(C)CSc1ccc(cn1)Cl 62a_100000748023_100011356976 [0,2,0,0,0,0|1,0,0]=3 13366 B13R1.14 CCC(C)CSc1ccc(cn1)Cl 62a_100011356976_100000748023 [0,2,0,0,0,0|1,0,0]=3 13367 B13R1.14 CCC(C)CSc1ccc(cn1)F 62a_100000744514_100000748023 [0,2,0,0,0,0|1,0,0]=3 13368 B13R1.14 CCC(C)CSc1ccc(cn1)F 62a_100000748023_100000744514 [0,2,0,0,0,0|1,0,0]=3 13369 B13R1.14 CCC(C)CSc1ccc(cn1)N 62a_100000737798_100000748023 [0,2,0,0,0,0|1,0,0]=3 13370 B13R1.14 CCC(C)CSc1ccc(cn1)N 62a_100000748023_100000737798 [0,2,0,0,0,0|1,0,0]=3 13371 B13R1.14 CCC(C)CSc1ccc(cn1)O 62a_100000685995_100000748023 [0,2,0,0,0,0|1,0,0]=3 13372 B13R1.14 CCC(C)CSc1ccc(cn1)O 62a_100000748023_100000744096 [0,2,0,0,0,0|1,0,0]=3 13373 B13R1.14 CCC(C)CSc1ccc(nn1)C 62a_100000744512_100000748023 [0,2,0,0,0,0|2,0,0]=4 13374 B13R1.14 CCC(C)CSc1ccc(nn1)C 62a_100000748023_100000744512 [0,2,0,0,0,0|2,0,0]=4 13375 B13R1.14 CCC(C)CSc1ccc(nn1)Cl 62a_100000068654_100000748023 [0,2,0,0,0,0|2,0,0]=4 13376 B13R1.14 CCC(C)CSc1ccc(nn1)Cl 62a_100000748023_100000068654 [0,2,0,0,0,0|2,0,0]=4 13377 B13R1.14 CCC(C)CSc1ccc(nn1)N 62a_100000748023_100010219413 [0,2,0,0,0,0|2,0,0]=4 13378 B13R1.14 CCC(C)CSc1ccc(nn1)N 62a_100010219413_100000748023 [0,2,0,0,0,0|2,0,0]=4 13379 B13R1.14 CCC(C)CSc1cnc(cn1)Br 62a_100000748023_100010187541 [0,2,0,0,0,0|2,0,0]=4 13380 B13R1.14 CCC(C)CSc1cnc(cn1)Br 62a_100010187541_100000748023 [0,2,0,0,0,0|2,0,0]=4 13381 B13R1.14 CCC(C)CSc1cnc(cn1)C 62a_100000748023_100011999403 [0,2,0,0,0,0|2,0,0]=4 13382 B13R1.14 CCC(C)CSc1cnc(cn1)C 62a_100011999403_100000748023 [0,2,0,0,0,0|2,0,0]=4 13383 B13R1.14 CCC(C)CSc1cnc(cn1)Cl 62a_100000748023_100010214907 [0,2,0,0,0,0|2,0,0]=4 13384 B13R1.14 CCC(C)CSc1cnc(cn1)Cl 62a_100010214907_100000748023 [0,2,0,0,0,0|2,0,0]=4 13385 B13R1.14 CCC(C)CSc1cnc(cn1)F 62a_100000748023_100009856528 [0,2,0,0,0,0|2,0,0]=4 13386 B13R1.14 CCC(C)CSc1cnc(cn1)F 62a_100009856528_100000748023 [0,2,0,0,0,0|2,0,0]=4 13387 B13R1.14 CCC(C)CSc1cnc(cn1)N 62a_100000744751_100000748023 [0,2,0,0,0,0|2,0,0]=4 13388 B13R1.14 CCC(C)CSc1cnc(cn1)N 62a_100000748023_100000744751 [0,2,0,0,0,0|2,0,0]=4 13389 B13R1.14 CCC(C)CSc1cnc(cn1)O 62a_100000748023_100015839800 [0,2,0,0,0,0|2,0,0]=4 13390 B13R1.14 CCC(C)CSc1cnc(cn1)O 62a_100011934580_100000748023 [0,2,0,0,0,0|2,0,0]=4 13391 B13R1.14 CCC(C)CSc1ncc(cn1)Br 62a_100000690281_100000748023 [0,2,0,0,0,0|2,0,0]=4 13392 B13R1.14 CCC(C)CSc1ncc(cn1)Br 62a_100000748023_100000690281 [0,2,0,0,0,0|2,0,0]=4 13393 B13R1.14 CCC(C)CSc1ncc(cn1)C 62a_100000061069_100000748023 [0,2,0,0,0,0|2,0,0]=4 13394 B13R1.14 CCC(C)CSc1ncc(cn1)C 62a_100000748023_100000061069 [0,2,0,0,0,0|2,0,0]=4 13395 B13R1.14 CCC(C)CSc1ncc(cn1)Cl 62a_100000748023_100011356929 [0,2,0,0,0,0|2,0,0]=4 13396 B13R1.14 CCC(C)CSc1ncc(cn1)Cl 62a_100011356929_100000748023 [0,2,0,0,0,0|2,0,0]=4 13397 B13R1.14 CCC(C)CSc1ncc(cn1)F 62a_100000685220_100000748023 [0,2,0,0,0,0|2,0,0]=4 13398 B13R1.14 CCC(C)CSc1ncc(cn1)F 62a_100000748023_100000685220 [0,2,0,0,0,0|2,0,0]=4 13399 B13R1.14 CCC(C)CSc1ncc(cn1)N 62a_100000068403_100000748023 [0,2,0,0,0,0|2,0,0]=4 13400 B13R1.14 CCC(C)CSc1ncc(cn1)N 62a_100000748023_100000068403 [0,2,0,0,0,0|2,0,0]=4 13401 B13R1.14 CCC(C)CSc1ncc(cn1)O 62a_100000730009_100000748023 [0,2,0,0,0,0|2,0,0]=4 13402 B13R1.14 CCC(C)CSc1ncc(cn1)O 62a_100000748023_100000092845 [0,2,0,0,0,0|2,0,0]=4 13403 B13R1.14 CCC(C)NCc1ccc(=O)[nH]n1 207a_100000209981_100011361533 [0,2,0,0,0,0|2,0,0]=4 13404 B13R1.14 CCC(C)NCc1ccc(=O)[nH]n1 270004a_100000209981_100011361533 [0,2,0,0,0,0|2,0,0]=4 13405 B13R1.14 CCC(C)NCc1ccc(cc1)Br 207a_100000209981_100000186029 [0,2,0,0,0,0|2,0,0]=4 13406 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000758301 [0,2,0,0,0,0|2,0,0]=4 13407 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000209981_100011217064 [0,2,0,0,0,0|2,0,0]=4 13408 B13R1.14 CCC(C)NCc1ccc(cc1)Br 270004a_100000209981_100000186029 [0,2,0,0,0,0|2,0,0]=4 13409 B13R1.14 CCC(C)NCc1ccc(cc1)Br 34a_100000174875_100011215416 [0,2,0,0,0,0|2,0,0]=4 13410 B13R1.14 CCC(C)NCc1ccc(cc1)C 207a_100000209981_100000211033 [0,2,0,0,0,0|2,0,0]=4 13411 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000758301 [0,2,0,0,0,0|2,0,0]=4 13412 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000209981_100000210814 [0,2,0,0,0,0|2,0,0]=4 13413 B13R1.14 CCC(C)NCc1ccc(cc1)C 270004a_100000209981_100000211033 [0,2,0,0,0,0|2,0,0]=4 13414 B13R1.14 CCC(C)NCc1ccc(cc1)C 34a_100000174908_100011215416 [0,2,0,0,0,0|2,0,0]=4 13415 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,2,0,0,0,0|2,0,0]=4 13416 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,2,0,0,0,0|2,0,0]=4 13417 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,2,0,0,0,0|2,0,0]=4 13418 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,2,0,0,0,0|2,0,0]=4 13419 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,2,0,0,0,0|2,0,0]=4 13420 B13R1.14 CCC(C)NCc1ccc(cc1)F 207a_100000209981_100000210084 [0,2,0,0,0,0|2,0,0]=4 13421 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000174882_100000758301 [0,2,0,0,0,0|2,0,0]=4 13422 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000209981_100000198546 [0,2,0,0,0,0|2,0,0]=4 13423 B13R1.14 CCC(C)NCc1ccc(cc1)F 270004a_100000209981_100000210084 [0,2,0,0,0,0|2,0,0]=4 13424 B13R1.14 CCC(C)NCc1ccc(cc1)F 34a_100000174882_100011215416 [0,2,0,0,0,0|2,0,0]=4 13425 B13R1.14 CCC(C)NCc1ccc(cc1)I 207a_100000209981_100000188517 [0,2,0,0,0,0|2,0,0]=4 13426 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100000209981_100000189116 [0,2,0,0,0,0|2,0,0]=4 13427 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100016989417_100000758301 [0,2,0,0,0,0|2,0,0]=4 13428 B13R1.14 CCC(C)NCc1ccc(cc1)I 34a_100016989417_100011215416 [0,2,0,0,0,0|2,0,0]=4 13429 B13R1.14 CCC(C)NCc1ccc(cc1)O 271570a_203496583355_100015186513 [0,2,0,0,0,0|2,0,0]=4 13430 B13R1.14 CCC(C)NCc1ccc(cc1)O 34a_100000185549_100011215416 [0,2,0,0,0,0|2,0,0]=4 13431 B13R1.14 CCC(C)NCc1ccc(cn1)Br 207a_100000209981_100000754260 [0,2,0,0,0,0|1,0,0]=3 13432 B13R1.14 CCC(C)NCc1ccc(cn1)Br 2230a_100000209981_100000702658 [0,2,0,0,0,0|1,0,0]=3 13433 B13R1.14 CCC(C)NCc1ccc(cn1)Br 270004a_100000209981_100000754260 [0,2,0,0,0,0|1,0,0]=3 13434 B13R1.14 CCC(C)NCc1ccc(cn1)Br 34a_100015188789_100011215416 [0,2,0,0,0,0|1,0,0]=3 13435 B13R1.14 CCC(C)NCc1ccc(cn1)C 207a_100000209981_100000050478 [0,2,0,0,0,0|1,0,0]=3 13436 B13R1.14 CCC(C)NCc1ccc(cn1)C 2230a_100000209981_100000691093 [0,2,0,0,0,0|1,0,0]=3 13437 B13R1.14 CCC(C)NCc1ccc(cn1)C 270004a_100000209981_100000050478 [0,2,0,0,0,0|1,0,0]=3 13438 B13R1.14 CCC(C)NCc1ccc(cn1)C 34a_100015187455_100011215416 [0,2,0,0,0,0|1,0,0]=3 13439 B13R1.14 CCC(C)NCc1ccc(cn1)Cl 207a_100000209981_100011361569 [0,2,0,0,0,0|1,0,0]=3 13440 B13R1.14 CCC(C)NCc1ccc(cn1)Cl 2230a_100000209981_100012066911 [0,2,0,0,0,0|1,0,0]=3 13441 B13R1.14 CCC(C)NCc1ccc(cn1)Cl 270004a_100000209981_100011361569 [0,2,0,0,0,0|1,0,0]=3 13442 B13R1.14 CCC(C)NCc1ccc(cn1)Cl 34a_100000697193_100011215416 [0,2,0,0,0,0|1,0,0]=3 13443 B13R1.14 CCC(C)NCc1ccc(cn1)F 207a_100000209981_100011934744 [0,2,0,0,0,0|1,0,0]=3 13444 B13R1.14 CCC(C)NCc1ccc(cn1)F 2230a_100000209981_100000703193 [0,2,0,0,0,0|1,0,0]=3 13445 B13R1.14 CCC(C)NCc1ccc(cn1)F 270004a_100000209981_100011934744 [0,2,0,0,0,0|1,0,0]=3 13446 B13R1.14 CCC(C)NCc1ccc(cn1)F 34a_100020620131_100011215416 [0,2,0,0,0,0|1,0,0]=3 13447 B13R1.14 CCC(C)NCc1ccc(nn1)Cl 2230a_100000209981_100016992710 [0,2,0,0,0,0|2,0,0]=4 13448 B13R1.14 CCC(C)NCc1ccc(nn1)Cl 270004a_100000209981_100000044651 [0,2,0,0,0,0|2,0,0]=4 13449 B13R1.14 CCC(C)NCc1cnc(cn1)C 2230a_100000209981_100000752025 [0,2,0,0,0,0|2,0,0]=4 13450 B13R1.14 CCC(C)NCc1cnc(cn1)C 270004a_100000209981_100000685221 [0,2,0,0,0,0|2,0,0]=4 13451 B13R1.14 CCC(C)NCc1cnc(cn1)C 34a_100132314150_100011215416 [0,2,0,0,0,0|2,0,0]=4 13452 B13R1.14 CCC(C)NCc1cnc(cn1)Cl 270004a_100000209981_100012001714 [0,2,0,0,0,0|2,0,0]=4 13453 B13R1.14 CCC(C)NCc1ncc(cn1)C 2230a_100000209981_100000685645 [0,2,0,0,0,0|2,0,0]=4 13454 B13R1.14 CCC(C)OCc1ccc(cc1)Br 34a_100000695286_100011215416 [0,2,0,0,0,0|2,0,0]=4 13455 B13R1.14 CCC(C)OCc1ccc(cc1)Br 7a_100000210228_100011217064 [0,2,0,0,0,0|2,0,0]=4 13456 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,2,0,0,0,0|2,0,0]=4 13457 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,2,0,0,0,0|2,0,0]=4 13458 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,2,0,0,0,0|2,0,0]=4 13459 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,2,0,0,0,0|2,0,0]=4 13460 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,2,0,0,0,0|2,0,0]=4 13461 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,2,0,0,0,0|2,0,0]=4 13462 B13R1.14 CCC(C)OCc1ccc(cc1)F 34a_100000210977_100011215416 [0,2,0,0,0,0|2,0,0]=4 13463 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210228_100000198546 [0,2,0,0,0,0|2,0,0]=4 13464 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210977_100000758301 [0,2,0,0,0,0|2,0,0]=4 13465 B13R1.14 CCC(C)OCc1ccc(cc1)I 34a_100000690907_100011215416 [0,2,0,0,0,0|2,0,0]=4 13466 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000210228_100000189116 [0,2,0,0,0,0|2,0,0]=4 13467 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000690907_100000758301 [0,2,0,0,0,0|2,0,0]=4 13468 B13R1.14 CCC(C)OCc1ccc(cc1)N 34a_100011215238_100011215416 [0,2,0,0,0,0|2,0,0]=4 13469 B13R1.14 CCC(C)OCc1ccc(cn1)Br 34a_100000754261_100011215416 [0,2,0,0,0,0|1,0,0]=3 13470 B13R1.14 CCC(C)OCc1ccc(cn1)Br 7a_100000210228_100000702658 [0,2,0,0,0,0|1,0,0]=3 13471 B13R1.14 CCC(C)OCc1ccc(cn1)C 34a_100012001401_100011215416 [0,2,0,0,0,0|1,0,0]=3 13472 B13R1.14 CCC(C)OCc1ccc(cn1)C 7a_100000210228_100000691093 [0,2,0,0,0,0|1,0,0]=3 13473 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 34a_100000703999_100011215416 [0,2,0,0,0,0|1,0,0]=3 13474 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 7a_100000210228_100012066911 [0,2,0,0,0,0|1,0,0]=3 13475 B13R1.14 CCC(C)OCc1ccc(cn1)F 34a_100011999454_100011215416 [0,2,0,0,0,0|1,0,0]=3 13476 B13R1.14 CCC(C)OCc1ccc(cn1)F 7a_100000210228_100000703193 [0,2,0,0,0,0|1,0,0]=3 13477 B13R1.14 CCC(C)OCc1ccc(cn1)N 34a_100011998161_100011215416 [0,2,0,0,0,0|1,0,0]=3 13478 B13R1.14 CCC(C)OCc1ccc(nn1)Cl 7a_100000210228_100016992710 [0,2,0,0,0,0|2,0,0]=4 13479 B13R1.14 CCC(C)OCc1cnc(cn1)C 34a_100011273949_100011215416 [0,2,0,0,0,0|2,0,0]=4 13480 B13R1.14 CCC(C)OCc1cnc(cn1)C 7a_100000210228_100000752025 [0,2,0,0,0,0|2,0,0]=4 13481 B13R1.14 CCC(C)OCc1cnc(cn1)Cl 34a_100012002382_100011215416 [0,2,0,0,0,0|2,0,0]=4 13482 B13R1.14 CCC(C)OCc1ncc(cn1)Br 7a_100000210228_100010064664 [0,2,0,0,0,0|2,0,0]=4 13483 B13R1.14 CCC(C)OCc1ncc(cn1)C 7a_100000210228_100000685645 [0,2,0,0,0,0|2,0,0]=4 13484 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000189115_100000758301 [0,2,0,0,0,0|2,0,0]=4 13485 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000758301_100000189115 [0,2,0,0,0,0|2,0,0]=4 13486 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000210814_100000758301 [0,2,0,0,0,0|2,0,0]=4 13487 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000758301_100000210814 [0,2,0,0,0,0|2,0,0]=4 13488 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,2,0,0,0,0|2,0,0]=4 13489 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,2,0,0,0,0|2,0,0]=4 13490 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000198546_100000758301 [0,2,0,0,0,0|2,0,0]=4 13491 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000758301_100000187164 [0,2,0,0,0,0|2,0,0]=4 13492 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000189116_100000758301 [0,2,0,0,0,0|2,0,0]=4 13493 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000758301_100000189116 [0,2,0,0,0,0|2,0,0]=4 13494 B13R1.14 CCC(C)SCc1ccc(cn1)Br 62a_100000702658_100000758301 [0,2,0,0,0,0|1,0,0]=3 13495 B13R1.14 CCC(C)SCc1ccc(cn1)Br 62a_100000758301_100000702658 [0,2,0,0,0,0|1,0,0]=3 13496 B13R1.14 CCC(C)SCc1ccc(cn1)C 62a_100000691093_100000758301 [0,2,0,0,0,0|1,0,0]=3 13497 B13R1.14 CCC(C)SCc1ccc(cn1)C 62a_100000758301_100000691093 [0,2,0,0,0,0|1,0,0]=3 13498 B13R1.14 CCC(C)SCc1ccc(cn1)Cl 62a_100000758301_100000697101 [0,2,0,0,0,0|1,0,0]=3 13499 B13R1.14 CCC(C)SCc1ccc(cn1)Cl 62a_100012066911_100000758301 [0,2,0,0,0,0|1,0,0]=3 13500 B13R1.14 CCC(C)SCc1ccc(cn1)F 62a_100000703193_100000758301 [0,2,0,0,0,0|1,0,0]=3 13501 B13R1.14 CCC(C)SCc1ccc(cn1)F 62a_100000758301_100000703193 [0,2,0,0,0,0|1,0,0]=3 13502 B13R1.14 CCC(C)SCc1ccc(nn1)Cl 62a_100000758301_100016992710 [0,2,0,0,0,0|2,0,0]=4 13503 B13R1.14 CCC(C)SCc1ccc(nn1)Cl 62a_100016992710_100000758301 [0,2,0,0,0,0|2,0,0]=4 13504 B13R1.14 CCC(C)SCc1cnc(cn1)C 62a_100000752025_100000758301 [0,2,0,0,0,0|2,0,0]=4 13505 B13R1.14 CCC(C)SCc1cnc(cn1)C 62a_100000758301_100000752025 [0,2,0,0,0,0|2,0,0]=4 13506 B13R1.14 CCC(C)SCc1ncc(cn1)Br 62a_100000758301_100010064664 [0,2,0,0,0,0|2,0,0]=4 13507 B13R1.14 CCC(C)SCc1ncc(cn1)Br 62a_100010064664_100000758301 [0,2,0,0,0,0|2,0,0]=4 13508 B13R1.14 CCC(C)SCc1ncc(cn1)C 62a_100000685645_100000758301 [0,2,0,0,0,0|2,0,0]=4 13509 B13R1.14 CCC(C)SCc1ncc(cn1)C 62a_100000758301_100000685645 [0,2,0,0,0,0|2,0,0]=4 13510 B13R1.14 CCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218378 [0,2,0,0,0,0|2,0,0]=4 13511 B13R1.14 CCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218378 [0,2,0,0,0,0|2,0,0]=4 13512 B13R1.14 CCC(O)CNc1ccc(cc1)C 34a_100000124888_100011218378 [0,2,0,0,0,0|2,0,0]=4 13513 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218378 [0,2,0,0,0,0|2,0,0]=4 13514 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218378 [0,2,0,0,0,0|2,0,0]=4 13515 B13R1.14 CCC(O)CNc1ccc(cc1)F 34a_100000185862_100011218378 [0,2,0,0,0,0|2,0,0]=4 13516 B13R1.14 CCC(O)CNc1ccc(cc1)I 34a_100000185761_100011218378 [0,2,0,0,0,0|2,0,0]=4 13517 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,2,0,0,0,0|2,0,0]=4 13518 B13R1.14 CCC(O)CNc1ccc(cn1)Br 27a_100011218483_100000686858 [0,2,0,0,0,0|1,0,0]=3 13519 B13R1.14 CCC(O)CNc1ccc(nn1)C 27a_100011218483_100000744512 [0,2,0,0,0,0|2,0,0]=4 13520 B13R1.14 CCC(O)CNc1cnc(cn1)Br 27a_100011218483_100010187541 [0,2,0,0,0,0|2,0,0]=4 13521 B13R1.14 CCC(O)CNc1cnc(cn1)C 27a_100011218483_100000074397 [0,2,0,0,0,0|2,0,0]=4 13522 B13R1.14 CCC(O)CNc1cnc(cn1)F 27a_100011218483_100009856528 [0,2,0,0,0,0|2,0,0]=4 13523 B13R1.14 CCC(O)CNc1ncc(cn1)Br 27a_100011218483_100000690281 [0,2,0,0,0,0|2,0,0]=4 13524 B13R1.14 CCC(O)CNc1ncc(cn1)C 27a_100011218483_100000061069 [0,2,0,0,0,0|2,0,0]=4 13525 B13R1.14 CCC(O)CNc1ncc(cn1)Cl 27a_100011218483_100011356929 [0,2,0,0,0,0|2,0,0]=4 13526 B13R1.14 CCC(O)CNc1ncc(cn1)F 27a_100011218483_100000685220 [0,2,0,0,0,0|2,0,0]=4 13527 B13R1.14 CCC(O)COc1ccc(cc1)Br 34a_100000185759_100011218378 [0,2,0,0,0,0|2,0,0]=4 13528 B13R1.14 CCC(O)COc1ccc(cc1)Br 7a_100000185759_100011218378 [0,2,0,0,0,0|2,0,0]=4 13529 B13R1.14 CCC(O)COc1ccc(cc1)C 34a_100000210336_100011218378 [0,2,0,0,0,0|2,0,0]=4 13530 B13R1.14 CCC(O)COc1ccc(cc1)C 7a_100000210336_100011218378 [0,2,0,0,0,0|2,0,0]=4 13531 B13R1.14 CCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218378 [0,2,0,0,0,0|2,0,0]=4 13532 B13R1.14 CCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218378 [0,2,0,0,0,0|2,0,0]=4 13533 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [0,2,0,0,0,0|2,0,0]=4 13534 B13R1.14 CCC(O)COc1ccc(cc1)I 34a_100000212066_100011218378 [0,2,0,0,0,0|2,0,0]=4 13535 B13R1.14 CCC(O)COc1ccc(cc1)I 7a_100000212066_100011218378 [0,2,0,0,0,0|2,0,0]=4 13536 B13R1.14 CCC(O)COc1ccc(cc1)N 34a_100000185829_100011218378 [0,2,0,0,0,0|2,0,0]=4 13537 B13R1.14 CCC(O)COc1ccc(cn1)C 34a_100000759353_100011218378 [0,2,0,0,0,0|1,0,0]=3 13538 B13R1.14 CCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218378 [0,2,0,0,0,0|1,0,0]=3 13539 B13R1.14 CCC(O)COc1ccc(cn1)F 34a_100000742473_100011218378 [0,2,0,0,0,0|1,0,0]=3 13540 B13R1.14 CCC(O)COc1ccc(cn1)N 34a_100000729260_100011218378 [0,2,0,0,0,0|1,0,0]=3 13541 B13R1.14 CCC(O)COc1cnc(cn1)Br 34a_100011934580_100011218378 [0,2,0,0,0,0|2,0,0]=4 13542 B13R1.14 CCC(O)COc1cnc(cn1)Cl 34a_100015839800_100011218378 [0,2,0,0,0,0|2,0,0]=4 13543 B13R1.14 CCC(O)COc1ncc(cn1)F 34a_100011934040_100011218378 [0,2,0,0,0,0|2,0,0]=4 13544 B13R1.14 CCC(O)CSc1ccc(=O)[nH]n1 62a_100009820020_100011218378 [0,2,0,0,0,0|2,0,0]=4 13545 B13R1.14 CCC(O)CSc1ccc(=O)[nH]n1 62a_100011218378_100009820020 [0,2,0,0,0,0|2,0,0]=4 13546 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218378 [0,2,0,0,0,0|2,0,0]=4 13547 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100011218378_100000752885 [0,2,0,0,0,0|2,0,0]=4 13548 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100000186775_100011218378 [0,2,0,0,0,0|2,0,0]=4 13549 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100011218378_100000186775 [0,2,0,0,0,0|2,0,0]=4 13550 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218378 [0,2,0,0,0,0|2,0,0]=4 13551 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100011218378_100000755918 [0,2,0,0,0,0|2,0,0]=4 13552 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100000211213_100011218378 [0,2,0,0,0,0|2,0,0]=4 13553 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100011218378_100000211213 [0,2,0,0,0,0|2,0,0]=4 13554 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100000185761_100011218378 [0,2,0,0,0,0|2,0,0]=4 13555 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100011218378_100000185761 [0,2,0,0,0,0|2,0,0]=4 13556 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,2,0,0,0,0|2,0,0]=4 13557 B13R1.14 CCC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218378 [0,2,0,0,0,0|1,0,0]=3 13558 B13R1.14 CCC(O)CSc1ccc(cn1)Br 62a_100011218378_100000686858 [0,2,0,0,0,0|1,0,0]=3 13559 B13R1.14 CCC(O)CSc1ccc(cn1)C 62a_100011192072_100011218378 [0,2,0,0,0,0|1,0,0]=3 13560 B13R1.14 CCC(O)CSc1ccc(cn1)C 62a_100011218378_100000754016 [0,2,0,0,0,0|1,0,0]=3 13561 B13R1.14 CCC(O)CSc1ccc(cn1)Cl 62a_100011218378_100011356976 [0,2,0,0,0,0|1,0,0]=3 13562 B13R1.14 CCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218378 [0,2,0,0,0,0|1,0,0]=3 13563 B13R1.14 CCC(O)CSc1ccc(cn1)F 62a_100000744514_100011218378 [0,2,0,0,0,0|1,0,0]=3 13564 B13R1.14 CCC(O)CSc1ccc(cn1)F 62a_100011218378_100000744514 [0,2,0,0,0,0|1,0,0]=3 13565 B13R1.14 CCC(O)CSc1ccc(cn1)N 62a_100000737798_100011218378 [0,2,0,0,0,0|1,0,0]=3 13566 B13R1.14 CCC(O)CSc1ccc(cn1)N 62a_100011218378_100000737798 [0,2,0,0,0,0|1,0,0]=3 13567 B13R1.14 CCC(O)CSc1ccc(cn1)O 62a_100000685995_100011218378 [0,2,0,0,0,0|1,0,0]=3 13568 B13R1.14 CCC(O)CSc1ccc(cn1)O 62a_100011218378_100000744096 [0,2,0,0,0,0|1,0,0]=3 13569 B13R1.14 CCC(O)CSc1ccc(nn1)C 62a_100000744512_100011218378 [0,2,0,0,0,0|2,0,0]=4 13570 B13R1.14 CCC(O)CSc1ccc(nn1)C 62a_100011218378_100000744512 [0,2,0,0,0,0|2,0,0]=4 13571 B13R1.14 CCC(O)CSc1ccc(nn1)Cl 62a_100000068654_100011218378 [0,2,0,0,0,0|2,0,0]=4 13572 B13R1.14 CCC(O)CSc1ccc(nn1)Cl 62a_100011218378_100000068654 [0,2,0,0,0,0|2,0,0]=4 13573 B13R1.14 CCC(O)CSc1ccc(nn1)N 62a_100010219413_100011218378 [0,2,0,0,0,0|2,0,0]=4 13574 B13R1.14 CCC(O)CSc1ccc(nn1)N 62a_100011218378_100010219413 [0,2,0,0,0,0|2,0,0]=4 13575 B13R1.14 CCC(O)CSc1cnc(cn1)Br 62a_100010187541_100011218378 [0,2,0,0,0,0|2,0,0]=4 13576 B13R1.14 CCC(O)CSc1cnc(cn1)Br 62a_100011218378_100010187541 [0,2,0,0,0,0|2,0,0]=4 13577 B13R1.14 CCC(O)CSc1cnc(cn1)C 62a_100011218378_100011999403 [0,2,0,0,0,0|2,0,0]=4 13578 B13R1.14 CCC(O)CSc1cnc(cn1)C 62a_100011999403_100011218378 [0,2,0,0,0,0|2,0,0]=4 13579 B13R1.14 CCC(O)CSc1cnc(cn1)Cl 62a_100010214907_100011218378 [0,2,0,0,0,0|2,0,0]=4 13580 B13R1.14 CCC(O)CSc1cnc(cn1)Cl 62a_100011218378_100010214907 [0,2,0,0,0,0|2,0,0]=4 13581 B13R1.14 CCC(O)CSc1cnc(cn1)F 62a_100009856528_100011218378 [0,2,0,0,0,0|2,0,0]=4 13582 B13R1.14 CCC(O)CSc1cnc(cn1)F 62a_100011218378_100009856528 [0,2,0,0,0,0|2,0,0]=4 13583 B13R1.14 CCC(O)CSc1cnc(cn1)N 62a_100000744751_100011218378 [0,2,0,0,0,0|2,0,0]=4 13584 B13R1.14 CCC(O)CSc1cnc(cn1)N 62a_100011218378_100000744751 [0,2,0,0,0,0|2,0,0]=4 13585 B13R1.14 CCC(O)CSc1cnc(cn1)O 62a_100011218378_100015839800 [0,2,0,0,0,0|2,0,0]=4 13586 B13R1.14 CCC(O)CSc1cnc(cn1)O 62a_100011934580_100011218378 [0,2,0,0,0,0|2,0,0]=4 13587 B13R1.14 CCC(O)CSc1ncc(cn1)Br 62a_100000690281_100011218378 [0,2,0,0,0,0|2,0,0]=4 13588 B13R1.14 CCC(O)CSc1ncc(cn1)Br 62a_100011218378_100000690281 [0,2,0,0,0,0|2,0,0]=4 13589 B13R1.14 CCC(O)CSc1ncc(cn1)C 62a_100000061069_100011218378 [0,2,0,0,0,0|2,0,0]=4 13590 B13R1.14 CCC(O)CSc1ncc(cn1)C 62a_100011218378_100000061069 [0,2,0,0,0,0|2,0,0]=4 13591 B13R1.14 CCC(O)CSc1ncc(cn1)Cl 62a_100011218378_100011356929 [0,2,0,0,0,0|2,0,0]=4 13592 B13R1.14 CCC(O)CSc1ncc(cn1)Cl 62a_100011356929_100011218378 [0,2,0,0,0,0|2,0,0]=4 13593 B13R1.14 CCC(O)CSc1ncc(cn1)F 62a_100000685220_100011218378 [0,2,0,0,0,0|2,0,0]=4 13594 B13R1.14 CCC(O)CSc1ncc(cn1)F 62a_100011218378_100000685220 [0,2,0,0,0,0|2,0,0]=4 13595 B13R1.14 CCC(O)CSc1ncc(cn1)N 62a_100000068403_100011218378 [0,2,0,0,0,0|2,0,0]=4 13596 B13R1.14 CCC(O)CSc1ncc(cn1)N 62a_100011218378_100000068403 [0,2,0,0,0,0|2,0,0]=4 13597 B13R1.14 CCC(O)CSc1ncc(cn1)O 62a_100000730009_100011218378 [0,2,0,0,0,0|2,0,0]=4 13598 B13R1.14 CCC(O)CSc1ncc(cn1)O 62a_100011218378_100000092845 [0,2,0,0,0,0|2,0,0]=4 13599 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000225621_100011740612 [0,2,0,0,0,0|2,0,0]=4 13600 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210202 [0,2,0,0,0,0|2,0,0]=4 13601 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000225621_100011740612 [0,2,0,0,0,0|2,0,0]=4 13602 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000204670 [0,2,0,0,0,0|2,0,0]=4 13603 B13R1.14 CCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210202 [0,2,0,0,0,0|2,0,0]=4 13604 B13R1.14 CCN(C)CCc1ccc(cc1)C 2230a_100000225621_100011713686 [0,2,0,0,0,0|2,0,0]=4 13605 B13R1.14 CCN(C)CCc1ccc(cc1)C 269982a_100000225621_100011713686 [0,2,0,0,0,0|2,0,0]=4 13606 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000225621_100011713675 [0,2,0,0,0,0|2,0,0]=4 13607 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210202 [0,2,0,0,0,0|2,0,0]=4 13608 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000225621_100011713675 [0,2,0,0,0,0|2,0,0]=4 13609 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000204670 [0,2,0,0,0,0|2,0,0]=4 13610 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210202 [0,2,0,0,0,0|2,0,0]=4 13611 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100000225621_100011217392 [0,2,0,0,0,0|2,0,0]=4 13612 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210202 [0,2,0,0,0,0|2,0,0]=4 13613 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100000225621_100011217392 [0,2,0,0,0,0|2,0,0]=4 13614 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000204670 [0,2,0,0,0,0|2,0,0]=4 13615 B13R1.14 CCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210202 [0,2,0,0,0,0|2,0,0]=4 13616 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100000225621_100009816426 [0,2,0,0,0,0|2,0,0]=4 13617 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210202 [0,2,0,0,0,0|2,0,0]=4 13618 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100000225621_100009816426 [0,2,0,0,0,0|2,0,0]=4 13619 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000204670 [0,2,0,0,0,0|2,0,0]=4 13620 B13R1.14 CCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210202 [0,2,0,0,0,0|2,0,0]=4 13621 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 2230a_100000210018_100009816398 [0,2,0,0,0,0|2,0,0]=4 13622 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 34a_100000210018_100009816398 [0,2,0,0,0,0|2,0,0]=4 13623 B13R1.14 CC[C@H](C)CNc1ccc(cc1)C 34a_100000124888_100009816398 [0,2,0,0,0,0|2,0,0]=4 13624 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 2230a_100000210052_100009816398 [0,2,0,0,0,0|2,0,0]=4 13625 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 34a_100000210052_100009816398 [0,2,0,0,0,0|2,0,0]=4 13626 B13R1.14 CC[C@H](C)CNc1ccc(cc1)F 34a_100000185862_100009816398 [0,2,0,0,0,0|2,0,0]=4 13627 B13R1.14 CC[C@H](C)CNc1ccc(cc1)I 34a_100000185761_100009816398 [0,2,0,0,0,0|2,0,0]=4 13628 B13R1.14 CC[C@H](C)CNc1ccc(cc1)O 34a_100000185829_100009816398 [0,2,0,0,0,0|2,0,0]=4 13629 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 34a_100000185759_100009816398 [0,2,0,0,0,0|2,0,0]=4 13630 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 7a_100000185759_100009816398 [0,2,0,0,0,0|2,0,0]=4 13631 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,2,0,0,0,0|2,0,0]=4 13632 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,2,0,0,0,0|2,0,0]=4 13633 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 34a_100000210216_100009816398 [0,2,0,0,0,0|2,0,0]=4 13634 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 7a_100000210216_100009816398 [0,2,0,0,0,0|2,0,0]=4 13635 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [0,2,0,0,0,0|2,0,0]=4 13636 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 34a_100000212066_100009816398 [0,2,0,0,0,0|2,0,0]=4 13637 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 7a_100000212066_100009816398 [0,2,0,0,0,0|2,0,0]=4 13638 B13R1.14 CC[C@H](C)COc1ccc(cc1)N 34a_100000185829_100009816398 [0,2,0,0,0,0|2,0,0]=4 13639 B13R1.14 CC[C@H](C)COc1ccc(cn1)C 34a_100000759353_100009816398 [0,2,0,0,0,0|1,0,0]=3 13640 B13R1.14 CC[C@H](C)COc1ccc(cn1)Cl 34a_100011215309_100009816398 [0,2,0,0,0,0|1,0,0]=3 13641 B13R1.14 CC[C@H](C)COc1ccc(cn1)F 34a_100000742473_100009816398 [0,2,0,0,0,0|1,0,0]=3 13642 B13R1.14 CC[C@H](C)COc1ccc(cn1)N 34a_100000729260_100009816398 [0,2,0,0,0,0|1,0,0]=3 13643 B13R1.14 CC[C@H](C)COc1cnc(cn1)Br 34a_100011934580_100009816398 [0,2,0,0,0,0|2,0,0]=4 13644 B13R1.14 CC[C@H](C)COc1cnc(cn1)Cl 34a_100015839800_100009816398 [0,2,0,0,0,0|2,0,0]=4 13645 B13R1.14 CC[C@H](C)COc1ncc(cn1)F 34a_100011934040_100009816398 [0,2,0,0,0,0|2,0,0]=4 13646 B13R1.14 CC[C@H](C)CSc1ccc(=O)[nH]n1 62a_100009816398_100009820020 [0,2,0,0,0,0|2,0,0]=4 13647 B13R1.14 CC[C@H](C)CSc1ccc(=O)[nH]n1 62a_100009820020_100009816398 [0,2,0,0,0,0|2,0,0]=4 13648 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100000752885_100009816398 [0,2,0,0,0,0|2,0,0]=4 13649 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100009816398_100000752885 [0,2,0,0,0,0|2,0,0]=4 13650 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100000186775_100009816398 [0,2,0,0,0,0|2,0,0]=4 13651 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100009816398_100000186775 [0,2,0,0,0,0|2,0,0]=4 13652 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100000755918_100009816398 [0,2,0,0,0,0|2,0,0]=4 13653 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100009816398_100000755918 [0,2,0,0,0,0|2,0,0]=4 13654 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100000211213_100009816398 [0,2,0,0,0,0|2,0,0]=4 13655 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100009816398_100000211213 [0,2,0,0,0,0|2,0,0]=4 13656 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100000185761_100009816398 [0,2,0,0,0,0|2,0,0]=4 13657 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100009816398_100000185761 [0,2,0,0,0,0|2,0,0]=4 13658 B13R1.14 CC[C@H](C)CSc1ccc(cc1)O 62a_100009816398_100000185759 [0,2,0,0,0,0|2,0,0]=4 13659 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Br 62a_100000686858_100009816398 [0,2,0,0,0,0|1,0,0]=3 13660 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Br 62a_100009816398_100000686858 [0,2,0,0,0,0|1,0,0]=3 13661 B13R1.14 CC[C@H](C)CSc1ccc(cn1)C 62a_100009816398_100000754016 [0,2,0,0,0,0|1,0,0]=3 13662 B13R1.14 CC[C@H](C)CSc1ccc(cn1)C 62a_100011192072_100009816398 [0,2,0,0,0,0|1,0,0]=3 13663 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Cl 62a_100009816398_100011356976 [0,2,0,0,0,0|1,0,0]=3 13664 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Cl 62a_100011356976_100009816398 [0,2,0,0,0,0|1,0,0]=3 13665 B13R1.14 CC[C@H](C)CSc1ccc(cn1)F 62a_100000744514_100009816398 [0,2,0,0,0,0|1,0,0]=3 13666 B13R1.14 CC[C@H](C)CSc1ccc(cn1)F 62a_100009816398_100000744514 [0,2,0,0,0,0|1,0,0]=3 13667 B13R1.14 CC[C@H](C)CSc1ccc(cn1)N 62a_100000737798_100009816398 [0,2,0,0,0,0|1,0,0]=3 13668 B13R1.14 CC[C@H](C)CSc1ccc(cn1)N 62a_100009816398_100000737798 [0,2,0,0,0,0|1,0,0]=3 13669 B13R1.14 CC[C@H](C)CSc1ccc(cn1)O 62a_100000685995_100009816398 [0,2,0,0,0,0|1,0,0]=3 13670 B13R1.14 CC[C@H](C)CSc1ccc(cn1)O 62a_100009816398_100000744096 [0,2,0,0,0,0|1,0,0]=3 13671 B13R1.14 CC[C@H](C)CSc1ccc(nn1)C 62a_100000744512_100009816398 [0,2,0,0,0,0|2,0,0]=4 13672 B13R1.14 CC[C@H](C)CSc1ccc(nn1)C 62a_100009816398_100000744512 [0,2,0,0,0,0|2,0,0]=4 13673 B13R1.14 CC[C@H](C)CSc1ccc(nn1)Cl 62a_100000068654_100009816398 [0,2,0,0,0,0|2,0,0]=4 13674 B13R1.14 CC[C@H](C)CSc1ccc(nn1)Cl 62a_100009816398_100000068654 [0,2,0,0,0,0|2,0,0]=4 13675 B13R1.14 CC[C@H](C)CSc1ccc(nn1)N 62a_100009816398_100010219413 [0,2,0,0,0,0|2,0,0]=4 13676 B13R1.14 CC[C@H](C)CSc1ccc(nn1)N 62a_100010219413_100009816398 [0,2,0,0,0,0|2,0,0]=4 13677 B13R1.14 CC[C@H](C)CSc1cnc(cn1)Br 62a_100009816398_100010187541 [0,2,0,0,0,0|2,0,0]=4 13678 B13R1.14 CC[C@H](C)CSc1cnc(cn1)Br 62a_100010187541_100009816398 [0,2,0,0,0,0|2,0,0]=4 13679 B13R1.14 CC[C@H](C)CSc1cnc(cn1)C 62a_100009816398_100011999403 [0,2,0,0,0,0|2,0,0]=4 13680 B13R1.14 CC[C@H](C)CSc1cnc(cn1)C 62a_100011999403_100009816398 [0,2,0,0,0,0|2,0,0]=4 13681 B13R1.14 CC[C@H](C)CSc1cnc(cn1)Cl 62a_100009816398_100010214907 [0,2,0,0,0,0|2,0,0]=4 13682 B13R1.14 CC[C@H](C)CSc1cnc(cn1)Cl 62a_100010214907_100009816398 [0,2,0,0,0,0|2,0,0]=4 13683 B13R1.14 CC[C@H](C)CSc1cnc(cn1)F 62a_100009816398_100009856528 [0,2,0,0,0,0|2,0,0]=4 13684 B13R1.14 CC[C@H](C)CSc1cnc(cn1)F 62a_100009856528_100009816398 [0,2,0,0,0,0|2,0,0]=4 13685 B13R1.14 CC[C@H](C)CSc1cnc(cn1)N 62a_100000744751_100009816398 [0,2,0,0,0,0|2,0,0]=4 13686 B13R1.14 CC[C@H](C)CSc1cnc(cn1)N 62a_100009816398_100000744751 [0,2,0,0,0,0|2,0,0]=4 13687 B13R1.14 CC[C@H](C)CSc1cnc(cn1)O 62a_100009816398_100015839800 [0,2,0,0,0,0|2,0,0]=4 13688 B13R1.14 CC[C@H](C)CSc1cnc(cn1)O 62a_100011934580_100009816398 [0,2,0,0,0,0|2,0,0]=4 13689 B13R1.14 CC[C@H](C)CSc1ncc(cn1)Br 62a_100000690281_100009816398 [0,2,0,0,0,0|2,0,0]=4 13690 B13R1.14 CC[C@H](C)CSc1ncc(cn1)Br 62a_100009816398_100000690281 [0,2,0,0,0,0|2,0,0]=4 13691 B13R1.14 CC[C@H](C)CSc1ncc(cn1)C 62a_100000061069_100009816398 [0,2,0,0,0,0|2,0,0]=4 13692 B13R1.14 CC[C@H](C)CSc1ncc(cn1)C 62a_100009816398_100000061069 [0,2,0,0,0,0|2,0,0]=4 13693 B13R1.14 CC[C@H](C)CSc1ncc(cn1)Cl 62a_100009816398_100011356929 [0,2,0,0,0,0|2,0,0]=4 13694 B13R1.14 CC[C@H](C)CSc1ncc(cn1)Cl 62a_100011356929_100009816398 [0,2,0,0,0,0|2,0,0]=4 13695 B13R1.14 CC[C@H](C)CSc1ncc(cn1)F 62a_100000685220_100009816398 [0,2,0,0,0,0|2,0,0]=4 13696 B13R1.14 CC[C@H](C)CSc1ncc(cn1)F 62a_100009816398_100000685220 [0,2,0,0,0,0|2,0,0]=4 13697 B13R1.14 CC[C@H](C)CSc1ncc(cn1)N 62a_100000068403_100009816398 [0,2,0,0,0,0|2,0,0]=4 13698 B13R1.14 CC[C@H](C)CSc1ncc(cn1)N 62a_100009816398_100000068403 [0,2,0,0,0,0|2,0,0]=4 13699 B13R1.14 CC[C@H](C)CSc1ncc(cn1)O 62a_100000730009_100009816398 [0,2,0,0,0,0|2,0,0]=4 13700 B13R1.14 CC[C@H](C)CSc1ncc(cn1)O 62a_100009816398_100000092845 [0,2,0,0,0,0|2,0,0]=4 13701 B13R1.14 CNC(C)CCc1ccc(cc1)Cl 270004a_106832991635_100011279170 [0,2,0,0,0,0|2,0,0]=4 13702 B13R1.14 CNC(C)CCc1ccc(cc1)F 270004a_106832991635_100000743244 [0,2,0,0,0,0|2,0,0]=4 13703 B13R1.14 CNC(C)CCc1ccc(cc1)I 270004a_106832991635_100000723691 [0,2,0,0,0,0|2,0,0]=4 13704 B13R1.14 CNC(C)CCc1ccc(cc1)O 270004a_106832991635_100000198047 [0,2,0,0,0,0|2,0,0]=4 13705 B13R1.14 COC(C)SCc1ccc(cn1)Br 62a_100000702658_100009879195 [0,2,0,0,0,0|2,0,0]=4 13706 B13R1.14 COC(C)SCc1ccc(cn1)Br 62a_100009879195_100000702658 [0,2,0,0,0,0|2,0,0]=4 13707 B13R1.14 COC(C)SCc1ccc(cn1)C 62a_100000691093_100009879195 [0,2,0,0,0,0|2,0,0]=4 13708 B13R1.14 COC(C)SCc1ccc(cn1)C 62a_100009879195_100000691093 [0,2,0,0,0,0|2,0,0]=4 13709 B13R1.14 COC(C)SCc1ccc(cn1)Cl 62a_100009879195_100000697101 [0,2,0,0,0,0|2,0,0]=4 13710 B13R1.14 COC(C)SCc1ccc(cn1)Cl 62a_100012066911_100009879195 [0,2,0,0,0,0|2,0,0]=4 13711 B13R1.14 COC(C)SCc1ccc(cn1)F 62a_100000703193_100009879195 [0,2,0,0,0,0|2,0,0]=4 13712 B13R1.14 COC(C)SCc1ccc(cn1)F 62a_100009879195_100000703193 [0,2,0,0,0,0|2,0,0]=4 13713 B13R1.14 CO[C@H](C)CNc1ccc(cn1)Br 27a_100020591295_100000686858 [0,2,0,0,0,0|2,0,0]=4 13714 B13R1.14 C[C@@H](CO)COc1ccc(cn1)Cl 34a_100011215309_100000059175 [0,2,0,0,0,0|2,0,0]=4 13715 B13R1.14 C[C@@H](CO)COc1ccc(cn1)F 34a_100000742473_100000059175 [0,2,0,0,0,0|2,0,0]=4 13716 B13R1.14 C[C@@H](CO)COc1ccc(cn1)N 34a_100000729260_100000059175 [0,2,0,0,0,0|2,0,0]=4 13717 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Br 62a_100000059175_100000686858 [0,2,0,0,0,0|2,0,0]=4 13718 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Br 62a_100000686858_100000059175 [0,2,0,0,0,0|2,0,0]=4 13719 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100000059175_100011356976 [0,2,0,0,0,0|2,0,0]=4 13720 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100011356976_100000059175 [0,2,0,0,0,0|2,0,0]=4 13721 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)F 62a_100000059175_100000744514 [0,2,0,0,0,0|2,0,0]=4 13722 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)F 62a_100000744514_100000059175 [0,2,0,0,0,0|2,0,0]=4 13723 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)N 62a_100000059175_100000737798 [0,2,0,0,0,0|2,0,0]=4 13724 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)N 62a_100000737798_100000059175 [0,2,0,0,0,0|2,0,0]=4 13725 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)O 62a_100000059175_100000744096 [0,2,0,0,0,0|2,0,0]=4 13726 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)O 62a_100000685995_100000059175 [0,2,0,0,0,0|2,0,0]=4 13727 B13R1.14 C[C@H](CF)NCc1ccc(cn1)Br 207a_100102880703_100000754260 [0,2,0,0,0,0|2,0,0]=4 13728 B13R1.14 C[C@H](CF)NCc1ccc(cn1)Br 270004a_100102880703_100000754260 [0,2,0,0,0,0|2,0,0]=4 13729 B13R1.14 C[C@H](CF)NCc1ccc(cn1)Cl 207a_100102880703_100011361569 [0,2,0,0,0,0|2,0,0]=4 13730 B13R1.14 C[C@H](CF)NCc1ccc(cn1)Cl 270004a_100102880703_100011361569 [0,2,0,0,0,0|2,0,0]=4 13731 B13R1.14 C[C@H](CF)NCc1ccc(cn1)F 207a_100102880703_100011934744 [0,2,0,0,0,0|2,0,0]=4 13732 B13R1.14 C[C@H](CF)NCc1ccc(cn1)F 270004a_100102880703_100011934744 [0,2,0,0,0,0|2,0,0]=4 13733 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 207a_100000737577_100000754260 [0,2,0,0,0,0|2,0,0]=4 13734 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 2230a_100000737577_100000702658 [0,2,0,0,0,0|2,0,0]=4 13735 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 270004a_100000737577_100000754260 [0,2,0,0,0,0|2,0,0]=4 13736 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 207a_100000737577_100011361569 [0,2,0,0,0,0|2,0,0]=4 13737 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 2230a_100000737577_100012066911 [0,2,0,0,0,0|2,0,0]=4 13738 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 270004a_100000737577_100011361569 [0,2,0,0,0,0|2,0,0]=4 13739 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 207a_100000737577_100011934744 [0,2,0,0,0,0|2,0,0]=4 13740 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 2230a_100000737577_100000703193 [0,2,0,0,0,0|2,0,0]=4 13741 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 270004a_100000737577_100011934744 [0,2,0,0,0,0|2,0,0]=4 13742 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Br 62a_100000702658_100016084084 [0,2,0,0,0,0|2,0,0]=4 13743 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Br 62a_100016084084_100000702658 [0,2,0,0,0,0|2,0,0]=4 13744 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100012066911_100016084084 [0,2,0,0,0,0|2,0,0]=4 13745 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100016084084_100000697101 [0,2,0,0,0,0|2,0,0]=4 13746 B13R1.14 C[C@H](CO)SCc1ccc(cn1)F 62a_100000703193_100016084084 [0,2,0,0,0,0|2,0,0]=4 13747 B13R1.14 C[C@H](CO)SCc1ccc(cn1)F 62a_100016084084_100000703193 [0,2,0,0,0,0|2,0,0]=4 13748 B13R1.14 Cc1ccc(nc1)CNC(C)CO 34a_100015187455_100012180447 [0,2,0,0,0,0|2,0,0]=4 13749 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CF 207a_100102880703_100000050478 [0,2,0,0,0,0|2,0,0]=4 13750 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CF 270004a_100102880703_100000050478 [0,2,0,0,0,0|2,0,0]=4 13751 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 207a_100000737577_100000050478 [0,2,0,0,0,0|2,0,0]=4 13752 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 2230a_100000737577_100000691093 [0,2,0,0,0,0|2,0,0]=4 13753 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 270004a_100000737577_100000050478 [0,2,0,0,0,0|2,0,0]=4 13754 B13R1.14 Cc1ccc(nc1)COC(C)CF 34a_100016041109_100000691093 [0,2,0,0,0,0|2,0,0]=4 13755 B13R1.14 Cc1ccc(nc1)COC(C)CF 7a_100016041109_100000691093 [0,2,0,0,0,0|2,0,0]=4 13756 B13R1.14 Cc1ccc(nc1)COC(C)CN 34a_100000210904_100000691093 [0,2,0,0,0,0|2,0,0]=4 13757 B13R1.14 Cc1ccc(nc1)COC(C)CO 34a_100012001401_100012180447 [0,2,0,0,0,0|2,0,0]=4 13758 B13R1.14 Cc1ccc(nc1)CSC(C)CO 62a_100012180447_100000691093 [0,2,0,0,0,0|2,0,0]=4 13759 B13R1.14 Cc1ccc(nc1)CS[C@H](C)CO 62a_100000691093_100016084084 [0,2,0,0,0,0|2,0,0]=4 13760 B13R1.14 Cc1ccc(nc1)CS[C@H](C)CO 62a_100016084084_100000691093 [0,2,0,0,0,0|2,0,0]=4 13761 B13R1.14 Cc1ccc(nc1)OCC(O)CO 34a_100000759353_100011219619 [0,2,0,0,0,0|2,0,0]=4 13762 B13R1.14 Cc1ccc(nc1)OC[C@@H](C)CO 34a_100000759353_100000059175 [0,2,0,0,0,0|2,0,0]=4 13763 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CF 34a_100000759353_100015614560 [0,2,0,0,0,0|2,0,0]=4 13764 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CO 34a_100000759353_100009815848 [0,2,0,0,0,0|2,0,0]=4 13765 B13R1.14 Cc1ccc(nc1)SCC(O)CO 62a_100011192072_100011219619 [0,2,0,0,0,0|2,0,0]=4 13766 B13R1.14 Cc1ccc(nc1)SCC(O)CO 62a_100011219619_100000754016 [0,2,0,0,0,0|2,0,0]=4 13767 B13R1.14 Cc1ccc(nc1)SC[C@@H](C)CO 62a_100000059175_100000754016 [0,2,0,0,0,0|2,0,0]=4 13768 B13R1.14 Cc1ccc(nc1)SC[C@@H](C)CO 62a_100011192072_100000059175 [0,2,0,0,0,0|2,0,0]=4 13769 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CF 62a_100011192072_100015614560 [0,2,0,0,0,0|2,0,0]=4 13770 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000754016 [0,2,0,0,0,0|2,0,0]=4 13771 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000754016 [0,2,0,0,0,0|2,0,0]=4 13772 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CO 62a_100011192072_100009815848 [0,2,0,0,0,0|2,0,0]=4 13773 B13R1.14 Nc1ccc(nc1)OCC(O)CO 34a_100000729260_100011219619 [0,2,0,0,0,0|2,0,0]=4 13774 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CF 34a_100000729260_100015614560 [0,2,0,0,0,0|2,0,0]=4 13775 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CO 34a_100000729260_100009815848 [0,2,0,0,0,0|2,0,0]=4 13776 B13R1.14 Nc1ccc(nc1)SCC(O)CO 62a_100000737798_100011219619 [0,2,0,0,0,0|2,0,0]=4 13777 B13R1.14 Nc1ccc(nc1)SCC(O)CO 62a_100011219619_100000737798 [0,2,0,0,0,0|2,0,0]=4 13778 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CF 62a_100000737798_100015614560 [0,2,0,0,0,0|2,0,0]=4 13779 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000737798 [0,2,0,0,0,0|2,0,0]=4 13780 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CO 62a_100000737798_100009815848 [0,2,0,0,0,0|2,0,0]=4 13781 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000737798 [0,2,0,0,0,0|2,0,0]=4 13782 B13R1.14 OCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011219619 [0,2,0,0,0,0|2,0,0]=4 13783 B13R1.14 OCC(O)COc1ccc(cn1)F 34a_100000742473_100011219619 [0,2,0,0,0,0|2,0,0]=4 13784 B13R1.14 OCC(O)CSc1ccc(cn1)Br 62a_100000686858_100011219619 [0,2,0,0,0,0|2,0,0]=4 13785 B13R1.14 OCC(O)CSc1ccc(cn1)Br 62a_100011219619_100000686858 [0,2,0,0,0,0|2,0,0]=4 13786 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011219619_100011356976 [0,2,0,0,0,0|2,0,0]=4 13787 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011219619 [0,2,0,0,0,0|2,0,0]=4 13788 B13R1.14 OCC(O)CSc1ccc(cn1)F 62a_100000744514_100011219619 [0,2,0,0,0,0|2,0,0]=4 13789 B13R1.14 OCC(O)CSc1ccc(cn1)F 62a_100011219619_100000744514 [0,2,0,0,0,0|2,0,0]=4 13790 B13R1.14 OCC(O)CSc1ccc(cn1)O 62a_100000685995_100011219619 [0,2,0,0,0,0|2,0,0]=4 13791 B13R1.14 OCC(O)CSc1ccc(cn1)O 62a_100011219619_100000744096 [0,2,0,0,0,0|2,0,0]=4 13792 B13R1.14 OC[C@@H](O)CNc1ccc(cn1)Br 27a_100020644852_100000686858 [0,2,0,0,0,0|2,0,0]=4 13793 B13R1.14 OC[C@H](F)CNc1ccc(cn1)Br 27a_100015665980_100000686858 [0,2,0,0,0,0|2,0,0]=4 13794 B13R1.14 OC[C@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009815848 [0,2,0,0,0,0|2,0,0]=4 13795 B13R1.14 OC[C@H](O)COc1ccc(cn1)F 34a_100000742473_100009815848 [0,2,0,0,0,0|2,0,0]=4 13796 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009815848 [0,2,0,0,0,0|2,0,0]=4 13797 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Br 62a_100009815848_100000686858 [0,2,0,0,0,0|2,0,0]=4 13798 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100009815848_100011356976 [0,2,0,0,0,0|2,0,0]=4 13799 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009815848 [0,2,0,0,0,0|2,0,0]=4 13800 B13R1.14 OC[C@H](O)CSc1ccc(cn1)F 62a_100000744514_100009815848 [0,2,0,0,0,0|2,0,0]=4 13801 B13R1.14 OC[C@H](O)CSc1ccc(cn1)F 62a_100009815848_100000744514 [0,2,0,0,0,0|2,0,0]=4 13802 B13R1.14 OC[C@H](O)CSc1ccc(cn1)O 62a_100000685995_100009815848 [0,2,0,0,0,0|2,0,0]=4 13803 B13R1.14 OC[C@H](O)CSc1ccc(cn1)O 62a_100009815848_100000744096 [0,2,0,0,0,0|2,0,0]=4 13804 B13R1.14 O[C@@H](CF)COc1ccc(cn1)Cl 34a_100011215309_100015614560 [0,2,0,0,0,0|2,0,0]=4 13805 B13R1.14 O[C@@H](CF)COc1ccc(cn1)F 34a_100000742473_100015614560 [0,2,0,0,0,0|2,0,0]=4 13806 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Br 62a_100000686858_100015614560 [0,2,0,0,0,0|2,0,0]=4 13807 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Br 62a_100015614560_100000686858 [0,2,0,0,0,0|2,0,0]=4 13808 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Cl 62a_100011356976_100015614560 [0,2,0,0,0,0|2,0,0]=4 13809 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Cl 62a_100015614560_100011356976 [0,2,0,0,0,0|2,0,0]=4 13810 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)F 62a_100000744514_100015614560 [0,2,0,0,0,0|2,0,0]=4 13811 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)F 62a_100015614560_100000744514 [0,2,0,0,0,0|2,0,0]=4 13812 B13R1.14 Oc1ccc(nc1)SC[C@@H](O)CF 62a_100000685995_100015614560 [0,2,0,0,0,0|2,0,0]=4 13813 B13R1.14 Oc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000744096 [0,2,0,0,0,0|2,0,0]=4 13814 B13R1.17 CC(NCCF)c1ccc(cn1)Br 2230a_100000723930_100011217306 [0,2,0,0,0,0|2,0,0]=4 13815 B13R1.17 CC(NCCF)c1ccc(cn1)Br 269862a_100000724931_100000686046 [0,2,0,0,0,0|2,0,0]=4 13816 B13R1.17 CC(NCCF)c1ccc(cn1)Cl 269862a_100000724931_100000692432 [0,2,0,0,0,0|2,0,0]=4 13817 B13R1.17 CC(NCCF)c1ccc(cn1)F 269862a_100000724931_100102946652 [0,2,0,0,0,0|2,0,0]=4 13818 B13R1.17 CC(NCCO)c1ccc(cn1)Br 2230a_100000723930_100000211926 [0,2,0,0,0,0|2,0,0]=4 13819 B13R1.17 CC(NCCO)c1ccc(cn1)Br 269862a_100000210304_100000686046 [0,2,0,0,0,0|2,0,0]=4 13820 B13R1.17 CC(NCCO)c1ccc(cn1)Br 270004a_100000210304_100000686046 [0,2,0,0,0,0|2,0,0]=4 13821 B13R1.17 CC(NCCO)c1ccc(cn1)Cl 269862a_100000210304_100000692432 [0,2,0,0,0,0|2,0,0]=4 13822 B13R1.17 CC(NCCO)c1ccc(cn1)Cl 270004a_100000210304_100000692432 [0,2,0,0,0,0|2,0,0]=4 13823 B13R1.17 CC(NCCO)c1ccc(cn1)F 269862a_100000210304_100102946652 [0,2,0,0,0,0|2,0,0]=4 13824 B13R1.17 CC(NCCO)c1ccc(cn1)F 270004a_100000210304_100102946652 [0,2,0,0,0,0|2,0,0]=4 13825 B13R1.17 CC(OCCF)c1ccc(cn1)Br 34a_100012353650_100011217306 [0,2,0,0,0,0|2,0,0]=4 13826 B13R1.17 CC(OCCF)c1ccc(cn1)Br 7a_100012353650_100011217306 [0,2,0,0,0,0|2,0,0]=4 13827 B13R1.17 CC(OCCO)c1ccc(cn1)Br 34a_100012353650_100000211926 [0,2,0,0,0,0|2,0,0]=4 13828 B13R1.17 CC(OCCO)c1ccc(cn1)Br 7a_100012353650_100000211926 [0,2,0,0,0,0|2,0,0]=4 13829 B13R1.17 CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210211 [0,2,0,0,0,0|1,0,1]=4 13830 B13R1.17 CCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210211 [0,2,0,0,0,0|1,0,1]=4 13831 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210211 [0,2,0,0,0,0|1,0,1]=4 13832 B13R1.17 CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210211 [0,2,0,0,0,0|1,0,1]=4 13833 B13R1.17 CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210211 [0,2,0,0,0,0|1,0,1]=4 13834 B13R1.17 CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210211 [0,2,0,0,0,0|1,0,1]=4 13835 B13R1.17 CCCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011215321 [0,2,0,0,0,0|1,0,1]=4 13836 B13R1.17 CCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210211 [0,2,0,0,0,0|2,0,0]=4 13837 B13R1.17 CCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210211 [0,2,0,0,0,0|2,0,0]=4 13838 B13R1.17 CCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210210 [0,2,0,0,0,0|2,0,0]=4 13839 B13R1.17 CCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210211 [0,2,0,0,0,0|2,0,0]=4 13840 B13R1.17 CCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210211 [0,2,0,0,0,0|2,0,0]=4 13841 B13R1.17 CCCCN(C)c1ccc(cc1)C 34a_100000219977_100000210210 [0,2,0,0,0,0|2,0,0]=4 13842 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210211 [0,2,0,0,0,0|2,0,0]=4 13843 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210211 [0,2,0,0,0,0|2,0,0]=4 13844 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210210 [0,2,0,0,0,0|2,0,0]=4 13845 B13R1.17 CCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210211 [0,2,0,0,0,0|2,0,0]=4 13846 B13R1.17 CCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210211 [0,2,0,0,0,0|2,0,0]=4 13847 B13R1.17 CCCCN(C)c1ccc(cc1)F 34a_100000219829_100000210210 [0,2,0,0,0,0|2,0,0]=4 13848 B13R1.17 CCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210211 [0,2,0,0,0,0|2,0,0]=4 13849 B13R1.17 CCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210211 [0,2,0,0,0,0|2,0,0]=4 13850 B13R1.17 CCCCN(C)c1ccc(cc1)I 34a_100000743151_100000210210 [0,2,0,0,0,0|2,0,0]=4 13851 B13R1.17 CCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210211 [0,2,0,0,0,0|2,0,0]=4 13852 B13R1.17 CCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210210 [0,2,0,0,0,0|2,0,0]=4 13853 B13R1.17 CCCCN(C)c1ccc(cn1)Br 27a_100000207549_100000686858 [0,2,0,0,0,0|1,0,0]=3 13854 B13R1.17 CCCCN(C)c1ccc(nn1)C 27a_100000207549_100000744512 [0,2,0,0,0,0|2,0,0]=4 13855 B13R1.17 CCCCN(C)c1cnc(cn1)Br 27a_100000207549_100010187541 [0,2,0,0,0,0|2,0,0]=4 13856 B13R1.17 CCCCN(C)c1cnc(cn1)C 27a_100000207549_100000074397 [0,2,0,0,0,0|2,0,0]=4 13857 B13R1.17 CCCCN(C)c1cnc(cn1)F 27a_100000207549_100009856528 [0,2,0,0,0,0|2,0,0]=4 13858 B13R1.17 CCCCN(C)c1ncc(cn1)Br 27a_100000207549_100000690281 [0,2,0,0,0,0|2,0,0]=4 13859 B13R1.17 CCCCN(C)c1ncc(cn1)C 27a_100000207549_100000061069 [0,2,0,0,0,0|2,0,0]=4 13860 B13R1.17 CCCCN(C)c1ncc(cn1)Cl 27a_100000207549_100011356929 [0,2,0,0,0,0|2,0,0]=4 13861 B13R1.17 CCCCN(C)c1ncc(cn1)F 27a_100000207549_100000685220 [0,2,0,0,0,0|2,0,0]=4 13862 B13R1.17 CCCCN(C)c1ncc(cn1)O 271570a_203496583355_100011939186 [0,2,0,0,0,0|2,0,0]=4 13863 B13R1.17 CCCCS(=O)c1ccc(cc1)O 271570a_203496583355_100016336038 [0,2,0,0,0,0|2,0,0]=4 13864 B13R1.17 CCCNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781247 [0,2,0,0,0,0|1,0,1]=4 13865 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [0,2,0,0,0,0|2,0,0]=4 13866 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,2,0,0,0,0|2,0,0]=4 13867 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,2,0,0,0,0|2,0,0]=4 13868 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [0,2,0,0,0,0|2,0,0]=4 13869 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [0,2,0,0,0,0|2,0,0]=4 13870 B13R1.17 CCCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000210303 [0,2,0,0,0,0|1,0,0]=3 13871 B13R1.17 CCCNC(C)c1ccc(cn1)Br 269862a_100020643023_100000686046 [0,2,0,0,0,0|1,0,0]=3 13872 B13R1.17 CCCNC(C)c1ccc(cn1)Br 270004a_100020643023_100000686046 [0,2,0,0,0,0|1,0,0]=3 13873 B13R1.17 CCCNC(C)c1ccc(cn1)C 269862a_100020643023_100000084104 [0,2,0,0,0,0|1,0,0]=3 13874 B13R1.17 CCCNC(C)c1ccc(cn1)C 270004a_100020643023_100000084104 [0,2,0,0,0,0|1,0,0]=3 13875 B13R1.17 CCCNC(C)c1ccc(cn1)Cl 269862a_100020643023_100000692432 [0,2,0,0,0,0|1,0,0]=3 13876 B13R1.17 CCCNC(C)c1ccc(cn1)Cl 270004a_100020643023_100000692432 [0,2,0,0,0,0|1,0,0]=3 13877 B13R1.17 CCCNC(C)c1ccc(cn1)F 269862a_100020643023_100102946652 [0,2,0,0,0,0|1,0,0]=3 13878 B13R1.17 CCCNC(C)c1ccc(cn1)F 270004a_100020643023_100102946652 [0,2,0,0,0,0|1,0,0]=3 13879 B13R1.17 CCCNC(C)c1cnc(cn1)Cl 269862a_100020643023_100009883172 [0,2,0,0,0,0|2,0,0]=4 13880 B13R1.17 CCCNC(C)c1cnc(cn1)Cl 270004a_100020643023_100009883172 [0,2,0,0,0,0|2,0,0]=4 13881 B13R1.17 CCCNC(C)c1ncc(cn1)Br 269862a_100020643023_100010077182 [0,2,0,0,0,0|2,0,0]=4 13882 B13R1.17 CCCNC(C)c1ncc(cn1)Br 270004a_100020643023_100010077182 [0,2,0,0,0,0|2,0,0]=4 13883 B13R1.17 CCCNC(C)c1ncc(cn1)F 269862a_100020643023_200009841639 [0,2,0,0,0,0|2,0,0]=4 13884 B13R1.17 CCCNC(C)c1ncc(cn1)F 270004a_100020643023_200009841639 [0,2,0,0,0,0|2,0,0]=4 13885 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [0,2,0,0,0,0|2,0,0]=4 13886 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [0,2,0,0,0,0|2,0,0]=4 13887 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13888 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [0,2,0,0,0,0|2,0,0]=4 13889 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [0,2,0,0,0,0|2,0,0]=4 13890 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,2,0,0,0,0|2,0,0]=4 13891 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,2,0,0,0,0|2,0,0]=4 13892 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,2,0,0,0,0|2,0,0]=4 13893 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,2,0,0,0,0|2,0,0]=4 13894 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,2,0,0,0,0|2,0,0]=4 13895 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,2,0,0,0,0|2,0,0]=4 13896 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,2,0,0,0,0|2,0,0]=4 13897 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,2,0,0,0,0|2,0,0]=4 13898 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,2,0,0,0,0|2,0,0]=4 13899 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,2,0,0,0,0|2,0,0]=4 13900 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,2,0,0,0,0|2,0,0]=4 13901 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,2,0,0,0,0|2,0,0]=4 13902 B13R1.17 CCCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210303 [0,2,0,0,0,0|1,0,0]=3 13903 B13R1.17 CCCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210303 [0,2,0,0,0,0|1,0,0]=3 13904 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,2,0,0,0,0|2,0,0]=4 13905 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,2,0,0,0,0|2,0,0]=4 13906 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,2,0,0,0,0|2,0,0]=4 13907 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,2,0,0,0,0|2,0,0]=4 13908 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000210303_100000755118 [0,2,0,0,0,0|2,0,0]=4 13909 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210303 [0,2,0,0,0,0|2,0,0]=4 13910 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,2,0,0,0,0|2,0,0]=4 13911 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,2,0,0,0,0|2,0,0]=4 13912 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,2,0,0,0,0|2,0,0]=4 13913 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,2,0,0,0,0|2,0,0]=4 13914 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000210303_100000743420 [0,2,0,0,0,0|2,0,0]=4 13915 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210303 [0,2,0,0,0,0|2,0,0]=4 13916 B13R1.17 CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210202 [0,2,0,0,0,0|2,0,0]=4 13917 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [0,2,0,0,0,0|2,0,0]=4 13918 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,2,0,0,0,0|2,0,0]=4 13919 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [0,2,0,0,0,0|2,0,0]=4 13920 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [0,2,0,0,0,0|2,0,0]=4 13921 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [0,2,0,0,0,0|2,0,0]=4 13922 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [0,2,0,0,0,0|2,0,0]=4 13923 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,2,0,0,0,0|2,0,0]=4 13924 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [0,2,0,0,0,0|2,0,0]=4 13925 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [0,2,0,0,0,0|2,0,0]=4 13926 B13R1.17 CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 13927 B13R1.17 CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210202 [0,2,0,0,0,0|2,0,0]=4 13928 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [0,2,0,0,0,0|2,0,0]=4 13929 B13R1.17 CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 13930 B13R1.17 CCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210202 [0,2,0,0,0,0|2,0,0]=4 13931 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [0,2,0,0,0,0|2,0,0]=4 13932 B13R1.17 CCSCC(=O)c1ccc(cn1)Cl 62a_100000210202_100016989621 [0,2,0,0,0,0|1,0,1]=4 13933 B13R1.17 CCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210202 [0,2,0,0,0,0|1,0,1]=4 13934 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [0,2,0,0,0,0|2,0,0]=4 13935 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [0,2,0,0,0,0|2,0,0]=4 13936 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [0,2,0,0,0,0|2,0,0]=4 13937 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [0,2,0,0,0,0|2,0,0]=4 13938 B13R1.17 CN(CCCO)c1ccc(cn1)Br 27a_100000213112_100000686858 [0,2,0,0,0,0|2,0,0]=4 13939 B13R1.17 COCCC(N)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 13940 B13R1.17 COCCC(N)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 13941 B13R1.17 COCCC(N)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 13942 B13R1.17 COCCN(C)c1ccc(cn1)Br 27a_100000743101_100000686858 [0,2,0,0,0,0|2,0,0]=4 13943 B13R1.17 COCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 13944 B13R1.17 COCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200000210301 [0,2,0,0,0,0|2,0,0]=4 13945 B13R1.17 COCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000766300 [0,2,0,0,0,0|2,0,0]=4 13946 B13R1.17 CSCCN(C)c1ccc(cn1)Br 27a_100000686725_100000686858 [0,2,0,0,0,0|2,0,0]=4 13947 B13R1.17 CSCNC(C)c1ccc(cn1)Br 2230a_100000723930_100011218213 [0,2,0,0,0,0|2,0,0]=4 13948 B13R1.17 CSCOC(C)c1ccc(cn1)Br 34a_100012353650_100011218213 [0,2,0,0,0,0|2,0,0]=4 13949 B13R1.17 Cc1ccc(cc1)C(N)CCO[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 13950 B13R1.17 Cc1ccc(nc1)C(C)NCCF 269862a_100000724931_100000084104 [0,2,0,0,0,0|2,0,0]=4 13951 B13R1.17 Cc1ccc(nc1)C(C)NCCO 269862a_100000210304_100000084104 [0,2,0,0,0,0|2,0,0]=4 13952 B13R1.17 Cc1ccc(nc1)C(C)NCCO 270004a_100000210304_100000084104 [0,2,0,0,0,0|2,0,0]=4 13953 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 13954 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 13955 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 13956 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200025704644 [0,2,0,0,0,0|2,0,0]=4 13957 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,2,0,0,0,0|2,0,0]=4 13958 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,2,0,0,0,0|2,0,0]=4 13959 B13R1.19 CC(CCO)Oc1ccc(cn1)Cl 34a_100011215309_100009893172 [0,2,0,0,0,0|2,0,0]=4 13960 B13R1.19 CC(CCO)Oc1ccc(cn1)F 34a_100000742473_100009893172 [0,2,0,0,0,0|2,0,0]=4 13961 B13R1.19 CC(CCO)Oc1ccc(cn1)N 34a_100000729260_100009893172 [0,2,0,0,0,0|2,0,0]=4 13962 B13R1.19 CC(CCO)Sc1ccc(cn1)Br 62a_100000686858_100009893172 [0,2,0,0,0,0|2,0,0]=4 13963 B13R1.19 CC(CCO)Sc1ccc(cn1)Br 62a_100009893172_100000686858 [0,2,0,0,0,0|2,0,0]=4 13964 B13R1.19 CC(CCO)Sc1ccc(cn1)Cl 62a_100009893172_100011356976 [0,2,0,0,0,0|2,0,0]=4 13965 B13R1.19 CC(CCO)Sc1ccc(cn1)Cl 62a_100011356976_100009893172 [0,2,0,0,0,0|2,0,0]=4 13966 B13R1.19 CC(CCO)Sc1ccc(cn1)F 62a_100000744514_100009893172 [0,2,0,0,0,0|2,0,0]=4 13967 B13R1.19 CC(CCO)Sc1ccc(cn1)F 62a_100009893172_100000744514 [0,2,0,0,0,0|2,0,0]=4 13968 B13R1.19 CC(CCO)Sc1ccc(cn1)N 62a_100000737798_100009893172 [0,2,0,0,0,0|2,0,0]=4 13969 B13R1.19 CC(CCO)Sc1ccc(cn1)N 62a_100009893172_100000737798 [0,2,0,0,0,0|2,0,0]=4 13970 B13R1.19 CC(CCO)Sc1ccc(cn1)O 62a_100000685995_100009893172 [0,2,0,0,0,0|2,0,0]=4 13971 B13R1.19 CC(CCO)Sc1ccc(cn1)O 62a_100009893172_100000744096 [0,2,0,0,0,0|2,0,0]=4 13972 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210303 [0,2,0,0,0,0|1,0,1]=4 13973 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000211992_100000189115 [0,2,0,0,0,0|1,0,1]=4 13974 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000211992_100000210814 [0,2,0,0,0,0|1,0,1]=4 13975 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210303 [0,2,0,0,0,0|1,0,1]=4 13976 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210303 [0,2,0,0,0,0|1,0,1]=4 13977 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211992_100000694040 [0,2,0,0,0,0|1,0,1]=4 13978 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210303 [0,2,0,0,0,0|1,0,1]=4 13979 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000211992_100000198546 [0,2,0,0,0,0|1,0,1]=4 13980 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000211992_100000189116 [0,2,0,0,0,0|1,0,1]=4 13981 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210303 [0,2,0,0,0,0|1,0,1]=4 13982 B13R1.19 CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210303 [0,2,0,0,0,0|1,0,1]=4 13983 B13R1.19 CCCC(=O)Cc1ccc(cn1)Br 1458a_100000211992_100000702658 [0,2,0,0,0,0|0,0,1]=3 13984 B13R1.19 CCCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210303 [0,2,0,0,0,0|0,0,1]=3 13985 B13R1.19 CCCC(=O)Cc1ccc(cn1)C 1458a_100000211992_100000691093 [0,2,0,0,0,0|0,0,1]=3 13986 B13R1.19 CCCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210303 [0,2,0,0,0,0|0,0,1]=3 13987 B13R1.19 CCCC(=O)Cc1ccc(cn1)Cl 1458a_100000211992_100012066911 [0,2,0,0,0,0|0,0,1]=3 13988 B13R1.19 CCCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210303 [0,2,0,0,0,0|0,0,1]=3 13989 B13R1.19 CCCC(=O)Cc1ccc(cn1)F 1458a_100000211992_100000703193 [0,2,0,0,0,0|0,0,1]=3 13990 B13R1.19 CCCC(=O)Cc1ccc(nn1)Cl 1458a_100000211992_100016992710 [0,2,0,0,0,0|1,0,1]=4 13991 B13R1.19 CCCC(=O)Cc1cnc(cn1)C 1458a_100000211992_100000752025 [0,2,0,0,0,0|1,0,1]=4 13992 B13R1.19 CCCC(=O)Cc1ncc(cn1)Br 1458a_100000211992_100010064664 [0,2,0,0,0,0|1,0,1]=4 13993 B13R1.19 CCCC(=O)Cc1ncc(cn1)C 1458a_100000211992_100000685645 [0,2,0,0,0,0|1,0,1]=4 13994 B13R1.19 CCCC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193317 [0,2,0,0,0,0|1,0,1]=4 13995 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000766640 [0,2,0,0,0,0|2,0,0]=4 13996 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000766640 [0,2,0,0,0,0|2,0,0]=4 13997 B13R1.19 CCCC(C)Nc1ccc(cc1)C 34a_100000124888_100000766640 [0,2,0,0,0,0|2,0,0]=4 13998 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000766640 [0,2,0,0,0,0|2,0,0]=4 13999 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000766640 [0,2,0,0,0,0|2,0,0]=4 14000 B13R1.19 CCCC(C)Nc1ccc(cc1)F 34a_100000185862_100000766640 [0,2,0,0,0,0|2,0,0]=4 14001 B13R1.19 CCCC(C)Nc1ccc(cc1)I 34a_100000185761_100000766640 [0,2,0,0,0,0|2,0,0]=4 14002 B13R1.19 CCCC(C)Nc1ccc(cc1)O 34a_100000185829_100000766640 [0,2,0,0,0,0|2,0,0]=4 14003 B13R1.19 CCCC(C)Nc1ccc(cn1)Br 27a_100000741246_100000686858 [0,2,0,0,0,0|1,0,0]=3 14004 B13R1.19 CCCC(C)Nc1ccc(nn1)C 27a_100000741246_100000744512 [0,2,0,0,0,0|2,0,0]=4 14005 B13R1.19 CCCC(C)Nc1cnc(cn1)Br 27a_100000741246_100010187541 [0,2,0,0,0,0|2,0,0]=4 14006 B13R1.19 CCCC(C)Nc1cnc(cn1)C 27a_100000741246_100000074397 [0,2,0,0,0,0|2,0,0]=4 14007 B13R1.19 CCCC(C)Nc1cnc(cn1)F 27a_100000741246_100009856528 [0,2,0,0,0,0|2,0,0]=4 14008 B13R1.19 CCCC(C)Nc1ncc(cn1)Br 27a_100000741246_100000690281 [0,2,0,0,0,0|2,0,0]=4 14009 B13R1.19 CCCC(C)Nc1ncc(cn1)C 27a_100000741246_100000061069 [0,2,0,0,0,0|2,0,0]=4 14010 B13R1.19 CCCC(C)Nc1ncc(cn1)Cl 27a_100000741246_100011356929 [0,2,0,0,0,0|2,0,0]=4 14011 B13R1.19 CCCC(C)Nc1ncc(cn1)F 27a_100000741246_100000685220 [0,2,0,0,0,0|2,0,0]=4 14012 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000766640 [0,2,0,0,0,0|2,0,0]=4 14013 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000766640 [0,2,0,0,0,0|2,0,0]=4 14014 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [0,2,0,0,0,0|2,0,0]=4 14015 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [0,2,0,0,0,0|2,0,0]=4 14016 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000766640 [0,2,0,0,0,0|2,0,0]=4 14017 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000766640 [0,2,0,0,0,0|2,0,0]=4 14018 B13R1.19 CCCC(C)Oc1ccc(cc1)F 34a_100000210339_100000766640 [0,2,0,0,0,0|2,0,0]=4 14019 B13R1.19 CCCC(C)Oc1ccc(cc1)I 34a_100000212066_100000766640 [0,2,0,0,0,0|2,0,0]=4 14020 B13R1.19 CCCC(C)Oc1ccc(cc1)I 7a_100000212066_100000766640 [0,2,0,0,0,0|2,0,0]=4 14021 B13R1.19 CCCC(C)Oc1ccc(cc1)N 34a_100000185829_100000766640 [0,2,0,0,0,0|2,0,0]=4 14022 B13R1.19 CCCC(C)Oc1ccc(cn1)C 34a_100000759353_100000766640 [0,2,0,0,0,0|1,0,0]=3 14023 B13R1.19 CCCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000766640 [0,2,0,0,0,0|1,0,0]=3 14024 B13R1.19 CCCC(C)Oc1ccc(cn1)F 34a_100000742473_100000766640 [0,2,0,0,0,0|1,0,0]=3 14025 B13R1.19 CCCC(C)Oc1ccc(cn1)N 34a_100000729260_100000766640 [0,2,0,0,0,0|1,0,0]=3 14026 B13R1.19 CCCC(C)Oc1cnc(cn1)Br 34a_100011934580_100000766640 [0,2,0,0,0,0|2,0,0]=4 14027 B13R1.19 CCCC(C)Oc1cnc(cn1)Cl 34a_100015839800_100000766640 [0,2,0,0,0,0|2,0,0]=4 14028 B13R1.19 CCCC(C)Oc1ncc(cn1)F 34a_100011934040_100000766640 [0,2,0,0,0,0|2,0,0]=4 14029 B13R1.19 CCCC(C)Sc1ccc(=O)[nH]n1 62a_100000766640_100009820020 [0,2,0,0,0,0|2,0,0]=4 14030 B13R1.19 CCCC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100000766640 [0,2,0,0,0,0|2,0,0]=4 14031 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000766640 [0,2,0,0,0,0|2,0,0]=4 14032 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000766640_100000752885 [0,2,0,0,0,0|2,0,0]=4 14033 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000186775_100000766640 [0,2,0,0,0,0|2,0,0]=4 14034 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000766640_100000186775 [0,2,0,0,0,0|2,0,0]=4 14035 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000766640 [0,2,0,0,0,0|2,0,0]=4 14036 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000766640_100000755918 [0,2,0,0,0,0|2,0,0]=4 14037 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000211213_100000766640 [0,2,0,0,0,0|2,0,0]=4 14038 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000766640_100000211213 [0,2,0,0,0,0|2,0,0]=4 14039 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000185761_100000766640 [0,2,0,0,0,0|2,0,0]=4 14040 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000766640_100000185761 [0,2,0,0,0,0|2,0,0]=4 14041 B13R1.19 CCCC(C)Sc1ccc(cc1)O 62a_100000766640_100000185759 [0,2,0,0,0,0|2,0,0]=4 14042 B13R1.19 CCCC(C)Sc1ccc(cn1)Br 62a_100000686858_100000766640 [0,2,0,0,0,0|1,0,0]=3 14043 B13R1.19 CCCC(C)Sc1ccc(cn1)Br 62a_100000766640_100000686858 [0,2,0,0,0,0|1,0,0]=3 14044 B13R1.19 CCCC(C)Sc1ccc(cn1)C 62a_100000766640_100000754016 [0,2,0,0,0,0|1,0,0]=3 14045 B13R1.19 CCCC(C)Sc1ccc(cn1)C 62a_100011192072_100000766640 [0,2,0,0,0,0|1,0,0]=3 14046 B13R1.19 CCCC(C)Sc1ccc(cn1)Cl 62a_100000766640_100011356976 [0,2,0,0,0,0|1,0,0]=3 14047 B13R1.19 CCCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000766640 [0,2,0,0,0,0|1,0,0]=3 14048 B13R1.19 CCCC(C)Sc1ccc(cn1)F 62a_100000744514_100000766640 [0,2,0,0,0,0|1,0,0]=3 14049 B13R1.19 CCCC(C)Sc1ccc(cn1)F 62a_100000766640_100000744514 [0,2,0,0,0,0|1,0,0]=3 14050 B13R1.19 CCCC(C)Sc1ccc(cn1)N 62a_100000737798_100000766640 [0,2,0,0,0,0|1,0,0]=3 14051 B13R1.19 CCCC(C)Sc1ccc(cn1)N 62a_100000766640_100000737798 [0,2,0,0,0,0|1,0,0]=3 14052 B13R1.19 CCCC(C)Sc1ccc(cn1)O 62a_100000685995_100000766640 [0,2,0,0,0,0|1,0,0]=3 14053 B13R1.19 CCCC(C)Sc1ccc(cn1)O 62a_100000766640_100000744096 [0,2,0,0,0,0|1,0,0]=3 14054 B13R1.19 CCCC(C)Sc1ccc(nn1)C 62a_100000744512_100000766640 [0,2,0,0,0,0|2,0,0]=4 14055 B13R1.19 CCCC(C)Sc1ccc(nn1)C 62a_100000766640_100000744512 [0,2,0,0,0,0|2,0,0]=4 14056 B13R1.19 CCCC(C)Sc1ccc(nn1)Cl 62a_100000068654_100000766640 [0,2,0,0,0,0|2,0,0]=4 14057 B13R1.19 CCCC(C)Sc1ccc(nn1)Cl 62a_100000766640_100000068654 [0,2,0,0,0,0|2,0,0]=4 14058 B13R1.19 CCCC(C)Sc1ccc(nn1)N 62a_100000766640_100010219413 [0,2,0,0,0,0|2,0,0]=4 14059 B13R1.19 CCCC(C)Sc1ccc(nn1)N 62a_100010219413_100000766640 [0,2,0,0,0,0|2,0,0]=4 14060 B13R1.19 CCCC(C)Sc1cnc(cn1)Br 62a_100000766640_100010187541 [0,2,0,0,0,0|2,0,0]=4 14061 B13R1.19 CCCC(C)Sc1cnc(cn1)Br 62a_100010187541_100000766640 [0,2,0,0,0,0|2,0,0]=4 14062 B13R1.19 CCCC(C)Sc1cnc(cn1)C 62a_100000766640_100011999403 [0,2,0,0,0,0|2,0,0]=4 14063 B13R1.19 CCCC(C)Sc1cnc(cn1)C 62a_100011999403_100000766640 [0,2,0,0,0,0|2,0,0]=4 14064 B13R1.19 CCCC(C)Sc1cnc(cn1)Cl 62a_100000766640_100010214907 [0,2,0,0,0,0|2,0,0]=4 14065 B13R1.19 CCCC(C)Sc1cnc(cn1)Cl 62a_100010214907_100000766640 [0,2,0,0,0,0|2,0,0]=4 14066 B13R1.19 CCCC(C)Sc1cnc(cn1)F 62a_100000766640_100009856528 [0,2,0,0,0,0|2,0,0]=4 14067 B13R1.19 CCCC(C)Sc1cnc(cn1)F 62a_100009856528_100000766640 [0,2,0,0,0,0|2,0,0]=4 14068 B13R1.19 CCCC(C)Sc1cnc(cn1)N 62a_100000744751_100000766640 [0,2,0,0,0,0|2,0,0]=4 14069 B13R1.19 CCCC(C)Sc1cnc(cn1)N 62a_100000766640_100000744751 [0,2,0,0,0,0|2,0,0]=4 14070 B13R1.19 CCCC(C)Sc1cnc(cn1)O 62a_100000766640_100015839800 [0,2,0,0,0,0|2,0,0]=4 14071 B13R1.19 CCCC(C)Sc1cnc(cn1)O 62a_100011934580_100000766640 [0,2,0,0,0,0|2,0,0]=4 14072 B13R1.19 CCCC(C)Sc1ncc(cn1)Br 62a_100000690281_100000766640 [0,2,0,0,0,0|2,0,0]=4 14073 B13R1.19 CCCC(C)Sc1ncc(cn1)Br 62a_100000766640_100000690281 [0,2,0,0,0,0|2,0,0]=4 14074 B13R1.19 CCCC(C)Sc1ncc(cn1)C 62a_100000061069_100000766640 [0,2,0,0,0,0|2,0,0]=4 14075 B13R1.19 CCCC(C)Sc1ncc(cn1)C 62a_100000766640_100000061069 [0,2,0,0,0,0|2,0,0]=4 14076 B13R1.19 CCCC(C)Sc1ncc(cn1)Cl 62a_100000766640_100011356929 [0,2,0,0,0,0|2,0,0]=4 14077 B13R1.19 CCCC(C)Sc1ncc(cn1)Cl 62a_100011356929_100000766640 [0,2,0,0,0,0|2,0,0]=4 14078 B13R1.19 CCCC(C)Sc1ncc(cn1)F 62a_100000685220_100000766640 [0,2,0,0,0,0|2,0,0]=4 14079 B13R1.19 CCCC(C)Sc1ncc(cn1)F 62a_100000766640_100000685220 [0,2,0,0,0,0|2,0,0]=4 14080 B13R1.19 CCCC(C)Sc1ncc(cn1)N 62a_100000068403_100000766640 [0,2,0,0,0,0|2,0,0]=4 14081 B13R1.19 CCCC(C)Sc1ncc(cn1)N 62a_100000766640_100000068403 [0,2,0,0,0,0|2,0,0]=4 14082 B13R1.19 CCCC(C)Sc1ncc(cn1)O 62a_100000730009_100000766640 [0,2,0,0,0,0|2,0,0]=4 14083 B13R1.19 CCCC(C)Sc1ncc(cn1)O 62a_100000766640_100000092845 [0,2,0,0,0,0|2,0,0]=4 14084 B13R1.19 CCCN(C)Cc1ccc(=O)[nH]n1 270004a_100000747261_100011361533 [0,2,0,0,0,0|2,0,0]=4 14085 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210303 [0,2,0,0,0,0|2,0,0]=4 14086 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000747261_100011217064 [0,2,0,0,0,0|2,0,0]=4 14087 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210303 [0,2,0,0,0,0|2,0,0]=4 14088 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000747261_100011217064 [0,2,0,0,0,0|2,0,0]=4 14089 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 26a_100000747261_100000185759 [0,2,0,0,0,0|2,0,0]=4 14090 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 270004a_100000747261_100000186029 [0,2,0,0,0,0|2,0,0]=4 14091 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 14092 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 14093 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000747261_100000210814 [0,2,0,0,0,0|2,0,0]=4 14094 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 14095 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 14096 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000747261_100000210814 [0,2,0,0,0,0|2,0,0]=4 14097 B13R1.19 CCCN(C)Cc1ccc(cc1)C 26a_100000747261_200020625495 [0,2,0,0,0,0|2,0,0]=4 14098 B13R1.19 CCCN(C)Cc1ccc(cc1)C 270004a_100000747261_100000211033 [0,2,0,0,0,0|2,0,0]=4 14099 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 14100 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 14101 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 14102 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000747261_100000694040 [0,2,0,0,0,0|2,0,0]=4 14103 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 14104 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 14105 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000747261_100000187161 [0,2,0,0,0,0|2,0,0]=4 14106 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 14107 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 270004a_100000747261_100000189385 [0,2,0,0,0,0|2,0,0]=4 14108 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 14109 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 14110 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 14111 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 14112 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000747261_100000198546 [0,2,0,0,0,0|2,0,0]=4 14113 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 14114 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 14115 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000747261_100000198546 [0,2,0,0,0,0|2,0,0]=4 14116 B13R1.19 CCCN(C)Cc1ccc(cc1)F 270004a_100000747261_100000210084 [0,2,0,0,0,0|2,0,0]=4 14117 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 14118 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 14119 B13R1.19 CCCN(C)Cc1ccc(cc1)I 2230a_100000747261_100000189116 [0,2,0,0,0,0|2,0,0]=4 14120 B13R1.19 CCCN(C)Cc1ccc(cc1)I 269982a_100000747261_100000189116 [0,2,0,0,0,0|2,0,0]=4 14121 B13R1.19 CCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210303 [0,2,0,0,0,0|2,0,0]=4 14122 B13R1.19 CCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210303 [0,2,0,0,0,0|2,0,0]=4 14123 B13R1.19 CCCN(C)Cc1ccc(cn1)Br 2230a_100000747261_100000702658 [0,2,0,0,0,0|1,0,0]=3 14124 B13R1.19 CCCN(C)Cc1ccc(cn1)Br 269982a_100000747261_100000702658 [0,2,0,0,0,0|1,0,0]=3 14125 B13R1.19 CCCN(C)Cc1ccc(cn1)Br 270004a_100000747261_100000754260 [0,2,0,0,0,0|1,0,0]=3 14126 B13R1.19 CCCN(C)Cc1ccc(cn1)C 2230a_100000747261_100000691093 [0,2,0,0,0,0|1,0,0]=3 14127 B13R1.19 CCCN(C)Cc1ccc(cn1)C 2230a_200000717808_100000210303 [0,2,0,0,0,0|1,0,0]=3 14128 B13R1.19 CCCN(C)Cc1ccc(cn1)C 269982a_100000747261_100000691093 [0,2,0,0,0,0|1,0,0]=3 14129 B13R1.19 CCCN(C)Cc1ccc(cn1)C 269982a_200000717808_100000210303 [0,2,0,0,0,0|1,0,0]=3 14130 B13R1.19 CCCN(C)Cc1ccc(cn1)C 270004a_100000747261_100000050478 [0,2,0,0,0,0|1,0,0]=3 14131 B13R1.19 CCCN(C)Cc1ccc(cn1)Cl 2230a_100000747261_100012066911 [0,2,0,0,0,0|1,0,0]=3 14132 B13R1.19 CCCN(C)Cc1ccc(cn1)Cl 269982a_100000747261_100000697101 [0,2,0,0,0,0|1,0,0]=3 14133 B13R1.19 CCCN(C)Cc1ccc(cn1)Cl 270004a_100000747261_100011361569 [0,2,0,0,0,0|1,0,0]=3 14134 B13R1.19 CCCN(C)Cc1ccc(cn1)F 2230a_100000747261_100000703193 [0,2,0,0,0,0|1,0,0]=3 14135 B13R1.19 CCCN(C)Cc1ccc(cn1)F 269982a_100000747261_100000703193 [0,2,0,0,0,0|1,0,0]=3 14136 B13R1.19 CCCN(C)Cc1ccc(cn1)F 270004a_100000747261_100011934744 [0,2,0,0,0,0|1,0,0]=3 14137 B13R1.19 CCCN(C)Cc1ccc(nn1)Cl 2230a_100000747261_100016992710 [0,2,0,0,0,0|2,0,0]=4 14138 B13R1.19 CCCN(C)Cc1ccc(nn1)Cl 270004a_100000747261_100000044651 [0,2,0,0,0,0|2,0,0]=4 14139 B13R1.19 CCCN(C)Cc1cnc(cn1)C 2230a_100000747261_100000752025 [0,2,0,0,0,0|2,0,0]=4 14140 B13R1.19 CCCN(C)Cc1cnc(cn1)C 269982a_100000747261_100000752025 [0,2,0,0,0,0|2,0,0]=4 14141 B13R1.19 CCCN(C)Cc1cnc(cn1)C 270004a_100000747261_100000685221 [0,2,0,0,0,0|2,0,0]=4 14142 B13R1.19 CCCN(C)Cc1cnc(cn1)Cl 270004a_100000747261_100012001714 [0,2,0,0,0,0|2,0,0]=4 14143 B13R1.19 CCCN(C)Cc1ncc(cn1)Br 269982a_100000747261_100010064664 [0,2,0,0,0,0|2,0,0]=4 14144 B13R1.19 CCCN(C)Cc1ncc(cn1)C 2230a_100000747261_100000685645 [0,2,0,0,0,0|2,0,0]=4 14145 B13R1.19 CCCN(C)Cc1ncc(cn1)C 269982a_100000747261_100000685645 [0,2,0,0,0,0|2,0,0]=4 14146 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 2230a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 14147 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 269982a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 14148 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 34a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 14149 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 14150 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 14151 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 34a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 14152 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 2230a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 14153 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 269982a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 14154 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 34a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 14155 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br 11a_100015525214_100020629044 [0,2,0,0,0,0|1,0,1]=4 14156 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br 240690a_100015525214_100020629044 [0,2,0,0,0,0|1,0,1]=4 14157 B13R1.19 CCNC(=O)Cc1ccc(cn1)C 11a_100015525214_100025705728 [0,2,0,0,0,0|1,0,1]=4 14158 B13R1.19 CCNC(=O)Cc1ccc(cn1)C 240690a_100015525214_100025705728 [0,2,0,0,0,0|1,0,1]=4 14159 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 11a_100015525214_100000728320 [0,2,0,0,0,0|1,0,1]=4 14160 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 240690a_100015525214_100000728320 [0,2,0,0,0,0|1,0,1]=4 14161 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 527a_100015525214_100000728320 [0,2,0,0,0,0|1,0,1]=4 14162 B13R1.19 CCNC(C)Cc1ccc(cc1)Br 270004a_100015525214_100000691760 [0,2,0,0,0,0|2,0,0]=4 14163 B13R1.19 CCNC(C)Cc1ccc(cc1)C 270004a_100015525214_100000751045 [0,2,0,0,0,0|2,0,0]=4 14164 B13R1.19 CCNC(C)Cc1ccc(cc1)Cl 270004a_100015525214_100000747806 [0,2,0,0,0,0|2,0,0]=4 14165 B13R1.19 CCNC(C)Cc1ccc(cc1)F 270004a_100015525214_100000745281 [0,2,0,0,0,0|2,0,0]=4 14166 B13R1.19 CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210202 [0,2,0,0,0,0|2,0,0]=4 14167 B13R1.19 CCNC(C)Cc1ccc(cc1)O 270004a_100015525214_100011218180 [0,2,0,0,0,0|2,0,0]=4 14168 B13R1.19 CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210202 [0,2,0,0,0,0|2,0,0]=4 14169 B13R1.19 CCOC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012359163 [0,2,0,0,0,0|1,0,1]=4 14170 B13R1.19 CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210202 [0,2,0,0,0,0|2,0,0]=4 14171 B13R1.19 CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210202 [0,2,0,0,0,0|2,0,0]=4 14172 B13R1.19 CN(CCO)Cc1ccc(cn1)Br 2230a_100000210263_100000702658 [0,2,0,0,0,0|2,0,0]=4 14173 B13R1.19 CN(CCO)Cc1ccc(cn1)Br 269982a_100000210263_100000702658 [0,2,0,0,0,0|2,0,0]=4 14174 B13R1.19 CN(CCO)Cc1ccc(cn1)Br 270004a_100000210263_100000754260 [0,2,0,0,0,0|2,0,0]=4 14175 B13R1.19 CN(CCO)Cc1ccc(cn1)Cl 2230a_100000210263_100012066911 [0,2,0,0,0,0|2,0,0]=4 14176 B13R1.19 CN(CCO)Cc1ccc(cn1)Cl 269982a_100000210263_100000697101 [0,2,0,0,0,0|2,0,0]=4 14177 B13R1.19 CN(CCO)Cc1ccc(cn1)Cl 270004a_100000210263_100011361569 [0,2,0,0,0,0|2,0,0]=4 14178 B13R1.19 CN(CCO)Cc1ccc(cn1)F 2230a_100000210263_100000703193 [0,2,0,0,0,0|2,0,0]=4 14179 B13R1.19 CN(CCO)Cc1ccc(cn1)F 269982a_100000210263_100000703193 [0,2,0,0,0,0|2,0,0]=4 14180 B13R1.19 CN(CCO)Cc1ccc(cn1)F 270004a_100000210263_100011934744 [0,2,0,0,0,0|2,0,0]=4 14181 B13R1.19 COCC(=O)Cc1ccc(cn1)Br 1458a_100000210968_100000702658 [0,2,0,0,0,0|1,0,1]=4 14182 B13R1.19 COCC(=O)Cc1ccc(cn1)C 1458a_100000210968_100000691093 [0,2,0,0,0,0|1,0,1]=4 14183 B13R1.19 COCC(=O)Cc1ccc(cn1)Cl 1458a_100000210968_100012066911 [0,2,0,0,0,0|1,0,1]=4 14184 B13R1.19 COCC(=O)Cc1ccc(cn1)F 1458a_100000210968_100000703193 [0,2,0,0,0,0|1,0,1]=4 14185 B13R1.19 COCC(C)Oc1ccc(cn1)C 34a_100000759353_100000765312 [0,2,0,0,0,0|2,0,0]=4 14186 B13R1.19 COCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000765312 [0,2,0,0,0,0|2,0,0]=4 14187 B13R1.19 COCC(C)Oc1ccc(cn1)F 34a_100000742473_100000765312 [0,2,0,0,0,0|2,0,0]=4 14188 B13R1.19 COCC(C)Oc1ccc(cn1)N 34a_100000729260_100000765312 [0,2,0,0,0,0|2,0,0]=4 14189 B13R1.19 COCC(C)Sc1ccc(cn1)Br 62a_100000686858_100000765312 [0,2,0,0,0,0|2,0,0]=4 14190 B13R1.19 COCC(C)Sc1ccc(cn1)Br 62a_100000765312_100000686858 [0,2,0,0,0,0|2,0,0]=4 14191 B13R1.19 COCC(C)Sc1ccc(cn1)C 62a_100000765312_100000754016 [0,2,0,0,0,0|2,0,0]=4 14192 B13R1.19 COCC(C)Sc1ccc(cn1)C 62a_100011192072_100000765312 [0,2,0,0,0,0|2,0,0]=4 14193 B13R1.19 COCC(C)Sc1ccc(cn1)Cl 62a_100000765312_100011356976 [0,2,0,0,0,0|2,0,0]=4 14194 B13R1.19 COCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000765312 [0,2,0,0,0,0|2,0,0]=4 14195 B13R1.19 COCC(C)Sc1ccc(cn1)F 62a_100000744514_100000765312 [0,2,0,0,0,0|2,0,0]=4 14196 B13R1.19 COCC(C)Sc1ccc(cn1)F 62a_100000765312_100000744514 [0,2,0,0,0,0|2,0,0]=4 14197 B13R1.19 COCC(C)Sc1ccc(cn1)N 62a_100000737798_100000765312 [0,2,0,0,0,0|2,0,0]=4 14198 B13R1.19 COCC(C)Sc1ccc(cn1)N 62a_100000765312_100000737798 [0,2,0,0,0,0|2,0,0]=4 14199 B13R1.19 COCC(C)Sc1ccc(cn1)O 62a_100000685995_100000765312 [0,2,0,0,0,0|2,0,0]=4 14200 B13R1.19 COCC(C)Sc1ccc(cn1)O 62a_100000765312_100000744096 [0,2,0,0,0,0|2,0,0]=4 14201 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|2,0,0]=4 14202 B13R1.19 COCN(C)Cc1ccc(cn1)C 2230a_200000717808_100000766300 [0,2,0,0,0,0|2,0,0]=4 14203 B13R1.19 COCN(C)Cc1ccc(cn1)C 269982a_200000717808_100000766300 [0,2,0,0,0,0|2,0,0]=4 14204 B13R1.19 COC[C@@H](C)Nc1ccc(cn1)Br 27a_100000764878_100000686858 [0,2,0,0,0,0|2,0,0]=4 14205 B13R1.19 CSCC(=O)Cc1ccc(cn1)Br 1458a_100000184570_100000702658 [0,2,0,0,0,0|1,0,1]=4 14206 B13R1.19 CSCC(=O)Cc1ccc(cn1)C 1458a_100000184570_100000691093 [0,2,0,0,0,0|1,0,1]=4 14207 B13R1.19 CSCC(=O)Cc1ccc(cn1)Cl 1458a_100000184570_100012066911 [0,2,0,0,0,0|1,0,1]=4 14208 B13R1.19 CSCC(=O)Cc1ccc(cn1)F 1458a_100000184570_100000703193 [0,2,0,0,0,0|1,0,1]=4 14209 B13R1.19 CSCN(C)Cc1ccc(cn1)C 2230a_200000717808_100011218213 [0,2,0,0,0,0|2,0,0]=4 14210 B13R1.19 CSCN(C)Cc1ccc(cn1)C 269982a_200000717808_100011218213 [0,2,0,0,0,0|2,0,0]=4 14211 B13R1.19 C[C@H](CCO)Nc1ccc(cn1)Br 27a_100000706166_100000686858 [0,2,0,0,0,0|2,0,0]=4 14212 B13R1.19 Cc1ccc(nc1)CC(=O)CCF 1458a_100025705728_100011217306 [0,2,0,0,0,0|1,0,1]=4 14213 B13R1.19 Cc1ccc(nc1)CC(=O)CCO 1458a_100011216618_100000691093 [0,2,0,0,0,0|1,0,1]=4 14214 B13R1.19 Cc1ccc(nc1)CC(=O)CCO 1458a_100025705728_100000211926 [0,2,0,0,0,0|1,0,1]=4 14215 B13R1.19 Cc1ccc(nc1)CN(C)CCF 2230a_200000717808_100011217306 [0,2,0,0,0,0|2,0,0]=4 14216 B13R1.19 Cc1ccc(nc1)CN(C)CCF 269982a_200000717808_100011217306 [0,2,0,0,0,0|2,0,0]=4 14217 B13R1.19 Cc1ccc(nc1)CN(C)CCO 2230a_100000210263_100000691093 [0,2,0,0,0,0|2,0,0]=4 14218 B13R1.19 Cc1ccc(nc1)CN(C)CCO 2230a_200000717808_100000211926 [0,2,0,0,0,0|2,0,0]=4 14219 B13R1.19 Cc1ccc(nc1)CN(C)CCO 269982a_100000210263_100000691093 [0,2,0,0,0,0|2,0,0]=4 14220 B13R1.19 Cc1ccc(nc1)CN(C)CCO 269982a_200000717808_100000211926 [0,2,0,0,0,0|2,0,0]=4 14221 B13R1.19 Cc1ccc(nc1)CN(C)CCO 270004a_100000210263_100000050478 [0,2,0,0,0,0|2,0,0]=4 14222 B13R1.19 Cc1ccc(nc1)OC(C)CCO 34a_100000759353_100009893172 [0,2,0,0,0,0|2,0,0]=4 14223 B13R1.19 Cc1ccc(nc1)SC(C)CCO 62a_100009893172_100000754016 [0,2,0,0,0,0|2,0,0]=4 14224 B13R1.19 Cc1ccc(nc1)SC(C)CCO 62a_100011192072_100009893172 [0,2,0,0,0,0|2,0,0]=4 14225 B13R1.19 O=C(CCF)Cc1ccc(cn1)Br 1458a_100020629044_100011217306 [0,2,0,0,0,0|1,0,1]=4 14226 B13R1.19 O=C(CCF)Cc1ccc(cn1)Cl 1458a_100000728320_100011217306 [0,2,0,0,0,0|1,0,1]=4 14227 B13R1.19 O=C(CCO)Cc1ccc(cn1)Br 1458a_100011216618_100000702658 [0,2,0,0,0,0|1,0,1]=4 14228 B13R1.19 O=C(CCO)Cc1ccc(cn1)Br 1458a_100020629044_100000211926 [0,2,0,0,0,0|1,0,1]=4 14229 B13R1.19 O=C(CCO)Cc1ccc(cn1)Cl 1458a_100000728320_100000211926 [0,2,0,0,0,0|1,0,1]=4 14230 B13R1.19 O=C(CCO)Cc1ccc(cn1)Cl 1458a_100011216618_100012066911 [0,2,0,0,0,0|1,0,1]=4 14231 B13R1.19 O=C(CCO)Cc1ccc(cn1)F 1458a_100011216618_100000703193 [0,2,0,0,0,0|1,0,1]=4 14232 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|2,0,0]=4 14233 B13R1.369 CCCC=Cc1ncc(cc1Br)Cl 271570a_100016258520_100012154958 [0,2,0,0,0,0|0,0,2]=4 14234 B13R1.369 CCCC=Cc1ncc(cc1C)Br 271570a_100016258520_100012353652 [0,2,0,0,0,0|0,0,2]=4 14235 B13R1.369 CCCC=Cc1ncc(cc1C)C 271570a_100016258520_100009864548 [0,2,0,0,0,0|0,0,2]=4 14236 B13R1.369 CCCC=Cc1ncc(cc1C)F 271570a_100016258520_100009817009 [0,2,0,0,0,0|0,0,2]=4 14237 B13R1.369 CCCC=Cc1ncc(cc1C)N 271570a_100016258520_100000761747 [0,2,0,0,0,0|0,0,2]=4 14238 B13R1.369 CCCC=Cc1ncc(cc1C)O 271570a_100016258520_100012000486 [0,2,0,0,0,0|0,0,2]=4 14239 B13R1.369 CCCC=Cc1ncc(cc1F)Br 271570a_100016258520_100012348576 [0,2,0,0,0,0|0,0,2]=4 14240 B13R1.369 CCCC=Cc1ncc(cc1F)C 271570a_100016258520_100009819633 [0,2,0,0,0,0|0,0,2]=4 14241 B13R1.369 CCCC=Cc1ncc(cc1F)Cl 271570a_100016258520_100012348686 [0,2,0,0,0,0|0,0,2]=4 14242 B13R1.369 CCCC=Cc1ncc(cc1F)F 271570a_100016258520_100011219543 [0,2,0,0,0,0|0,0,2]=4 14243 B13R1.369 CCCC=Cc1ncc(cc1F)N 271570a_100016258520_100010280766 [0,2,0,0,0,0|0,0,2]=4 14244 B13R1.369 CCCC=Cc1ncc(cc1F)O 271570a_100016258520_100000063512 [0,2,0,0,0,0|0,0,2]=4 14245 B13R1.369 CCCC=Cc1ncc(cc1N)Br 271570a_100016258520_100010090555 [0,2,0,0,0,0|0,0,2]=4 14246 B13R1.369 CCCC=Cc1ncc(cc1N)C 271570a_100016258520_100000733613 [0,2,0,0,0,0|0,0,2]=4 14247 B13R1.369 CCCC=Cc1ncc(cc1N)F 271570a_100016258520_100009817643 [0,2,0,0,0,0|0,0,2]=4 14248 B13R1.369 CCCC=Cc1ncc(cc1N)N 271570a_100016258520_200000093520 [0,2,0,0,0,0|0,0,2]=4 14249 B13R1.369 CCCC=Cc1ncc(cc1O)Br 271570a_100016258520_100010210634 [0,2,0,0,0,0|0,0,2]=4 14250 B13R1.369 CCCC=Cc1ncc(cc1O)C 271570a_100016258520_100012000487 [0,2,0,0,0,0|0,0,2]=4 14251 B13R1.369 CCCC=Cc1ncc(cc1O)Cl 271570a_100016258520_100010233512 [0,2,0,0,0,0|0,0,2]=4 14252 B13R1.369 CCCC=Cc1ncc(cc1O)F 271570a_100016258520_100000079967 [0,2,0,0,0,0|0,0,2]=4 14253 B13R1.369 CCCCNc1ccc(cc1Br)Br 34a_100000211012_100000210210 [0,2,0,0,0,0|2,0,0]=4 14254 B13R1.369 CCCCNc1ccc(cc1Br)C 34a_100000210942_100000210210 [0,2,0,0,0,0|2,0,0]=4 14255 B13R1.369 CCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210210 [0,2,0,0,0,0|2,0,0]=4 14256 B13R1.369 CCCCNc1ccc(cc1Br)F 34a_100000738039_100000210210 [0,2,0,0,0,0|2,0,0]=4 14257 B13R1.369 CCCCNc1ccc(cc1Br)O 34a_100012001276_100000210210 [0,2,0,0,0,0|2,0,0]=4 14258 B13R1.369 CCCCNc1ccc(cc1C)Br 34a_100000211769_100000210210 [0,2,0,0,0,0|2,0,0]=4 14259 B13R1.369 CCCCNc1ccc(cc1C)Br 7a_100000211769_100000210211 [0,2,0,0,0,0|2,0,0]=4 14260 B13R1.369 CCCCNc1ccc(cc1C)C 34a_100000736561_100000210210 [0,2,0,0,0,0|2,0,0]=4 14261 B13R1.369 CCCCNc1ccc(cc1C)C 7a_100000736561_100000210211 [0,2,0,0,0,0|2,0,0]=4 14262 B13R1.369 CCCCNc1ccc(cc1C)Cl 34a_100000210418_100000210210 [0,2,0,0,0,0|2,0,0]=4 14263 B13R1.369 CCCCNc1ccc(cc1C)Cl 7a_100000210418_100000210211 [0,2,0,0,0,0|2,0,0]=4 14264 B13R1.369 CCCCNc1ccc(cc1C)F 34a_100000211637_100000210210 [0,2,0,0,0,0|2,0,0]=4 14265 B13R1.369 CCCCNc1ccc(cc1C)F 7a_100000211637_100000210211 [0,2,0,0,0,0|2,0,0]=4 14266 B13R1.369 CCCCNc1ccc(cc1C)I 34a_100000184554_100000210210 [0,2,0,0,0,0|2,0,0]=4 14267 B13R1.369 CCCCNc1ccc(cc1C)I 7a_100000184554_100000210211 [0,2,0,0,0,0|2,0,0]=4 14268 B13R1.369 CCCCNc1ccc(cc1C)O 34a_100000756630_100000210210 [0,2,0,0,0,0|2,0,0]=4 14269 B13R1.369 CCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000210210 [0,2,0,0,0,0|2,0,0]=4 14270 B13R1.369 CCCCNc1ccc(cc1Cl)C 34a_100000210522_100000210210 [0,2,0,0,0,0|2,0,0]=4 14271 B13R1.369 CCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210210 [0,2,0,0,0,0|2,0,0]=4 14272 B13R1.369 CCCCNc1ccc(cc1Cl)F 34a_100000212003_100000210210 [0,2,0,0,0,0|2,0,0]=4 14273 B13R1.369 CCCCNc1ccc(cc1Cl)I 34a_100011218065_100000210210 [0,2,0,0,0,0|2,0,0]=4 14274 B13R1.369 CCCCNc1ccc(cc1Cl)O 34a_100011215599_100000210210 [0,2,0,0,0,0|2,0,0]=4 14275 B13R1.369 CCCCNc1ccc(cc1F)Br 34a_100000210722_100000210210 [0,2,0,0,0,0|2,0,0]=4 14276 B13R1.369 CCCCNc1ccc(cc1F)C 34a_100000211023_100000210210 [0,2,0,0,0,0|2,0,0]=4 14277 B13R1.369 CCCCNc1ccc(cc1F)Cl 34a_100000211020_100000210210 [0,2,0,0,0,0|2,0,0]=4 14278 B13R1.369 CCCCNc1ccc(cc1F)F 34a_100000210720_100000210210 [0,2,0,0,0,0|2,0,0]=4 14279 B13R1.369 CCCCNc1ccc(cc1F)I 34a_100011215594_100000210210 [0,2,0,0,0,0|2,0,0]=4 14280 B13R1.369 CCCCNc1ccc(cc1F)O 34a_100000759473_100000210210 [0,2,0,0,0,0|2,0,0]=4 14281 B13R1.369 CCCCNc1ccc(cc1I)Br 34a_100000187925_100000210210 [0,2,0,0,0,0|2,0,0]=4 14282 B13R1.369 CCCCNc1ccc(cc1I)C 34a_100011356834_100000210210 [0,2,0,0,0,0|2,0,0]=4 14283 B13R1.369 CCCCNc1ccc(cc1I)Cl 34a_100000761889_100000210210 [0,2,0,0,0,0|2,0,0]=4 14284 B13R1.369 CCCCNc1ccc(cc1I)F 34a_100000760547_100000210210 [0,2,0,0,0,0|2,0,0]=4 14285 B13R1.369 CCCCNc1ccc(cc1I)O 34a_100010084370_100000210210 [0,2,0,0,0,0|2,0,0]=4 14286 B13R1.369 CCCCNc1ccc(cc1O)Br 34a_100000739049_100000210210 [0,2,0,0,0,0|2,0,0]=4 14287 B13R1.369 CCCCNc1ccc(cc1O)C 34a_100000211527_100000210210 [0,2,0,0,0,0|2,0,0]=4 14288 B13R1.369 CCCCNc1ccc(cc1O)Cl 34a_100000185728_100000210210 [0,2,0,0,0,0|2,0,0]=4 14289 B13R1.369 CCCCNc1ccc(cc1O)F 34a_100000753323_100000210210 [0,2,0,0,0,0|2,0,0]=4 14290 B13R1.369 CCCCNc1ccc(cc1O)O 34a_100000106777_100000210210 [0,2,0,0,0,0|2,0,0]=4 14291 B13R1.369 CCCCOc1ccc(cc1Br)Br 34a_100000188717_100000210210 [0,2,0,0,0,0|2,0,0]=4 14292 B13R1.369 CCCCOc1ccc(cc1Br)Br 7a_100000188717_100000210211 [0,2,0,0,0,0|2,0,0]=4 14293 B13R1.369 CCCCOc1ccc(cc1Br)C 34a_100000210800_100000210210 [0,2,0,0,0,0|2,0,0]=4 14294 B13R1.369 CCCCOc1ccc(cc1Br)C 7a_100000210800_100000210211 [0,2,0,0,0,0|2,0,0]=4 14295 B13R1.369 CCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210210 [0,2,0,0,0,0|2,0,0]=4 14296 B13R1.369 CCCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210211 [0,2,0,0,0,0|2,0,0]=4 14297 B13R1.369 CCCCOc1ccc(cc1Br)F 34a_100000211999_100000210210 [0,2,0,0,0,0|2,0,0]=4 14298 B13R1.369 CCCCOc1ccc(cc1Br)F 7a_100000211999_100000210211 [0,2,0,0,0,0|2,0,0]=4 14299 B13R1.369 CCCCOc1ccc(cc1Br)I 34a_100012361655_100000210210 [0,2,0,0,0,0|2,0,0]=4 14300 B13R1.369 CCCCOc1ccc(cc1Br)I 7a_100012361655_100000210211 [0,2,0,0,0,0|2,0,0]=4 14301 B13R1.369 CCCCOc1ccc(cc1Br)N 34a_100011534360_100000210210 [0,2,0,0,0,0|2,0,0]=4 14302 B13R1.369 CCCCOc1ccc(cc1Br)N 7a_100011534360_100000210211 [0,2,0,0,0,0|2,0,0]=4 14303 B13R1.369 CCCCOc1ccc(cc1C)Br 34a_100000186361_100000210210 [0,2,0,0,0,0|2,0,0]=4 14304 B13R1.369 CCCCOc1ccc(cc1C)Br 7a_100000186361_100000210211 [0,2,0,0,0,0|2,0,0]=4 14305 B13R1.369 CCCCOc1ccc(cc1C)C 34a_100000211776_100000210210 [0,2,0,0,0,0|2,0,0]=4 14306 B13R1.369 CCCCOc1ccc(cc1C)C 7a_100000211776_100000210211 [0,2,0,0,0,0|2,0,0]=4 14307 B13R1.369 CCCCOc1ccc(cc1C)Cl 34a_100000211091_100000210210 [0,2,0,0,0,0|2,0,0]=4 14308 B13R1.369 CCCCOc1ccc(cc1C)Cl 7a_100000211091_100000210211 [0,2,0,0,0,0|2,0,0]=4 14309 B13R1.369 CCCCOc1ccc(cc1C)F 34a_100000764316_100000210210 [0,2,0,0,0,0|2,0,0]=4 14310 B13R1.369 CCCCOc1ccc(cc1C)F 7a_100000764316_100000210211 [0,2,0,0,0,0|2,0,0]=4 14311 B13R1.369 CCCCOc1ccc(cc1C)I 34a_100011218673_100000210210 [0,2,0,0,0,0|2,0,0]=4 14312 B13R1.369 CCCCOc1ccc(cc1C)I 7a_100011218673_100000210211 [0,2,0,0,0,0|2,0,0]=4 14313 B13R1.369 CCCCOc1ccc(cc1C)N 34a_100011218179_100000210210 [0,2,0,0,0,0|2,0,0]=4 14314 B13R1.369 CCCCOc1ccc(cc1C)N 7a_100011218179_100000210211 [0,2,0,0,0,0|2,0,0]=4 14315 B13R1.369 CCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210210 [0,2,0,0,0,0|2,0,0]=4 14316 B13R1.369 CCCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210211 [0,2,0,0,0,0|2,0,0]=4 14317 B13R1.369 CCCCOc1ccc(cc1Cl)C 34a_100000749699_100000210210 [0,2,0,0,0,0|2,0,0]=4 14318 B13R1.369 CCCCOc1ccc(cc1Cl)C 7a_100000749699_100000210211 [0,2,0,0,0,0|2,0,0]=4 14319 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210210 [0,2,0,0,0,0|2,0,0]=4 14320 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210211 [0,2,0,0,0,0|2,0,0]=4 14321 B13R1.369 CCCCOc1ccc(cc1Cl)F 34a_100000212004_100000210210 [0,2,0,0,0,0|2,0,0]=4 14322 B13R1.369 CCCCOc1ccc(cc1Cl)F 7a_100000212004_100000210211 [0,2,0,0,0,0|2,0,0]=4 14323 B13R1.369 CCCCOc1ccc(cc1Cl)I 34a_100012360047_100000210210 [0,2,0,0,0,0|2,0,0]=4 14324 B13R1.369 CCCCOc1ccc(cc1Cl)I 7a_100012360047_100000210211 [0,2,0,0,0,0|2,0,0]=4 14325 B13R1.369 CCCCOc1ccc(cc1Cl)N 34a_100000744943_100000210210 [0,2,0,0,0,0|2,0,0]=4 14326 B13R1.369 CCCCOc1ccc(cc1Cl)N 7a_100000744943_100000210211 [0,2,0,0,0,0|2,0,0]=4 14327 B13R1.369 CCCCOc1ccc(cc1F)Br 34a_100000185481_100000210210 [0,2,0,0,0,0|2,0,0]=4 14328 B13R1.369 CCCCOc1ccc(cc1F)Br 7a_100000185481_100000210211 [0,2,0,0,0,0|2,0,0]=4 14329 B13R1.369 CCCCOc1ccc(cc1F)C 34a_100011216688_100000210210 [0,2,0,0,0,0|2,0,0]=4 14330 B13R1.369 CCCCOc1ccc(cc1F)C 7a_100011216688_100000210211 [0,2,0,0,0,0|2,0,0]=4 14331 B13R1.369 CCCCOc1ccc(cc1F)Cl 34a_100000230166_100000210210 [0,2,0,0,0,0|2,0,0]=4 14332 B13R1.369 CCCCOc1ccc(cc1F)Cl 7a_100000230166_100000210211 [0,2,0,0,0,0|2,0,0]=4 14333 B13R1.369 CCCCOc1ccc(cc1F)F 34a_100000230127_100000210210 [0,2,0,0,0,0|2,0,0]=4 14334 B13R1.369 CCCCOc1ccc(cc1F)F 7a_100000230127_100000210211 [0,2,0,0,0,0|2,0,0]=4 14335 B13R1.369 CCCCOc1ccc(cc1F)I 34a_100011356965_100000210210 [0,2,0,0,0,0|2,0,0]=4 14336 B13R1.369 CCCCOc1ccc(cc1F)I 7a_100011356965_100000210211 [0,2,0,0,0,0|2,0,0]=4 14337 B13R1.369 CCCCOc1ccc(cc1F)N 34a_100011220035_100000210210 [0,2,0,0,0,0|2,0,0]=4 14338 B13R1.369 CCCCOc1ccc(cc1F)N 7a_100011220035_100000210211 [0,2,0,0,0,0|2,0,0]=4 14339 B13R1.369 CCCCOc1ccc(cc1I)Br 34a_100012355227_100000210210 [0,2,0,0,0,0|2,0,0]=4 14340 B13R1.369 CCCCOc1ccc(cc1I)Br 7a_100012355227_100000210211 [0,2,0,0,0,0|2,0,0]=4 14341 B13R1.369 CCCCOc1ccc(cc1I)C 34a_100000765521_100000210210 [0,2,0,0,0,0|2,0,0]=4 14342 B13R1.369 CCCCOc1ccc(cc1I)C 7a_100000765521_100000210211 [0,2,0,0,0,0|2,0,0]=4 14343 B13R1.369 CCCCOc1ccc(cc1I)Cl 34a_100011356953_100000210210 [0,2,0,0,0,0|2,0,0]=4 14344 B13R1.369 CCCCOc1ccc(cc1I)Cl 7a_100011356953_100000210211 [0,2,0,0,0,0|2,0,0]=4 14345 B13R1.369 CCCCOc1ccc(cc1I)F 34a_100012355409_100000210210 [0,2,0,0,0,0|2,0,0]=4 14346 B13R1.369 CCCCOc1ccc(cc1I)F 7a_100012355409_100000210211 [0,2,0,0,0,0|2,0,0]=4 14347 B13R1.369 CCCCOc1ccc(cc1I)I 7a_100010001573_100000210211 [0,2,0,0,0,0|2,0,0]=4 14348 B13R1.369 CCCCOc1ccc(cc1N)Br 34a_100000752626_100000210210 [0,2,0,0,0,0|2,0,0]=4 14349 B13R1.369 CCCCOc1ccc(cc1N)Br 7a_100000752626_100000210211 [0,2,0,0,0,0|2,0,0]=4 14350 B13R1.369 CCCCOc1ccc(cc1N)C 34a_100011215204_100000210210 [0,2,0,0,0,0|2,0,0]=4 14351 B13R1.369 CCCCOc1ccc(cc1N)C 7a_100011215204_100000210211 [0,2,0,0,0,0|2,0,0]=4 14352 B13R1.369 CCCCOc1ccc(cc1N)Cl 34a_100000210500_100000210210 [0,2,0,0,0,0|2,0,0]=4 14353 B13R1.369 CCCCOc1ccc(cc1N)Cl 7a_100000210500_100000210211 [0,2,0,0,0,0|2,0,0]=4 14354 B13R1.369 CCCCOc1ccc(cc1N)F 34a_100000759472_100000210210 [0,2,0,0,0,0|2,0,0]=4 14355 B13R1.369 CCCCOc1ccc(cc1N)F 7a_100000759472_100000210211 [0,2,0,0,0,0|2,0,0]=4 14356 B13R1.369 CCCCOc1ccc(cc1N)I 34a_100000753495_100000210210 [0,2,0,0,0,0|2,0,0]=4 14357 B13R1.369 CCCCOc1ccc(cc1N)I 7a_100000753495_100000210211 [0,2,0,0,0,0|2,0,0]=4 14358 B13R1.369 CCCCOc1ccc(cc1N)N 34a_100000725306_100000210210 [0,2,0,0,0,0|2,0,0]=4 14359 B13R1.369 CCCCOc1ccc(cc1O)F 271570a_203496583355_200000205391 [0,2,0,0,0,0|2,0,0]=4 14360 B13R1.369 CCCCOc1ncc(cc1Br)Br 34a_100000701035_100000210210 [0,2,0,0,0,0|1,0,0]=3 14361 B13R1.369 CCCCOc1ncc(cc1Br)C 34a_100000719714_100000210210 [0,2,0,0,0,0|1,0,0]=3 14362 B13R1.369 CCCCOc1ncc(cc1C)Br 34a_100000685391_100000210210 [0,2,0,0,0,0|1,0,0]=3 14363 B13R1.369 CCCCOc1ncc(cc1C)O 271570a_203496583355_200012348857 [0,2,0,0,0,0|1,0,0]=3 14364 B13R1.369 CCCCOc1ncc(cc1Cl)Br 34a_100012339560_100000210210 [0,2,0,0,0,0|1,0,0]=3 14365 B13R1.369 CCCCOc1ncc(cc1Cl)F 34a_100009847679_100000210210 [0,2,0,0,0,0|1,0,0]=3 14366 B13R1.369 CCCCOc1ncc(cc1F)Cl 34a_100011998252_100000210210 [0,2,0,0,0,0|1,0,0]=3 14367 B13R1.369 CCCCOc1ncc(cc1F)F 34a_100012025737_100000210210 [0,2,0,0,0,0|1,0,0]=3 14368 B13R1.369 CCCCOc1ncc(cc1N)Br 34a_100000743729_100000210210 [0,2,0,0,0,0|1,0,0]=3 14369 B13R1.369 CCCCOc1ncc(cc1N)C 34a_100012000488_100000210210 [0,2,0,0,0,0|1,0,0]=3 14370 B13R1.369 CCCCOc1ncc(cc1N)Cl 34a_100011998249_100000210210 [0,2,0,0,0,0|1,0,0]=3 14371 B13R1.369 CCCCOc1ncc(nc1Cl)Br 34a_100010734560_100000210210 [0,2,0,0,0,0|2,0,0]=4 14372 B13R1.369 CCCCSc1ccc(c[n+]1[O-])C 62a_100000210211_100009819918 [0,2,0,0,0,0|1,0,1]=4 14373 B13R1.369 CCCCSc1ccc(c[n+]1[O-])F 62a_100000210211_100009817261 [0,2,0,0,0,0|1,0,1]=4 14374 B13R1.369 CCCCSc1ccc(c[n+]1[O-])F 62a_100009817261_100000210210 [0,2,0,0,0,0|1,0,1]=4 14375 B13R1.369 CCCCSc1ccc(cc1Br)Br 62a_100000210211_100011484698 [0,2,0,0,0,0|2,0,0]=4 14376 B13R1.369 CCCCSc1ccc(cc1Br)Br 62a_100011484698_100000210210 [0,2,0,0,0,0|2,0,0]=4 14377 B13R1.369 CCCCSc1ccc(cc1Br)C 62a_100000210211_100009813563 [0,2,0,0,0,0|2,0,0]=4 14378 B13R1.369 CCCCSc1ccc(cc1Br)C 62a_100009813563_100000210210 [0,2,0,0,0,0|2,0,0]=4 14379 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100000210211_100011219703 [0,2,0,0,0,0|2,0,0]=4 14380 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210210 [0,2,0,0,0,0|2,0,0]=4 14381 B13R1.369 CCCCSc1ccc(cc1Br)F 62a_100000210211_100011217111 [0,2,0,0,0,0|2,0,0]=4 14382 B13R1.369 CCCCSc1ccc(cc1Br)F 62a_100011217111_100000210210 [0,2,0,0,0,0|2,0,0]=4 14383 B13R1.369 CCCCSc1ccc(cc1Br)N 62a_100000210211_100000750458 [0,2,0,0,0,0|2,0,0]=4 14384 B13R1.369 CCCCSc1ccc(cc1Br)N 62a_100000750458_100000210210 [0,2,0,0,0,0|2,0,0]=4 14385 B13R1.369 CCCCSc1ccc(cc1Br)O 62a_100000210211_100000701344 [0,2,0,0,0,0|2,0,0]=4 14386 B13R1.369 CCCCSc1ccc(cc1Br)O 62a_100000701344_100000210210 [0,2,0,0,0,0|2,0,0]=4 14387 B13R1.369 CCCCSc1ccc(cc1C)Br 62a_100000210211_100000701812 [0,2,0,0,0,0|2,0,0]=4 14388 B13R1.369 CCCCSc1ccc(cc1C)Br 62a_100000701812_100000210210 [0,2,0,0,0,0|2,0,0]=4 14389 B13R1.369 CCCCSc1ccc(cc1C)C 62a_100000210211_100011217332 [0,2,0,0,0,0|2,0,0]=4 14390 B13R1.369 CCCCSc1ccc(cc1C)C 62a_100011217332_100000210210 [0,2,0,0,0,0|2,0,0]=4 14391 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100000210211_100011219607 [0,2,0,0,0,0|2,0,0]=4 14392 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100011219607_100000210210 [0,2,0,0,0,0|2,0,0]=4 14393 B13R1.369 CCCCSc1ccc(cc1C)F 62a_100000210211_100011205405 [0,2,0,0,0,0|2,0,0]=4 14394 B13R1.369 CCCCSc1ccc(cc1C)F 62a_100011205405_100000210210 [0,2,0,0,0,0|2,0,0]=4 14395 B13R1.369 CCCCSc1ccc(cc1C)N 62a_100000210211_100000210723 [0,2,0,0,0,0|2,0,0]=4 14396 B13R1.369 CCCCSc1ccc(cc1C)N 62a_100000210723_100000210210 [0,2,0,0,0,0|2,0,0]=4 14397 B13R1.369 CCCCSc1ccc(cc1C)O 62a_100000210211_100000690111 [0,2,0,0,0,0|2,0,0]=4 14398 B13R1.369 CCCCSc1ccc(cc1Cl)Br 62a_100000210211_100011216062 [0,2,0,0,0,0|2,0,0]=4 14399 B13R1.369 CCCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210210 [0,2,0,0,0,0|2,0,0]=4 14400 B13R1.369 CCCCSc1ccc(cc1Cl)C 62a_100000210211_100011263221 [0,2,0,0,0,0|2,0,0]=4 14401 B13R1.369 CCCCSc1ccc(cc1Cl)C 62a_100011263221_100000210210 [0,2,0,0,0,0|2,0,0]=4 14402 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000210211_100000699841 [0,2,0,0,0,0|2,0,0]=4 14403 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210210 [0,2,0,0,0,0|2,0,0]=4 14404 B13R1.369 CCCCSc1ccc(cc1Cl)F 62a_100000210211_100000733362 [0,2,0,0,0,0|2,0,0]=4 14405 B13R1.369 CCCCSc1ccc(cc1Cl)F 62a_100000733362_100000210210 [0,2,0,0,0,0|2,0,0]=4 14406 B13R1.369 CCCCSc1ccc(cc1Cl)N 62a_100000210211_100000761885 [0,2,0,0,0,0|2,0,0]=4 14407 B13R1.369 CCCCSc1ccc(cc1Cl)N 62a_100000761885_100000210210 [0,2,0,0,0,0|2,0,0]=4 14408 B13R1.369 CCCCSc1ccc(cc1Cl)O 62a_100000047559_100000210210 [0,2,0,0,0,0|2,0,0]=4 14409 B13R1.369 CCCCSc1ccc(cc1Cl)O 62a_100000210211_100000047559 [0,2,0,0,0,0|2,0,0]=4 14410 B13R1.369 CCCCSc1ccc(cc1F)Br 62a_100000210211_100009814013 [0,2,0,0,0,0|2,0,0]=4 14411 B13R1.369 CCCCSc1ccc(cc1F)Br 62a_100009814013_100000210210 [0,2,0,0,0,0|2,0,0]=4 14412 B13R1.369 CCCCSc1ccc(cc1F)C 62a_100000210211_100011216119 [0,2,0,0,0,0|2,0,0]=4 14413 B13R1.369 CCCCSc1ccc(cc1F)C 62a_100011216119_100000210210 [0,2,0,0,0,0|2,0,0]=4 14414 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100000210211_100011216042 [0,2,0,0,0,0|2,0,0]=4 14415 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100011216042_100000210210 [0,2,0,0,0,0|2,0,0]=4 14416 B13R1.369 CCCCSc1ccc(cc1F)F 62a_100000210211_100000750030 [0,2,0,0,0,0|2,0,0]=4 14417 B13R1.369 CCCCSc1ccc(cc1F)F 62a_100000750030_100000210210 [0,2,0,0,0,0|2,0,0]=4 14418 B13R1.369 CCCCSc1ccc(cc1F)N 62a_100000210211_100011356925 [0,2,0,0,0,0|2,0,0]=4 14419 B13R1.369 CCCCSc1ccc(cc1F)N 62a_100011356925_100000210210 [0,2,0,0,0,0|2,0,0]=4 14420 B13R1.369 CCCCSc1ccc(cc1F)O 62a_100000210211_100000755031 [0,2,0,0,0,0|2,0,0]=4 14421 B13R1.369 CCCCSc1ccc(cc1F)O 62a_100000755031_100000210210 [0,2,0,0,0,0|2,0,0]=4 14422 B13R1.369 CCCCSc1ccc(cc1N)Br 62a_100000210211_100000743836 [0,2,0,0,0,0|2,0,0]=4 14423 B13R1.369 CCCCSc1ccc(cc1N)Br 62a_100000743836_100000210210 [0,2,0,0,0,0|2,0,0]=4 14424 B13R1.369 CCCCSc1ccc(cc1N)C 62a_100000210211_100011216686 [0,2,0,0,0,0|2,0,0]=4 14425 B13R1.369 CCCCSc1ccc(cc1N)C 62a_100011216686_100000210210 [0,2,0,0,0,0|2,0,0]=4 14426 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000210211_100000761886 [0,2,0,0,0,0|2,0,0]=4 14427 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000761886_100000210210 [0,2,0,0,0,0|2,0,0]=4 14428 B13R1.369 CCCCSc1ccc(cc1N)F 62a_100000210211_100000687223 [0,2,0,0,0,0|2,0,0]=4 14429 B13R1.369 CCCCSc1ccc(cc1N)F 62a_100000687223_100000210210 [0,2,0,0,0,0|2,0,0]=4 14430 B13R1.369 CCCCSc1ccc(cc1N)N 62a_100000210211_200012175722 [0,2,0,0,0,0|2,0,0]=4 14431 B13R1.369 CCCCSc1ccc(cc1N)N 62a_200012175722_100000210210 [0,2,0,0,0,0|2,0,0]=4 14432 B13R1.369 CCCCSc1ccc(cc1N)O 62a_100000210211_100011999798 [0,2,0,0,0,0|2,0,0]=4 14433 B13R1.369 CCCCSc1ccc(cc1N)O 62a_100011999798_100000210210 [0,2,0,0,0,0|2,0,0]=4 14434 B13R1.369 CCCCSc1ccc(cc1O)Br 62a_100000210211_100012344904 [0,2,0,0,0,0|2,0,0]=4 14435 B13R1.369 CCCCSc1ccc(cc1O)Br 62a_100012344904_100000210210 [0,2,0,0,0,0|2,0,0]=4 14436 B13R1.369 CCCCSc1ccc(cc1O)C 62a_100000210211_100012002257 [0,2,0,0,0,0|2,0,0]=4 14437 B13R1.369 CCCCSc1ccc(cc1O)C 62a_100012002257_100000210210 [0,2,0,0,0,0|2,0,0]=4 14438 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000050036_100000210210 [0,2,0,0,0,0|2,0,0]=4 14439 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000210211_100000050036 [0,2,0,0,0,0|2,0,0]=4 14440 B13R1.369 CCCCSc1ccc(cc1O)F 62a_100000210211_100000690578 [0,2,0,0,0,0|2,0,0]=4 14441 B13R1.369 CCCCSc1ccc(cc1O)F 62a_100000690578_100000210210 [0,2,0,0,0,0|2,0,0]=4 14442 B13R1.369 CCCCSc1ccc(cc1O)O 62a_100000210211_100009813921 [0,2,0,0,0,0|2,0,0]=4 14443 B13R1.369 CCCCSc1n[nH]c(=O)cc1C 62a_100000210211_100000081757 [0,2,0,0,0,0|2,0,0]=4 14444 B13R1.369 CCCCSc1ncc(cc1Br)Cl 62a_100000210211_100012154958 [0,2,0,0,0,0|1,0,0]=3 14445 B13R1.369 CCCCSc1ncc(cc1Br)Cl 62a_100012154958_100000210210 [0,2,0,0,0,0|1,0,0]=3 14446 B13R1.369 CCCCSc1ncc(cc1C)Br 62a_100000210211_100012353652 [0,2,0,0,0,0|1,0,0]=3 14447 B13R1.369 CCCCSc1ncc(cc1C)Br 62a_100012353652_100000210210 [0,2,0,0,0,0|1,0,0]=3 14448 B13R1.369 CCCCSc1ncc(cc1C)C 62a_100000210211_100009864548 [0,2,0,0,0,0|1,0,0]=3 14449 B13R1.369 CCCCSc1ncc(cc1C)C 62a_100009864548_100000210210 [0,2,0,0,0,0|1,0,0]=3 14450 B13R1.369 CCCCSc1ncc(cc1C)F 62a_100000210211_100009817009 [0,2,0,0,0,0|1,0,0]=3 14451 B13R1.369 CCCCSc1ncc(cc1C)F 62a_100009817009_100000210210 [0,2,0,0,0,0|1,0,0]=3 14452 B13R1.369 CCCCSc1ncc(cc1C)N 62a_100000210211_100000761747 [0,2,0,0,0,0|1,0,0]=3 14453 B13R1.369 CCCCSc1ncc(cc1C)N 62a_100000761747_100000210210 [0,2,0,0,0,0|1,0,0]=3 14454 B13R1.369 CCCCSc1ncc(cc1C)O 62a_100000210211_100012000486 [0,2,0,0,0,0|1,0,0]=3 14455 B13R1.369 CCCCSc1ncc(cc1C)O 62a_100012000486_100000210210 [0,2,0,0,0,0|1,0,0]=3 14456 B13R1.369 CCCCSc1ncc(cc1F)Br 62a_100000210211_100012348576 [0,2,0,0,0,0|1,0,0]=3 14457 B13R1.369 CCCCSc1ncc(cc1F)Br 62a_100012348576_100000210210 [0,2,0,0,0,0|1,0,0]=3 14458 B13R1.369 CCCCSc1ncc(cc1F)C 62a_100000210211_100009819633 [0,2,0,0,0,0|1,0,0]=3 14459 B13R1.369 CCCCSc1ncc(cc1F)C 62a_100009819633_100000210210 [0,2,0,0,0,0|1,0,0]=3 14460 B13R1.369 CCCCSc1ncc(cc1F)Cl 62a_100000210211_100012348686 [0,2,0,0,0,0|1,0,0]=3 14461 B13R1.369 CCCCSc1ncc(cc1F)Cl 62a_100012348686_100000210210 [0,2,0,0,0,0|1,0,0]=3 14462 B13R1.369 CCCCSc1ncc(cc1F)F 62a_100000210211_100011219543 [0,2,0,0,0,0|1,0,0]=3 14463 B13R1.369 CCCCSc1ncc(cc1F)F 62a_100011219543_100000210210 [0,2,0,0,0,0|1,0,0]=3 14464 B13R1.369 CCCCSc1ncc(cc1F)N 62a_100000210211_100010280766 [0,2,0,0,0,0|1,0,0]=3 14465 B13R1.369 CCCCSc1ncc(cc1F)N 62a_100010280766_100000210210 [0,2,0,0,0,0|1,0,0]=3 14466 B13R1.369 CCCCSc1ncc(cc1F)O 62a_100000210211_100000063512 [0,2,0,0,0,0|1,0,0]=3 14467 B13R1.369 CCCCSc1ncc(cc1N)Br 62a_100000210211_100010090555 [0,2,0,0,0,0|1,0,0]=3 14468 B13R1.369 CCCCSc1ncc(cc1N)Br 62a_100010090555_100000210210 [0,2,0,0,0,0|1,0,0]=3 14469 B13R1.369 CCCCSc1ncc(cc1N)C 62a_100000210211_100000733613 [0,2,0,0,0,0|1,0,0]=3 14470 B13R1.369 CCCCSc1ncc(cc1N)C 62a_100000733613_100000210210 [0,2,0,0,0,0|1,0,0]=3 14471 B13R1.369 CCCCSc1ncc(cc1N)F 62a_100000210211_100009817643 [0,2,0,0,0,0|1,0,0]=3 14472 B13R1.369 CCCCSc1ncc(cc1N)F 62a_100009817643_100000210210 [0,2,0,0,0,0|1,0,0]=3 14473 B13R1.369 CCCCSc1ncc(cc1N)N 62a_100000210211_200000093520 [0,2,0,0,0,0|1,0,0]=3 14474 B13R1.369 CCCCSc1ncc(cc1N)N 62a_200000093520_100000210210 [0,2,0,0,0,0|1,0,0]=3 14475 B13R1.369 CCCCSc1ncc(cc1O)Br 62a_100000210211_100010210634 [0,2,0,0,0,0|1,0,0]=3 14476 B13R1.369 CCCCSc1ncc(cc1O)Br 62a_100010210634_100000210210 [0,2,0,0,0,0|1,0,0]=3 14477 B13R1.369 CCCCSc1ncc(cc1O)C 62a_100000210211_100012000487 [0,2,0,0,0,0|1,0,0]=3 14478 B13R1.369 CCCCSc1ncc(cc1O)Cl 62a_100000210211_100010233512 [0,2,0,0,0,0|1,0,0]=3 14479 B13R1.369 CCCCSc1ncc(cc1O)Cl 62a_100010233512_100000210210 [0,2,0,0,0,0|1,0,0]=3 14480 B13R1.369 CCCCSc1ncc(cc1O)F 62a_100000210211_100000079967 [0,2,0,0,0,0|1,0,0]=3 14481 B13R1.369 CCCCSc1ncc(cc1O)F 62a_100009820119_100000210210 [0,2,0,0,0,0|1,0,0]=3 14482 B13R1.369 CCCCSc1ncc(nc1Br)Br 62a_100000210211_100010235571 [0,2,0,0,0,0|2,0,0]=4 14483 B13R1.369 CCCCSc1ncc(nc1Br)Br 62a_100010235571_100000210210 [0,2,0,0,0,0|2,0,0]=4 14484 B13R1.369 CCCCSc1ncc(nc1C)C 62a_100000065684_100000210210 [0,2,0,0,0,0|2,0,0]=4 14485 B13R1.369 CCCCSc1ncc(nc1C)C 62a_100000210211_100000065684 [0,2,0,0,0,0|2,0,0]=4 14486 B13R1.369 CCCCSc1ncc(nc1C)N 62a_100000210211_100009818570 [0,2,0,0,0,0|2,0,0]=4 14487 B13R1.369 CCCCSc1ncc(nc1C)N 62a_100009818570_100000210210 [0,2,0,0,0,0|2,0,0]=4 14488 B13R1.369 CCCCSc1ncc(nc1Cl)Cl 62a_100000210211_100010173851 [0,2,0,0,0,0|2,0,0]=4 14489 B13R1.369 CCCCSc1ncc(nc1Cl)N 62a_100000210211_100010116657 [0,2,0,0,0,0|2,0,0]=4 14490 B13R1.369 CCCCSc1ncc(nc1Cl)N 62a_100010116657_100000210210 [0,2,0,0,0,0|2,0,0]=4 14491 B13R1.369 CCCCSc1nnc(cc1C)N 62a_100000123434_100000210210 [0,2,0,0,0,0|2,0,0]=4 14492 B13R1.369 CCCCSc1nnc(cc1C)N 62a_100000210211_100000123434 [0,2,0,0,0,0|2,0,0]=4 14493 B13R1.369 CCCNCc1ccc(cc1Br)Br 207a_100020643023_100012351556 [0,2,0,0,0,0|2,0,0]=4 14494 B13R1.369 CCCNCc1ccc(cc1Br)Br 270004a_100020643023_100012351556 [0,2,0,0,0,0|2,0,0]=4 14495 B13R1.369 CCCNCc1ccc(cc1Br)C 207a_100020643023_100000692596 [0,2,0,0,0,0|2,0,0]=4 14496 B13R1.369 CCCNCc1ccc(cc1Br)C 270004a_100020643023_100000692596 [0,2,0,0,0,0|2,0,0]=4 14497 B13R1.369 CCCNCc1ccc(cc1Br)Cl 207a_100020643023_100000687667 [0,2,0,0,0,0|2,0,0]=4 14498 B13R1.369 CCCNCc1ccc(cc1Br)Cl 270004a_100020643023_100000687667 [0,2,0,0,0,0|2,0,0]=4 14499 B13R1.369 CCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210303 [0,2,0,0,0,0|2,0,0]=4 14500 B13R1.369 CCCNCc1ccc(cc1Br)F 207a_100020643023_100000685661 [0,2,0,0,0,0|2,0,0]=4 14501 B13R1.369 CCCNCc1ccc(cc1Br)F 270004a_100020643023_100000685661 [0,2,0,0,0,0|2,0,0]=4 14502 B13R1.369 CCCNCc1ccc(cc1Br)F 34a_100000708791_100000210303 [0,2,0,0,0,0|2,0,0]=4 14503 B13R1.369 CCCNCc1ccc(cc1Br)I 207a_100020643023_100010185650 [0,2,0,0,0,0|2,0,0]=4 14504 B13R1.369 CCCNCc1ccc(cc1C)Br 207a_100020643023_100000687586 [0,2,0,0,0,0|2,0,0]=4 14505 B13R1.369 CCCNCc1ccc(cc1C)Br 270004a_100020643023_100000687586 [0,2,0,0,0,0|2,0,0]=4 14506 B13R1.369 CCCNCc1ccc(cc1C)Br 34a_100000753881_100000210303 [0,2,0,0,0,0|2,0,0]=4 14507 B13R1.369 CCCNCc1ccc(cc1C)C 207a_100020643023_100000211342 [0,2,0,0,0,0|2,0,0]=4 14508 B13R1.369 CCCNCc1ccc(cc1C)C 270004a_100020643023_100000211342 [0,2,0,0,0,0|2,0,0]=4 14509 B13R1.369 CCCNCc1ccc(cc1C)C 34a_100000737523_100000210303 [0,2,0,0,0,0|2,0,0]=4 14510 B13R1.369 CCCNCc1ccc(cc1C)Cl 207a_100020643023_100000766358 [0,2,0,0,0,0|2,0,0]=4 14511 B13R1.369 CCCNCc1ccc(cc1C)Cl 270004a_100020643023_100000766358 [0,2,0,0,0,0|2,0,0]=4 14512 B13R1.369 CCCNCc1ccc(cc1C)Cl 34a_103436540063_100000210303 [0,2,0,0,0,0|2,0,0]=4 14513 B13R1.369 CCCNCc1ccc(cc1C)F 207a_100020643023_100000745986 [0,2,0,0,0,0|2,0,0]=4 14514 B13R1.369 CCCNCc1ccc(cc1C)F 270004a_100020643023_100000745986 [0,2,0,0,0,0|2,0,0]=4 14515 B13R1.369 CCCNCc1ccc(cc1C)F 34a_100137329023_100000210303 [0,2,0,0,0,0|2,0,0]=4 14516 B13R1.369 CCCNCc1ccc(cc1Cl)Br 207a_100020643023_100000764164 [0,2,0,0,0,0|2,0,0]=4 14517 B13R1.369 CCCNCc1ccc(cc1Cl)Br 270004a_100020643023_100000764164 [0,2,0,0,0,0|2,0,0]=4 14518 B13R1.369 CCCNCc1ccc(cc1Cl)Br 34a_100020628970_100000210303 [0,2,0,0,0,0|2,0,0]=4 14519 B13R1.369 CCCNCc1ccc(cc1Cl)C 207a_100020643023_100011935181 [0,2,0,0,0,0|2,0,0]=4 14520 B13R1.369 CCCNCc1ccc(cc1Cl)C 270004a_100020643023_100011935181 [0,2,0,0,0,0|2,0,0]=4 14521 B13R1.369 CCCNCc1ccc(cc1Cl)C 34a_100011997539_100000210303 [0,2,0,0,0,0|2,0,0]=4 14522 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 207a_100020643023_100000188887 [0,2,0,0,0,0|2,0,0]=4 14523 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 270004a_100020643023_100000188887 [0,2,0,0,0,0|2,0,0]=4 14524 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210303 [0,2,0,0,0,0|2,0,0]=4 14525 B13R1.369 CCCNCc1ccc(cc1Cl)F 207a_100020643023_100000752949 [0,2,0,0,0,0|2,0,0]=4 14526 B13R1.369 CCCNCc1ccc(cc1Cl)F 270004a_100020643023_100000752949 [0,2,0,0,0,0|2,0,0]=4 14527 B13R1.369 CCCNCc1ccc(cc1Cl)F 34a_100000174946_100000210303 [0,2,0,0,0,0|2,0,0]=4 14528 B13R1.369 CCCNCc1ccc(cc1Cl)I 207a_100020643023_100000727542 [0,2,0,0,0,0|2,0,0]=4 14529 B13R1.369 CCCNCc1ccc(cc1Cl)O 34a_200161156549_100000210303 [0,2,0,0,0,0|2,0,0]=4 14530 B13R1.369 CCCNCc1ccc(cc1F)Br 207a_100020643023_100000211676 [0,2,0,0,0,0|2,0,0]=4 14531 B13R1.369 CCCNCc1ccc(cc1F)Br 270004a_100020643023_100000211676 [0,2,0,0,0,0|2,0,0]=4 14532 B13R1.369 CCCNCc1ccc(cc1F)Br 34a_100000754580_100000210303 [0,2,0,0,0,0|2,0,0]=4 14533 B13R1.369 CCCNCc1ccc(cc1F)C 207a_100020643023_100011217368 [0,2,0,0,0,0|2,0,0]=4 14534 B13R1.369 CCCNCc1ccc(cc1F)C 270004a_100020643023_100011217368 [0,2,0,0,0,0|2,0,0]=4 14535 B13R1.369 CCCNCc1ccc(cc1F)C 34a_100102887089_100000210303 [0,2,0,0,0,0|2,0,0]=4 14536 B13R1.369 CCCNCc1ccc(cc1F)Cl 207a_100020643023_100000697372 [0,2,0,0,0,0|2,0,0]=4 14537 B13R1.369 CCCNCc1ccc(cc1F)Cl 270004a_100020643023_100000697372 [0,2,0,0,0,0|2,0,0]=4 14538 B13R1.369 CCCNCc1ccc(cc1F)Cl 34a_100000708496_100000210303 [0,2,0,0,0,0|2,0,0]=4 14539 B13R1.369 CCCNCc1ccc(cc1F)F 207a_100020643023_100000211964 [0,2,0,0,0,0|2,0,0]=4 14540 B13R1.369 CCCNCc1ccc(cc1F)F 270004a_100020643023_100000211964 [0,2,0,0,0,0|2,0,0]=4 14541 B13R1.369 CCCNCc1ccc(cc1F)F 34a_100000737868_100000210303 [0,2,0,0,0,0|2,0,0]=4 14542 B13R1.369 CCCNCc1ccc(cc1F)I 207a_100020643023_100000050965 [0,2,0,0,0,0|2,0,0]=4 14543 B13R1.369 CCCNCc1ccc(cc1I)Br 207a_100020643023_100010146562 [0,2,0,0,0,0|2,0,0]=4 14544 B13R1.369 CCCNCc1ccc(cc1I)Br 270004a_100020643023_100010146562 [0,2,0,0,0,0|2,0,0]=4 14545 B13R1.369 CCCNCc1ccc(cc1I)C 207a_100020643023_100010150104 [0,2,0,0,0,0|2,0,0]=4 14546 B13R1.369 CCCNCc1ccc(cc1I)C 270004a_100020643023_100010150104 [0,2,0,0,0,0|2,0,0]=4 14547 B13R1.369 CCCNCc1ccc(cc1I)F 207a_100020643023_100010254405 [0,2,0,0,0,0|2,0,0]=4 14548 B13R1.369 CCCNCc1ncc(cc1Br)Br 207a_100020643023_100000688198 [0,2,0,0,0,0|1,0,0]=3 14549 B13R1.369 CCCNCc1ncc(cc1Br)Br 270004a_100020643023_100000688198 [0,2,0,0,0,0|1,0,0]=3 14550 B13R1.369 CCCNCc1ncc(cc1Br)Cl 207a_100020643023_100010064872 [0,2,0,0,0,0|1,0,0]=3 14551 B13R1.369 CCCNCc1ncc(cc1Br)Cl 270004a_100020643023_100010064872 [0,2,0,0,0,0|1,0,0]=3 14552 B13R1.369 CCCNCc1ncc(cc1C)Br 207a_100020643023_100010185443 [0,2,0,0,0,0|1,0,0]=3 14553 B13R1.369 CCCNCc1ncc(cc1C)Br 270004a_100020643023_100010185443 [0,2,0,0,0,0|1,0,0]=3 14554 B13R1.369 CCCNCc1ncc(cc1C)Cl 207a_100020643023_200009887756 [0,2,0,0,0,0|1,0,0]=3 14555 B13R1.369 CCCNCc1ncc(cc1C)Cl 270004a_100020643023_200009887756 [0,2,0,0,0,0|1,0,0]=3 14556 B13R1.369 CCCNCc1ncc(cc1Cl)Br 207a_100020643023_100009814801 [0,2,0,0,0,0|1,0,0]=3 14557 B13R1.369 CCCNCc1ncc(cc1Cl)Br 270004a_100020643023_100009814801 [0,2,0,0,0,0|1,0,0]=3 14558 B13R1.369 CCCNCc1ncc(cc1Cl)Br 34a_100025703182_100000210303 [0,2,0,0,0,0|1,0,0]=3 14559 B13R1.369 CCCNCc1ncc(cc1Cl)Cl 207a_100020643023_100011361609 [0,2,0,0,0,0|1,0,0]=3 14560 B13R1.369 CCCNCc1ncc(cc1Cl)Cl 270004a_100020643023_100011361609 [0,2,0,0,0,0|1,0,0]=3 14561 B13R1.369 CCCNCc1ncc(cc1Cl)F 34a_100020639648_100000210303 [0,2,0,0,0,0|1,0,0]=3 14562 B13R1.369 CCCNCc1ncc(cc1F)Br 207a_100020643023_100010180630 [0,2,0,0,0,0|1,0,0]=3 14563 B13R1.369 CCCNCc1ncc(cc1F)Br 270004a_100020643023_100010180630 [0,2,0,0,0,0|1,0,0]=3 14564 B13R1.369 CCCNCc1ncc(cc1F)Br 34a_100015188786_100000210303 [0,2,0,0,0,0|1,0,0]=3 14565 B13R1.369 CCCNCc1ncc(cc1F)C 207a_100020643023_100009845184 [0,2,0,0,0,0|1,0,0]=3 14566 B13R1.369 CCCNCc1ncc(cc1F)C 270004a_100020643023_100009845184 [0,2,0,0,0,0|1,0,0]=3 14567 B13R1.369 CCCNCc1ncc(cc1F)Cl 207a_100020643023_100009858488 [0,2,0,0,0,0|1,0,0]=3 14568 B13R1.369 CCCNCc1ncc(cc1F)Cl 270004a_100020643023_100009858488 [0,2,0,0,0,0|1,0,0]=3 14569 B13R1.369 CCCNCc1ncc(cc1F)F 34a_100015188779_100000210303 [0,2,0,0,0,0|1,0,0]=3 14570 B13R1.369 CCCNCc1ncc(nc1Cl)Cl 2230a_100020639390_100000210303 [0,2,0,0,0,0|2,0,0]=4 14571 B13R1.369 CCCOCc1ccc(cc1Br)Br 34a_100000210258_200012351560 [0,2,0,0,0,0|2,0,0]=4 14572 B13R1.369 CCCOCc1ccc(cc1Br)Br 34a_100012357508_100000210303 [0,2,0,0,0,0|2,0,0]=4 14573 B13R1.369 CCCOCc1ccc(cc1Br)Br 7a_100012357508_100000210303 [0,2,0,0,0,0|2,0,0]=4 14574 B13R1.369 CCCOCc1ccc(cc1Br)Cl 34a_100000210258_100000755608 [0,2,0,0,0,0|2,0,0]=4 14575 B13R1.369 CCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000210303 [0,2,0,0,0,0|2,0,0]=4 14576 B13R1.369 CCCOCc1ccc(cc1Br)Cl 7a_100000707881_100000210303 [0,2,0,0,0,0|2,0,0]=4 14577 B13R1.369 CCCOCc1ccc(cc1Br)F 34a_100000210258_100000243222 [0,2,0,0,0,0|2,0,0]=4 14578 B13R1.369 CCCOCc1ccc(cc1Br)F 34a_100000744086_100000210303 [0,2,0,0,0,0|2,0,0]=4 14579 B13R1.369 CCCOCc1ccc(cc1Br)F 7a_100000744086_100000210303 [0,2,0,0,0,0|2,0,0]=4 14580 B13R1.369 CCCOCc1ccc(cc1Br)I 34a_100000210258_100010146610 [0,2,0,0,0,0|2,0,0]=4 14581 B13R1.369 CCCOCc1ccc(cc1Br)I 7a_100010240206_100000210303 [0,2,0,0,0,0|2,0,0]=4 14582 B13R1.369 CCCOCc1ccc(cc1C)Br 34a_100000210258_100000708836 [0,2,0,0,0,0|2,0,0]=4 14583 B13R1.369 CCCOCc1ccc(cc1C)Br 34a_100000748258_100000210303 [0,2,0,0,0,0|2,0,0]=4 14584 B13R1.369 CCCOCc1ccc(cc1C)Br 7a_100000748258_100000210303 [0,2,0,0,0,0|2,0,0]=4 14585 B13R1.369 CCCOCc1ccc(cc1C)C 34a_100000210258_100011219618 [0,2,0,0,0,0|2,0,0]=4 14586 B13R1.369 CCCOCc1ccc(cc1C)C 34a_100011215341_100000210303 [0,2,0,0,0,0|2,0,0]=4 14587 B13R1.369 CCCOCc1ccc(cc1C)C 7a_100011215341_100000210303 [0,2,0,0,0,0|2,0,0]=4 14588 B13R1.369 CCCOCc1ccc(cc1C)Cl 34a_100000210258_100012361307 [0,2,0,0,0,0|2,0,0]=4 14589 B13R1.369 CCCOCc1ccc(cc1C)Cl 34a_100000702939_100000210303 [0,2,0,0,0,0|2,0,0]=4 14590 B13R1.369 CCCOCc1ccc(cc1C)Cl 7a_100000702939_100000210303 [0,2,0,0,0,0|2,0,0]=4 14591 B13R1.369 CCCOCc1ccc(cc1C)F 34a_100000210258_100000700533 [0,2,0,0,0,0|2,0,0]=4 14592 B13R1.369 CCCOCc1ccc(cc1C)F 34a_100000700136_100000210303 [0,2,0,0,0,0|2,0,0]=4 14593 B13R1.369 CCCOCc1ccc(cc1C)F 7a_100000700136_100000210303 [0,2,0,0,0,0|2,0,0]=4 14594 B13R1.369 CCCOCc1ccc(cc1C)N 34a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 14595 B13R1.369 CCCOCc1ccc(cc1C)N 7a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 14596 B13R1.369 CCCOCc1ccc(cc1Cl)Br 34a_100000210258_100011740631 [0,2,0,0,0,0|2,0,0]=4 14597 B13R1.369 CCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000210303 [0,2,0,0,0,0|2,0,0]=4 14598 B13R1.369 CCCOCc1ccc(cc1Cl)Br 7a_100000756401_100000210303 [0,2,0,0,0,0|2,0,0]=4 14599 B13R1.369 CCCOCc1ccc(cc1Cl)C 34a_100000210258_100012349684 [0,2,0,0,0,0|2,0,0]=4 14600 B13R1.369 CCCOCc1ccc(cc1Cl)C 34a_100000720314_100000210303 [0,2,0,0,0,0|2,0,0]=4 14601 B13R1.369 CCCOCc1ccc(cc1Cl)C 7a_100000720314_100000210303 [0,2,0,0,0,0|2,0,0]=4 14602 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 34a_100000210258_100000188473 [0,2,0,0,0,0|2,0,0]=4 14603 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000210303 [0,2,0,0,0,0|2,0,0]=4 14604 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000210303 [0,2,0,0,0,0|2,0,0]=4 14605 B13R1.369 CCCOCc1ccc(cc1Cl)F 34a_100000210258_100011216360 [0,2,0,0,0,0|2,0,0]=4 14606 B13R1.369 CCCOCc1ccc(cc1Cl)F 34a_100011219954_100000210303 [0,2,0,0,0,0|2,0,0]=4 14607 B13R1.369 CCCOCc1ccc(cc1Cl)F 7a_100011219954_100000210303 [0,2,0,0,0,0|2,0,0]=4 14608 B13R1.369 CCCOCc1ccc(cc1Cl)N 34a_100000689119_100000210303 [0,2,0,0,0,0|2,0,0]=4 14609 B13R1.369 CCCOCc1ccc(cc1F)Br 34a_100000210258_100000211606 [0,2,0,0,0,0|2,0,0]=4 14610 B13R1.369 CCCOCc1ccc(cc1F)Br 34a_100011191541_100000210303 [0,2,0,0,0,0|2,0,0]=4 14611 B13R1.369 CCCOCc1ccc(cc1F)Br 7a_100011191541_100000210303 [0,2,0,0,0,0|2,0,0]=4 14612 B13R1.369 CCCOCc1ccc(cc1F)C 34a_100000210258_100012002367 [0,2,0,0,0,0|2,0,0]=4 14613 B13R1.369 CCCOCc1ccc(cc1F)C 34a_100011216587_100000210303 [0,2,0,0,0,0|2,0,0]=4 14614 B13R1.369 CCCOCc1ccc(cc1F)C 7a_100011216587_100000210303 [0,2,0,0,0,0|2,0,0]=4 14615 B13R1.369 CCCOCc1ccc(cc1F)Cl 34a_100000210258_100000709361 [0,2,0,0,0,0|2,0,0]=4 14616 B13R1.369 CCCOCc1ccc(cc1F)Cl 34a_100011217562_100000210303 [0,2,0,0,0,0|2,0,0]=4 14617 B13R1.369 CCCOCc1ccc(cc1F)Cl 7a_100011217562_100000210303 [0,2,0,0,0,0|2,0,0]=4 14618 B13R1.369 CCCOCc1ccc(cc1F)F 34a_100000210258_100000748237 [0,2,0,0,0,0|2,0,0]=4 14619 B13R1.369 CCCOCc1ccc(cc1F)F 34a_100011215441_100000210303 [0,2,0,0,0,0|2,0,0]=4 14620 B13R1.369 CCCOCc1ccc(cc1F)F 7a_100011215441_100000210303 [0,2,0,0,0,0|2,0,0]=4 14621 B13R1.369 CCCOCc1ccc(cc1F)I 34a_100000210258_100010244991 [0,2,0,0,0,0|2,0,0]=4 14622 B13R1.369 CCCOCc1ccc(cc1F)I 34a_200010202041_100000210303 [0,2,0,0,0,0|2,0,0]=4 14623 B13R1.369 CCCOCc1ccc(cc1F)I 7a_200010202041_100000210303 [0,2,0,0,0,0|2,0,0]=4 14624 B13R1.369 CCCOCc1ccc(cc1I)Br 34a_100000210258_100010146615 [0,2,0,0,0,0|2,0,0]=4 14625 B13R1.369 CCCOCc1ccc(cc1I)Br 7a_100010146605_100000210303 [0,2,0,0,0,0|2,0,0]=4 14626 B13R1.369 CCCOCc1ccc(cc1I)Cl 34a_100000210258_100010254388 [0,2,0,0,0,0|2,0,0]=4 14627 B13R1.369 CCCOCc1ccc(cc1I)Cl 34a_100000722340_100000210303 [0,2,0,0,0,0|2,0,0]=4 14628 B13R1.369 CCCOCc1ccc(cc1I)Cl 7a_100000722340_100000210303 [0,2,0,0,0,0|2,0,0]=4 14629 B13R1.369 CCCOCc1ccc(cc1I)F 34a_100000210258_100012354799 [0,2,0,0,0,0|2,0,0]=4 14630 B13R1.369 CCCOCc1ccc(cc1I)F 34a_100011356828_100000210303 [0,2,0,0,0,0|2,0,0]=4 14631 B13R1.369 CCCOCc1ccc(cc1I)F 7a_100011356828_100000210303 [0,2,0,0,0,0|2,0,0]=4 14632 B13R1.369 CCCOCc1ccc(cc1N)Br 34a_100000718831_100000210303 [0,2,0,0,0,0|2,0,0]=4 14633 B13R1.369 CCCOCc1ccc(cc1N)Br 7a_100000718831_100000210303 [0,2,0,0,0,0|2,0,0]=4 14634 B13R1.369 CCCOCc1ccc(cc1N)C 34a_100000087799_100000210303 [0,2,0,0,0,0|2,0,0]=4 14635 B13R1.369 CCCOCc1ccc(cc1N)C 7a_100000087799_100000210303 [0,2,0,0,0,0|2,0,0]=4 14636 B13R1.369 CCCOCc1ccc(cc1N)Cl 34a_100000238622_100000210303 [0,2,0,0,0,0|2,0,0]=4 14637 B13R1.369 CCCOCc1ccc(cc1N)Cl 7a_100000238622_100000210303 [0,2,0,0,0,0|2,0,0]=4 14638 B13R1.369 CCCOCc1ccc(cc1N)F 34a_100011996588_100000210303 [0,2,0,0,0,0|2,0,0]=4 14639 B13R1.369 CCCOCc1ncc(cc1Br)Br 34a_100012354961_100000210303 [0,2,0,0,0,0|1,0,0]=3 14640 B13R1.369 CCCOCc1ncc(cc1Br)Br 7a_100012354961_100000210303 [0,2,0,0,0,0|1,0,0]=3 14641 B13R1.369 CCCOCc1ncc(cc1Br)Cl 34a_100010065237_100000210303 [0,2,0,0,0,0|1,0,0]=3 14642 B13R1.369 CCCOCc1ncc(cc1Br)Cl 7a_100010065237_100000210303 [0,2,0,0,0,0|1,0,0]=3 14643 B13R1.369 CCCOCc1ncc(cc1C)Br 34a_100010116297_100000210303 [0,2,0,0,0,0|1,0,0]=3 14644 B13R1.369 CCCOCc1ncc(cc1C)Br 7a_100010116297_100000210303 [0,2,0,0,0,0|1,0,0]=3 14645 B13R1.369 CCCOCc1ncc(cc1C)C 34a_100000210258_100016990036 [0,2,0,0,0,0|1,0,0]=3 14646 B13R1.369 CCCOCc1ncc(cc1C)C 34a_100012000483_100000210303 [0,2,0,0,0,0|1,0,0]=3 14647 B13R1.369 CCCOCc1ncc(cc1C)C 7a_100012000483_100000210303 [0,2,0,0,0,0|1,0,0]=3 14648 B13R1.369 CCCOCc1ncc(cc1Cl)Br 34a_100010065239_100000210303 [0,2,0,0,0,0|1,0,0]=3 14649 B13R1.369 CCCOCc1ncc(cc1Cl)Br 7a_100010065239_100000210303 [0,2,0,0,0,0|1,0,0]=3 14650 B13R1.369 CCCOCc1ncc(cc1Cl)Cl 34a_100103146734_100000210303 [0,2,0,0,0,0|1,0,0]=3 14651 B13R1.369 CCCOCc1ncc(cc1Cl)Cl 7a_100103146734_100000210303 [0,2,0,0,0,0|1,0,0]=3 14652 B13R1.369 CCCOCc1ncc(cc1F)Br 34a_100010065252_100000210303 [0,2,0,0,0,0|1,0,0]=3 14653 B13R1.369 CCCOCc1ncc(cc1F)Br 7a_100010065252_100000210303 [0,2,0,0,0,0|1,0,0]=3 14654 B13R1.369 CCCOCc1ncc(cc1F)Cl 34a_100000210258_200009879301 [0,2,0,0,0,0|1,0,0]=3 14655 B13R1.369 CCCOCc1ncc(cc1F)Cl 34a_100009885607_100000210303 [0,2,0,0,0,0|1,0,0]=3 14656 B13R1.369 CCCOCc1ncc(cc1F)Cl 7a_100009885607_100000210303 [0,2,0,0,0,0|1,0,0]=3 14657 B13R1.369 CCCOCc1ncc(cc1F)F 34a_100000104222_100000210303 [0,2,0,0,0,0|1,0,0]=3 14658 B13R1.369 CCCOCc1ncc(cc1F)F 7a_100000104222_100000210303 [0,2,0,0,0,0|1,0,0]=3 14659 B13R1.369 CCCSCc1ccc(cc1Br)Br 62a_100000210303_200012351560 [0,2,0,0,0,0|2,0,0]=4 14660 B13R1.369 CCCSCc1ccc(cc1Br)Br 62a_200012351560_100000210303 [0,2,0,0,0,0|2,0,0]=4 14661 B13R1.369 CCCSCc1ccc(cc1Br)Cl 62a_100000210303_100000755608 [0,2,0,0,0,0|2,0,0]=4 14662 B13R1.369 CCCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210303 [0,2,0,0,0,0|2,0,0]=4 14663 B13R1.369 CCCSCc1ccc(cc1Br)F 62a_100000210303_100000243222 [0,2,0,0,0,0|2,0,0]=4 14664 B13R1.369 CCCSCc1ccc(cc1Br)F 62a_100000243222_100000210303 [0,2,0,0,0,0|2,0,0]=4 14665 B13R1.369 CCCSCc1ccc(cc1Br)I 62a_100000210303_100010146610 [0,2,0,0,0,0|2,0,0]=4 14666 B13R1.369 CCCSCc1ccc(cc1Br)I 62a_100010146610_100000210303 [0,2,0,0,0,0|2,0,0]=4 14667 B13R1.369 CCCSCc1ccc(cc1C)Br 62a_100000210303_100000708836 [0,2,0,0,0,0|2,0,0]=4 14668 B13R1.369 CCCSCc1ccc(cc1C)Br 62a_100000708836_100000210303 [0,2,0,0,0,0|2,0,0]=4 14669 B13R1.369 CCCSCc1ccc(cc1C)C 62a_100000210303_100011219618 [0,2,0,0,0,0|2,0,0]=4 14670 B13R1.369 CCCSCc1ccc(cc1C)C 62a_100011219618_100000210303 [0,2,0,0,0,0|2,0,0]=4 14671 B13R1.369 CCCSCc1ccc(cc1C)Cl 62a_100000210303_100012361307 [0,2,0,0,0,0|2,0,0]=4 14672 B13R1.369 CCCSCc1ccc(cc1C)Cl 62a_100012361307_100000210303 [0,2,0,0,0,0|2,0,0]=4 14673 B13R1.369 CCCSCc1ccc(cc1C)F 62a_100000210303_100000700533 [0,2,0,0,0,0|2,0,0]=4 14674 B13R1.369 CCCSCc1ccc(cc1C)F 62a_100000700533_100000210303 [0,2,0,0,0,0|2,0,0]=4 14675 B13R1.369 CCCSCc1ccc(cc1Cl)Br 62a_100000210303_100011740631 [0,2,0,0,0,0|2,0,0]=4 14676 B13R1.369 CCCSCc1ccc(cc1Cl)Br 62a_100011740631_100000210303 [0,2,0,0,0,0|2,0,0]=4 14677 B13R1.369 CCCSCc1ccc(cc1Cl)C 62a_100000210303_100012349684 [0,2,0,0,0,0|2,0,0]=4 14678 B13R1.369 CCCSCc1ccc(cc1Cl)C 62a_100012349684_100000210303 [0,2,0,0,0,0|2,0,0]=4 14679 B13R1.369 CCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210303 [0,2,0,0,0,0|2,0,0]=4 14680 B13R1.369 CCCSCc1ccc(cc1Cl)Cl 62a_100000210303_100000188473 [0,2,0,0,0,0|2,0,0]=4 14681 B13R1.369 CCCSCc1ccc(cc1Cl)F 62a_100000187853_100000210303 [0,2,0,0,0,0|2,0,0]=4 14682 B13R1.369 CCCSCc1ccc(cc1Cl)F 62a_100000210303_100000187853 [0,2,0,0,0,0|2,0,0]=4 14683 B13R1.369 CCCSCc1ccc(cc1F)Br 62a_100000210303_100000211606 [0,2,0,0,0,0|2,0,0]=4 14684 B13R1.369 CCCSCc1ccc(cc1F)Br 62a_100000211606_100000210303 [0,2,0,0,0,0|2,0,0]=4 14685 B13R1.369 CCCSCc1ccc(cc1F)C 62a_100000210303_100011217900 [0,2,0,0,0,0|2,0,0]=4 14686 B13R1.369 CCCSCc1ccc(cc1F)C 62a_100011217900_100000210303 [0,2,0,0,0,0|2,0,0]=4 14687 B13R1.369 CCCSCc1ccc(cc1F)Cl 62a_100000210303_100000709361 [0,2,0,0,0,0|2,0,0]=4 14688 B13R1.369 CCCSCc1ccc(cc1F)Cl 62a_100000709361_100000210303 [0,2,0,0,0,0|2,0,0]=4 14689 B13R1.369 CCCSCc1ccc(cc1F)F 62a_100000210303_100000748237 [0,2,0,0,0,0|2,0,0]=4 14690 B13R1.369 CCCSCc1ccc(cc1F)F 62a_100000748237_100000210303 [0,2,0,0,0,0|2,0,0]=4 14691 B13R1.369 CCCSCc1ccc(cc1F)I 62a_100000210303_100010244991 [0,2,0,0,0,0|2,0,0]=4 14692 B13R1.369 CCCSCc1ccc(cc1F)I 62a_100010244991_100000210303 [0,2,0,0,0,0|2,0,0]=4 14693 B13R1.369 CCCSCc1ccc(cc1I)Br 62a_100000210303_100010146615 [0,2,0,0,0,0|2,0,0]=4 14694 B13R1.369 CCCSCc1ccc(cc1I)Br 62a_100010146615_100000210303 [0,2,0,0,0,0|2,0,0]=4 14695 B13R1.369 CCCSCc1ccc(cc1I)Cl 62a_100000210303_100010254388 [0,2,0,0,0,0|2,0,0]=4 14696 B13R1.369 CCCSCc1ccc(cc1I)Cl 62a_100010254388_100000210303 [0,2,0,0,0,0|2,0,0]=4 14697 B13R1.369 CCCSCc1ccc(cc1I)F 62a_100000210303_100012354799 [0,2,0,0,0,0|2,0,0]=4 14698 B13R1.369 CCCSCc1ccc(cc1I)F 62a_100012354799_100000210303 [0,2,0,0,0,0|2,0,0]=4 14699 B13R1.369 CCCSCc1ncc(cc1C)C 62a_100000210303_100016990036 [0,2,0,0,0,0|1,0,0]=3 14700 B13R1.369 CCCSCc1ncc(cc1C)C 62a_100016990036_100000210303 [0,2,0,0,0,0|1,0,0]=3 14701 B13R1.369 CCCSCc1ncc(cc1F)Cl 62a_100000210303_200009879301 [0,2,0,0,0,0|1,0,0]=3 14702 B13R1.369 CCCSCc1ncc(cc1F)Cl 62a_200009879301_100000210303 [0,2,0,0,0,0|1,0,0]=3 14703 B13R1.369 CCNCCc1ccc(cc1Br)Cl 2230a_100015525214_200012945151 [0,2,0,0,0,0|2,0,0]=4 14704 B13R1.369 CCNCCc1ccc(cc1C)C 2230a_100000745621_100000210202 [0,2,0,0,0,0|2,0,0]=4 14705 B13R1.369 CCNCCc1ccc(cc1C)C 270004a_100015525214_100011754701 [0,2,0,0,0,0|2,0,0]=4 14706 B13R1.369 CCNCCc1ccc(cc1C)C 34a_100000745621_100000210202 [0,2,0,0,0,0|2,0,0]=4 14707 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000210202 [0,2,0,0,0,0|2,0,0]=4 14708 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 2230a_100015525214_200012161198 [0,2,0,0,0,0|2,0,0]=4 14709 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000210202 [0,2,0,0,0,0|2,0,0]=4 14710 B13R1.369 CCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000210202 [0,2,0,0,0,0|2,0,0]=4 14711 B13R1.369 CCNCCc1ccc(cc1F)Cl 34a_103496529009_100000210202 [0,2,0,0,0,0|2,0,0]=4 14712 B13R1.369 CCNCCc1ccc(cc1F)F 2230a_100000754870_100000210202 [0,2,0,0,0,0|2,0,0]=4 14713 B13R1.369 CCNCCc1ccc(cc1F)F 34a_100000754870_100000210202 [0,2,0,0,0,0|2,0,0]=4 14714 B13R1.369 CCOCCc1ccc(cc1Br)Cl 34a_100121572206_200012945151 [0,2,0,0,0,0|2,0,0]=4 14715 B13R1.369 CCOCCc1ccc(cc1Cl)Br 34a_100013445822_100000210202 [0,2,0,0,0,0|2,0,0]=4 14716 B13R1.369 CCOCCc1ccc(cc1Cl)Br 7a_100013445822_100000210202 [0,2,0,0,0,0|2,0,0]=4 14717 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100000210202 [0,2,0,0,0,0|2,0,0]=4 14718 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 34a_100121572206_200012161198 [0,2,0,0,0,0|2,0,0]=4 14719 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100000210202 [0,2,0,0,0,0|2,0,0]=4 14720 B13R1.369 CCOCCc1ccc(cc1Cl)F 34a_100011962860_100000210202 [0,2,0,0,0,0|2,0,0]=4 14721 B13R1.369 CCOCCc1ccc(cc1Cl)F 7a_100011962860_100000210202 [0,2,0,0,0,0|2,0,0]=4 14722 B13R1.369 CCOCCc1ccc(cc1F)Br 34a_100011962869_100000210202 [0,2,0,0,0,0|2,0,0]=4 14723 B13R1.369 CCOCCc1ccc(cc1F)Br 7a_100011962869_100000210202 [0,2,0,0,0,0|2,0,0]=4 14724 B13R1.369 CCOCCc1ccc(cc1F)F 34a_100000697962_100000210202 [0,2,0,0,0,0|2,0,0]=4 14725 B13R1.369 CCOCCc1ccc(cc1F)F 7a_100000697962_100000210202 [0,2,0,0,0,0|2,0,0]=4 14726 B13R1.369 CCOCSc1ncc(cc1Br)Cl 62a_100000739092_100012154958 [0,2,0,0,0,0|2,0,0]=4 14727 B13R1.369 CCOCSc1ncc(cc1Br)Cl 62a_100012154958_100000739092 [0,2,0,0,0,0|2,0,0]=4 14728 B13R1.369 CCOCSc1ncc(cc1C)Br 62a_100000739092_100012353652 [0,2,0,0,0,0|2,0,0]=4 14729 B13R1.369 CCOCSc1ncc(cc1C)Br 62a_100012353652_100000739092 [0,2,0,0,0,0|2,0,0]=4 14730 B13R1.369 CCOCSc1ncc(cc1C)C 62a_100000739092_100009864548 [0,2,0,0,0,0|2,0,0]=4 14731 B13R1.369 CCOCSc1ncc(cc1C)C 62a_100009864548_100000739092 [0,2,0,0,0,0|2,0,0]=4 14732 B13R1.369 CCOCSc1ncc(cc1C)F 62a_100000739092_100009817009 [0,2,0,0,0,0|2,0,0]=4 14733 B13R1.369 CCOCSc1ncc(cc1C)F 62a_100009817009_100000739092 [0,2,0,0,0,0|2,0,0]=4 14734 B13R1.369 CCOCSc1ncc(cc1C)N 62a_100000739092_100000761747 [0,2,0,0,0,0|2,0,0]=4 14735 B13R1.369 CCOCSc1ncc(cc1C)N 62a_100000761747_100000739092 [0,2,0,0,0,0|2,0,0]=4 14736 B13R1.369 CCOCSc1ncc(cc1C)O 62a_100000739092_100012000486 [0,2,0,0,0,0|2,0,0]=4 14737 B13R1.369 CCOCSc1ncc(cc1C)O 62a_100012000486_100000739092 [0,2,0,0,0,0|2,0,0]=4 14738 B13R1.369 CCOCSc1ncc(cc1F)Br 62a_100000739092_100012348576 [0,2,0,0,0,0|2,0,0]=4 14739 B13R1.369 CCOCSc1ncc(cc1F)Br 62a_100012348576_100000739092 [0,2,0,0,0,0|2,0,0]=4 14740 B13R1.369 CCOCSc1ncc(cc1F)C 62a_100000739092_100009819633 [0,2,0,0,0,0|2,0,0]=4 14741 B13R1.369 CCOCSc1ncc(cc1F)C 62a_100009819633_100000739092 [0,2,0,0,0,0|2,0,0]=4 14742 B13R1.369 CCOCSc1ncc(cc1F)Cl 62a_100000739092_100012348686 [0,2,0,0,0,0|2,0,0]=4 14743 B13R1.369 CCOCSc1ncc(cc1F)Cl 62a_100012348686_100000739092 [0,2,0,0,0,0|2,0,0]=4 14744 B13R1.369 CCOCSc1ncc(cc1F)F 62a_100000739092_100011219543 [0,2,0,0,0,0|2,0,0]=4 14745 B13R1.369 CCOCSc1ncc(cc1F)F 62a_100011219543_100000739092 [0,2,0,0,0,0|2,0,0]=4 14746 B13R1.369 CCOCSc1ncc(cc1F)N 62a_100000739092_100010280766 [0,2,0,0,0,0|2,0,0]=4 14747 B13R1.369 CCOCSc1ncc(cc1F)N 62a_100010280766_100000739092 [0,2,0,0,0,0|2,0,0]=4 14748 B13R1.369 CCOCSc1ncc(cc1F)O 62a_100000739092_100000063512 [0,2,0,0,0,0|2,0,0]=4 14749 B13R1.369 CCOCSc1ncc(cc1N)Br 62a_100000739092_100010090555 [0,2,0,0,0,0|2,0,0]=4 14750 B13R1.369 CCOCSc1ncc(cc1N)Br 62a_100010090555_100000739092 [0,2,0,0,0,0|2,0,0]=4 14751 B13R1.369 CCOCSc1ncc(cc1N)C 62a_100000733613_100000739092 [0,2,0,0,0,0|2,0,0]=4 14752 B13R1.369 CCOCSc1ncc(cc1N)C 62a_100000739092_100000733613 [0,2,0,0,0,0|2,0,0]=4 14753 B13R1.369 CCOCSc1ncc(cc1N)F 62a_100000739092_100009817643 [0,2,0,0,0,0|2,0,0]=4 14754 B13R1.369 CCOCSc1ncc(cc1N)F 62a_100009817643_100000739092 [0,2,0,0,0,0|2,0,0]=4 14755 B13R1.369 CCOCSc1ncc(cc1N)N 62a_100000739092_200000093520 [0,2,0,0,0,0|2,0,0]=4 14756 B13R1.369 CCOCSc1ncc(cc1N)N 62a_200000093520_100000739092 [0,2,0,0,0,0|2,0,0]=4 14757 B13R1.369 CCOCSc1ncc(cc1O)Br 62a_100000739092_100010210634 [0,2,0,0,0,0|2,0,0]=4 14758 B13R1.369 CCOCSc1ncc(cc1O)Br 62a_100010210634_100000739092 [0,2,0,0,0,0|2,0,0]=4 14759 B13R1.369 CCOCSc1ncc(cc1O)C 62a_100000739092_100012000487 [0,2,0,0,0,0|2,0,0]=4 14760 B13R1.369 CCOCSc1ncc(cc1O)Cl 62a_100000739092_100010233512 [0,2,0,0,0,0|2,0,0]=4 14761 B13R1.369 CCOCSc1ncc(cc1O)Cl 62a_100010233512_100000739092 [0,2,0,0,0,0|2,0,0]=4 14762 B13R1.369 CCOCSc1ncc(cc1O)F 62a_100000739092_100000079967 [0,2,0,0,0,0|2,0,0]=4 14763 B13R1.369 CCOCSc1ncc(cc1O)F 62a_100009820119_100000739092 [0,2,0,0,0,0|2,0,0]=4 14764 B13R1.369 CCSCCc1ccc(cc1Br)Cl 62a_100000210202_200012945151 [0,2,0,0,0,0|2,0,0]=4 14765 B13R1.369 CCSCCc1ccc(cc1Br)Cl 62a_200012945151_100000210202 [0,2,0,0,0,0|2,0,0]=4 14766 B13R1.369 CCSCCc1ccc(cc1Cl)Cl 62a_100000210202_200012161198 [0,2,0,0,0,0|2,0,0]=4 14767 B13R1.369 CCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100000210202 [0,2,0,0,0,0|2,0,0]=4 14768 B13R1.369 CNCCCc1ccc(cc1Cl)Cl 270004a_106832991635_100000765304 [0,2,0,0,0,0|2,0,0]=4 14769 B13R1.369 COCCCc1ccc(cc1Cl)Cl 34a_200011713141_200000210301 [0,2,0,0,0,0|2,0,0]=4 14770 B13R1.369 COCCCc1ccc(cc1Cl)Cl 7a_200011713141_200000210301 [0,2,0,0,0,0|2,0,0]=4 14771 B13R1.369 COCCNc1ncc(cc1F)Cl 7a_200012004119_200000210301 [0,2,0,0,0,0|2,0,0]=4 14772 B13R1.369 COCCOc1ncc(cc1Br)Br 34a_100000701035_100011201679 [0,2,0,0,0,0|2,0,0]=4 14773 B13R1.369 COCCOc1ncc(cc1Br)C 34a_100000719714_100011201679 [0,2,0,0,0,0|2,0,0]=4 14774 B13R1.369 COCCOc1ncc(cc1C)Br 34a_100000685391_100011201679 [0,2,0,0,0,0|2,0,0]=4 14775 B13R1.369 COCCOc1ncc(cc1Cl)Br 34a_100012339560_100011201679 [0,2,0,0,0,0|2,0,0]=4 14776 B13R1.369 COCCOc1ncc(cc1Cl)F 34a_100009847679_100011201679 [0,2,0,0,0,0|2,0,0]=4 14777 B13R1.369 COCCOc1ncc(cc1F)Cl 34a_100011998252_100011201679 [0,2,0,0,0,0|2,0,0]=4 14778 B13R1.369 COCCOc1ncc(cc1F)F 34a_100012025737_100011201679 [0,2,0,0,0,0|2,0,0]=4 14779 B13R1.369 COCCOc1ncc(cc1N)Br 34a_100000743729_100011201679 [0,2,0,0,0,0|2,0,0]=4 14780 B13R1.369 COCCOc1ncc(cc1N)C 34a_100012000488_100011201679 [0,2,0,0,0,0|2,0,0]=4 14781 B13R1.369 COCCOc1ncc(cc1N)Cl 34a_100011998249_100011201679 [0,2,0,0,0,0|2,0,0]=4 14782 B13R1.369 COCCSc1ncc(cc1Br)Cl 62a_100000233755_100012154958 [0,2,0,0,0,0|2,0,0]=4 14783 B13R1.369 COCCSc1ncc(cc1Br)Cl 62a_100012154958_100000233755 [0,2,0,0,0,0|2,0,0]=4 14784 B13R1.369 COCCSc1ncc(cc1C)Br 62a_100000233755_100012353652 [0,2,0,0,0,0|2,0,0]=4 14785 B13R1.369 COCCSc1ncc(cc1C)Br 62a_100012353652_100000233755 [0,2,0,0,0,0|2,0,0]=4 14786 B13R1.369 COCCSc1ncc(cc1C)C 62a_100000233755_100009864548 [0,2,0,0,0,0|2,0,0]=4 14787 B13R1.369 COCCSc1ncc(cc1C)C 62a_100009864548_100000233755 [0,2,0,0,0,0|2,0,0]=4 14788 B13R1.369 COCCSc1ncc(cc1C)F 62a_100000233755_100009817009 [0,2,0,0,0,0|2,0,0]=4 14789 B13R1.369 COCCSc1ncc(cc1C)F 62a_100009817009_100000233755 [0,2,0,0,0,0|2,0,0]=4 14790 B13R1.369 COCCSc1ncc(cc1C)N 62a_100000233755_100000761747 [0,2,0,0,0,0|2,0,0]=4 14791 B13R1.369 COCCSc1ncc(cc1C)N 62a_100000761747_100000233755 [0,2,0,0,0,0|2,0,0]=4 14792 B13R1.369 COCCSc1ncc(cc1C)O 62a_100000233755_100012000486 [0,2,0,0,0,0|2,0,0]=4 14793 B13R1.369 COCCSc1ncc(cc1C)O 62a_100012000486_100000233755 [0,2,0,0,0,0|2,0,0]=4 14794 B13R1.369 COCCSc1ncc(cc1F)Br 62a_100000233755_100012348576 [0,2,0,0,0,0|2,0,0]=4 14795 B13R1.369 COCCSc1ncc(cc1F)Br 62a_100012348576_100000233755 [0,2,0,0,0,0|2,0,0]=4 14796 B13R1.369 COCCSc1ncc(cc1F)C 62a_100000233755_100009819633 [0,2,0,0,0,0|2,0,0]=4 14797 B13R1.369 COCCSc1ncc(cc1F)C 62a_100009819633_100000233755 [0,2,0,0,0,0|2,0,0]=4 14798 B13R1.369 COCCSc1ncc(cc1F)Cl 62a_100000233755_100012348686 [0,2,0,0,0,0|2,0,0]=4 14799 B13R1.369 COCCSc1ncc(cc1F)Cl 62a_100012348686_100000233755 [0,2,0,0,0,0|2,0,0]=4 14800 B13R1.369 COCCSc1ncc(cc1F)F 62a_100000233755_100011219543 [0,2,0,0,0,0|2,0,0]=4 14801 B13R1.369 COCCSc1ncc(cc1F)F 62a_100011219543_100000233755 [0,2,0,0,0,0|2,0,0]=4 14802 B13R1.369 COCCSc1ncc(cc1F)N 62a_100000233755_100010280766 [0,2,0,0,0,0|2,0,0]=4 14803 B13R1.369 COCCSc1ncc(cc1F)N 62a_100010280766_100000233755 [0,2,0,0,0,0|2,0,0]=4 14804 B13R1.369 COCCSc1ncc(cc1F)O 62a_100000233755_100000063512 [0,2,0,0,0,0|2,0,0]=4 14805 B13R1.369 COCCSc1ncc(cc1N)Br 62a_100000233755_100010090555 [0,2,0,0,0,0|2,0,0]=4 14806 B13R1.369 COCCSc1ncc(cc1N)Br 62a_100010090555_100000233755 [0,2,0,0,0,0|2,0,0]=4 14807 B13R1.369 COCCSc1ncc(cc1N)C 62a_100000233755_100000733613 [0,2,0,0,0,0|2,0,0]=4 14808 B13R1.369 COCCSc1ncc(cc1N)C 62a_100000733613_100000233755 [0,2,0,0,0,0|2,0,0]=4 14809 B13R1.369 COCCSc1ncc(cc1N)F 62a_100000233755_100009817643 [0,2,0,0,0,0|2,0,0]=4 14810 B13R1.369 COCCSc1ncc(cc1N)F 62a_100009817643_100000233755 [0,2,0,0,0,0|2,0,0]=4 14811 B13R1.369 COCCSc1ncc(cc1N)N 62a_100000233755_200000093520 [0,2,0,0,0,0|2,0,0]=4 14812 B13R1.369 COCCSc1ncc(cc1N)N 62a_200000093520_100000233755 [0,2,0,0,0,0|2,0,0]=4 14813 B13R1.369 COCCSc1ncc(cc1O)Br 62a_100000233755_100010210634 [0,2,0,0,0,0|2,0,0]=4 14814 B13R1.369 COCCSc1ncc(cc1O)Br 62a_100010210634_100000233755 [0,2,0,0,0,0|2,0,0]=4 14815 B13R1.369 COCCSc1ncc(cc1O)C 62a_100000233755_100012000487 [0,2,0,0,0,0|2,0,0]=4 14816 B13R1.369 COCCSc1ncc(cc1O)Cl 62a_100000233755_100010233512 [0,2,0,0,0,0|2,0,0]=4 14817 B13R1.369 COCCSc1ncc(cc1O)Cl 62a_100010233512_100000233755 [0,2,0,0,0,0|2,0,0]=4 14818 B13R1.369 COCCSc1ncc(cc1O)F 62a_100000233755_100000079967 [0,2,0,0,0,0|2,0,0]=4 14819 B13R1.369 COCCSc1ncc(cc1O)F 62a_100009820119_100000233755 [0,2,0,0,0,0|2,0,0]=4 14820 B13R1.369 COCSCc1ncc(cc1C)C 62a_100000766300_100016990036 [0,2,0,0,0,0|2,0,0]=4 14821 B13R1.369 COCSCc1ncc(cc1C)C 62a_100016990036_100000766300 [0,2,0,0,0,0|2,0,0]=4 14822 B13R1.369 COCSCc1ncc(cc1F)Cl 62a_100000766300_200009879301 [0,2,0,0,0,0|2,0,0]=4 14823 B13R1.369 COCSCc1ncc(cc1F)Cl 62a_200009879301_100000766300 [0,2,0,0,0,0|2,0,0]=4 14824 B13R1.369 CSCCOc1ncc(cc1Br)Br 34a_100000701035_100000212216 [0,2,0,0,0,0|2,0,0]=4 14825 B13R1.369 CSCCOc1ncc(cc1Br)C 34a_100000719714_100000212216 [0,2,0,0,0,0|2,0,0]=4 14826 B13R1.369 CSCCOc1ncc(cc1C)Br 34a_100000685391_100000212216 [0,2,0,0,0,0|2,0,0]=4 14827 B13R1.369 CSCCOc1ncc(cc1Cl)Br 34a_100012339560_100000212216 [0,2,0,0,0,0|2,0,0]=4 14828 B13R1.369 CSCCOc1ncc(cc1Cl)F 34a_100009847679_100000212216 [0,2,0,0,0,0|2,0,0]=4 14829 B13R1.369 CSCCOc1ncc(cc1F)Cl 34a_100011998252_100000212216 [0,2,0,0,0,0|2,0,0]=4 14830 B13R1.369 CSCCOc1ncc(cc1F)F 34a_100012025737_100000212216 [0,2,0,0,0,0|2,0,0]=4 14831 B13R1.369 CSCCOc1ncc(cc1N)Br 34a_100000743729_100000212216 [0,2,0,0,0,0|2,0,0]=4 14832 B13R1.369 CSCCOc1ncc(cc1N)C 34a_100012000488_100000212216 [0,2,0,0,0,0|2,0,0]=4 14833 B13R1.369 CSCCOc1ncc(cc1N)Cl 34a_100011998249_100000212216 [0,2,0,0,0,0|2,0,0]=4 14834 B13R1.369 CSCCSc1ncc(cc1Br)Cl 62a_100000212216_100012154958 [0,2,0,0,0,0|2,0,0]=4 14835 B13R1.369 CSCCSc1ncc(cc1Br)Cl 62a_100012154958_100000751147 [0,2,0,0,0,0|2,0,0]=4 14836 B13R1.369 CSCCSc1ncc(cc1C)Br 62a_100000212216_100012353652 [0,2,0,0,0,0|2,0,0]=4 14837 B13R1.369 CSCCSc1ncc(cc1C)Br 62a_100012353652_100000751147 [0,2,0,0,0,0|2,0,0]=4 14838 B13R1.369 CSCCSc1ncc(cc1C)C 62a_100000212216_100009864548 [0,2,0,0,0,0|2,0,0]=4 14839 B13R1.369 CSCCSc1ncc(cc1C)C 62a_100009864548_100000751147 [0,2,0,0,0,0|2,0,0]=4 14840 B13R1.369 CSCCSc1ncc(cc1C)F 62a_100000212216_100009817009 [0,2,0,0,0,0|2,0,0]=4 14841 B13R1.369 CSCCSc1ncc(cc1C)F 62a_100009817009_100000751147 [0,2,0,0,0,0|2,0,0]=4 14842 B13R1.369 CSCCSc1ncc(cc1C)N 62a_100000212216_100000761747 [0,2,0,0,0,0|2,0,0]=4 14843 B13R1.369 CSCCSc1ncc(cc1C)N 62a_100000761747_100000751147 [0,2,0,0,0,0|2,0,0]=4 14844 B13R1.369 CSCCSc1ncc(cc1C)O 62a_100000212216_100012000486 [0,2,0,0,0,0|2,0,0]=4 14845 B13R1.369 CSCCSc1ncc(cc1C)O 62a_100012000486_100000751147 [0,2,0,0,0,0|2,0,0]=4 14846 B13R1.369 CSCCSc1ncc(cc1F)Br 62a_100000212216_100012348576 [0,2,0,0,0,0|2,0,0]=4 14847 B13R1.369 CSCCSc1ncc(cc1F)Br 62a_100012348576_100000751147 [0,2,0,0,0,0|2,0,0]=4 14848 B13R1.369 CSCCSc1ncc(cc1F)C 62a_100000212216_100009819633 [0,2,0,0,0,0|2,0,0]=4 14849 B13R1.369 CSCCSc1ncc(cc1F)C 62a_100009819633_100000751147 [0,2,0,0,0,0|2,0,0]=4 14850 B13R1.369 CSCCSc1ncc(cc1F)Cl 62a_100000212216_100012348686 [0,2,0,0,0,0|2,0,0]=4 14851 B13R1.369 CSCCSc1ncc(cc1F)Cl 62a_100012348686_100000751147 [0,2,0,0,0,0|2,0,0]=4 14852 B13R1.369 CSCCSc1ncc(cc1F)F 62a_100000212216_100011219543 [0,2,0,0,0,0|2,0,0]=4 14853 B13R1.369 CSCCSc1ncc(cc1F)F 62a_100011219543_100000751147 [0,2,0,0,0,0|2,0,0]=4 14854 B13R1.369 CSCCSc1ncc(cc1F)N 62a_100000212216_100010280766 [0,2,0,0,0,0|2,0,0]=4 14855 B13R1.369 CSCCSc1ncc(cc1F)N 62a_100010280766_100000751147 [0,2,0,0,0,0|2,0,0]=4 14856 B13R1.369 CSCCSc1ncc(cc1F)O 62a_100000212216_100000063512 [0,2,0,0,0,0|2,0,0]=4 14857 B13R1.369 CSCCSc1ncc(cc1N)Br 62a_100000212216_100010090555 [0,2,0,0,0,0|2,0,0]=4 14858 B13R1.369 CSCCSc1ncc(cc1N)Br 62a_100010090555_100000751147 [0,2,0,0,0,0|2,0,0]=4 14859 B13R1.369 CSCCSc1ncc(cc1N)C 62a_100000212216_100000733613 [0,2,0,0,0,0|2,0,0]=4 14860 B13R1.369 CSCCSc1ncc(cc1N)C 62a_100000733613_100000751147 [0,2,0,0,0,0|2,0,0]=4 14861 B13R1.369 CSCCSc1ncc(cc1N)F 62a_100000212216_100009817643 [0,2,0,0,0,0|2,0,0]=4 14862 B13R1.369 CSCCSc1ncc(cc1N)F 62a_100009817643_100000751147 [0,2,0,0,0,0|2,0,0]=4 14863 B13R1.369 CSCCSc1ncc(cc1N)N 62a_100000212216_200000093520 [0,2,0,0,0,0|2,0,0]=4 14864 B13R1.369 CSCCSc1ncc(cc1N)N 62a_200000093520_100000751147 [0,2,0,0,0,0|2,0,0]=4 14865 B13R1.369 CSCCSc1ncc(cc1O)Br 62a_100000212216_100010210634 [0,2,0,0,0,0|2,0,0]=4 14866 B13R1.369 CSCCSc1ncc(cc1O)Br 62a_100010210634_100000751147 [0,2,0,0,0,0|2,0,0]=4 14867 B13R1.369 CSCCSc1ncc(cc1O)C 62a_100000212216_100012000487 [0,2,0,0,0,0|2,0,0]=4 14868 B13R1.369 CSCCSc1ncc(cc1O)Cl 62a_100000212216_100010233512 [0,2,0,0,0,0|2,0,0]=4 14869 B13R1.369 CSCCSc1ncc(cc1O)Cl 62a_100010233512_100000751147 [0,2,0,0,0,0|2,0,0]=4 14870 B13R1.369 CSCCSc1ncc(cc1O)F 62a_100000212216_100000079967 [0,2,0,0,0,0|2,0,0]=4 14871 B13R1.369 CSCCSc1ncc(cc1O)F 62a_100009820119_100000751147 [0,2,0,0,0,0|2,0,0]=4 14872 B13R1.369 CSCNCc1ncc(cc1Cl)Br 34a_100025703182_100011218213 [0,2,0,0,0,0|2,0,0]=4 14873 B13R1.369 CSCNCc1ncc(cc1Cl)F 34a_100020639648_100011218213 [0,2,0,0,0,0|2,0,0]=4 14874 B13R1.369 CSCNCc1ncc(cc1F)Br 34a_100015188786_100011218213 [0,2,0,0,0,0|2,0,0]=4 14875 B13R1.369 CSCNCc1ncc(cc1F)F 34a_100015188779_100011218213 [0,2,0,0,0,0|2,0,0]=4 14876 B13R1.369 CSCOCc1ncc(cc1Br)Br 34a_100012354961_100011218213 [0,2,0,0,0,0|2,0,0]=4 14877 B13R1.369 CSCOCc1ncc(cc1Br)Cl 34a_100010065237_100011218213 [0,2,0,0,0,0|2,0,0]=4 14878 B13R1.369 CSCOCc1ncc(cc1C)Br 34a_100010116297_100011218213 [0,2,0,0,0,0|2,0,0]=4 14879 B13R1.369 CSCOCc1ncc(cc1C)C 34a_100012000483_100011218213 [0,2,0,0,0,0|2,0,0]=4 14880 B13R1.369 CSCOCc1ncc(cc1Cl)Br 34a_100010065239_100011218213 [0,2,0,0,0,0|2,0,0]=4 14881 B13R1.369 CSCOCc1ncc(cc1Cl)Cl 34a_100103146734_100011218213 [0,2,0,0,0,0|2,0,0]=4 14882 B13R1.369 CSCOCc1ncc(cc1F)Br 34a_100010065252_100011218213 [0,2,0,0,0,0|2,0,0]=4 14883 B13R1.369 CSCOCc1ncc(cc1F)Cl 34a_100009885607_100011218213 [0,2,0,0,0,0|2,0,0]=4 14884 B13R1.369 CSCOCc1ncc(cc1F)F 34a_100000104222_100011218213 [0,2,0,0,0,0|2,0,0]=4 14885 B13R1.369 CSCSCc1ncc(cc1C)C 62a_100011218213_100016990036 [0,2,0,0,0,0|2,0,0]=4 14886 B13R1.369 CSCSCc1ncc(cc1C)C 62a_100016990036_100011218213 [0,2,0,0,0,0|2,0,0]=4 14887 B13R1.369 CSCSCc1ncc(cc1F)Cl 62a_100011218213_200009879301 [0,2,0,0,0,0|2,0,0]=4 14888 B13R1.369 CSCSCc1ncc(cc1F)Cl 62a_200009879301_100011218213 [0,2,0,0,0,0|2,0,0]=4 14889 B13R1.369 Cc1cc(cnc1CNCCO)Br 207a_100000210304_100010185443 [0,2,0,0,0,0|2,0,0]=4 14890 B13R1.369 Cc1cc(cnc1CNCCO)Br 270004a_100000210304_100010185443 [0,2,0,0,0,0|2,0,0]=4 14891 B13R1.369 Cc1cc(cnc1CNCCO)Cl 207a_100000210304_200009887756 [0,2,0,0,0,0|2,0,0]=4 14892 B13R1.369 Cc1cc(cnc1CNCCO)Cl 270004a_100000210304_200009887756 [0,2,0,0,0,0|2,0,0]=4 14893 B13R1.369 Cc1cc(cnc1COCCF)Br 34a_100010116297_100011217306 [0,2,0,0,0,0|2,0,0]=4 14894 B13R1.369 Cc1cc(cnc1COCCF)Br 7a_100010116297_100011217306 [0,2,0,0,0,0|2,0,0]=4 14895 B13R1.369 Cc1cc(cnc1COCCO)Br 34a_100010116297_100000211926 [0,2,0,0,0,0|2,0,0]=4 14896 B13R1.369 Cc1cc(cnc1COCCO)Br 7a_100010116297_100000211926 [0,2,0,0,0,0|2,0,0]=4 14897 B13R1.369 Cc1cc(cnc1OCCCF)Br 34a_100000685391_100011934791 [0,2,0,0,0,0|2,0,0]=4 14898 B13R1.369 Cc1cc(cnc1OCCCO)Br 34a_100000685391_100000230001 [0,2,0,0,0,0|2,0,0]=4 14899 B13R1.369 Cc1cc(cnc1SCCCF)Br 62a_100011934791_100012353652 [0,2,0,0,0,0|2,0,0]=4 14900 B13R1.369 Cc1cc(cnc1SCCCF)Br 62a_100012353652_100011934791 [0,2,0,0,0,0|2,0,0]=4 14901 B13R1.369 Cc1cc(cnc1SCCCF)F 62a_100009817009_100011934791 [0,2,0,0,0,0|2,0,0]=4 14902 B13R1.369 Cc1cc(cnc1SCCCF)F 62a_100011934791_100009817009 [0,2,0,0,0,0|2,0,0]=4 14903 B13R1.369 Cc1cc(cnc1SCCCF)N 62a_100000761747_100011934791 [0,2,0,0,0,0|2,0,0]=4 14904 B13R1.369 Cc1cc(cnc1SCCCF)N 62a_100011934791_100000761747 [0,2,0,0,0,0|2,0,0]=4 14905 B13R1.369 Cc1cc(cnc1SCCCF)O 62a_100011934791_100012000486 [0,2,0,0,0,0|2,0,0]=4 14906 B13R1.369 Cc1cc(cnc1SCCCF)O 62a_100012000486_100011934791 [0,2,0,0,0,0|2,0,0]=4 14907 B13R1.369 Cc1cc(cnc1SCCCO)Br 62a_100011215043_100012353652 [0,2,0,0,0,0|2,0,0]=4 14908 B13R1.369 Cc1cc(cnc1SCCCO)Br 62a_100012353652_100011215043 [0,2,0,0,0,0|2,0,0]=4 14909 B13R1.369 Cc1cc(cnc1SCCCO)F 62a_100009817009_100011215043 [0,2,0,0,0,0|2,0,0]=4 14910 B13R1.369 Cc1cc(cnc1SCCCO)F 62a_100011215043_100009817009 [0,2,0,0,0,0|2,0,0]=4 14911 B13R1.369 Cc1cc(cnc1SCCCO)N 62a_100000761747_100011215043 [0,2,0,0,0,0|2,0,0]=4 14912 B13R1.369 Cc1cc(cnc1SCCCO)N 62a_100011215043_100000761747 [0,2,0,0,0,0|2,0,0]=4 14913 B13R1.369 Cc1cc(cnc1SCCCO)O 62a_100011215043_100012000486 [0,2,0,0,0,0|2,0,0]=4 14914 B13R1.369 Cc1cc(cnc1SCCCO)O 62a_100012000486_100011215043 [0,2,0,0,0,0|2,0,0]=4 14915 B13R1.369 Cc1cnc(c(c1)Br)OCCCF 34a_100000719714_100011934791 [0,2,0,0,0,0|2,0,0]=4 14916 B13R1.369 Cc1cnc(c(c1)Br)OCCCO 34a_100000719714_100000230001 [0,2,0,0,0,0|2,0,0]=4 14917 B13R1.369 Cc1cnc(c(c1)C)CNCCF 34a_100000724931_100016990036 [0,2,0,0,0,0|2,0,0]=4 14918 B13R1.369 Cc1cnc(c(c1)C)CNCCO 2230a_100016997473_100016990036 [0,2,0,0,0,0|2,0,0]=4 14919 B13R1.369 Cc1cnc(c(c1)C)CNCCO 34a_100016990907_100016990036 [0,2,0,0,0,0|2,0,0]=4 14920 B13R1.369 Cc1cnc(c(c1)C)COCCBr 34a_100000211926_100016990036 [0,2,0,0,0,0|2,0,0]=4 14921 B13R1.369 Cc1cnc(c(c1)C)COCCF 34a_100012000483_100011217306 [0,2,0,0,0,0|2,0,0]=4 14922 B13R1.369 Cc1cnc(c(c1)C)COCCF 7a_100012000483_100011217306 [0,2,0,0,0,0|2,0,0]=4 14923 B13R1.369 Cc1cnc(c(c1)C)COCCN 34a_100000210304_100016990036 [0,2,0,0,0,0|2,0,0]=4 14924 B13R1.369 Cc1cnc(c(c1)C)COCCO 34a_100012000483_100000211926 [0,2,0,0,0,0|2,0,0]=4 14925 B13R1.369 Cc1cnc(c(c1)C)COCCO 7a_100012000483_100000211926 [0,2,0,0,0,0|2,0,0]=4 14926 B13R1.369 Cc1cnc(c(c1)C)CSCCF 62a_100011217306_100016990036 [0,2,0,0,0,0|2,0,0]=4 14927 B13R1.369 Cc1cnc(c(c1)C)CSCCF 62a_100016990036_100011217306 [0,2,0,0,0,0|2,0,0]=4 14928 B13R1.369 Cc1cnc(c(c1)C)CSCCO 62a_100000211926_100016990036 [0,2,0,0,0,0|2,0,0]=4 14929 B13R1.369 Cc1cnc(c(c1)C)CSCCO 62a_100016990036_100000211926 [0,2,0,0,0,0|2,0,0]=4 14930 B13R1.369 Cc1cnc(c(c1)C)SCCCF 62a_100009864548_100011934791 [0,2,0,0,0,0|2,0,0]=4 14931 B13R1.369 Cc1cnc(c(c1)C)SCCCF 62a_100011934791_100009864548 [0,2,0,0,0,0|2,0,0]=4 14932 B13R1.369 Cc1cnc(c(c1)C)SCCCO 62a_100009864548_100011215043 [0,2,0,0,0,0|2,0,0]=4 14933 B13R1.369 Cc1cnc(c(c1)C)SCCCO 62a_100011215043_100009864548 [0,2,0,0,0,0|2,0,0]=4 14934 B13R1.369 Cc1cnc(c(c1)F)CNCCO 207a_100000210304_100009845184 [0,2,0,0,0,0|2,0,0]=4 14935 B13R1.369 Cc1cnc(c(c1)F)CNCCO 270004a_100000210304_100009845184 [0,2,0,0,0,0|2,0,0]=4 14936 B13R1.369 Cc1cnc(c(c1)F)SCCCF 62a_100009819633_100011934791 [0,2,0,0,0,0|2,0,0]=4 14937 B13R1.369 Cc1cnc(c(c1)F)SCCCF 62a_100011934791_100009819633 [0,2,0,0,0,0|2,0,0]=4 14938 B13R1.369 Cc1cnc(c(c1)F)SCCCO 62a_100009819633_100011215043 [0,2,0,0,0,0|2,0,0]=4 14939 B13R1.369 Cc1cnc(c(c1)F)SCCCO 62a_100011215043_100009819633 [0,2,0,0,0,0|2,0,0]=4 14940 B13R1.369 Cc1cnc(c(c1)N)OCCCF 34a_100012000488_100011934791 [0,2,0,0,0,0|2,0,0]=4 14941 B13R1.369 Cc1cnc(c(c1)N)OCCCO 34a_100012000488_100000230001 [0,2,0,0,0,0|2,0,0]=4 14942 B13R1.369 Cc1cnc(c(c1)N)SCCCF 62a_100000733613_100011934791 [0,2,0,0,0,0|2,0,0]=4 14943 B13R1.369 Cc1cnc(c(c1)N)SCCCF 62a_100011934791_100000733613 [0,2,0,0,0,0|2,0,0]=4 14944 B13R1.369 Cc1cnc(c(c1)N)SCCCO 62a_100000733613_100011215043 [0,2,0,0,0,0|2,0,0]=4 14945 B13R1.369 Cc1cnc(c(c1)N)SCCCO 62a_100011215043_100000733613 [0,2,0,0,0,0|2,0,0]=4 14946 B13R1.369 Cc1cnc(c(c1)O)SCCCF 62a_100011934791_100012000487 [0,2,0,0,0,0|2,0,0]=4 14947 B13R1.369 Cc1cnc(c(c1)O)SCCCO 62a_100011215043_100012000487 [0,2,0,0,0,0|2,0,0]=4 14948 B13R1.369 FCCCOc1ncc(cc1Br)Br 34a_100000701035_100011934791 [0,2,0,0,0,0|2,0,0]=4 14949 B13R1.369 FCCCOc1ncc(cc1Cl)Br 34a_100012339560_100011934791 [0,2,0,0,0,0|2,0,0]=4 14950 B13R1.369 FCCCOc1ncc(cc1Cl)F 34a_100009847679_100011934791 [0,2,0,0,0,0|2,0,0]=4 14951 B13R1.369 FCCCOc1ncc(cc1F)Cl 34a_100011998252_100011934791 [0,2,0,0,0,0|2,0,0]=4 14952 B13R1.369 FCCCOc1ncc(cc1F)F 34a_100012025737_100011934791 [0,2,0,0,0,0|2,0,0]=4 14953 B13R1.369 FCCCSc1ncc(cc1Br)Cl 62a_100011934791_100012154958 [0,2,0,0,0,0|2,0,0]=4 14954 B13R1.369 FCCCSc1ncc(cc1Br)Cl 62a_100012154958_100011934791 [0,2,0,0,0,0|2,0,0]=4 14955 B13R1.369 FCCCSc1ncc(cc1F)Br 62a_100011934791_100012348576 [0,2,0,0,0,0|2,0,0]=4 14956 B13R1.369 FCCCSc1ncc(cc1F)Br 62a_100012348576_100011934791 [0,2,0,0,0,0|2,0,0]=4 14957 B13R1.369 FCCCSc1ncc(cc1F)Cl 62a_100011934791_100012348686 [0,2,0,0,0,0|2,0,0]=4 14958 B13R1.369 FCCCSc1ncc(cc1F)Cl 62a_100012348686_100011934791 [0,2,0,0,0,0|2,0,0]=4 14959 B13R1.369 FCCCSc1ncc(cc1F)F 62a_100011219543_100011934791 [0,2,0,0,0,0|2,0,0]=4 14960 B13R1.369 FCCCSc1ncc(cc1F)F 62a_100011934791_100011219543 [0,2,0,0,0,0|2,0,0]=4 14961 B13R1.369 FCCNCc1ncc(cc1Cl)Br 34a_100025703182_100011217306 [0,2,0,0,0,0|2,0,0]=4 14962 B13R1.369 FCCNCc1ncc(cc1Cl)F 34a_100020639648_100011217306 [0,2,0,0,0,0|2,0,0]=4 14963 B13R1.369 FCCNCc1ncc(cc1F)Br 34a_100015188786_100011217306 [0,2,0,0,0,0|2,0,0]=4 14964 B13R1.369 FCCNCc1ncc(cc1F)Cl 34a_100000724931_200009879301 [0,2,0,0,0,0|2,0,0]=4 14965 B13R1.369 FCCNCc1ncc(cc1F)F 34a_100015188779_100011217306 [0,2,0,0,0,0|2,0,0]=4 14966 B13R1.369 FCCOCc1ncc(cc1Br)Br 34a_100012354961_100011217306 [0,2,0,0,0,0|2,0,0]=4 14967 B13R1.369 FCCOCc1ncc(cc1Br)Br 7a_100012354961_100011217306 [0,2,0,0,0,0|2,0,0]=4 14968 B13R1.369 FCCOCc1ncc(cc1Br)Cl 34a_100010065237_100011217306 [0,2,0,0,0,0|2,0,0]=4 14969 B13R1.369 FCCOCc1ncc(cc1Br)Cl 7a_100010065237_100011217306 [0,2,0,0,0,0|2,0,0]=4 14970 B13R1.369 FCCOCc1ncc(cc1Cl)Br 34a_100010065239_100011217306 [0,2,0,0,0,0|2,0,0]=4 14971 B13R1.369 FCCOCc1ncc(cc1Cl)Br 7a_100010065239_100011217306 [0,2,0,0,0,0|2,0,0]=4 14972 B13R1.369 FCCOCc1ncc(cc1Cl)Cl 34a_100103146734_100011217306 [0,2,0,0,0,0|2,0,0]=4 14973 B13R1.369 FCCOCc1ncc(cc1Cl)Cl 7a_100103146734_100011217306 [0,2,0,0,0,0|2,0,0]=4 14974 B13R1.369 FCCOCc1ncc(cc1F)Br 34a_100010065252_100011217306 [0,2,0,0,0,0|2,0,0]=4 14975 B13R1.369 FCCOCc1ncc(cc1F)Br 7a_100010065252_100011217306 [0,2,0,0,0,0|2,0,0]=4 14976 B13R1.369 FCCOCc1ncc(cc1F)Cl 34a_100009885607_100011217306 [0,2,0,0,0,0|2,0,0]=4 14977 B13R1.369 FCCOCc1ncc(cc1F)Cl 7a_100009885607_100011217306 [0,2,0,0,0,0|2,0,0]=4 14978 B13R1.369 FCCOCc1ncc(cc1F)F 34a_100000104222_100011217306 [0,2,0,0,0,0|2,0,0]=4 14979 B13R1.369 FCCOCc1ncc(cc1F)F 7a_100000104222_100011217306 [0,2,0,0,0,0|2,0,0]=4 14980 B13R1.369 FCCSCc1ncc(cc1F)Cl 62a_100011217306_200009879301 [0,2,0,0,0,0|2,0,0]=4 14981 B13R1.369 FCCSCc1ncc(cc1F)Cl 62a_200009879301_100011217306 [0,2,0,0,0,0|2,0,0]=4 14982 B13R1.369 Fc1cc(cnc1COCCBr)Cl 34a_100000211926_200009879301 [0,2,0,0,0,0|2,0,0]=4 14983 B13R1.369 NCCOCc1ncc(cc1F)Cl 34a_100000210304_200009879301 [0,2,0,0,0,0|2,0,0]=4 14984 B13R1.369 Nc1cc(cnc1OCCCF)Br 34a_100000743729_100011934791 [0,2,0,0,0,0|2,0,0]=4 14985 B13R1.369 Nc1cc(cnc1OCCCF)Cl 34a_100011998249_100011934791 [0,2,0,0,0,0|2,0,0]=4 14986 B13R1.369 Nc1cc(cnc1OCCCO)Br 34a_100000743729_100000230001 [0,2,0,0,0,0|2,0,0]=4 14987 B13R1.369 Nc1cc(cnc1OCCCO)Cl 34a_100011998249_100000230001 [0,2,0,0,0,0|2,0,0]=4 14988 B13R1.369 Nc1cc(cnc1SCCCF)Br 62a_100010090555_100011934791 [0,2,0,0,0,0|2,0,0]=4 14989 B13R1.369 Nc1cc(cnc1SCCCF)Br 62a_100011934791_100010090555 [0,2,0,0,0,0|2,0,0]=4 14990 B13R1.369 Nc1cc(cnc1SCCCF)F 62a_100009817643_100011934791 [0,2,0,0,0,0|2,0,0]=4 14991 B13R1.369 Nc1cc(cnc1SCCCF)F 62a_100011934791_100009817643 [0,2,0,0,0,0|2,0,0]=4 14992 B13R1.369 Nc1cc(cnc1SCCCO)Br 62a_100010090555_100011215043 [0,2,0,0,0,0|2,0,0]=4 14993 B13R1.369 Nc1cc(cnc1SCCCO)Br 62a_100011215043_100010090555 [0,2,0,0,0,0|2,0,0]=4 14994 B13R1.369 Nc1cc(cnc1SCCCO)F 62a_100009817643_100011215043 [0,2,0,0,0,0|2,0,0]=4 14995 B13R1.369 Nc1cc(cnc1SCCCO)F 62a_100011215043_100009817643 [0,2,0,0,0,0|2,0,0]=4 14996 B13R1.369 Nc1cnc(c(c1)F)SCCCF 62a_100010280766_100011934791 [0,2,0,0,0,0|2,0,0]=4 14997 B13R1.369 Nc1cnc(c(c1)F)SCCCF 62a_100011934791_100010280766 [0,2,0,0,0,0|2,0,0]=4 14998 B13R1.369 Nc1cnc(c(c1)F)SCCCO 62a_100010280766_100011215043 [0,2,0,0,0,0|2,0,0]=4 14999 B13R1.369 Nc1cnc(c(c1)F)SCCCO 62a_100011215043_100010280766 [0,2,0,0,0,0|2,0,0]=4 15000 B13R1.369 Nc1cnc(c(c1)N)SCCCF 62a_100011934791_200000093520 [0,2,0,0,0,0|2,0,0]=4 15001 B13R1.369 Nc1cnc(c(c1)N)SCCCF 62a_200000093520_100011934791 [0,2,0,0,0,0|2,0,0]=4 15002 B13R1.369 Nc1cnc(c(c1)N)SCCCO 62a_100011215043_200000093520 [0,2,0,0,0,0|2,0,0]=4 15003 B13R1.369 Nc1cnc(c(c1)N)SCCCO 62a_200000093520_100011215043 [0,2,0,0,0,0|2,0,0]=4 15004 B13R1.369 OCCCOc1ncc(cc1Br)Br 34a_100000701035_100000230001 [0,2,0,0,0,0|2,0,0]=4 15005 B13R1.369 OCCCOc1ncc(cc1Cl)Br 34a_100012339560_100000230001 [0,2,0,0,0,0|2,0,0]=4 15006 B13R1.369 OCCCOc1ncc(cc1Cl)F 34a_100009847679_100000230001 [0,2,0,0,0,0|2,0,0]=4 15007 B13R1.369 OCCCOc1ncc(cc1F)Cl 34a_100011998252_100000230001 [0,2,0,0,0,0|2,0,0]=4 15008 B13R1.369 OCCCOc1ncc(cc1F)F 34a_100012025737_100000230001 [0,2,0,0,0,0|2,0,0]=4 15009 B13R1.369 OCCCSc1ncc(cc1Br)Cl 62a_100011215043_100012154958 [0,2,0,0,0,0|2,0,0]=4 15010 B13R1.369 OCCCSc1ncc(cc1Br)Cl 62a_100012154958_100011215043 [0,2,0,0,0,0|2,0,0]=4 15011 B13R1.369 OCCCSc1ncc(cc1F)Br 62a_100011215043_100012348576 [0,2,0,0,0,0|2,0,0]=4 15012 B13R1.369 OCCCSc1ncc(cc1F)Br 62a_100012348576_100011215043 [0,2,0,0,0,0|2,0,0]=4 15013 B13R1.369 OCCCSc1ncc(cc1F)Cl 62a_100011215043_100012348686 [0,2,0,0,0,0|2,0,0]=4 15014 B13R1.369 OCCCSc1ncc(cc1F)Cl 62a_100012348686_100011215043 [0,2,0,0,0,0|2,0,0]=4 15015 B13R1.369 OCCCSc1ncc(cc1F)F 62a_100011215043_100011219543 [0,2,0,0,0,0|2,0,0]=4 15016 B13R1.369 OCCCSc1ncc(cc1F)F 62a_100011219543_100011215043 [0,2,0,0,0,0|2,0,0]=4 15017 B13R1.369 OCCCSc1ncc(cc1F)O 62a_100011215043_100000063512 [0,2,0,0,0,0|2,0,0]=4 15018 B13R1.369 OCCCSc1ncc(cc1O)Br 62a_100010210634_100011215043 [0,2,0,0,0,0|2,0,0]=4 15019 B13R1.369 OCCCSc1ncc(cc1O)Br 62a_100011215043_100010210634 [0,2,0,0,0,0|2,0,0]=4 15020 B13R1.369 OCCCSc1ncc(cc1O)Cl 62a_100010233512_100011215043 [0,2,0,0,0,0|2,0,0]=4 15021 B13R1.369 OCCCSc1ncc(cc1O)Cl 62a_100011215043_100010233512 [0,2,0,0,0,0|2,0,0]=4 15022 B13R1.369 OCCCSc1ncc(cc1O)F 62a_100009820119_100011215043 [0,2,0,0,0,0|2,0,0]=4 15023 B13R1.369 OCCCSc1ncc(cc1O)F 62a_100011215043_100000079967 [0,2,0,0,0,0|2,0,0]=4 15024 B13R1.369 OCCNCc1ncc(cc1Br)Br 207a_100000210304_100000688198 [0,2,0,0,0,0|2,0,0]=4 15025 B13R1.369 OCCNCc1ncc(cc1Br)Br 270004a_100000210304_100000688198 [0,2,0,0,0,0|2,0,0]=4 15026 B13R1.369 OCCNCc1ncc(cc1Br)Cl 207a_100000210304_100010064872 [0,2,0,0,0,0|2,0,0]=4 15027 B13R1.369 OCCNCc1ncc(cc1Br)Cl 270004a_100000210304_100010064872 [0,2,0,0,0,0|2,0,0]=4 15028 B13R1.369 OCCNCc1ncc(cc1Cl)Br 207a_100000210304_100009814801 [0,2,0,0,0,0|2,0,0]=4 15029 B13R1.369 OCCNCc1ncc(cc1Cl)Br 270004a_100000210304_100009814801 [0,2,0,0,0,0|2,0,0]=4 15030 B13R1.369 OCCNCc1ncc(cc1Cl)Br 34a_100025703182_100000211926 [0,2,0,0,0,0|2,0,0]=4 15031 B13R1.369 OCCNCc1ncc(cc1Cl)Cl 207a_100000210304_100011361609 [0,2,0,0,0,0|2,0,0]=4 15032 B13R1.369 OCCNCc1ncc(cc1Cl)Cl 270004a_100000210304_100011361609 [0,2,0,0,0,0|2,0,0]=4 15033 B13R1.369 OCCNCc1ncc(cc1Cl)F 34a_100020639648_100000211926 [0,2,0,0,0,0|2,0,0]=4 15034 B13R1.369 OCCNCc1ncc(cc1F)Br 207a_100000210304_100010180630 [0,2,0,0,0,0|2,0,0]=4 15035 B13R1.369 OCCNCc1ncc(cc1F)Br 270004a_100000210304_100010180630 [0,2,0,0,0,0|2,0,0]=4 15036 B13R1.369 OCCNCc1ncc(cc1F)Br 34a_100015188786_100000211926 [0,2,0,0,0,0|2,0,0]=4 15037 B13R1.369 OCCNCc1ncc(cc1F)Cl 207a_100000210304_100009858488 [0,2,0,0,0,0|2,0,0]=4 15038 B13R1.369 OCCNCc1ncc(cc1F)Cl 2230a_100016997473_200009879301 [0,2,0,0,0,0|2,0,0]=4 15039 B13R1.369 OCCNCc1ncc(cc1F)Cl 270004a_100000210304_100009858488 [0,2,0,0,0,0|2,0,0]=4 15040 B13R1.369 OCCNCc1ncc(cc1F)Cl 34a_100016990907_200009879301 [0,2,0,0,0,0|2,0,0]=4 15041 B13R1.369 OCCNCc1ncc(cc1F)F 34a_100015188779_100000211926 [0,2,0,0,0,0|2,0,0]=4 15042 B13R1.369 OCCOCc1ncc(cc1Br)Br 34a_100012354961_100000211926 [0,2,0,0,0,0|2,0,0]=4 15043 B13R1.369 OCCOCc1ncc(cc1Br)Br 7a_100012354961_100000211926 [0,2,0,0,0,0|2,0,0]=4 15044 B13R1.369 OCCOCc1ncc(cc1Br)Cl 34a_100010065237_100000211926 [0,2,0,0,0,0|2,0,0]=4 15045 B13R1.369 OCCOCc1ncc(cc1Br)Cl 7a_100010065237_100000211926 [0,2,0,0,0,0|2,0,0]=4 15046 B13R1.369 OCCOCc1ncc(cc1Cl)Br 34a_100010065239_100000211926 [0,2,0,0,0,0|2,0,0]=4 15047 B13R1.369 OCCOCc1ncc(cc1Cl)Br 7a_100010065239_100000211926 [0,2,0,0,0,0|2,0,0]=4 15048 B13R1.369 OCCOCc1ncc(cc1Cl)Cl 34a_100103146734_100000211926 [0,2,0,0,0,0|2,0,0]=4 15049 B13R1.369 OCCOCc1ncc(cc1Cl)Cl 7a_100103146734_100000211926 [0,2,0,0,0,0|2,0,0]=4 15050 B13R1.369 OCCOCc1ncc(cc1F)Br 34a_100010065252_100000211926 [0,2,0,0,0,0|2,0,0]=4 15051 B13R1.369 OCCOCc1ncc(cc1F)Br 7a_100010065252_100000211926 [0,2,0,0,0,0|2,0,0]=4 15052 B13R1.369 OCCOCc1ncc(cc1F)Cl 34a_100009885607_100000211926 [0,2,0,0,0,0|2,0,0]=4 15053 B13R1.369 OCCOCc1ncc(cc1F)Cl 7a_100009885607_100000211926 [0,2,0,0,0,0|2,0,0]=4 15054 B13R1.369 OCCOCc1ncc(cc1F)F 34a_100000104222_100000211926 [0,2,0,0,0,0|2,0,0]=4 15055 B13R1.369 OCCOCc1ncc(cc1F)F 7a_100000104222_100000211926 [0,2,0,0,0,0|2,0,0]=4 15056 B13R1.369 OCCSCc1ncc(cc1F)Cl 62a_100000211926_200009879301 [0,2,0,0,0,0|2,0,0]=4 15057 B13R1.369 OCCSCc1ncc(cc1F)Cl 62a_200009879301_100000211926 [0,2,0,0,0,0|2,0,0]=4 15058 B13R1.369 Oc1cc(cnc1SCCCF)Br 62a_100010210634_100011934791 [0,2,0,0,0,0|2,0,0]=4 15059 B13R1.369 Oc1cc(cnc1SCCCF)Br 62a_100011934791_100010210634 [0,2,0,0,0,0|2,0,0]=4 15060 B13R1.369 Oc1cc(cnc1SCCCF)Cl 62a_100010233512_100011934791 [0,2,0,0,0,0|2,0,0]=4 15061 B13R1.369 Oc1cc(cnc1SCCCF)Cl 62a_100011934791_100010233512 [0,2,0,0,0,0|2,0,0]=4 15062 B13R1.369 Oc1cc(cnc1SCCCF)F 62a_100009820119_100011934791 [0,2,0,0,0,0|2,0,0]=4 15063 B13R1.369 Oc1cc(cnc1SCCCF)F 62a_100011934791_100000079967 [0,2,0,0,0,0|2,0,0]=4 15064 B13R1.369 Oc1cnc(c(c1)F)SCCCF 62a_100011934791_100000063512 [0,2,0,0,0,0|2,0,0]=4 15065 B13R1.369 [13CH3]OCCCc1ccc(cc1Cl)Cl 34a_200011713141_200025704644 [0,2,0,0,0,0|2,0,0]=4 15066 B13R1.369 [13CH3]OCCCc1ccc(cc1Cl)Cl 7a_200011713141_200025704644 [0,2,0,0,0,0|2,0,0]=4 15067 B13R1.369 [13CH3]OCCNc1ncc(cc1F)Cl 7a_200012004119_200025704644 [0,2,0,0,0,0|2,0,0]=4 15068 B13R1.371 C#Cc1ccc(cc1)CNCCC 207a_100020643023_100011361452 [0,2,0,0,0,0|2,0,0]=4 15069 B13R1.371 C#Cc1ccc(cc1)CNCCC 2230a_100015199678_100000210303 [0,2,0,0,0,0|2,0,0]=4 15070 B13R1.371 C#Cc1ccc(cc1)CNCCC 270004a_100020643023_100011361452 [0,2,0,0,0,0|2,0,0]=4 15071 B13R1.371 C#Cc1ccc(cc1)CNCCC 34a_100015199678_100000210303 [0,2,0,0,0,0|2,0,0]=4 15072 B13R1.371 C#Cc1ccc(cc1)COCCC 34a_100000054647_100000210303 [0,2,0,0,0,0|2,0,0]=4 15073 B13R1.371 C#Cc1ccc(cc1)COCCC 34a_100000210258_100000140223 [0,2,0,0,0,0|2,0,0]=4 15074 B13R1.371 C#Cc1ccc(cc1)COCCC 7a_100000054647_100000210303 [0,2,0,0,0,0|2,0,0]=4 15075 B13R1.371 C#Cc1ccc(cc1)CSCCC 62a_100000210303_100000140223 [0,2,0,0,0,0|2,0,0]=4 15076 B13R1.371 C#Cc1ccc(cc1)NCCCC 34a_100011215031_100000210210 [0,2,0,0,0,0|2,0,0]=4 15077 B13R1.371 C#Cc1ccc(nc1)OCCCC 34a_200009884252_100000210210 [0,2,0,0,0,0|1,0,0]=3 15078 B13R1.371 C#Cc1ccc(nc1)OCCCF 34a_200009884252_100011934791 [0,2,0,0,0,0|2,0,0]=4 15079 B13R1.371 C#Cc1ccc(nc1)OCCCO 34a_200009884252_100000230001 [0,2,0,0,0,0|2,0,0]=4 15080 B13R1.371 C#Cc1ccc(nc1)OCCOC 34a_200009884252_100011201679 [0,2,0,0,0,0|2,0,0]=4 15081 B13R1.371 C#Cc1ccc(nc1)OCCSC 34a_200009884252_100000212216 [0,2,0,0,0,0|2,0,0]=4 15082 B13R1.371 C=Cc1ccc(cc1)CCCCC 271570a_100011290941_100009813665 [0,2,0,0,0,0|1,0,0]=3 15083 B13R1.371 C=Cc1ccc(cc1)CCNCC 2230a_100015525214_100000142037 [0,2,0,0,0,0|2,0,0]=4 15084 B13R1.371 C=Cc1ccc(cc1)CCOCC 34a_100121572206_100000142037 [0,2,0,0,0,0|2,0,0]=4 15085 B13R1.371 C=Cc1ccc(cc1)CCSCC 62a_100000142037_100000210202 [0,2,0,0,0,0|2,0,0]=4 15086 B13R1.371 C=Cc1ccc(cc1)CCSCC 62a_100000210202_100000142037 [0,2,0,0,0,0|2,0,0]=4 15087 B13R1.371 C=Cc1ccc(cc1)CNCCC 270004a_100020643023_100011361436 [0,2,0,0,0,0|2,0,0]=4 15088 B13R1.371 C=Cc1ccc(cc1)CNCCC 34a_200011934891_100000210303 [0,2,0,0,0,0|2,0,0]=4 15089 B13R1.371 C=Cc1ccc(cc1)COCCC 34a_100000073583_100000210303 [0,2,0,0,0,0|2,0,0]=4 15090 B13R1.371 C=Cc1ccc(cc1)COCCC 34a_100000210258_100000034074 [0,2,0,0,0,0|2,0,0]=4 15091 B13R1.371 C=Cc1ccc(cc1)COCCC 7a_100000073583_100000210303 [0,2,0,0,0,0|2,0,0]=4 15092 B13R1.371 C=Cc1ccc(cc1)CSCCC 62a_100000034074_100000210303 [0,2,0,0,0,0|2,0,0]=4 15093 B13R1.371 C=Cc1ccc(cc1)CSCCC 62a_100000210303_100000034074 [0,2,0,0,0,0|2,0,0]=4 15094 B13R1.371 C=Cc1ccc(cc1)NCCCC 34a_100011218248_100000210210 [0,2,0,0,0,0|2,0,0]=4 15095 B13R1.371 C=Cc1ccc(cc1)OCCCC 271570a_100011290941_100000230682 [0,2,0,0,0,0|2,0,0]=4 15096 B13R1.371 C=Cc1ccc(cc1)OCCCC 34a_100000189437_100000210210 [0,2,0,0,0,0|2,0,0]=4 15097 B13R1.371 C=Cc1ccc(cc1)OCCCC 7a_100000189437_100000210211 [0,2,0,0,0,0|2,0,0]=4 15098 B13R1.371 C=Cc1ccc(cc1)SCCCC 62a_100000210211_100000748128 [0,2,0,0,0,0|2,0,0]=4 15099 B13R1.371 C=Cc1ccc(cc1)SCCCC 62a_100000748128_100000210210 [0,2,0,0,0,0|2,0,0]=4 15100 B13R1.371 C=Cc1ccc(nc1)NCCCC 271570a_100011290941_200011243049 [0,2,0,0,0,0|1,0,0]=3 15101 B13R1.371 C=Cc1ccc(nc1)OCCOC 271570a_100011290941_100000758753 [0,2,0,0,0,0|2,0,0]=4 15102 B13R1.371 C=Cc1ccc(nc1)SCCCC 62a_100000210211_103436540071 [0,2,0,0,0,0|1,0,0]=3 15103 B13R1.371 C=Cc1ccc(nc1)SCCCC 62a_103436540071_100000210210 [0,2,0,0,0,0|1,0,0]=3 15104 B13R1.371 C=Cc1ccc(nc1)SCCCF 62a_100011934791_103436540071 [0,2,0,0,0,0|2,0,0]=4 15105 B13R1.371 C=Cc1ccc(nc1)SCCCF 62a_103436540071_100011934791 [0,2,0,0,0,0|2,0,0]=4 15106 B13R1.371 C=Cc1ccc(nc1)SCCCO 62a_100011215043_103436540071 [0,2,0,0,0,0|2,0,0]=4 15107 B13R1.371 C=Cc1ccc(nc1)SCCCO 62a_103436540071_100011215043 [0,2,0,0,0,0|2,0,0]=4 15108 B13R1.371 C=Cc1ccc(nc1)SCCOC 62a_100000233755_103436540071 [0,2,0,0,0,0|2,0,0]=4 15109 B13R1.371 C=Cc1ccc(nc1)SCCOC 62a_103436540071_100000233755 [0,2,0,0,0,0|2,0,0]=4 15110 B13R1.371 C=Cc1ccc(nc1)SCCSC 62a_100000212216_103436540071 [0,2,0,0,0,0|2,0,0]=4 15111 B13R1.371 C=Cc1ccc(nc1)SCCSC 62a_103436540071_100000751147 [0,2,0,0,0,0|2,0,0]=4 15112 B13R1.371 C=Cc1ccc(nc1)SCOCC 62a_100000739092_103436540071 [0,2,0,0,0,0|2,0,0]=4 15113 B13R1.371 C=Cc1ccc(nc1)SCOCC 62a_103436540071_100000739092 [0,2,0,0,0,0|2,0,0]=4 15114 B13R1.371 C=Cc1ccc(nn1)NCCCC 271570a_100011290941_100000215281 [0,2,0,0,0,0|2,0,0]=4 15115 B13R1.371 C=Cc1cnc(nc1)NCCCC 271570a_100011290941_200011938772 [0,2,0,0,0,0|2,0,0]=4 15116 B13R1.371 C=Cc1cnc(nc1)NCCCC 27a_100000102301_200000143982 [0,2,0,0,0,0|2,0,0]=4 15117 B13R1.371 C=Cc1cnc(nc1)SCCCC 62a_100000210211_200000143982 [0,2,0,0,0,0|2,0,0]=4 15118 B13R1.371 C=Cc1cnc(nc1)SCCCC 62a_200000143982_100000210210 [0,2,0,0,0,0|2,0,0]=4 15119 B13R1.371 CCCC=Cc1ccc(cn1)C#N 271570a_100016258520_100000241038 [0,2,0,0,0,0|0,0,2]=4 15120 B13R1.371 CCCC=Cc1ccc(cn1)C=O 271570a_100016258520_100000766901 [0,2,0,0,0,0|0,0,2]=4 15121 B13R1.371 CCCC=Cc1ccc(cn1)CC 271570a_100016258520_100009843584 [0,2,0,0,0,0|0,0,2]=4 15122 B13R1.371 CCCC=Cc1ccc(cn1)CN 271570a_100016258520_100009817727 [0,2,0,0,0,0|0,0,2]=4 15123 B13R1.371 CCCC=Cc1ccc(cn1)CO 271570a_100016258520_100009816760 [0,2,0,0,0,0|0,0,2]=4 15124 B13R1.371 CCCC=Cc1ccc(cn1)NC 271570a_100016258520_100000764248 [0,2,0,0,0,0|0,0,2]=4 15125 B13R1.371 CCCC=Cc1ccc(cn1)NN 271570a_100016258520_100000119030 [0,2,0,0,0,0|0,0,2]=4 15126 B13R1.371 CCCC=Cc1ccc(cn1)OC 271570a_100016258520_100000755202 [0,2,0,0,0,0|0,0,2]=4 15127 B13R1.371 CCCC=Cc1ccc(cn1)SC 271570a_100016258520_100009820866 [0,2,0,0,0,0|0,0,2]=4 15128 B13R1.371 CCCCCc1ccc(cc1)NC 2230a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 15129 B13R1.371 CCCCCc1ccc(cc1)NC 34a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 15130 B13R1.371 CCCCCc1ccc(cc1)NC 7a_100000211775_200000210301 [0,2,0,0,0,0|1,0,0]=3 15131 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 2230a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 15132 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 34a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 15133 B13R1.371 CCCCCc1ccc(cc1)N[13CH3] 7a_100000211775_200025704644 [0,2,0,0,0,0|1,0,0]=3 15134 B13R1.371 CCCCCc1ccc(cc1)OC 34a_100000179804_200000210301 [0,2,0,0,0,0|1,0,0]=3 15135 B13R1.371 CCCCCc1ccc(cc1)OC 7a_100000179804_200000210301 [0,2,0,0,0,0|1,0,0]=3 15136 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 34a_100000179804_200025704644 [0,2,0,0,0,0|1,0,0]=3 15137 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 7a_100000179804_200025704644 [0,2,0,0,0,0|1,0,0]=3 15138 B13R1.371 CCCCCc1ccc(cc1)SC 62a_100009813665_200000210301 [0,2,0,0,0,0|1,0,0]=3 15139 B13R1.371 CCCCCc1ccc(cc1)SC 62a_200000210301_100009813665 [0,2,0,0,0,0|1,0,0]=3 15140 B13R1.371 CCCCCc1ccc(cc1)S[13CH3] 62a_100009813665_200025704644 [0,2,0,0,0,0|1,0,0]=3 15141 B13R1.371 CCCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100009813665 [0,2,0,0,0,0|1,0,0]=3 15142 B13R1.371 CCCCNc1ccc(cc1)C#N 34a_100000185469_100000210210 [0,2,0,0,0,0|2,0,0]=4 15143 B13R1.371 CCCCNc1ccc(cc1)CC 2230a_100000211069_100000210211 [0,2,0,0,0,0|2,0,0]=4 15144 B13R1.371 CCCCNc1ccc(cc1)CC 34a_100000211069_100000210210 [0,2,0,0,0,0|2,0,0]=4 15145 B13R1.371 CCCCNc1ccc(cc1)CO 2230a_100011215238_100000210211 [0,2,0,0,0,0|2,0,0]=4 15146 B13R1.371 CCCCNc1ccc(cc1)CO 34a_100011215238_100000210210 [0,2,0,0,0,0|2,0,0]=4 15147 B13R1.371 CCCCNc1ccc(cc1)OC 34a_100000184247_100000210210 [0,2,0,0,0,0|2,0,0]=4 15148 B13R1.371 CCCCNc1ccc(cc1)SC 34a_100000212337_100000210210 [0,2,0,0,0,0|2,0,0]=4 15149 B13R1.371 CCCCNc1ccc(cn1)C#N 27a_100000102301_100000241038 [0,2,0,0,0,0|1,0,0]=3 15150 B13R1.371 CCCCNc1ccc(cn1)SC 27a_100000102301_100009820866 [0,2,0,0,0,0|1,0,0]=3 15151 B13R1.371 CCCCNc1ccc(cn1)SC 62a_200000210301_200011243049 [0,2,0,0,0,0|1,0,0]=3 15152 B13R1.371 CCCCNc1ccc(cn1)SC 62a_200011243049_200000210301 [0,2,0,0,0,0|1,0,0]=3 15153 B13R1.371 CCCCNc1ccc(cn1)S[13CH3] 62a_200011243049_200025704644 [0,2,0,0,0,0|1,0,0]=3 15154 B13R1.371 CCCCNc1ccc(cn1)S[13CH3] 62a_200025704644_200011243049 [0,2,0,0,0,0|1,0,0]=3 15155 B13R1.371 CCCCNc1ccc(nn1)C#N 27a_100000102301_100000094388 [0,2,0,0,0,0|2,0,0]=4 15156 B13R1.371 CCCCNc1ccc(nn1)OC 27a_100000102301_100010231723 [0,2,0,0,0,0|2,0,0]=4 15157 B13R1.371 CCCCNc1ccc(nn1)SC 62a_200000210301_100000215281 [0,2,0,0,0,0|2,0,0]=4 15158 B13R1.371 CCCCNc1ccc(nn1)S[13CH3] 62a_200025704644_100000215281 [0,2,0,0,0,0|2,0,0]=4 15159 B13R1.371 CCCCNc1cnc(cn1)C#N 27a_100000102301_100000059812 [0,2,0,0,0,0|2,0,0]=4 15160 B13R1.371 CCCCNc1cnc(cn1)C=O 27a_100000102301_100012001714 [0,2,0,0,0,0|2,0,0]=4 15161 B13R1.371 CCCCNc1cnc(cn1)CO 27a_100000102301_100012002382 [0,2,0,0,0,0|2,0,0]=4 15162 B13R1.371 CCCCNc1cnc(cn1)SC 27a_100000102301_200012356277 [0,2,0,0,0,0|2,0,0]=4 15163 B13R1.371 CCCCNc1ncc(cn1)C#N 27a_100000102301_100000099682 [0,2,0,0,0,0|2,0,0]=4 15164 B13R1.371 CCCCNc1ncc(cn1)C=O 27a_100000102301_100000070856 [0,2,0,0,0,0|2,0,0]=4 15165 B13R1.371 CCCCNc1ncc(cn1)CC 27a_100000102301_100000033099 [0,2,0,0,0,0|2,0,0]=4 15166 B13R1.371 CCCCNc1ncc(cn1)CO 27a_100000102301_100009855073 [0,2,0,0,0,0|2,0,0]=4 15167 B13R1.371 CCCCNc1ncc(cn1)NC 27a_100102657272_200011938772 [0,2,0,0,0,0|2,0,0]=4 15168 B13R1.371 CCCCNc1ncc(cn1)OC 27a_100000102301_100000069167 [0,2,0,0,0,0|2,0,0]=4 15169 B13R1.371 CCCCNc1ncc(cn1)SC 27a_100000102301_100000718988 [0,2,0,0,0,0|2,0,0]=4 15170 B13R1.371 CCCCNc1ncc(cn1)SC 62a_200000210301_200011938772 [0,2,0,0,0,0|2,0,0]=4 15171 B13R1.371 CCCCNc1ncc(cn1)SC 62a_200011938772_200000210301 [0,2,0,0,0,0|2,0,0]=4 15172 B13R1.371 CCCCNc1ncc(cn1)S[13CH3] 62a_200011938772_200025704644 [0,2,0,0,0,0|2,0,0]=4 15173 B13R1.371 CCCCNc1ncc(cn1)S[13CH3] 62a_200025704644_200011938772 [0,2,0,0,0,0|2,0,0]=4 15174 B13R1.371 CCCCOc1ccc(cc1)C#N 34a_100000210344_100000210210 [0,2,0,0,0,0|2,0,0]=4 15175 B13R1.371 CCCCOc1ccc(cc1)C#N 7a_100000210344_100000210211 [0,2,0,0,0,0|2,0,0]=4 15176 B13R1.371 CCCCOc1ccc(cc1)CC 34a_100000211359_100000210210 [0,2,0,0,0,0|2,0,0]=4 15177 B13R1.371 CCCCOc1ccc(cc1)CC 7a_100000211359_100000210211 [0,2,0,0,0,0|2,0,0]=4 15178 B13R1.371 CCCCOc1ccc(cc1)CN 34a_100000185549_100000210210 [0,2,0,0,0,0|2,0,0]=4 15179 B13R1.371 CCCCOc1ccc(cc1)CO 34a_100000211755_100000210210 [0,2,0,0,0,0|2,0,0]=4 15180 B13R1.371 CCCCOc1ccc(cc1)NC 2230a_100011194258_200000210301 [0,2,0,0,0,0|2,0,0]=4 15181 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100000182112_100000210210 [0,2,0,0,0,0|2,0,0]=4 15182 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100011194258_200000210301 [0,2,0,0,0,0|2,0,0]=4 15183 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 2230a_100011194258_200025704644 [0,2,0,0,0,0|2,0,0]=4 15184 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 34a_100011194258_200025704644 [0,2,0,0,0,0|2,0,0]=4 15185 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100000210503_100000210210 [0,2,0,0,0,0|2,0,0]=4 15186 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100011215020_200000210301 [0,2,0,0,0,0|2,0,0]=4 15187 B13R1.371 CCCCOc1ccc(cc1)OC 7a_100011215020_200000210301 [0,2,0,0,0,0|2,0,0]=4 15188 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 34a_100011215020_200025704644 [0,2,0,0,0,0|2,0,0]=4 15189 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 7a_100011215020_200025704644 [0,2,0,0,0,0|2,0,0]=4 15190 B13R1.371 CCCCOc1ccc(cc1)SC 34a_100000211864_100000210210 [0,2,0,0,0,0|2,0,0]=4 15191 B13R1.371 CCCCOc1ccc(cc1)SC 62a_200000210301_100000230682 [0,2,0,0,0,0|2,0,0]=4 15192 B13R1.371 CCCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000230682 [0,2,0,0,0,0|2,0,0]=4 15193 B13R1.371 CCCCOc1ccc(cn1)CN 34a_100000757128_100000210210 [0,2,0,0,0,0|1,0,0]=3 15194 B13R1.371 CCCCOc1ccc(cn1)OC 34a_100012002028_100000210210 [0,2,0,0,0,0|1,0,0]=3 15195 B13R1.371 CCCCSc1ccc(cc1)C#N 62a_100000210211_100000184291 [0,2,0,0,0,0|2,0,0]=4 15196 B13R1.371 CCCCSc1ccc(cc1)C=O 62a_100000188517_100000210210 [0,2,0,0,0,0|2,0,0]=4 15197 B13R1.371 CCCCSc1ccc(cc1)C=O 62a_100000210211_100000188517 [0,2,0,0,0,0|2,0,0]=4 15198 B13R1.371 CCCCSc1ccc(cc1)CC 62a_100000210211_100011215824 [0,2,0,0,0,0|2,0,0]=4 15199 B13R1.371 CCCCSc1ccc(cc1)CC 62a_100011215824_100000210210 [0,2,0,0,0,0|2,0,0]=4 15200 B13R1.371 CCCCSc1ccc(cc1)CF 62a_100000210211_100010268989 [0,2,0,0,0,0|2,0,0]=4 15201 B13R1.371 CCCCSc1ccc(cc1)CF 62a_100010268989_100000210210 [0,2,0,0,0,0|2,0,0]=4 15202 B13R1.371 CCCCSc1ccc(cc1)CN 62a_100000210211_100016989417 [0,2,0,0,0,0|2,0,0]=4 15203 B13R1.371 CCCCSc1ccc(cc1)CN 62a_100016989417_100000210210 [0,2,0,0,0,0|2,0,0]=4 15204 B13R1.371 CCCCSc1ccc(cc1)CO 62a_100000210211_100000690907 [0,2,0,0,0,0|2,0,0]=4 15205 B13R1.371 CCCCSc1ccc(cc1)CO 62a_100000690907_100000210210 [0,2,0,0,0,0|2,0,0]=4 15206 B13R1.371 CCCCSc1ccc(cc1)NC 62a_100000210211_100000743151 [0,2,0,0,0,0|2,0,0]=4 15207 B13R1.371 CCCCSc1ccc(cc1)NC 62a_100000743151_100000210210 [0,2,0,0,0,0|2,0,0]=4 15208 B13R1.371 CCCCSc1ccc(cc1)NN 62a_100000210211_100016988836 [0,2,0,0,0,0|2,0,0]=4 15209 B13R1.371 CCCCSc1ccc(cc1)NN 62a_100016988836_100000210210 [0,2,0,0,0,0|2,0,0]=4 15210 B13R1.371 CCCCSc1ccc(cc1)OC 62a_100000210211_100000171711 [0,2,0,0,0,0|2,0,0]=4 15211 B13R1.371 CCCCSc1ccc(cc1)SC 62a_100000210211_100011263217 [0,2,0,0,0,0|2,0,0]=4 15212 B13R1.371 CCCCSc1ccc(cc1)SC 62a_100011263217_100000210210 [0,2,0,0,0,0|2,0,0]=4 15213 B13R1.371 CCCCSc1ccc(cn1)C#N 62a_100000210211_100000241038 [0,2,0,0,0,0|1,0,0]=3 15214 B13R1.371 CCCCSc1ccc(cn1)C=O 62a_100000210211_100000766901 [0,2,0,0,0,0|1,0,0]=3 15215 B13R1.371 CCCCSc1ccc(cn1)C=O 62a_100000766901_100000210210 [0,2,0,0,0,0|1,0,0]=3 15216 B13R1.371 CCCCSc1ccc(cn1)CC 62a_100000210211_100009843584 [0,2,0,0,0,0|1,0,0]=3 15217 B13R1.371 CCCCSc1ccc(cn1)CC 62a_100009843584_100000210210 [0,2,0,0,0,0|1,0,0]=3 15218 B13R1.371 CCCCSc1ccc(cn1)CN 62a_100000210211_100000735879 [0,2,0,0,0,0|1,0,0]=3 15219 B13R1.371 CCCCSc1ccc(cn1)CN 62a_100000735879_100000210210 [0,2,0,0,0,0|1,0,0]=3 15220 B13R1.371 CCCCSc1ccc(cn1)CO 62a_100000210211_100009816760 [0,2,0,0,0,0|1,0,0]=3 15221 B13R1.371 CCCCSc1ccc(cn1)CO 62a_100009816760_100000210210 [0,2,0,0,0,0|1,0,0]=3 15222 B13R1.371 CCCCSc1ccc(cn1)NC 62a_100000210211_100000764248 [0,2,0,0,0,0|1,0,0]=3 15223 B13R1.371 CCCCSc1ccc(cn1)NC 62a_100000764248_100000210210 [0,2,0,0,0,0|1,0,0]=3 15224 B13R1.371 CCCCSc1ccc(cn1)NN 62a_100000210211_100000119030 [0,2,0,0,0,0|1,0,0]=3 15225 B13R1.371 CCCCSc1ccc(cn1)NN 62a_100000755011_100000210210 [0,2,0,0,0,0|1,0,0]=3 15226 B13R1.371 CCCCSc1ccc(cn1)OC 62a_100000210211_100000744180 [0,2,0,0,0,0|1,0,0]=3 15227 B13R1.371 CCCCSc1ccc(cn1)OC 62a_100000755202_100000210210 [0,2,0,0,0,0|1,0,0]=3 15228 B13R1.371 CCCCSc1ccc(cn1)SC 62a_100000210211_100009820866 [0,2,0,0,0,0|1,0,0]=3 15229 B13R1.371 CCCCSc1ccc(cn1)SC 62a_100009820866_100000210210 [0,2,0,0,0,0|1,0,0]=3 15230 B13R1.371 CCCCSc1ccc(nn1)C#N 62a_100000210211_100000094388 [0,2,0,0,0,0|2,0,0]=4 15231 B13R1.371 CCCCSc1ccc(nn1)C=O 62a_100000044651_100000210210 [0,2,0,0,0,0|2,0,0]=4 15232 B13R1.371 CCCCSc1ccc(nn1)C=O 62a_100000210211_100000044651 [0,2,0,0,0,0|2,0,0]=4 15233 B13R1.371 CCCCSc1ccc(nn1)NC 62a_100000210211_100000215272 [0,2,0,0,0,0|2,0,0]=4 15234 B13R1.371 CCCCSc1ccc(nn1)NC 62a_100000215272_100000210210 [0,2,0,0,0,0|2,0,0]=4 15235 B13R1.371 CCCCSc1ccc(nn1)NN 62a_100000182438_100000210210 [0,2,0,0,0,0|2,0,0]=4 15236 B13R1.371 CCCCSc1ccc(nn1)NN 62a_100000210211_100000182438 [0,2,0,0,0,0|2,0,0]=4 15237 B13R1.371 CCCCSc1ccc(nn1)OC 62a_100000210211_100009819040 [0,2,0,0,0,0|2,0,0]=4 15238 B13R1.371 CCCCSc1ccc(nn1)OC 62a_100009819040_100000210210 [0,2,0,0,0,0|2,0,0]=4 15239 B13R1.371 CCCCSc1cnc(cn1)C#N 62a_100000210211_100000059812 [0,2,0,0,0,0|2,0,0]=4 15240 B13R1.371 CCCCSc1cnc(cn1)C=O 62a_100000210211_100012001714 [0,2,0,0,0,0|2,0,0]=4 15241 B13R1.371 CCCCSc1cnc(cn1)C=O 62a_100012001714_100000210210 [0,2,0,0,0,0|2,0,0]=4 15242 B13R1.371 CCCCSc1cnc(cn1)CO 62a_100000210211_100012002382 [0,2,0,0,0,0|2,0,0]=4 15243 B13R1.371 CCCCSc1cnc(cn1)CO 62a_100012002382_100000210210 [0,2,0,0,0,0|2,0,0]=4 15244 B13R1.371 CCCCSc1cnc(cn1)NC 62a_100000210211_100012000640 [0,2,0,0,0,0|2,0,0]=4 15245 B13R1.371 CCCCSc1cnc(cn1)NC 62a_100012000640_100000210210 [0,2,0,0,0,0|2,0,0]=4 15246 B13R1.371 CCCCSc1cnc(cn1)NN 62a_100000121042_100000210210 [0,2,0,0,0,0|2,0,0]=4 15247 B13R1.371 CCCCSc1cnc(cn1)NN 62a_100000210211_100000121042 [0,2,0,0,0,0|2,0,0]=4 15248 B13R1.371 CCCCSc1cnc(cn1)OC 62a_100000210211_100011998698 [0,2,0,0,0,0|2,0,0]=4 15249 B13R1.371 CCCCSc1cnc(cn1)OC 62a_100011998698_100000210210 [0,2,0,0,0,0|2,0,0]=4 15250 B13R1.371 CCCCSc1cnc(cn1)SC 62a_100000210211_200012356277 [0,2,0,0,0,0|2,0,0]=4 15251 B13R1.371 CCCCSc1cnc(cn1)SC 62a_200012356277_100000210210 [0,2,0,0,0,0|2,0,0]=4 15252 B13R1.371 CCCCSc1ncc(cn1)C#N 62a_100000210211_100000099682 [0,2,0,0,0,0|2,0,0]=4 15253 B13R1.371 CCCCSc1ncc(cn1)C=O 62a_100000070856_100000210210 [0,2,0,0,0,0|2,0,0]=4 15254 B13R1.371 CCCCSc1ncc(cn1)C=O 62a_100000210211_100000070856 [0,2,0,0,0,0|2,0,0]=4 15255 B13R1.371 CCCCSc1ncc(cn1)CC 62a_100000033099_100000210210 [0,2,0,0,0,0|2,0,0]=4 15256 B13R1.371 CCCCSc1ncc(cn1)CC 62a_100000210211_100000033099 [0,2,0,0,0,0|2,0,0]=4 15257 B13R1.371 CCCCSc1ncc(cn1)CO 62a_100000210211_100009855073 [0,2,0,0,0,0|2,0,0]=4 15258 B13R1.371 CCCCSc1ncc(cn1)CO 62a_100009855073_100000210210 [0,2,0,0,0,0|2,0,0]=4 15259 B13R1.371 CCCCSc1ncc(cn1)OC 62a_100000069167_100000210210 [0,2,0,0,0,0|2,0,0]=4 15260 B13R1.371 CCCCSc1ncc(cn1)OC 62a_100000210211_100000069167 [0,2,0,0,0,0|2,0,0]=4 15261 B13R1.371 CCCCSc1ncc(cn1)SC 62a_100000210211_100000718988 [0,2,0,0,0,0|2,0,0]=4 15262 B13R1.371 CCCCSc1ncc(cn1)SC 62a_100000718988_100000210210 [0,2,0,0,0,0|2,0,0]=4 15263 B13R1.371 CCCNCc1ccc(cc1)C#N 207a_100020643023_100000211122 [0,2,0,0,0,0|2,0,0]=4 15264 B13R1.371 CCCNCc1ccc(cc1)C#N 270004a_100020643023_100000211122 [0,2,0,0,0,0|2,0,0]=4 15265 B13R1.371 CCCNCc1ccc(cc1)C#N 34a_100015207190_100000210303 [0,2,0,0,0,0|2,0,0]=4 15266 B13R1.371 CCCNCc1ccc(cc1)CC 207a_100020643023_100000211036 [0,2,0,0,0,0|2,0,0]=4 15267 B13R1.371 CCCNCc1ccc(cc1)CC 2230a_100000721222_100000210303 [0,2,0,0,0,0|2,0,0]=4 15268 B13R1.371 CCCNCc1ccc(cc1)CC 270004a_100020643023_100000211036 [0,2,0,0,0,0|2,0,0]=4 15269 B13R1.371 CCCNCc1ccc(cc1)CC 34a_100000721222_100000210303 [0,2,0,0,0,0|2,0,0]=4 15270 B13R1.371 CCCNCc1ccc(cc1)CO 207a_100020643023_100009832023 [0,2,0,0,0,0|2,0,0]=4 15271 B13R1.371 CCCNCc1ccc(cc1)CO 2230a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 15272 B13R1.371 CCCNCc1ccc(cc1)CO 270004a_100020643023_100009832023 [0,2,0,0,0,0|2,0,0]=4 15273 B13R1.371 CCCNCc1ccc(cc1)CO 34a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 15274 B13R1.371 CCCNCc1ccc(cc1)OC 207a_100020643023_100000169835 [0,2,0,0,0,0|2,0,0]=4 15275 B13R1.371 CCCNCc1ccc(cc1)OC 270004a_100020643023_100000169835 [0,2,0,0,0,0|2,0,0]=4 15276 B13R1.371 CCCNCc1ccc(cc1)OC 34a_100000185587_100000210303 [0,2,0,0,0,0|2,0,0]=4 15277 B13R1.371 CCCNCc1ccc(cc1)SC 207a_100020643023_100000211154 [0,2,0,0,0,0|2,0,0]=4 15278 B13R1.371 CCCNCc1ccc(cc1)SC 2230a_100000174980_100000210303 [0,2,0,0,0,0|2,0,0]=4 15279 B13R1.371 CCCNCc1ccc(cc1)SC 270004a_100020643023_100000211154 [0,2,0,0,0,0|2,0,0]=4 15280 B13R1.371 CCCNCc1ccc(cc1)SC 34a_100000174980_100000210303 [0,2,0,0,0,0|2,0,0]=4 15281 B13R1.371 CCCNCc1ccc(cn1)C#N 270004a_100020643023_100009884217 [0,2,0,0,0,0|1,0,0]=3 15282 B13R1.371 CCCNCc1ccc(cn1)CC 207a_100020643023_100000069529 [0,2,0,0,0,0|1,0,0]=3 15283 B13R1.371 CCCNCc1ccc(cn1)CC 2230a_100000069493_100000210303 [0,2,0,0,0,0|1,0,0]=3 15284 B13R1.371 CCCNCc1ccc(cn1)CC 270004a_100020643023_100000069529 [0,2,0,0,0,0|1,0,0]=3 15285 B13R1.371 CCCNCc1ccc(cn1)CC 34a_100000069493_100000210303 [0,2,0,0,0,0|1,0,0]=3 15286 B13R1.371 CCCNCc1ccc(cn1)OC 207a_100020643023_100000701244 [0,2,0,0,0,0|1,0,0]=3 15287 B13R1.371 CCCNCc1ccc(cn1)OC 270004a_100020643023_100000701244 [0,2,0,0,0,0|1,0,0]=3 15288 B13R1.371 CCCNCc1ccc(cn1)OC 34a_100000703904_100000210303 [0,2,0,0,0,0|1,0,0]=3 15289 B13R1.371 CCCNCc1cnc(cn1)OC 207a_100020643023_100000099869 [0,2,0,0,0,0|2,0,0]=4 15290 B13R1.371 CCCNCc1cnc(cn1)OC 270004a_100020643023_100000099869 [0,2,0,0,0,0|2,0,0]=4 15291 B13R1.371 CCCOCc1ccc(cc1)C#N 34a_100000210258_100000184898 [0,2,0,0,0,0|2,0,0]=4 15292 B13R1.371 CCCOCc1ccc(cc1)C#N 34a_100000238739_100000210303 [0,2,0,0,0,0|2,0,0]=4 15293 B13R1.371 CCCOCc1ccc(cc1)C#N 7a_100000238739_100000210303 [0,2,0,0,0,0|2,0,0]=4 15294 B13R1.371 CCCOCc1ccc(cc1)C=O 34a_100000210258_100009816848 [0,2,0,0,0,0|2,0,0]=4 15295 B13R1.371 CCCOCc1ccc(cc1)CBr 34a_100012353999_100000210303 [0,2,0,0,0,0|2,0,0]=4 15296 B13R1.371 CCCOCc1ccc(cc1)CBr 7a_100012353999_100000210303 [0,2,0,0,0,0|2,0,0]=4 15297 B13R1.371 CCCOCc1ccc(cc1)CC 34a_100000210258_100000747183 [0,2,0,0,0,0|2,0,0]=4 15298 B13R1.371 CCCOCc1ccc(cc1)CC 34a_100000702245_100000210303 [0,2,0,0,0,0|2,0,0]=4 15299 B13R1.371 CCCOCc1ccc(cc1)CC 7a_100000702245_100000210303 [0,2,0,0,0,0|2,0,0]=4 15300 B13R1.371 CCCOCc1ccc(cc1)CCl 34a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 15301 B13R1.371 CCCOCc1ccc(cc1)CCl 7a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 15302 B13R1.371 CCCOCc1ccc(cc1)CN 34a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 15303 B13R1.371 CCCOCc1ccc(cc1)CO 34a_100000210258_100000067286 [0,2,0,0,0,0|2,0,0]=4 15304 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000173359_100000210303 [0,2,0,0,0,0|2,0,0]=4 15305 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000210258_100000742318 [0,2,0,0,0,0|2,0,0]=4 15306 B13R1.371 CCCOCc1ccc(cc1)SC 34a_100000210258_100000181263 [0,2,0,0,0,0|2,0,0]=4 15307 B13R1.371 CCCOCc1ccc(cc1)SC 34a_100011215404_100000210303 [0,2,0,0,0,0|2,0,0]=4 15308 B13R1.371 CCCOCc1ccc(cc1)SC 7a_100011215404_100000210303 [0,2,0,0,0,0|2,0,0]=4 15309 B13R1.371 CCCOCc1ccc(cn1)C#N 34a_100000101912_100000210303 [0,2,0,0,0,0|1,0,0]=3 15310 B13R1.371 CCCOCc1ccc(cn1)C#N 34a_100000210258_100000693164 [0,2,0,0,0,0|1,0,0]=3 15311 B13R1.371 CCCOCc1ccc(cn1)CC 34a_100000068455_100000210303 [0,2,0,0,0,0|1,0,0]=3 15312 B13R1.371 CCCOCc1ccc(cn1)OC 34a_100000210258_200000757186 [0,2,0,0,0,0|1,0,0]=3 15313 B13R1.371 CCCOCc1ccc(cn1)OC 34a_100011998694_100000210303 [0,2,0,0,0,0|1,0,0]=3 15314 B13R1.371 CCCSCc1ccc(cc1)C#N 62a_100000210303_100000184898 [0,2,0,0,0,0|2,0,0]=4 15315 B13R1.371 CCCSCc1ccc(cc1)C=O 62a_100000210303_100009816848 [0,2,0,0,0,0|2,0,0]=4 15316 B13R1.371 CCCSCc1ccc(cc1)C=O 62a_100009816848_100000210303 [0,2,0,0,0,0|2,0,0]=4 15317 B13R1.371 CCCSCc1ccc(cc1)CC 62a_100000210303_100000747183 [0,2,0,0,0,0|2,0,0]=4 15318 B13R1.371 CCCSCc1ccc(cc1)CC 62a_100000757233_100000210303 [0,2,0,0,0,0|2,0,0]=4 15319 B13R1.371 CCCSCc1ccc(cc1)CO 62a_100000067286_100000210303 [0,2,0,0,0,0|2,0,0]=4 15320 B13R1.371 CCCSCc1ccc(cc1)CO 62a_100000210303_100000067286 [0,2,0,0,0,0|2,0,0]=4 15321 B13R1.371 CCCSCc1ccc(cc1)OC 62a_100000210303_100000742318 [0,2,0,0,0,0|2,0,0]=4 15322 B13R1.371 CCCSCc1ccc(cc1)SC 62a_100000181263_100000210303 [0,2,0,0,0,0|2,0,0]=4 15323 B13R1.371 CCCSCc1ccc(cc1)SC 62a_100000210303_100000181263 [0,2,0,0,0,0|2,0,0]=4 15324 B13R1.371 CCCSCc1ccc(cn1)C#N 62a_100000210303_100000693164 [0,2,0,0,0,0|1,0,0]=3 15325 B13R1.371 CCCSCc1ccc(cn1)OC 62a_100000210303_200000757186 [0,2,0,0,0,0|1,0,0]=3 15326 B13R1.371 CCCSCc1ccc(cn1)OC 62a_200000757186_100000210303 [0,2,0,0,0,0|1,0,0]=3 15327 B13R1.371 CCNCCc1ccc(cc1)C#N 2230a_100015189369_100000210202 [0,2,0,0,0,0|2,0,0]=4 15328 B13R1.371 CCNCCc1ccc(cc1)C#N 2230a_100015525214_100012161189 [0,2,0,0,0,0|2,0,0]=4 15329 B13R1.371 CCNCCc1ccc(cc1)C#N 34a_100015189369_100000210202 [0,2,0,0,0,0|2,0,0]=4 15330 B13R1.371 CCNCCc1ccc(cc1)CC 2230a_100025712186_100000210202 [0,2,0,0,0,0|2,0,0]=4 15331 B13R1.371 CCNCCc1ccc(cc1)CC 34a_100025712186_100000210202 [0,2,0,0,0,0|2,0,0]=4 15332 B13R1.371 CCNCCc1ccc(cc1)OC 2230a_100000210796_100000210202 [0,2,0,0,0,0|2,0,0]=4 15333 B13R1.371 CCNCCc1ccc(cc1)OC 2230a_100015525214_100011713689 [0,2,0,0,0,0|2,0,0]=4 15334 B13R1.371 CCNCCc1ccc(cc1)OC 270004a_100015525214_100011242372 [0,2,0,0,0,0|2,0,0]=4 15335 B13R1.371 CCNCCc1ccc(cc1)OC 34a_100000210796_100000210202 [0,2,0,0,0,0|2,0,0]=4 15336 B13R1.371 CCOCCc1ccc(cc1)C#N 34a_100011219507_100000210202 [0,2,0,0,0,0|2,0,0]=4 15337 B13R1.371 CCOCCc1ccc(cc1)C#N 34a_100121572206_100012161189 [0,2,0,0,0,0|2,0,0]=4 15338 B13R1.371 CCOCCc1ccc(cc1)C#N 7a_100011219507_100000210202 [0,2,0,0,0,0|2,0,0]=4 15339 B13R1.371 CCOCCc1ccc(cc1)OC 34a_100011219623_100000210202 [0,2,0,0,0,0|2,0,0]=4 15340 B13R1.371 CCOCCc1ccc(cc1)OC 34a_100121572206_100000184700 [0,2,0,0,0,0|2,0,0]=4 15341 B13R1.371 CCOCCc1ccc(cc1)OC 7a_100011219623_100000210202 [0,2,0,0,0,0|2,0,0]=4 15342 B13R1.371 CCOCCc1ccc(cn1)CC 34a_100000702088_100000210202 [0,2,0,0,0,0|1,0,0]=3 15343 B13R1.371 CCOCCc1ccc(cn1)CC 7a_100000702088_100000210202 [0,2,0,0,0,0|1,0,0]=3 15344 B13R1.371 CCOCSc1ccc(cn1)C#N 62a_100000739092_100000241038 [0,2,0,0,0,0|2,0,0]=4 15345 B13R1.371 CCOCSc1ccc(cn1)C=O 62a_100000739092_100000766901 [0,2,0,0,0,0|2,0,0]=4 15346 B13R1.371 CCOCSc1ccc(cn1)C=O 62a_100000766901_100000739092 [0,2,0,0,0,0|2,0,0]=4 15347 B13R1.371 CCOCSc1ccc(cn1)CC 62a_100000739092_100009843584 [0,2,0,0,0,0|2,0,0]=4 15348 B13R1.371 CCOCSc1ccc(cn1)CC 62a_100009843584_100000739092 [0,2,0,0,0,0|2,0,0]=4 15349 B13R1.371 CCOCSc1ccc(cn1)CN 62a_100000735879_100000739092 [0,2,0,0,0,0|2,0,0]=4 15350 B13R1.371 CCOCSc1ccc(cn1)CN 62a_100000739092_100000735879 [0,2,0,0,0,0|2,0,0]=4 15351 B13R1.371 CCOCSc1ccc(cn1)CO 62a_100000739092_100009816760 [0,2,0,0,0,0|2,0,0]=4 15352 B13R1.371 CCOCSc1ccc(cn1)CO 62a_100009816760_100000739092 [0,2,0,0,0,0|2,0,0]=4 15353 B13R1.371 CCOCSc1ccc(cn1)NC 62a_100000739092_100000764248 [0,2,0,0,0,0|2,0,0]=4 15354 B13R1.371 CCOCSc1ccc(cn1)NC 62a_100000764248_100000739092 [0,2,0,0,0,0|2,0,0]=4 15355 B13R1.371 CCOCSc1ccc(cn1)NN 62a_100000739092_100000119030 [0,2,0,0,0,0|2,0,0]=4 15356 B13R1.371 CCOCSc1ccc(cn1)NN 62a_100000755011_100000739092 [0,2,0,0,0,0|2,0,0]=4 15357 B13R1.371 CCOCSc1ccc(cn1)OC 62a_100000739092_100000744180 [0,2,0,0,0,0|2,0,0]=4 15358 B13R1.371 CCOCSc1ccc(cn1)OC 62a_100000755202_100000739092 [0,2,0,0,0,0|2,0,0]=4 15359 B13R1.371 CCOCSc1ccc(cn1)SC 62a_100000739092_100009820866 [0,2,0,0,0,0|2,0,0]=4 15360 B13R1.371 CCOCSc1ccc(cn1)SC 62a_100009820866_100000739092 [0,2,0,0,0,0|2,0,0]=4 15361 B13R1.371 CCSCCc1ccc(cc1)C#N 62a_100000210202_100012161189 [0,2,0,0,0,0|2,0,0]=4 15362 B13R1.371 CCSCCc1ccc(cc1)OC 62a_100000210202_100011713689 [0,2,0,0,0,0|2,0,0]=4 15363 B13R1.371 CCSCCc1ccc(cc1)OC 62a_100011713689_100000210202 [0,2,0,0,0,0|2,0,0]=4 15364 B13R1.371 CCc1ccc(nc1)CCOCF 34a_100000702088_100015361967 [0,2,0,0,0,0|2,0,0]=4 15365 B13R1.371 CCc1ccc(nc1)CCOCF 7a_100000702088_100015361967 [0,2,0,0,0,0|2,0,0]=4 15366 B13R1.371 CCc1ccc(nc1)CNCCF 2230a_100000069493_100011217306 [0,2,0,0,0,0|2,0,0]=4 15367 B13R1.371 CCc1ccc(nc1)CNCCF 34a_100000069493_100011217306 [0,2,0,0,0,0|2,0,0]=4 15368 B13R1.371 CCc1ccc(nc1)CNCCO 207a_100000210304_100000069529 [0,2,0,0,0,0|2,0,0]=4 15369 B13R1.371 CCc1ccc(nc1)CNCCO 2230a_100000069493_100000211926 [0,2,0,0,0,0|2,0,0]=4 15370 B13R1.371 CCc1ccc(nc1)CNCCO 270004a_100000210304_100000069529 [0,2,0,0,0,0|2,0,0]=4 15371 B13R1.371 CCc1ccc(nc1)CNCCO 34a_100000069493_100000211926 [0,2,0,0,0,0|2,0,0]=4 15372 B13R1.371 CCc1ccc(nc1)CNCOC 2230a_100000069493_100000766300 [0,2,0,0,0,0|2,0,0]=4 15373 B13R1.371 CCc1ccc(nc1)CNCSC 2230a_100000069493_100011218213 [0,2,0,0,0,0|2,0,0]=4 15374 B13R1.371 CCc1ccc(nc1)CNCSC 34a_100000069493_100011218213 [0,2,0,0,0,0|2,0,0]=4 15375 B13R1.371 CCc1ccc(nc1)COCCF 34a_100000068455_100011217306 [0,2,0,0,0,0|2,0,0]=4 15376 B13R1.371 CCc1ccc(nc1)COCCO 34a_100000068455_100000211926 [0,2,0,0,0,0|2,0,0]=4 15377 B13R1.371 CCc1ccc(nc1)COCSC 34a_100000068455_100011218213 [0,2,0,0,0,0|2,0,0]=4 15378 B13R1.371 CCc1ccc(nc1)SCCCF 62a_100009843584_100011934791 [0,2,0,0,0,0|2,0,0]=4 15379 B13R1.371 CCc1ccc(nc1)SCCCF 62a_100011934791_100009843584 [0,2,0,0,0,0|2,0,0]=4 15380 B13R1.371 CCc1ccc(nc1)SCCCO 62a_100009843584_100011215043 [0,2,0,0,0,0|2,0,0]=4 15381 B13R1.371 CCc1ccc(nc1)SCCCO 62a_100011215043_100009843584 [0,2,0,0,0,0|2,0,0]=4 15382 B13R1.371 CCc1ccc(nc1)SCCOC 62a_100000233755_100009843584 [0,2,0,0,0,0|2,0,0]=4 15383 B13R1.371 CCc1ccc(nc1)SCCOC 62a_100009843584_100000233755 [0,2,0,0,0,0|2,0,0]=4 15384 B13R1.371 CCc1ccc(nc1)SCCSC 62a_100000212216_100009843584 [0,2,0,0,0,0|2,0,0]=4 15385 B13R1.371 CCc1ccc(nc1)SCCSC 62a_100009843584_100000751147 [0,2,0,0,0,0|2,0,0]=4 15386 B13R1.371 CNCCCc1ccc(cc1)OC 2230a_100015185942_200000210301 [0,2,0,0,0,0|2,0,0]=4 15387 B13R1.371 CNCCCc1ccc(cc1)OC 2230a_106832991635_100011740616 [0,2,0,0,0,0|2,0,0]=4 15388 B13R1.371 CNCCCc1ccc(cc1)OC 270004a_106832991635_100011361577 [0,2,0,0,0,0|2,0,0]=4 15389 B13R1.371 CNCCCc1ccc(cc1)OC 34a_100015185942_200000210301 [0,2,0,0,0,0|2,0,0]=4 15390 B13R1.371 CNCCCc1ccc(cc1)OC 7a_106832991635_100011740616 [0,2,0,0,0,0|2,0,0]=4 15391 B13R1.371 CNc1ccc(nc1)SCCCF 62a_100000764248_100011934791 [0,2,0,0,0,0|2,0,0]=4 15392 B13R1.371 CNc1ccc(nc1)SCCCF 62a_100011934791_100000764248 [0,2,0,0,0,0|2,0,0]=4 15393 B13R1.371 CNc1ccc(nc1)SCCCO 62a_100000764248_100011215043 [0,2,0,0,0,0|2,0,0]=4 15394 B13R1.371 CNc1ccc(nc1)SCCCO 62a_100011215043_100000764248 [0,2,0,0,0,0|2,0,0]=4 15395 B13R1.371 CNc1ccc(nc1)SCCOC 62a_100000233755_100000764248 [0,2,0,0,0,0|2,0,0]=4 15396 B13R1.371 CNc1ccc(nc1)SCCOC 62a_100000764248_100000233755 [0,2,0,0,0,0|2,0,0]=4 15397 B13R1.371 CNc1ccc(nc1)SCCSC 62a_100000212216_100000764248 [0,2,0,0,0,0|2,0,0]=4 15398 B13R1.371 CNc1ccc(nc1)SCCSC 62a_100000764248_100000751147 [0,2,0,0,0,0|2,0,0]=4 15399 B13R1.371 COCCCc1ccc(cc1)C#N 34a_100000090602_200000210301 [0,2,0,0,0,0|2,0,0]=4 15400 B13R1.371 COCCCc1ccc(cc1)C#N 7a_100000090602_200000210301 [0,2,0,0,0,0|2,0,0]=4 15401 B13R1.371 COCCCc1ccc(cc1)OC 34a_100011215180_200000210301 [0,2,0,0,0,0|2,0,0]=4 15402 B13R1.371 COCCCc1ccc(cc1)OC 7a_100011215180_200000210301 [0,2,0,0,0,0|2,0,0]=4 15403 B13R1.371 COCCNc1ccc(cn1)C#N 27a_100000209980_100000241038 [0,2,0,0,0,0|2,0,0]=4 15404 B13R1.371 COCCNc1ccc(cn1)SC 27a_100000209980_100009820866 [0,2,0,0,0,0|2,0,0]=4 15405 B13R1.371 COCCOc1ccc(cn1)CN 34a_100000757128_100011201679 [0,2,0,0,0,0|2,0,0]=4 15406 B13R1.371 COCCOc1ccc(cn1)OC 34a_100012002028_100011201679 [0,2,0,0,0,0|2,0,0]=4 15407 B13R1.371 COCCOc1ccc(cn1)SC 62a_100000758753_200000210301 [0,2,0,0,0,0|2,0,0]=4 15408 B13R1.371 COCCOc1ccc(cn1)SC 62a_200000210301_100000758753 [0,2,0,0,0,0|2,0,0]=4 15409 B13R1.371 COCCOc1ccc(cn1)S[13CH3] 62a_100000758753_200025704644 [0,2,0,0,0,0|2,0,0]=4 15410 B13R1.371 COCCOc1ccc(cn1)S[13CH3] 62a_200025704644_100000758753 [0,2,0,0,0,0|2,0,0]=4 15411 B13R1.371 COCCSc1ccc(cn1)C#N 62a_100000233755_100000241038 [0,2,0,0,0,0|2,0,0]=4 15412 B13R1.371 COCCSc1ccc(cn1)C=O 62a_100000233755_100000766901 [0,2,0,0,0,0|2,0,0]=4 15413 B13R1.371 COCCSc1ccc(cn1)C=O 62a_100000766901_100000233755 [0,2,0,0,0,0|2,0,0]=4 15414 B13R1.371 COCCSc1ccc(cn1)CN 62a_100000233755_100000735879 [0,2,0,0,0,0|2,0,0]=4 15415 B13R1.371 COCCSc1ccc(cn1)CN 62a_100000735879_100000233755 [0,2,0,0,0,0|2,0,0]=4 15416 B13R1.371 COCCSc1ccc(cn1)CO 62a_100000233755_100009816760 [0,2,0,0,0,0|2,0,0]=4 15417 B13R1.371 COCCSc1ccc(cn1)CO 62a_100009816760_100000233755 [0,2,0,0,0,0|2,0,0]=4 15418 B13R1.371 COCCSc1ccc(cn1)NN 62a_100000233755_100000119030 [0,2,0,0,0,0|2,0,0]=4 15419 B13R1.371 COCCSc1ccc(cn1)NN 62a_100000755011_100000233755 [0,2,0,0,0,0|2,0,0]=4 15420 B13R1.371 COCCSc1ccc(cn1)OC 62a_100000233755_100000744180 [0,2,0,0,0,0|2,0,0]=4 15421 B13R1.371 COCCSc1ccc(cn1)OC 62a_100000755202_100000233755 [0,2,0,0,0,0|2,0,0]=4 15422 B13R1.371 COCCSc1ccc(cn1)SC 62a_100000233755_100009820866 [0,2,0,0,0,0|2,0,0]=4 15423 B13R1.371 COCCSc1ccc(cn1)SC 62a_100009820866_100000233755 [0,2,0,0,0,0|2,0,0]=4 15424 B13R1.371 COCSCc1ccc(cn1)C#N 62a_100000766300_100000693164 [0,2,0,0,0,0|2,0,0]=4 15425 B13R1.371 COCSCc1ccc(cn1)OC 62a_100000766300_200000757186 [0,2,0,0,0,0|2,0,0]=4 15426 B13R1.371 COCSCc1ccc(cn1)OC 62a_200000757186_100000766300 [0,2,0,0,0,0|2,0,0]=4 15427 B13R1.371 COc1ccc(cc1)CCCN[13CH3] 2230a_100015185942_200025704644 [0,2,0,0,0,0|2,0,0]=4 15428 B13R1.371 COc1ccc(cc1)CCCN[13CH3] 34a_100015185942_200025704644 [0,2,0,0,0,0|2,0,0]=4 15429 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 34a_100011215180_200025704644 [0,2,0,0,0,0|2,0,0]=4 15430 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 7a_100011215180_200025704644 [0,2,0,0,0,0|2,0,0]=4 15431 B13R1.371 COc1ccc(cc1)CCCSC 62a_100011740616_200000210301 [0,2,0,0,0,0|2,0,0]=4 15432 B13R1.371 COc1ccc(cc1)CCCSC 62a_200000210301_100011740616 [0,2,0,0,0,0|2,0,0]=4 15433 B13R1.371 COc1ccc(cc1)CCCS[13CH3] 62a_100011740616_200025704644 [0,2,0,0,0,0|2,0,0]=4 15434 B13R1.371 COc1ccc(cc1)CCCS[13CH3] 62a_200025704644_100011740616 [0,2,0,0,0,0|2,0,0]=4 15435 B13R1.371 COc1ccc(nc1)CNCCF 34a_100000703904_100011217306 [0,2,0,0,0,0|2,0,0]=4 15436 B13R1.371 COc1ccc(nc1)CNCCF 34a_100000724931_200000757186 [0,2,0,0,0,0|2,0,0]=4 15437 B13R1.371 COc1ccc(nc1)CNCCO 207a_100000210304_100000701244 [0,2,0,0,0,0|2,0,0]=4 15438 B13R1.371 COc1ccc(nc1)CNCCO 2230a_100016997473_200000757186 [0,2,0,0,0,0|2,0,0]=4 15439 B13R1.371 COc1ccc(nc1)CNCCO 270004a_100000210304_100000701244 [0,2,0,0,0,0|2,0,0]=4 15440 B13R1.371 COc1ccc(nc1)CNCCO 34a_100000703904_100000211926 [0,2,0,0,0,0|2,0,0]=4 15441 B13R1.371 COc1ccc(nc1)CNCCO 34a_100016990907_200000757186 [0,2,0,0,0,0|2,0,0]=4 15442 B13R1.371 COc1ccc(nc1)CNCSC 34a_100000703904_100011218213 [0,2,0,0,0,0|2,0,0]=4 15443 B13R1.371 COc1ccc(nc1)COCCBr 34a_100000211926_200000757186 [0,2,0,0,0,0|2,0,0]=4 15444 B13R1.371 COc1ccc(nc1)COCCF 34a_100011998694_100011217306 [0,2,0,0,0,0|2,0,0]=4 15445 B13R1.371 COc1ccc(nc1)COCCN 34a_100000210304_200000757186 [0,2,0,0,0,0|2,0,0]=4 15446 B13R1.371 COc1ccc(nc1)COCCO 34a_100011998694_100000211926 [0,2,0,0,0,0|2,0,0]=4 15447 B13R1.371 COc1ccc(nc1)COCSC 34a_100011998694_100011218213 [0,2,0,0,0,0|2,0,0]=4 15448 B13R1.371 COc1ccc(nc1)CSCCF 62a_100011217306_200000757186 [0,2,0,0,0,0|2,0,0]=4 15449 B13R1.371 COc1ccc(nc1)CSCCF 62a_200000757186_100011217306 [0,2,0,0,0,0|2,0,0]=4 15450 B13R1.371 COc1ccc(nc1)CSCCO 62a_100000211926_200000757186 [0,2,0,0,0,0|2,0,0]=4 15451 B13R1.371 COc1ccc(nc1)CSCCO 62a_200000757186_100000211926 [0,2,0,0,0,0|2,0,0]=4 15452 B13R1.371 COc1ccc(nc1)CSCSC 62a_100011218213_200000757186 [0,2,0,0,0,0|2,0,0]=4 15453 B13R1.371 COc1ccc(nc1)CSCSC 62a_200000757186_100011218213 [0,2,0,0,0,0|2,0,0]=4 15454 B13R1.371 COc1ccc(nc1)OCCCF 34a_100012002028_100011934791 [0,2,0,0,0,0|2,0,0]=4 15455 B13R1.371 COc1ccc(nc1)OCCCO 34a_100012002028_100000230001 [0,2,0,0,0,0|2,0,0]=4 15456 B13R1.371 COc1ccc(nc1)OCCSC 34a_100012002028_100000212216 [0,2,0,0,0,0|2,0,0]=4 15457 B13R1.371 COc1ccc(nc1)SCCCF 62a_100000755202_100011934791 [0,2,0,0,0,0|2,0,0]=4 15458 B13R1.371 COc1ccc(nc1)SCCCF 62a_100011934791_100000744180 [0,2,0,0,0,0|2,0,0]=4 15459 B13R1.371 COc1ccc(nc1)SCCCO 62a_100000755202_100011215043 [0,2,0,0,0,0|2,0,0]=4 15460 B13R1.371 COc1ccc(nc1)SCCCO 62a_100011215043_100000744180 [0,2,0,0,0,0|2,0,0]=4 15461 B13R1.371 COc1ccc(nc1)SCCSC 62a_100000212216_100000744180 [0,2,0,0,0,0|2,0,0]=4 15462 B13R1.371 COc1ccc(nc1)SCCSC 62a_100000755202_100000751147 [0,2,0,0,0,0|2,0,0]=4 15463 B13R1.371 CSCCNc1ccc(cn1)C#N 27a_100020590264_100000241038 [0,2,0,0,0,0|2,0,0]=4 15464 B13R1.371 CSCCNc1ccc(cn1)SC 27a_100020590264_100009820866 [0,2,0,0,0,0|2,0,0]=4 15465 B13R1.371 CSCCOc1ccc(cn1)CN 34a_100000757128_100000212216 [0,2,0,0,0,0|2,0,0]=4 15466 B13R1.371 CSCCSc1ccc(cn1)C#N 62a_100000212216_100000241038 [0,2,0,0,0,0|2,0,0]=4 15467 B13R1.371 CSCCSc1ccc(cn1)C=O 62a_100000212216_100000766901 [0,2,0,0,0,0|2,0,0]=4 15468 B13R1.371 CSCCSc1ccc(cn1)C=O 62a_100000766901_100000751147 [0,2,0,0,0,0|2,0,0]=4 15469 B13R1.371 CSCCSc1ccc(cn1)CN 62a_100000212216_100000735879 [0,2,0,0,0,0|2,0,0]=4 15470 B13R1.371 CSCCSc1ccc(cn1)CN 62a_100000735879_100000751147 [0,2,0,0,0,0|2,0,0]=4 15471 B13R1.371 CSCCSc1ccc(cn1)CO 62a_100000212216_100009816760 [0,2,0,0,0,0|2,0,0]=4 15472 B13R1.371 CSCCSc1ccc(cn1)CO 62a_100009816760_100000751147 [0,2,0,0,0,0|2,0,0]=4 15473 B13R1.371 CSCCSc1ccc(cn1)NN 62a_100000212216_100000119030 [0,2,0,0,0,0|2,0,0]=4 15474 B13R1.371 CSCCSc1ccc(cn1)NN 62a_100000755011_100000751147 [0,2,0,0,0,0|2,0,0]=4 15475 B13R1.371 CSCCSc1ccc(cn1)SC 62a_100000212216_100009820866 [0,2,0,0,0,0|2,0,0]=4 15476 B13R1.371 CSCCSc1ccc(cn1)SC 62a_100009820866_100000751147 [0,2,0,0,0,0|2,0,0]=4 15477 B13R1.371 CSCOCc1ccc(cn1)C#N 34a_100000101912_100011218213 [0,2,0,0,0,0|2,0,0]=4 15478 B13R1.371 CSCSCc1ccc(cn1)C#N 62a_100011218213_100000693164 [0,2,0,0,0,0|2,0,0]=4 15479 B13R1.371 CSc1ccc(nc1)NCCCF 27a_100015189416_100009820866 [0,2,0,0,0,0|2,0,0]=4 15480 B13R1.371 CSc1ccc(nc1)NCCCO 27a_100000182051_100009820866 [0,2,0,0,0,0|2,0,0]=4 15481 B13R1.371 CSc1ccc(nc1)SCCCF 62a_100009820866_100011934791 [0,2,0,0,0,0|2,0,0]=4 15482 B13R1.371 CSc1ccc(nc1)SCCCF 62a_100011934791_100009820866 [0,2,0,0,0,0|2,0,0]=4 15483 B13R1.371 CSc1ccc(nc1)SCCCO 62a_100009820866_100011215043 [0,2,0,0,0,0|2,0,0]=4 15484 B13R1.371 CSc1ccc(nc1)SCCCO 62a_100011215043_100009820866 [0,2,0,0,0,0|2,0,0]=4 15485 B13R1.371 N#Cc1ccc(nc1)CNCCF 34a_100000724931_100000693164 [0,2,0,0,0,0|2,0,0]=4 15486 B13R1.371 N#Cc1ccc(nc1)CNCCO 2230a_100016997473_100000693164 [0,2,0,0,0,0|2,0,0]=4 15487 B13R1.371 N#Cc1ccc(nc1)CNCCO 270004a_100000210304_100009884217 [0,2,0,0,0,0|2,0,0]=4 15488 B13R1.371 N#Cc1ccc(nc1)CNCCO 34a_100016990907_100000693164 [0,2,0,0,0,0|2,0,0]=4 15489 B13R1.371 N#Cc1ccc(nc1)COCCBr 34a_100000211926_100000693164 [0,2,0,0,0,0|2,0,0]=4 15490 B13R1.371 N#Cc1ccc(nc1)COCCF 34a_100000101912_100011217306 [0,2,0,0,0,0|2,0,0]=4 15491 B13R1.371 N#Cc1ccc(nc1)COCCN 34a_100000210304_100000693164 [0,2,0,0,0,0|2,0,0]=4 15492 B13R1.371 N#Cc1ccc(nc1)COCCO 34a_100000101912_100000211926 [0,2,0,0,0,0|2,0,0]=4 15493 B13R1.371 N#Cc1ccc(nc1)CSCCF 62a_100011217306_100000693164 [0,2,0,0,0,0|2,0,0]=4 15494 B13R1.371 N#Cc1ccc(nc1)CSCCO 62a_100000211926_100000693164 [0,2,0,0,0,0|2,0,0]=4 15495 B13R1.371 N#Cc1ccc(nc1)NCCCF 27a_100015189416_100000241038 [0,2,0,0,0,0|2,0,0]=4 15496 B13R1.371 N#Cc1ccc(nc1)NCCCO 27a_100000182051_100000241038 [0,2,0,0,0,0|2,0,0]=4 15497 B13R1.371 N#Cc1ccc(nc1)SCCCF 62a_100011934791_100000241038 [0,2,0,0,0,0|2,0,0]=4 15498 B13R1.371 N#Cc1ccc(nc1)SCCCO 62a_100011215043_100000241038 [0,2,0,0,0,0|2,0,0]=4 15499 B13R1.371 NCc1ccc(nc1)OCCCF 34a_100000757128_100011934791 [0,2,0,0,0,0|2,0,0]=4 15500 B13R1.371 NCc1ccc(nc1)OCCCO 34a_100000757128_100000230001 [0,2,0,0,0,0|2,0,0]=4 15501 B13R1.371 NCc1ccc(nc1)SCCCF 62a_100000735879_100011934791 [0,2,0,0,0,0|2,0,0]=4 15502 B13R1.371 NCc1ccc(nc1)SCCCF 62a_100011934791_100000735879 [0,2,0,0,0,0|2,0,0]=4 15503 B13R1.371 NCc1ccc(nc1)SCCCO 62a_100000735879_100011215043 [0,2,0,0,0,0|2,0,0]=4 15504 B13R1.371 NCc1ccc(nc1)SCCCO 62a_100011215043_100000735879 [0,2,0,0,0,0|2,0,0]=4 15505 B13R1.371 NNc1ccc(nc1)SCCCF 62a_100000755011_100011934791 [0,2,0,0,0,0|2,0,0]=4 15506 B13R1.371 NNc1ccc(nc1)SCCCF 62a_100011934791_100000119030 [0,2,0,0,0,0|2,0,0]=4 15507 B13R1.371 NNc1ccc(nc1)SCCCO 62a_100000755011_100011215043 [0,2,0,0,0,0|2,0,0]=4 15508 B13R1.371 NNc1ccc(nc1)SCCCO 62a_100011215043_100000119030 [0,2,0,0,0,0|2,0,0]=4 15509 B13R1.371 O=Cc1ccc(nc1)SCCCF 62a_100000766901_100011934791 [0,2,0,0,0,0|2,0,0]=4 15510 B13R1.371 O=Cc1ccc(nc1)SCCCF 62a_100011934791_100000766901 [0,2,0,0,0,0|2,0,0]=4 15511 B13R1.371 O=Cc1ccc(nc1)SCCCO 62a_100000766901_100011215043 [0,2,0,0,0,0|2,0,0]=4 15512 B13R1.371 O=Cc1ccc(nc1)SCCCO 62a_100011215043_100000766901 [0,2,0,0,0,0|2,0,0]=4 15513 B13R1.371 OCCCSc1ccc(cn1)CO 62a_100009816760_100011215043 [0,2,0,0,0,0|2,0,0]=4 15514 B13R1.371 OCCCSc1ccc(cn1)CO 62a_100011215043_100009816760 [0,2,0,0,0,0|2,0,0]=4 15515 B13R1.371 OCc1ccc(nc1)SCCCF 62a_100009816760_100011934791 [0,2,0,0,0,0|2,0,0]=4 15516 B13R1.371 OCc1ccc(nc1)SCCCF 62a_100011934791_100009816760 [0,2,0,0,0,0|2,0,0]=4 15517 B13R1.371 [13CH3]OCCCc1ccc(cc1)C#N 34a_100000090602_200025704644 [0,2,0,0,0,0|2,0,0]=4 15518 B13R1.371 [13CH3]OCCCc1ccc(cc1)C#N 7a_100000090602_200025704644 [0,2,0,0,0,0|2,0,0]=4 15519 B13R1.513 C=C(C)CCOc1ccc(cn1)C 34a_100000759353_100000730704 [0,2,0,0,0,0|1,0,1]=4 15520 B13R1.513 C=C(C)CCOc1ccc(cn1)Cl 34a_100011215309_100000730704 [0,2,0,0,0,0|1,0,1]=4 15521 B13R1.513 C=C(C)CCOc1ccc(cn1)F 34a_100000742473_100000730704 [0,2,0,0,0,0|1,0,1]=4 15522 B13R1.513 C=C(C)CCOc1ccc(cn1)N 34a_100000729260_100000730704 [0,2,0,0,0,0|1,0,1]=4 15523 B13R1.513 C=C(C)CCSc1ccc(cn1)Br 62a_100000686858_100000730704 [0,2,0,0,0,0|1,0,1]=4 15524 B13R1.513 C=C(C)CCSc1ccc(cn1)Br 62a_100000730704_100000686858 [0,2,0,0,0,0|1,0,1]=4 15525 B13R1.513 C=C(C)CCSc1ccc(cn1)C 62a_100000730704_100000754016 [0,2,0,0,0,0|1,0,1]=4 15526 B13R1.513 C=C(C)CCSc1ccc(cn1)C 62a_100011192072_100000730704 [0,2,0,0,0,0|1,0,1]=4 15527 B13R1.513 C=C(C)CCSc1ccc(cn1)Cl 62a_100000730704_100011356976 [0,2,0,0,0,0|1,0,1]=4 15528 B13R1.513 C=C(C)CCSc1ccc(cn1)Cl 62a_100011356976_100000730704 [0,2,0,0,0,0|1,0,1]=4 15529 B13R1.513 C=C(C)CCSc1ccc(cn1)F 62a_100000730704_100000744514 [0,2,0,0,0,0|1,0,1]=4 15530 B13R1.513 C=C(C)CCSc1ccc(cn1)F 62a_100000744514_100000730704 [0,2,0,0,0,0|1,0,1]=4 15531 B13R1.513 C=C(C)CCSc1ccc(cn1)N 62a_100000730704_100000737798 [0,2,0,0,0,0|1,0,1]=4 15532 B13R1.513 C=C(C)CCSc1ccc(cn1)N 62a_100000737798_100000730704 [0,2,0,0,0,0|1,0,1]=4 15533 B13R1.513 C=C(C)CCSc1ccc(cn1)O 62a_100000685995_100000730704 [0,2,0,0,0,0|1,0,1]=4 15534 B13R1.513 C=C(C)CCSc1ccc(cn1)O 62a_100000730704_100000744096 [0,2,0,0,0,0|1,0,1]=4 15535 B13R1.513 C=C(C)CNCc1ccc(cn1)Br 34a_100015188789_100000748629 [0,2,0,0,0,0|1,0,1]=4 15536 B13R1.513 C=C(C)CNCc1ccc(cn1)C 34a_100015187455_100000748629 [0,2,0,0,0,0|1,0,1]=4 15537 B13R1.513 C=C(C)CNCc1ccc(cn1)Cl 34a_100000697193_100000748629 [0,2,0,0,0,0|1,0,1]=4 15538 B13R1.513 C=C(C)CNCc1ccc(cn1)F 34a_100020620131_100000748629 [0,2,0,0,0,0|1,0,1]=4 15539 B13R1.513 C=C(C)COCc1ccc(cn1)Br 34a_100000210245_100000702658 [0,2,0,0,0,0|1,0,1]=4 15540 B13R1.513 C=C(C)COCc1ccc(cn1)Br 34a_100000754261_100000748629 [0,2,0,0,0,0|1,0,1]=4 15541 B13R1.513 C=C(C)COCc1ccc(cn1)C 34a_100000210245_100000691093 [0,2,0,0,0,0|1,0,1]=4 15542 B13R1.513 C=C(C)COCc1ccc(cn1)C 34a_100012001401_100000748629 [0,2,0,0,0,0|1,0,1]=4 15543 B13R1.513 C=C(C)COCc1ccc(cn1)Cl 34a_100000210245_100012066911 [0,2,0,0,0,0|1,0,1]=4 15544 B13R1.513 C=C(C)COCc1ccc(cn1)Cl 34a_100000703999_100000748629 [0,2,0,0,0,0|1,0,1]=4 15545 B13R1.513 C=C(C)COCc1ccc(cn1)F 34a_100000210245_100000703193 [0,2,0,0,0,0|1,0,1]=4 15546 B13R1.513 C=C(C)COCc1ccc(cn1)F 34a_100011999454_100000748629 [0,2,0,0,0,0|1,0,1]=4 15547 B13R1.513 C=C(C)COCc1ccc(cn1)N 34a_100011998161_100000748629 [0,2,0,0,0,0|1,0,1]=4 15548 B13R1.513 C=C(C)CSCc1ccc(cn1)Br 62a_100000702658_100000211660 [0,2,0,0,0,0|1,0,1]=4 15549 B13R1.513 C=C(C)CSCc1ccc(cn1)Br 62a_100000748629_100000702658 [0,2,0,0,0,0|1,0,1]=4 15550 B13R1.513 C=C(C)CSCc1ccc(cn1)C 62a_100000691093_100000211660 [0,2,0,0,0,0|1,0,1]=4 15551 B13R1.513 C=C(C)CSCc1ccc(cn1)C 62a_100000748629_100000691093 [0,2,0,0,0,0|1,0,1]=4 15552 B13R1.513 C=C(C)CSCc1ccc(cn1)Cl 62a_100000748629_100000697101 [0,2,0,0,0,0|1,0,1]=4 15553 B13R1.513 C=C(C)CSCc1ccc(cn1)Cl 62a_100012066911_100000211660 [0,2,0,0,0,0|1,0,1]=4 15554 B13R1.513 C=C(C)CSCc1ccc(cn1)F 62a_100000703193_100000211660 [0,2,0,0,0,0|1,0,1]=4 15555 B13R1.513 C=C(C)CSCc1ccc(cn1)F 62a_100000748629_100000703193 [0,2,0,0,0,0|1,0,1]=4 15556 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,2,0,0,0,0|1,0,1]=4 15557 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,2,0,0,0,0|1,0,1]=4 15558 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,2,0,0,0,0|1,0,1]=4 15559 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,2,0,0,0,0|1,0,1]=4 15560 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,2,0,0,0,0|1,0,1]=4 15561 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,2,0,0,0,0|1,0,1]=4 15562 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,2,0,0,0,0|1,0,1]=4 15563 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,2,0,0,0,0|1,0,1]=4 15564 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,2,0,0,0,0|1,0,1]=4 15565 B13R1.513 CC(=O)CCSc1ccc(cn1)Br 62a_100000053229_100000686858 [0,2,0,0,0,0|1,0,1]=4 15566 B13R1.513 CC(=O)CCSc1ccc(cn1)Br 62a_100000686858_100000053229 [0,2,0,0,0,0|1,0,1]=4 15567 B13R1.513 CC(=O)CCSc1ccc(cn1)C 62a_100000053229_100000754016 [0,2,0,0,0,0|1,0,1]=4 15568 B13R1.513 CC(=O)CCSc1ccc(cn1)C 62a_100011192072_100000053229 [0,2,0,0,0,0|1,0,1]=4 15569 B13R1.513 CC(=O)CCSc1ccc(cn1)Cl 62a_100000053229_100011356976 [0,2,0,0,0,0|1,0,1]=4 15570 B13R1.513 CC(=O)CCSc1ccc(cn1)Cl 62a_100011356976_100000053229 [0,2,0,0,0,0|1,0,1]=4 15571 B13R1.513 CC(=O)CCSc1ccc(cn1)F 62a_100000053229_100000744514 [0,2,0,0,0,0|1,0,1]=4 15572 B13R1.513 CC(=O)CCSc1ccc(cn1)F 62a_100000744514_100000053229 [0,2,0,0,0,0|1,0,1]=4 15573 B13R1.513 CC(=O)CCSc1ccc(cn1)N 62a_100000053229_100000737798 [0,2,0,0,0,0|1,0,1]=4 15574 B13R1.513 CC(=O)CCSc1ccc(cn1)N 62a_100000737798_100000053229 [0,2,0,0,0,0|1,0,1]=4 15575 B13R1.513 CC(=O)CCSc1ccc(cn1)O 62a_100000053229_100000744096 [0,2,0,0,0,0|1,0,1]=4 15576 B13R1.513 CC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000053229 [0,2,0,0,0,0|1,0,1]=4 15577 B13R1.513 CC(=O)COCc1ccc(cn1)Br 34a_100000211253_100000702658 [0,2,0,0,0,0|1,0,1]=4 15578 B13R1.513 CC(=O)COCc1ccc(cn1)C 34a_100000211253_100000691093 [0,2,0,0,0,0|1,0,1]=4 15579 B13R1.513 CC(=O)COCc1ccc(cn1)Cl 34a_100000211253_100012066911 [0,2,0,0,0,0|1,0,1]=4 15580 B13R1.513 CC(=O)COCc1ccc(cn1)F 34a_100000211253_100000703193 [0,2,0,0,0,0|1,0,1]=4 15581 B13R1.513 CC(Br)COCc1ccc(cc1)Br 34a_100012180447_100000189115 [0,2,0,0,0,0|2,0,0]=4 15582 B13R1.513 CC(Br)COCc1ccc(cc1)Cl 34a_100012180447_100000694040 [0,2,0,0,0,0|2,0,0]=4 15583 B13R1.513 CC(Br)COCc1ccc(cc1)F 34a_100012180447_100000198546 [0,2,0,0,0,0|2,0,0]=4 15584 B13R1.513 CC(Br)COCc1ccc(cc1)I 34a_100012180447_100000189116 [0,2,0,0,0,0|2,0,0]=4 15585 B13R1.513 CC(Br)COCc1ccc(cn1)Br 34a_100012180447_100000702658 [0,2,0,0,0,0|1,0,0]=3 15586 B13R1.513 CC(Br)COCc1ccc(cn1)Cl 34a_100012180447_100012066911 [0,2,0,0,0,0|1,0,0]=3 15587 B13R1.513 CC(Br)COCc1ccc(cn1)F 34a_100012180447_100000703193 [0,2,0,0,0,0|1,0,0]=3 15588 B13R1.513 CC(Br)COCc1ccc(nn1)Cl 34a_100012180447_100016992710 [0,2,0,0,0,0|2,0,0]=4 15589 B13R1.513 CC(Br)COCc1ncc(cn1)Br 34a_100012180447_100010064664 [0,2,0,0,0,0|2,0,0]=4 15590 B13R1.513 CC(C)CC=Cc1ccc(cn1)Br 271570a_100016259101_100000686858 [0,2,0,0,0,0|0,0,2]=4 15591 B13R1.513 CC(C)CC=Cc1ccc(cn1)Cl 271570a_100016259101_100011356976 [0,2,0,0,0,0|0,0,2]=4 15592 B13R1.513 CC(C)CC=Cc1ccc(cn1)F 271570a_100016259101_100000744514 [0,2,0,0,0,0|0,0,2]=4 15593 B13R1.513 CC(C)CC=Cc1ccc(cn1)N 271570a_100016259101_100000744251 [0,2,0,0,0,0|0,0,2]=4 15594 B13R1.513 CC(C)CC=Cc1ccc(cn1)O 271570a_100016259101_100000685995 [0,2,0,0,0,0|0,0,2]=4 15595 B13R1.513 CC(C)CCNc1ccc(cc1)Br 2230a_100000210018_100000210312 [0,2,0,0,0,0|2,0,0]=4 15596 B13R1.513 CC(C)CCNc1ccc(cc1)Br 34a_100000210018_100000210312 [0,2,0,0,0,0|2,0,0]=4 15597 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000210312 [0,2,0,0,0,0|2,0,0]=4 15598 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000210312 [0,2,0,0,0,0|2,0,0]=4 15599 B13R1.513 CC(C)CCNc1ccc(cc1)F 34a_100000185862_100000210312 [0,2,0,0,0,0|2,0,0]=4 15600 B13R1.513 CC(C)CCNc1ccc(cc1)I 34a_100000185761_100000210312 [0,2,0,0,0,0|2,0,0]=4 15601 B13R1.513 CC(C)CCNc1ccc(cc1)O 34a_100000185829_100000210312 [0,2,0,0,0,0|2,0,0]=4 15602 B13R1.513 CC(C)CCNc1ccc(cn1)Br 27a_100000210545_100000686858 [0,2,0,0,0,0|1,0,0]=3 15603 B13R1.513 CC(C)CCNc1cnc(cn1)Br 27a_100000210545_100010187541 [0,2,0,0,0,0|2,0,0]=4 15604 B13R1.513 CC(C)CCNc1cnc(cn1)F 27a_100000210545_100009856528 [0,2,0,0,0,0|2,0,0]=4 15605 B13R1.513 CC(C)CCNc1ncc(cn1)Br 27a_100000210545_100000690281 [0,2,0,0,0,0|2,0,0]=4 15606 B13R1.513 CC(C)CCNc1ncc(cn1)Cl 27a_100000210545_100011356929 [0,2,0,0,0,0|2,0,0]=4 15607 B13R1.513 CC(C)CCNc1ncc(cn1)F 27a_100000210545_100000685220 [0,2,0,0,0,0|2,0,0]=4 15608 B13R1.513 CC(C)CCOc1ccc(cc1)Br 34a_100000185759_100000210312 [0,2,0,0,0,0|2,0,0]=4 15609 B13R1.513 CC(C)CCOc1ccc(cc1)Br 7a_100000185759_100000210626 [0,2,0,0,0,0|2,0,0]=4 15610 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000210312 [0,2,0,0,0,0|2,0,0]=4 15611 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000210626 [0,2,0,0,0,0|2,0,0]=4 15612 B13R1.513 CC(C)CCOc1ccc(cc1)F 34a_100000210339_100000210312 [0,2,0,0,0,0|2,0,0]=4 15613 B13R1.513 CC(C)CCOc1ccc(cc1)I 34a_100000212066_100000210312 [0,2,0,0,0,0|2,0,0]=4 15614 B13R1.513 CC(C)CCOc1ccc(cc1)I 7a_100000212066_100000210626 [0,2,0,0,0,0|2,0,0]=4 15615 B13R1.513 CC(C)CCOc1ccc(cc1)N 34a_100000185829_100000210312 [0,2,0,0,0,0|2,0,0]=4 15616 B13R1.513 CC(C)CCOc1ccc(cn1)Cl 34a_100011215309_100000210312 [0,2,0,0,0,0|1,0,0]=3 15617 B13R1.513 CC(C)CCOc1ccc(cn1)F 34a_100000742473_100000210312 [0,2,0,0,0,0|1,0,0]=3 15618 B13R1.513 CC(C)CCOc1ccc(cn1)N 34a_100000729260_100000210312 [0,2,0,0,0,0|1,0,0]=3 15619 B13R1.513 CC(C)CCOc1cnc(cn1)Br 34a_100011934580_100000210312 [0,2,0,0,0,0|2,0,0]=4 15620 B13R1.513 CC(C)CCOc1cnc(cn1)Cl 34a_100015839800_100000210312 [0,2,0,0,0,0|2,0,0]=4 15621 B13R1.513 CC(C)CCOc1ncc(cn1)F 34a_100011934040_100000210312 [0,2,0,0,0,0|2,0,0]=4 15622 B13R1.513 CC(C)CCSc1ccc(=O)[nH]n1 62a_100000210312_100009820020 [0,2,0,0,0,0|2,0,0]=4 15623 B13R1.513 CC(C)CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210312 [0,2,0,0,0,0|2,0,0]=4 15624 B13R1.513 CC(C)CCSc1ccc(cc1)Br 62a_100000210312_100000752885 [0,2,0,0,0,0|2,0,0]=4 15625 B13R1.513 CC(C)CCSc1ccc(cc1)Br 62a_100000752885_100000210312 [0,2,0,0,0,0|2,0,0]=4 15626 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000210312_100000755918 [0,2,0,0,0,0|2,0,0]=4 15627 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000210312 [0,2,0,0,0,0|2,0,0]=4 15628 B13R1.513 CC(C)CCSc1ccc(cc1)F 62a_100000210312_100000211213 [0,2,0,0,0,0|2,0,0]=4 15629 B13R1.513 CC(C)CCSc1ccc(cc1)F 62a_100000211213_100000210312 [0,2,0,0,0,0|2,0,0]=4 15630 B13R1.513 CC(C)CCSc1ccc(cc1)N 62a_100000185761_100000210312 [0,2,0,0,0,0|2,0,0]=4 15631 B13R1.513 CC(C)CCSc1ccc(cc1)N 62a_100000210312_100000185761 [0,2,0,0,0,0|2,0,0]=4 15632 B13R1.513 CC(C)CCSc1ccc(cc1)O 271570a_203496583355_200009813137 [0,2,0,0,0,0|2,0,0]=4 15633 B13R1.513 CC(C)CCSc1ccc(cc1)O 62a_100000210312_100000185759 [0,2,0,0,0,0|2,0,0]=4 15634 B13R1.513 CC(C)CCSc1ccc(cn1)Br 62a_100000210312_100000686858 [0,2,0,0,0,0|1,0,0]=3 15635 B13R1.513 CC(C)CCSc1ccc(cn1)Br 62a_100000686858_100000210312 [0,2,0,0,0,0|1,0,0]=3 15636 B13R1.513 CC(C)CCSc1ccc(cn1)Cl 62a_100000210312_100011356976 [0,2,0,0,0,0|1,0,0]=3 15637 B13R1.513 CC(C)CCSc1ccc(cn1)Cl 62a_100011356976_100000210312 [0,2,0,0,0,0|1,0,0]=3 15638 B13R1.513 CC(C)CCSc1ccc(cn1)F 62a_100000210312_100000744514 [0,2,0,0,0,0|1,0,0]=3 15639 B13R1.513 CC(C)CCSc1ccc(cn1)F 62a_100000744514_100000210312 [0,2,0,0,0,0|1,0,0]=3 15640 B13R1.513 CC(C)CCSc1ccc(cn1)N 62a_100000210312_100000737798 [0,2,0,0,0,0|1,0,0]=3 15641 B13R1.513 CC(C)CCSc1ccc(cn1)N 62a_100000737798_100000210312 [0,2,0,0,0,0|1,0,0]=3 15642 B13R1.513 CC(C)CCSc1ccc(cn1)O 62a_100000210312_100000744096 [0,2,0,0,0,0|1,0,0]=3 15643 B13R1.513 CC(C)CCSc1ccc(cn1)O 62a_100000685995_100000210312 [0,2,0,0,0,0|1,0,0]=3 15644 B13R1.513 CC(C)CCSc1ccc(nn1)Cl 62a_100000068654_100000210312 [0,2,0,0,0,0|2,0,0]=4 15645 B13R1.513 CC(C)CCSc1ccc(nn1)Cl 62a_100000210312_100000068654 [0,2,0,0,0,0|2,0,0]=4 15646 B13R1.513 CC(C)CCSc1ccc(nn1)N 62a_100000210312_100010219413 [0,2,0,0,0,0|2,0,0]=4 15647 B13R1.513 CC(C)CCSc1ccc(nn1)N 62a_100010219413_100000210312 [0,2,0,0,0,0|2,0,0]=4 15648 B13R1.513 CC(C)CCSc1cnc(cn1)Br 62a_100000210312_100010187541 [0,2,0,0,0,0|2,0,0]=4 15649 B13R1.513 CC(C)CCSc1cnc(cn1)Br 62a_100010187541_100000210312 [0,2,0,0,0,0|2,0,0]=4 15650 B13R1.513 CC(C)CCSc1cnc(cn1)Cl 62a_100000210312_100010214907 [0,2,0,0,0,0|2,0,0]=4 15651 B13R1.513 CC(C)CCSc1cnc(cn1)Cl 62a_100010214907_100000210312 [0,2,0,0,0,0|2,0,0]=4 15652 B13R1.513 CC(C)CCSc1cnc(cn1)F 62a_100000210312_100009856528 [0,2,0,0,0,0|2,0,0]=4 15653 B13R1.513 CC(C)CCSc1cnc(cn1)F 62a_100009856528_100000210312 [0,2,0,0,0,0|2,0,0]=4 15654 B13R1.513 CC(C)CCSc1cnc(cn1)N 62a_100000210312_100000744751 [0,2,0,0,0,0|2,0,0]=4 15655 B13R1.513 CC(C)CCSc1cnc(cn1)N 62a_100000744751_100000210312 [0,2,0,0,0,0|2,0,0]=4 15656 B13R1.513 CC(C)CCSc1cnc(cn1)O 62a_100000210312_100015839800 [0,2,0,0,0,0|2,0,0]=4 15657 B13R1.513 CC(C)CCSc1cnc(cn1)O 62a_100011934580_100000210312 [0,2,0,0,0,0|2,0,0]=4 15658 B13R1.513 CC(C)CCSc1ncc(cn1)Br 62a_100000210312_100000690281 [0,2,0,0,0,0|2,0,0]=4 15659 B13R1.513 CC(C)CCSc1ncc(cn1)Br 62a_100000690281_100000210312 [0,2,0,0,0,0|2,0,0]=4 15660 B13R1.513 CC(C)CCSc1ncc(cn1)Cl 62a_100000210312_100011356929 [0,2,0,0,0,0|2,0,0]=4 15661 B13R1.513 CC(C)CCSc1ncc(cn1)Cl 62a_100011356929_100000210312 [0,2,0,0,0,0|2,0,0]=4 15662 B13R1.513 CC(C)CCSc1ncc(cn1)F 62a_100000210312_100000685220 [0,2,0,0,0,0|2,0,0]=4 15663 B13R1.513 CC(C)CCSc1ncc(cn1)F 62a_100000685220_100000210312 [0,2,0,0,0,0|2,0,0]=4 15664 B13R1.513 CC(C)CCSc1ncc(cn1)N 62a_100000068403_100000210312 [0,2,0,0,0,0|2,0,0]=4 15665 B13R1.513 CC(C)CCSc1ncc(cn1)N 62a_100000210312_100000068403 [0,2,0,0,0,0|2,0,0]=4 15666 B13R1.513 CC(C)CCSc1ncc(cn1)O 62a_100000210312_100000092845 [0,2,0,0,0,0|2,0,0]=4 15667 B13R1.513 CC(C)CCSc1ncc(cn1)O 62a_100000730009_100000210312 [0,2,0,0,0,0|2,0,0]=4 15668 B13R1.513 CC(C)CNCc1ccc(=O)[nH]n1 207a_100000210953_100011361533 [0,2,0,0,0,0|2,0,0]=4 15669 B13R1.513 CC(C)CNCc1ccc(=O)[nH]n1 270004a_100000210953_100011361533 [0,2,0,0,0,0|2,0,0]=4 15670 B13R1.513 CC(C)CNCc1ccc(cc1)Br 207a_100000210953_100000186029 [0,2,0,0,0,0|2,0,0]=4 15671 B13R1.513 CC(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000210760 [0,2,0,0,0,0|2,0,0]=4 15672 B13R1.513 CC(C)CNCc1ccc(cc1)Br 2230a_100000210953_100011217064 [0,2,0,0,0,0|2,0,0]=4 15673 B13R1.513 CC(C)CNCc1ccc(cc1)Br 26a_100000210953_100000185759 [0,2,0,0,0,0|2,0,0]=4 15674 B13R1.513 CC(C)CNCc1ccc(cc1)Br 270004a_100000174875_100000210432 [0,2,0,0,0,0|2,0,0]=4 15675 B13R1.513 CC(C)CNCc1ccc(cc1)Br 270004a_100000210953_100000186029 [0,2,0,0,0,0|2,0,0]=4 15676 B13R1.513 CC(C)CNCc1ccc(cc1)Br 34a_100000174875_100000210624 [0,2,0,0,0,0|2,0,0]=4 15677 B13R1.513 CC(C)CNCc1ccc(cc1)Br 34a_100000210953_100000189115 [0,2,0,0,0,0|2,0,0]=4 15678 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 207a_100000210953_100000189385 [0,2,0,0,0,0|2,0,0]=4 15679 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000210760 [0,2,0,0,0,0|2,0,0]=4 15680 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000210953_100000694040 [0,2,0,0,0,0|2,0,0]=4 15681 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000210432 [0,2,0,0,0,0|2,0,0]=4 15682 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000210953_100000189385 [0,2,0,0,0,0|2,0,0]=4 15683 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000210624 [0,2,0,0,0,0|2,0,0]=4 15684 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000210953_100000694040 [0,2,0,0,0,0|2,0,0]=4 15685 B13R1.513 CC(C)CNCc1ccc(cc1)F 207a_100000210953_100000210084 [0,2,0,0,0,0|2,0,0]=4 15686 B13R1.513 CC(C)CNCc1ccc(cc1)F 2230a_100000174882_100000210760 [0,2,0,0,0,0|2,0,0]=4 15687 B13R1.513 CC(C)CNCc1ccc(cc1)F 2230a_100000210953_100000198546 [0,2,0,0,0,0|2,0,0]=4 15688 B13R1.513 CC(C)CNCc1ccc(cc1)F 270004a_100000174882_100000210432 [0,2,0,0,0,0|2,0,0]=4 15689 B13R1.513 CC(C)CNCc1ccc(cc1)F 270004a_100000210953_100000210084 [0,2,0,0,0,0|2,0,0]=4 15690 B13R1.513 CC(C)CNCc1ccc(cc1)F 34a_100000174882_100000210624 [0,2,0,0,0,0|2,0,0]=4 15691 B13R1.513 CC(C)CNCc1ccc(cc1)F 34a_100000210953_100000198546 [0,2,0,0,0,0|2,0,0]=4 15692 B13R1.513 CC(C)CNCc1ccc(cc1)I 207a_100000210953_100000188517 [0,2,0,0,0,0|2,0,0]=4 15693 B13R1.513 CC(C)CNCc1ccc(cc1)I 2230a_100000210953_100000189116 [0,2,0,0,0,0|2,0,0]=4 15694 B13R1.513 CC(C)CNCc1ccc(cc1)I 2230a_100016989417_100000210760 [0,2,0,0,0,0|2,0,0]=4 15695 B13R1.513 CC(C)CNCc1ccc(cc1)I 270004a_100016989417_100000210432 [0,2,0,0,0,0|2,0,0]=4 15696 B13R1.513 CC(C)CNCc1ccc(cc1)I 34a_100000210953_100000189116 [0,2,0,0,0,0|2,0,0]=4 15697 B13R1.513 CC(C)CNCc1ccc(cc1)I 34a_100016989417_100000210624 [0,2,0,0,0,0|2,0,0]=4 15698 B13R1.513 CC(C)CNCc1ccc(cc1)O 271570a_203496583355_100015183326 [0,2,0,0,0,0|2,0,0]=4 15699 B13R1.513 CC(C)CNCc1ccc(cc1)O 34a_100000185549_100000210624 [0,2,0,0,0,0|2,0,0]=4 15700 B13R1.513 CC(C)CNCc1ccc(cn1)Br 207a_100000210953_100000754260 [0,2,0,0,0,0|1,0,0]=3 15701 B13R1.513 CC(C)CNCc1ccc(cn1)Br 2230a_100000210953_100000702658 [0,2,0,0,0,0|1,0,0]=3 15702 B13R1.513 CC(C)CNCc1ccc(cn1)Br 270004a_100000210953_100000754260 [0,2,0,0,0,0|1,0,0]=3 15703 B13R1.513 CC(C)CNCc1ccc(cn1)Br 34a_100000210953_100000702658 [0,2,0,0,0,0|1,0,0]=3 15704 B13R1.513 CC(C)CNCc1ccc(cn1)Br 34a_100015188789_100000210624 [0,2,0,0,0,0|1,0,0]=3 15705 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 207a_100000210953_100011361569 [0,2,0,0,0,0|1,0,0]=3 15706 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 2230a_100000210953_100012066911 [0,2,0,0,0,0|1,0,0]=3 15707 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 270004a_100000210953_100011361569 [0,2,0,0,0,0|1,0,0]=3 15708 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 270004a_100000697193_100000210432 [0,2,0,0,0,0|1,0,0]=3 15709 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 34a_100000210953_100012066911 [0,2,0,0,0,0|1,0,0]=3 15710 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 34a_100000697193_100000210624 [0,2,0,0,0,0|1,0,0]=3 15711 B13R1.513 CC(C)CNCc1ccc(cn1)F 207a_100000210953_100011934744 [0,2,0,0,0,0|1,0,0]=3 15712 B13R1.513 CC(C)CNCc1ccc(cn1)F 2230a_100000210953_100000703193 [0,2,0,0,0,0|1,0,0]=3 15713 B13R1.513 CC(C)CNCc1ccc(cn1)F 270004a_100000210953_100011934744 [0,2,0,0,0,0|1,0,0]=3 15714 B13R1.513 CC(C)CNCc1ccc(cn1)F 34a_100000210953_100000703193 [0,2,0,0,0,0|1,0,0]=3 15715 B13R1.513 CC(C)CNCc1ccc(cn1)F 34a_100020620131_100000210624 [0,2,0,0,0,0|1,0,0]=3 15716 B13R1.513 CC(C)CNCc1ccc(nn1)Cl 2230a_100000210953_100016992710 [0,2,0,0,0,0|2,0,0]=4 15717 B13R1.513 CC(C)CNCc1ccc(nn1)Cl 270004a_100000210953_100000044651 [0,2,0,0,0,0|2,0,0]=4 15718 B13R1.513 CC(C)CNCc1ccc(nn1)Cl 34a_100000210953_100016992710 [0,2,0,0,0,0|2,0,0]=4 15719 B13R1.513 CC(C)CNCc1cnc(cn1)Cl 270004a_100000210953_100012001714 [0,2,0,0,0,0|2,0,0]=4 15720 B13R1.513 CC(C)CNCc1ncc(cn1)Br 34a_100000210953_100010064664 [0,2,0,0,0,0|2,0,0]=4 15721 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000210257_100000189115 [0,2,0,0,0,0|2,0,0]=4 15722 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000695286_100000210624 [0,2,0,0,0,0|2,0,0]=4 15723 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000210257_100000694040 [0,2,0,0,0,0|2,0,0]=4 15724 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000211118_100000210624 [0,2,0,0,0,0|2,0,0]=4 15725 B13R1.513 CC(C)COCc1ccc(cc1)Cl 7a_100000211118_100000210760 [0,2,0,0,0,0|2,0,0]=4 15726 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210257_100000198546 [0,2,0,0,0,0|2,0,0]=4 15727 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210977_100000210624 [0,2,0,0,0,0|2,0,0]=4 15728 B13R1.513 CC(C)COCc1ccc(cc1)F 7a_100000210977_100000210760 [0,2,0,0,0,0|2,0,0]=4 15729 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000210257_100000189116 [0,2,0,0,0,0|2,0,0]=4 15730 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000690907_100000210624 [0,2,0,0,0,0|2,0,0]=4 15731 B13R1.513 CC(C)COCc1ccc(cc1)I 7a_100000690907_100000210760 [0,2,0,0,0,0|2,0,0]=4 15732 B13R1.513 CC(C)COCc1ccc(cc1)N 34a_100011215238_100000210624 [0,2,0,0,0,0|2,0,0]=4 15733 B13R1.513 CC(C)COCc1ccc(cn1)Br 34a_100000210257_100000702658 [0,2,0,0,0,0|1,0,0]=3 15734 B13R1.513 CC(C)COCc1ccc(cn1)Br 34a_100000754261_100000210624 [0,2,0,0,0,0|1,0,0]=3 15735 B13R1.513 CC(C)COCc1ccc(cn1)Cl 34a_100000210257_100012066911 [0,2,0,0,0,0|1,0,0]=3 15736 B13R1.513 CC(C)COCc1ccc(cn1)Cl 34a_100000703999_100000210624 [0,2,0,0,0,0|1,0,0]=3 15737 B13R1.513 CC(C)COCc1ccc(cn1)F 34a_100000210257_100000703193 [0,2,0,0,0,0|1,0,0]=3 15738 B13R1.513 CC(C)COCc1ccc(cn1)F 34a_100011999454_100000210624 [0,2,0,0,0,0|1,0,0]=3 15739 B13R1.513 CC(C)COCc1ccc(cn1)N 34a_100011998161_100000210624 [0,2,0,0,0,0|1,0,0]=3 15740 B13R1.513 CC(C)COCc1ccc(nn1)Cl 34a_100000210257_100016992710 [0,2,0,0,0,0|2,0,0]=4 15741 B13R1.513 CC(C)COCc1cnc(cn1)Cl 34a_100012002382_100000210624 [0,2,0,0,0,0|2,0,0]=4 15742 B13R1.513 CC(C)COCc1ncc(cn1)Br 34a_100000210257_100010064664 [0,2,0,0,0,0|2,0,0]=4 15743 B13R1.513 CC(C)CSCc1ccc(cc1)Br 62a_100000189115_100000210760 [0,2,0,0,0,0|2,0,0]=4 15744 B13R1.513 CC(C)CSCc1ccc(cc1)Br 62a_100000210624_100000189115 [0,2,0,0,0,0|2,0,0]=4 15745 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000210760 [0,2,0,0,0,0|2,0,0]=4 15746 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000210624_100000187161 [0,2,0,0,0,0|2,0,0]=4 15747 B13R1.513 CC(C)CSCc1ccc(cc1)F 62a_100000198546_100000210760 [0,2,0,0,0,0|2,0,0]=4 15748 B13R1.513 CC(C)CSCc1ccc(cc1)F 62a_100000210624_100000187164 [0,2,0,0,0,0|2,0,0]=4 15749 B13R1.513 CC(C)CSCc1ccc(cc1)I 62a_100000189116_100000210760 [0,2,0,0,0,0|2,0,0]=4 15750 B13R1.513 CC(C)CSCc1ccc(cc1)I 62a_100000210624_100000189116 [0,2,0,0,0,0|2,0,0]=4 15751 B13R1.513 CC(C)CSCc1ccc(cn1)Br 62a_100000210624_100000702658 [0,2,0,0,0,0|1,0,0]=3 15752 B13R1.513 CC(C)CSCc1ccc(cn1)Br 62a_100000702658_100000210760 [0,2,0,0,0,0|1,0,0]=3 15753 B13R1.513 CC(C)CSCc1ccc(cn1)Cl 62a_100000210624_100000697101 [0,2,0,0,0,0|1,0,0]=3 15754 B13R1.513 CC(C)CSCc1ccc(cn1)Cl 62a_100012066911_100000210760 [0,2,0,0,0,0|1,0,0]=3 15755 B13R1.513 CC(C)CSCc1ccc(cn1)F 62a_100000210624_100000703193 [0,2,0,0,0,0|1,0,0]=3 15756 B13R1.513 CC(C)CSCc1ccc(cn1)F 62a_100000703193_100000210760 [0,2,0,0,0,0|1,0,0]=3 15757 B13R1.513 CC(C)CSCc1ccc(nn1)Cl 62a_100000210624_100016992710 [0,2,0,0,0,0|2,0,0]=4 15758 B13R1.513 CC(C)CSCc1ccc(nn1)Cl 62a_100016992710_100000210760 [0,2,0,0,0,0|2,0,0]=4 15759 B13R1.513 CC(C)CSCc1ncc(cn1)Br 62a_100000210624_100010064664 [0,2,0,0,0,0|2,0,0]=4 15760 B13R1.513 CC(C)CSCc1ncc(cn1)Br 62a_100010064664_100000210760 [0,2,0,0,0,0|2,0,0]=4 15761 B13R1.513 CC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000210206 [0,2,0,0,0,0|2,0,0]=4 15762 B13R1.513 CC(C)NCCc1ccc(cc1)Br 2230a_100138425928_100011740612 [0,2,0,0,0,0|2,0,0]=4 15763 B13R1.513 CC(C)NCCc1ccc(cc1)Br 34a_100000755846_100000210206 [0,2,0,0,0,0|2,0,0]=4 15764 B13R1.513 CC(C)NCCc1ccc(cc1)Br 34a_100138425928_100011740612 [0,2,0,0,0,0|2,0,0]=4 15765 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000210206 [0,2,0,0,0,0|2,0,0]=4 15766 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100138425928_100011713675 [0,2,0,0,0,0|2,0,0]=4 15767 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000210206 [0,2,0,0,0,0|2,0,0]=4 15768 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100138425928_100011713675 [0,2,0,0,0,0|2,0,0]=4 15769 B13R1.513 CC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000210206 [0,2,0,0,0,0|2,0,0]=4 15770 B13R1.513 CC(C)NCCc1ccc(cc1)F 2230a_100138425928_100011217392 [0,2,0,0,0,0|2,0,0]=4 15771 B13R1.513 CC(C)NCCc1ccc(cc1)F 34a_100000199005_100000210206 [0,2,0,0,0,0|2,0,0]=4 15772 B13R1.513 CC(C)NCCc1ccc(cc1)F 34a_100138425928_100011217392 [0,2,0,0,0,0|2,0,0]=4 15773 B13R1.513 CC(C)NCCc1ccc(cc1)O 2230a_100138425928_100009816426 [0,2,0,0,0,0|2,0,0]=4 15774 B13R1.513 CC(C)NCCc1ccc(cc1)O 34a_100000743037_100000210206 [0,2,0,0,0,0|2,0,0]=4 15775 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000212225_100011740612 [0,2,0,0,0,0|2,0,0]=4 15776 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000766406_100000210206 [0,2,0,0,0,0|2,0,0]=4 15777 B13R1.513 CC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000210206 [0,2,0,0,0,0|2,0,0]=4 15778 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100000212225_100011713675 [0,2,0,0,0,0|2,0,0]=4 15779 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000210206 [0,2,0,0,0,0|2,0,0]=4 15780 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000210206 [0,2,0,0,0,0|2,0,0]=4 15781 B13R1.513 CC(C)OCCc1ccc(cc1)F 34a_100000212225_100011217392 [0,2,0,0,0,0|2,0,0]=4 15782 B13R1.513 CC(C)OCCc1ccc(cc1)F 34a_100000754732_100000210206 [0,2,0,0,0,0|2,0,0]=4 15783 B13R1.513 CC(C)OCCc1ccc(cc1)F 7a_100000754732_100000210206 [0,2,0,0,0,0|2,0,0]=4 15784 B13R1.513 CC(C)OCCc1ccc(cc1)I 34a_100012291149_100000210206 [0,2,0,0,0,0|2,0,0]=4 15785 B13R1.513 CC(C)OCCc1ccc(cc1)I 7a_100012291149_100000210206 [0,2,0,0,0,0|2,0,0]=4 15786 B13R1.513 CC(C)OCCc1ccc(cc1)N 34a_100011204434_100000210206 [0,2,0,0,0,0|2,0,0]=4 15787 B13R1.513 CC(C)OCCc1ccc(cn1)Br 34a_100012357577_100000210206 [0,2,0,0,0,0|1,0,0]=3 15788 B13R1.513 CC(C)OCOc1ccc(cn1)Cl 34a_100011215309_100000709892 [0,2,0,0,0,0|2,0,0]=4 15789 B13R1.513 CC(C)OCOc1ccc(cn1)F 34a_100000742473_100000709892 [0,2,0,0,0,0|2,0,0]=4 15790 B13R1.513 CC(C)OCOc1ccc(cn1)N 34a_100000729260_100000709892 [0,2,0,0,0,0|2,0,0]=4 15791 B13R1.513 CC(C)OCSc1ccc(cn1)Br 62a_100000686858_100000709892 [0,2,0,0,0,0|2,0,0]=4 15792 B13R1.513 CC(C)OCSc1ccc(cn1)Br 62a_100000709892_100000686858 [0,2,0,0,0,0|2,0,0]=4 15793 B13R1.513 CC(C)OCSc1ccc(cn1)Cl 62a_100000709892_100011356976 [0,2,0,0,0,0|2,0,0]=4 15794 B13R1.513 CC(C)OCSc1ccc(cn1)Cl 62a_100011356976_100000709892 [0,2,0,0,0,0|2,0,0]=4 15795 B13R1.513 CC(C)OCSc1ccc(cn1)F 62a_100000709892_100000744514 [0,2,0,0,0,0|2,0,0]=4 15796 B13R1.513 CC(C)OCSc1ccc(cn1)F 62a_100000744514_100000709892 [0,2,0,0,0,0|2,0,0]=4 15797 B13R1.513 CC(C)OCSc1ccc(cn1)N 62a_100000709892_100000737798 [0,2,0,0,0,0|2,0,0]=4 15798 B13R1.513 CC(C)OCSc1ccc(cn1)N 62a_100000737798_100000709892 [0,2,0,0,0,0|2,0,0]=4 15799 B13R1.513 CC(C)OCSc1ccc(cn1)O 62a_100000685995_100000709892 [0,2,0,0,0,0|2,0,0]=4 15800 B13R1.513 CC(C)OCSc1ccc(cn1)O 62a_100000709892_100000744096 [0,2,0,0,0,0|2,0,0]=4 15801 B13R1.513 CC(C)SCCc1ccc(cc1)Br 62a_100000210206_100011740612 [0,2,0,0,0,0|2,0,0]=4 15802 B13R1.513 CC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000210206 [0,2,0,0,0,0|2,0,0]=4 15803 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100000210206_100011713675 [0,2,0,0,0,0|2,0,0]=4 15804 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000210206 [0,2,0,0,0,0|2,0,0]=4 15805 B13R1.513 CC(C)SCCc1ccc(cc1)F 62a_100000210206_100011217392 [0,2,0,0,0,0|2,0,0]=4 15806 B13R1.513 CC(C)SCCc1ccc(cc1)F 62a_100011217392_100000210206 [0,2,0,0,0,0|2,0,0]=4 15807 B13R1.513 CC(C)SCCc1ccc(cc1)O 62a_100000210206_100009816426 [0,2,0,0,0,0|2,0,0]=4 15808 B13R1.513 CC(C)SCCc1ccc(cc1)O 62a_100009816426_100000210206 [0,2,0,0,0,0|2,0,0]=4 15809 B13R1.513 CC(F)COCc1ccc(cc1)Br 34a_100015925927_100000189115 [0,2,0,0,0,0|2,0,0]=4 15810 B13R1.513 CC(F)COCc1ccc(cc1)Cl 34a_100015925927_100000694040 [0,2,0,0,0,0|2,0,0]=4 15811 B13R1.513 CC(F)COCc1ccc(cc1)F 34a_100015925927_100000198546 [0,2,0,0,0,0|2,0,0]=4 15812 B13R1.513 CC(F)COCc1ccc(cc1)I 34a_100015925927_100000189116 [0,2,0,0,0,0|2,0,0]=4 15813 B13R1.513 CC(F)COCc1ccc(cn1)Br 34a_100015925927_100000702658 [0,2,0,0,0,0|1,0,0]=3 15814 B13R1.513 CC(F)COCc1ccc(cn1)Cl 34a_100015925927_100012066911 [0,2,0,0,0,0|1,0,0]=3 15815 B13R1.513 CC(F)COCc1ccc(cn1)F 34a_100015925927_100000703193 [0,2,0,0,0,0|1,0,0]=3 15816 B13R1.513 CC(F)COCc1ccc(nn1)Cl 34a_100015925927_100016992710 [0,2,0,0,0,0|2,0,0]=4 15817 B13R1.513 CC(F)COCc1ncc(cn1)Br 34a_100015925927_100010064664 [0,2,0,0,0,0|2,0,0]=4 15818 B13R1.513 CC(O)CCNc1ccc(cc1)Br 2230a_100000210018_100012276601 [0,2,0,0,0,0|2,0,0]=4 15819 B13R1.513 CC(O)CCNc1ccc(cc1)Br 34a_100000210018_100012276601 [0,2,0,0,0,0|2,0,0]=4 15820 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2230a_100000210052_100012276601 [0,2,0,0,0,0|2,0,0]=4 15821 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 34a_100000210052_100012276601 [0,2,0,0,0,0|2,0,0]=4 15822 B13R1.513 CC(O)CCNc1ccc(cc1)F 34a_100000185862_100012276601 [0,2,0,0,0,0|2,0,0]=4 15823 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [0,2,0,0,0,0|2,0,0]=4 15824 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [0,2,0,0,0,0|2,0,0]=4 15825 B13R1.513 CC(O)CCNc1ccc(cn1)Br 27a_200000755665_100000686858 [0,2,0,0,0,0|1,0,0]=3 15826 B13R1.513 CC(O)CCNc1cnc(cn1)Br 27a_200000755665_100010187541 [0,2,0,0,0,0|2,0,0]=4 15827 B13R1.513 CC(O)CCNc1cnc(cn1)F 27a_200000755665_100009856528 [0,2,0,0,0,0|2,0,0]=4 15828 B13R1.513 CC(O)CCNc1ncc(cn1)Br 27a_200000755665_100000690281 [0,2,0,0,0,0|2,0,0]=4 15829 B13R1.513 CC(O)CCNc1ncc(cn1)Cl 27a_200000755665_100011356929 [0,2,0,0,0,0|2,0,0]=4 15830 B13R1.513 CC(O)CCNc1ncc(cn1)F 27a_200000755665_100000685220 [0,2,0,0,0,0|2,0,0]=4 15831 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [0,2,0,0,0,0|2,0,0]=4 15832 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [0,2,0,0,0,0|2,0,0]=4 15833 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [0,2,0,0,0,0|2,0,0]=4 15834 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [0,2,0,0,0,0|2,0,0]=4 15835 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [0,2,0,0,0,0|2,0,0]=4 15836 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [0,2,0,0,0,0|2,0,0]=4 15837 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [0,2,0,0,0,0|2,0,0]=4 15838 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [0,2,0,0,0,0|2,0,0]=4 15839 B13R1.513 CC(O)CCOc1ccc(cn1)Cl 34a_100011215309_100012276601 [0,2,0,0,0,0|1,0,0]=3 15840 B13R1.513 CC(O)CCOc1ccc(cn1)F 34a_100000742473_100012276601 [0,2,0,0,0,0|1,0,0]=3 15841 B13R1.513 CC(O)CCOc1ccc(cn1)N 34a_100000729260_100012276601 [0,2,0,0,0,0|1,0,0]=3 15842 B13R1.513 CC(O)CCOc1cnc(cn1)Br 34a_100011934580_100012276601 [0,2,0,0,0,0|2,0,0]=4 15843 B13R1.513 CC(O)CCOc1cnc(cn1)Cl 34a_100015839800_100012276601 [0,2,0,0,0,0|2,0,0]=4 15844 B13R1.513 CC(O)CCOc1ncc(cn1)F 34a_100011934040_100012276601 [0,2,0,0,0,0|2,0,0]=4 15845 B13R1.513 CC(O)CCSc1ccc(=O)[nH]n1 62a_100009820020_100012276601 [0,2,0,0,0,0|2,0,0]=4 15846 B13R1.513 CC(O)CCSc1ccc(=O)[nH]n1 62a_100012276601_100009820020 [0,2,0,0,0,0|2,0,0]=4 15847 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100000752885_100012276601 [0,2,0,0,0,0|2,0,0]=4 15848 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100012276601_100000752885 [0,2,0,0,0,0|2,0,0]=4 15849 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100000755918_100012276601 [0,2,0,0,0,0|2,0,0]=4 15850 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100012276601_100000755918 [0,2,0,0,0,0|2,0,0]=4 15851 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100000211213_100012276601 [0,2,0,0,0,0|2,0,0]=4 15852 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100012276601_100000211213 [0,2,0,0,0,0|2,0,0]=4 15853 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100000185761_100012276601 [0,2,0,0,0,0|2,0,0]=4 15854 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100012276601_100000185761 [0,2,0,0,0,0|2,0,0]=4 15855 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [0,2,0,0,0,0|2,0,0]=4 15856 B13R1.513 CC(O)CCSc1ccc(cn1)Br 62a_100000686858_100012276601 [0,2,0,0,0,0|1,0,0]=3 15857 B13R1.513 CC(O)CCSc1ccc(cn1)Br 62a_100012276601_100000686858 [0,2,0,0,0,0|1,0,0]=3 15858 B13R1.513 CC(O)CCSc1ccc(cn1)Cl 62a_100011356976_100012276601 [0,2,0,0,0,0|1,0,0]=3 15859 B13R1.513 CC(O)CCSc1ccc(cn1)Cl 62a_100012276601_100011356976 [0,2,0,0,0,0|1,0,0]=3 15860 B13R1.513 CC(O)CCSc1ccc(cn1)F 62a_100000744514_100012276601 [0,2,0,0,0,0|1,0,0]=3 15861 B13R1.513 CC(O)CCSc1ccc(cn1)F 62a_100012276601_100000744514 [0,2,0,0,0,0|1,0,0]=3 15862 B13R1.513 CC(O)CCSc1ccc(cn1)N 62a_100000737798_100012276601 [0,2,0,0,0,0|1,0,0]=3 15863 B13R1.513 CC(O)CCSc1ccc(cn1)N 62a_100012276601_100000737798 [0,2,0,0,0,0|1,0,0]=3 15864 B13R1.513 CC(O)CCSc1ccc(cn1)O 62a_100000685995_100012276601 [0,2,0,0,0,0|1,0,0]=3 15865 B13R1.513 CC(O)CCSc1ccc(cn1)O 62a_100012276601_100000744096 [0,2,0,0,0,0|1,0,0]=3 15866 B13R1.513 CC(O)CCSc1ccc(nn1)Cl 62a_100000068654_100012276601 [0,2,0,0,0,0|2,0,0]=4 15867 B13R1.513 CC(O)CCSc1ccc(nn1)Cl 62a_100012276601_100000068654 [0,2,0,0,0,0|2,0,0]=4 15868 B13R1.513 CC(O)CCSc1ccc(nn1)N 62a_100010219413_100012276601 [0,2,0,0,0,0|2,0,0]=4 15869 B13R1.513 CC(O)CCSc1ccc(nn1)N 62a_100012276601_100010219413 [0,2,0,0,0,0|2,0,0]=4 15870 B13R1.513 CC(O)CCSc1cnc(cn1)Br 62a_100010187541_100012276601 [0,2,0,0,0,0|2,0,0]=4 15871 B13R1.513 CC(O)CCSc1cnc(cn1)Br 62a_100012276601_100010187541 [0,2,0,0,0,0|2,0,0]=4 15872 B13R1.513 CC(O)CCSc1cnc(cn1)Cl 62a_100010214907_100012276601 [0,2,0,0,0,0|2,0,0]=4 15873 B13R1.513 CC(O)CCSc1cnc(cn1)Cl 62a_100012276601_100010214907 [0,2,0,0,0,0|2,0,0]=4 15874 B13R1.513 CC(O)CCSc1cnc(cn1)F 62a_100009856528_100012276601 [0,2,0,0,0,0|2,0,0]=4 15875 B13R1.513 CC(O)CCSc1cnc(cn1)F 62a_100012276601_100009856528 [0,2,0,0,0,0|2,0,0]=4 15876 B13R1.513 CC(O)CCSc1cnc(cn1)N 62a_100000744751_100012276601 [0,2,0,0,0,0|2,0,0]=4 15877 B13R1.513 CC(O)CCSc1cnc(cn1)N 62a_100012276601_100000744751 [0,2,0,0,0,0|2,0,0]=4 15878 B13R1.513 CC(O)CCSc1cnc(cn1)O 62a_100011934580_100012276601 [0,2,0,0,0,0|2,0,0]=4 15879 B13R1.513 CC(O)CCSc1cnc(cn1)O 62a_100012276601_100015839800 [0,2,0,0,0,0|2,0,0]=4 15880 B13R1.513 CC(O)CCSc1ncc(cn1)Br 62a_100000690281_100012276601 [0,2,0,0,0,0|2,0,0]=4 15881 B13R1.513 CC(O)CCSc1ncc(cn1)Br 62a_100012276601_100000690281 [0,2,0,0,0,0|2,0,0]=4 15882 B13R1.513 CC(O)CCSc1ncc(cn1)Cl 62a_100011356929_100012276601 [0,2,0,0,0,0|2,0,0]=4 15883 B13R1.513 CC(O)CCSc1ncc(cn1)Cl 62a_100012276601_100011356929 [0,2,0,0,0,0|2,0,0]=4 15884 B13R1.513 CC(O)CCSc1ncc(cn1)F 62a_100000685220_100012276601 [0,2,0,0,0,0|2,0,0]=4 15885 B13R1.513 CC(O)CCSc1ncc(cn1)F 62a_100012276601_100000685220 [0,2,0,0,0,0|2,0,0]=4 15886 B13R1.513 CC(O)CCSc1ncc(cn1)N 62a_100000068403_100012276601 [0,2,0,0,0,0|2,0,0]=4 15887 B13R1.513 CC(O)CCSc1ncc(cn1)N 62a_100012276601_100000068403 [0,2,0,0,0,0|2,0,0]=4 15888 B13R1.513 CC(O)CCSc1ncc(cn1)O 62a_100000730009_100012276601 [0,2,0,0,0,0|2,0,0]=4 15889 B13R1.513 CC(O)CCSc1ncc(cn1)O 62a_100012276601_100000092845 [0,2,0,0,0,0|2,0,0]=4 15890 B13R1.513 CC(O)CNCc1ccc(=O)[nH]n1 207a_100000210904_100011361533 [0,2,0,0,0,0|2,0,0]=4 15891 B13R1.513 CC(O)CNCc1ccc(=O)[nH]n1 270004a_100000210904_100011361533 [0,2,0,0,0,0|2,0,0]=4 15892 B13R1.513 CC(O)CNCc1ccc(cc1)Br 207a_100000210904_100000186029 [0,2,0,0,0,0|2,0,0]=4 15893 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011218427 [0,2,0,0,0,0|2,0,0]=4 15894 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000210904_100011217064 [0,2,0,0,0,0|2,0,0]=4 15895 B13R1.513 CC(O)CNCc1ccc(cc1)Br 270004a_100000210904_100000186029 [0,2,0,0,0,0|2,0,0]=4 15896 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011218427 [0,2,0,0,0,0|2,0,0]=4 15897 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,2,0,0,0,0|2,0,0]=4 15898 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 207a_100000210904_100000189385 [0,2,0,0,0,0|2,0,0]=4 15899 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218427 [0,2,0,0,0,0|2,0,0]=4 15900 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000210904_100000694040 [0,2,0,0,0,0|2,0,0]=4 15901 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 270004a_100000210904_100000189385 [0,2,0,0,0,0|2,0,0]=4 15902 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218427 [0,2,0,0,0,0|2,0,0]=4 15903 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,2,0,0,0,0|2,0,0]=4 15904 B13R1.513 CC(O)CNCc1ccc(cc1)F 207a_100000210904_100000210084 [0,2,0,0,0,0|2,0,0]=4 15905 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011218427 [0,2,0,0,0,0|2,0,0]=4 15906 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000210904_100000198546 [0,2,0,0,0,0|2,0,0]=4 15907 B13R1.513 CC(O)CNCc1ccc(cc1)F 270004a_100000210904_100000210084 [0,2,0,0,0,0|2,0,0]=4 15908 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000174882_100011218427 [0,2,0,0,0,0|2,0,0]=4 15909 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000210904_100000198546 [0,2,0,0,0,0|2,0,0]=4 15910 B13R1.513 CC(O)CNCc1ccc(cc1)I 207a_100000210904_100000188517 [0,2,0,0,0,0|2,0,0]=4 15911 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100000210904_100000189116 [0,2,0,0,0,0|2,0,0]=4 15912 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218427 [0,2,0,0,0,0|2,0,0]=4 15913 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100000210904_100000189116 [0,2,0,0,0,0|2,0,0]=4 15914 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218427 [0,2,0,0,0,0|2,0,0]=4 15915 B13R1.513 CC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218427 [0,2,0,0,0,0|2,0,0]=4 15916 B13R1.513 CC(O)CNCc1ccc(cn1)Br 207a_100000210904_100000754260 [0,2,0,0,0,0|1,0,0]=3 15917 B13R1.513 CC(O)CNCc1ccc(cn1)Br 2230a_100000210904_100000702658 [0,2,0,0,0,0|1,0,0]=3 15918 B13R1.513 CC(O)CNCc1ccc(cn1)Br 270004a_100000210904_100000754260 [0,2,0,0,0,0|1,0,0]=3 15919 B13R1.513 CC(O)CNCc1ccc(cn1)Br 34a_100000210904_100000702658 [0,2,0,0,0,0|1,0,0]=3 15920 B13R1.513 CC(O)CNCc1ccc(cn1)Br 34a_100015188789_100011218427 [0,2,0,0,0,0|1,0,0]=3 15921 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 207a_100000210904_100011361569 [0,2,0,0,0,0|1,0,0]=3 15922 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 2230a_100000210904_100012066911 [0,2,0,0,0,0|1,0,0]=3 15923 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 270004a_100000210904_100011361569 [0,2,0,0,0,0|1,0,0]=3 15924 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 34a_100000210904_100012066911 [0,2,0,0,0,0|1,0,0]=3 15925 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 34a_100000697193_100011218427 [0,2,0,0,0,0|1,0,0]=3 15926 B13R1.513 CC(O)CNCc1ccc(cn1)F 207a_100000210904_100011934744 [0,2,0,0,0,0|1,0,0]=3 15927 B13R1.513 CC(O)CNCc1ccc(cn1)F 2230a_100000210904_100000703193 [0,2,0,0,0,0|1,0,0]=3 15928 B13R1.513 CC(O)CNCc1ccc(cn1)F 270004a_100000210904_100011934744 [0,2,0,0,0,0|1,0,0]=3 15929 B13R1.513 CC(O)CNCc1ccc(cn1)F 34a_100000210904_100000703193 [0,2,0,0,0,0|1,0,0]=3 15930 B13R1.513 CC(O)CNCc1ccc(cn1)F 34a_100020620131_100011218427 [0,2,0,0,0,0|1,0,0]=3 15931 B13R1.513 CC(O)CNCc1ccc(nn1)Cl 2230a_100000210904_100016992710 [0,2,0,0,0,0|2,0,0]=4 15932 B13R1.513 CC(O)CNCc1ccc(nn1)Cl 270004a_100000210904_100000044651 [0,2,0,0,0,0|2,0,0]=4 15933 B13R1.513 CC(O)CNCc1ccc(nn1)Cl 34a_100000210904_100016992710 [0,2,0,0,0,0|2,0,0]=4 15934 B13R1.513 CC(O)CNCc1cnc(cn1)Cl 270004a_100000210904_100012001714 [0,2,0,0,0,0|2,0,0]=4 15935 B13R1.513 CC(O)CNCc1ncc(cn1)Br 34a_100000210904_100010064664 [0,2,0,0,0,0|2,0,0]=4 15936 B13R1.513 CC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218427 [0,2,0,0,0,0|2,0,0]=4 15937 B13R1.513 CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218427 [0,2,0,0,0,0|2,0,0]=4 15938 B13R1.513 CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218427 [0,2,0,0,0,0|2,0,0]=4 15939 B13R1.513 CC(O)COCc1ccc(cc1)F 34a_100000210977_100011218427 [0,2,0,0,0,0|2,0,0]=4 15940 B13R1.513 CC(O)COCc1ccc(cc1)F 7a_100000210977_100011218427 [0,2,0,0,0,0|2,0,0]=4 15941 B13R1.513 CC(O)COCc1ccc(cc1)I 34a_100000690907_100011218427 [0,2,0,0,0,0|2,0,0]=4 15942 B13R1.513 CC(O)COCc1ccc(cc1)I 7a_100000690907_100011218427 [0,2,0,0,0,0|2,0,0]=4 15943 B13R1.513 CC(O)COCc1ccc(cc1)N 34a_100011215238_100011218427 [0,2,0,0,0,0|2,0,0]=4 15944 B13R1.513 CC(O)COCc1ccc(cn1)Br 34a_100000754261_100011218427 [0,2,0,0,0,0|1,0,0]=3 15945 B13R1.513 CC(O)COCc1ccc(cn1)Cl 34a_100000703999_100011218427 [0,2,0,0,0,0|1,0,0]=3 15946 B13R1.513 CC(O)COCc1ccc(cn1)F 34a_100011999454_100011218427 [0,2,0,0,0,0|1,0,0]=3 15947 B13R1.513 CC(O)COCc1ccc(cn1)N 34a_100011998161_100011218427 [0,2,0,0,0,0|1,0,0]=3 15948 B13R1.513 CC(O)COCc1cnc(cn1)Cl 34a_100012002382_100011218427 [0,2,0,0,0,0|2,0,0]=4 15949 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011218427 [0,2,0,0,0,0|2,0,0]=4 15950 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100011218427_100000189115 [0,2,0,0,0,0|2,0,0]=4 15951 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218427 [0,2,0,0,0,0|2,0,0]=4 15952 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100011218427_100000187161 [0,2,0,0,0,0|2,0,0]=4 15953 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100000198546_100011218427 [0,2,0,0,0,0|2,0,0]=4 15954 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100011218427_100000187164 [0,2,0,0,0,0|2,0,0]=4 15955 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218427 [0,2,0,0,0,0|2,0,0]=4 15956 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100011218427_100000189116 [0,2,0,0,0,0|2,0,0]=4 15957 B13R1.513 CC(O)CSCc1ccc(cn1)Br 62a_100000702658_100011218427 [0,2,0,0,0,0|1,0,0]=3 15958 B13R1.513 CC(O)CSCc1ccc(cn1)Br 62a_100011218427_100000702658 [0,2,0,0,0,0|1,0,0]=3 15959 B13R1.513 CC(O)CSCc1ccc(cn1)Cl 62a_100011218427_100000697101 [0,2,0,0,0,0|1,0,0]=3 15960 B13R1.513 CC(O)CSCc1ccc(cn1)Cl 62a_100012066911_100011218427 [0,2,0,0,0,0|1,0,0]=3 15961 B13R1.513 CC(O)CSCc1ccc(cn1)F 62a_100000703193_100011218427 [0,2,0,0,0,0|1,0,0]=3 15962 B13R1.513 CC(O)CSCc1ccc(cn1)F 62a_100011218427_100000703193 [0,2,0,0,0,0|1,0,0]=3 15963 B13R1.513 CC(O)CSCc1ccc(nn1)Cl 62a_100011218427_100016992710 [0,2,0,0,0,0|2,0,0]=4 15964 B13R1.513 CC(O)CSCc1ccc(nn1)Cl 62a_100016992710_100011218427 [0,2,0,0,0,0|2,0,0]=4 15965 B13R1.513 CC(O)CSCc1ncc(cn1)Br 62a_100010064664_100011218427 [0,2,0,0,0,0|2,0,0]=4 15966 B13R1.513 CC(O)CSCc1ncc(cn1)Br 62a_100011218427_100010064664 [0,2,0,0,0,0|2,0,0]=4 15967 B13R1.513 CN(C)CCCc1ccc(cc1)Br 2230a_100102631434_100011713682 [0,2,0,0,0,0|2,0,0]=4 15968 B13R1.513 CN(C)CCCc1ccc(cc1)Br 269982a_100102631434_100011713682 [0,2,0,0,0,0|2,0,0]=4 15969 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 2230a_100102631434_100000759440 [0,2,0,0,0,0|2,0,0]=4 15970 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 269982a_100102631434_100000759440 [0,2,0,0,0,0|2,0,0]=4 15971 B13R1.513 CN(C)CCCc1ccc(cc1)F 2230a_100102631434_200011713563 [0,2,0,0,0,0|2,0,0]=4 15972 B13R1.513 CN(C)CCCc1ccc(cc1)F 269982a_100102631434_200011713563 [0,2,0,0,0,0|2,0,0]=4 15973 B13R1.513 CN(C)CCNc1ccc(cn1)Br 27a_100000210585_100000686858 [0,2,0,0,0,0|2,0,0]=4 15974 B13R1.513 CN(C)CCNc1ccc(cn1)O 271570a_203496583355_200000726645 [0,2,0,0,0,0|2,0,0]=4 15975 B13R1.513 CN(C)CCOc1ccc(cn1)O 271570a_203496583355_100000756900 [0,2,0,0,0,0|2,0,0]=4 15976 B13R1.513 CN(C)CCSc1ccc(cn1)Br 62a_100000686858_100000755713 [0,2,0,0,0,0|2,0,0]=4 15977 B13R1.513 CN(C)CCSc1ccc(cn1)Cl 62a_100011356976_100000755713 [0,2,0,0,0,0|2,0,0]=4 15978 B13R1.513 CN(C)CCSc1ccc(cn1)F 62a_100000744514_100000755713 [0,2,0,0,0,0|2,0,0]=4 15979 B13R1.513 CN(C)CCSc1ccc(cn1)N 62a_100000737798_100000755713 [0,2,0,0,0,0|2,0,0]=4 15980 B13R1.513 CN(C)CCSc1ccc(cn1)O 62a_100000685995_100000755713 [0,2,0,0,0,0|2,0,0]=4 15981 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Br 34a_100016084084_100000189115 [0,2,0,0,0,0|2,0,0]=4 15982 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Cl 34a_100016084084_100000694040 [0,2,0,0,0,0|2,0,0]=4 15983 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)F 34a_100016084084_100000198546 [0,2,0,0,0,0|2,0,0]=4 15984 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)I 34a_100016084084_100000189116 [0,2,0,0,0,0|2,0,0]=4 15985 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)Br 34a_100016084084_100000702658 [0,2,0,0,0,0|1,0,0]=3 15986 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)Cl 34a_100016084084_100012066911 [0,2,0,0,0,0|1,0,0]=3 15987 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)F 34a_100016084084_100000703193 [0,2,0,0,0,0|1,0,0]=3 15988 B13R1.513 C[C@@H](Cl)COCc1ccc(nn1)Cl 34a_100016084084_100016992710 [0,2,0,0,0,0|2,0,0]=4 15989 B13R1.513 C[C@@H](Cl)COCc1ncc(cn1)Br 34a_100016084084_100010064664 [0,2,0,0,0,0|2,0,0]=4 15990 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Br 34a_100000737577_100000189115 [0,2,0,0,0,0|2,0,0]=4 15991 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Cl 34a_100000737577_100000694040 [0,2,0,0,0,0|2,0,0]=4 15992 B13R1.513 C[C@@H](N)COCc1ccc(cc1)F 34a_100000737577_100000198546 [0,2,0,0,0,0|2,0,0]=4 15993 B13R1.513 C[C@@H](N)COCc1ccc(cc1)I 34a_100000737577_100000189116 [0,2,0,0,0,0|2,0,0]=4 15994 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Br 34a_100000737577_100000702658 [0,2,0,0,0,0|1,0,0]=3 15995 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Cl 34a_100000737577_100012066911 [0,2,0,0,0,0|1,0,0]=3 15996 B13R1.513 C[C@@H](N)COCc1ccc(cn1)F 34a_100000737577_100000703193 [0,2,0,0,0,0|1,0,0]=3 15997 B13R1.513 C[C@@H](N)COCc1ccc(nn1)Cl 34a_100000737577_100016992710 [0,2,0,0,0,0|2,0,0]=4 15998 B13R1.513 C[C@@H](N)COCc1ncc(cn1)Br 34a_100000737577_100010064664 [0,2,0,0,0,0|2,0,0]=4 15999 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 2230a_100000174875_100009817552 [0,2,0,0,0,0|2,0,0]=4 16000 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 34a_100000174875_100009817552 [0,2,0,0,0,0|2,0,0]=4 16001 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009817552 [0,2,0,0,0,0|2,0,0]=4 16002 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009817552 [0,2,0,0,0,0|2,0,0]=4 16003 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 2230a_100000174882_100009817552 [0,2,0,0,0,0|2,0,0]=4 16004 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 34a_100000174882_100009817552 [0,2,0,0,0,0|2,0,0]=4 16005 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009817552 [0,2,0,0,0,0|2,0,0]=4 16006 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009817552 [0,2,0,0,0,0|2,0,0]=4 16007 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009817552 [0,2,0,0,0,0|2,0,0]=4 16008 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Br 34a_100015188789_100009817552 [0,2,0,0,0,0|1,0,0]=3 16009 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Cl 34a_100000697193_100009817552 [0,2,0,0,0,0|1,0,0]=3 16010 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)F 34a_100020620131_100009817552 [0,2,0,0,0,0|1,0,0]=3 16011 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009817552 [0,2,0,0,0,0|2,0,0]=4 16012 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009817552 [0,2,0,0,0,0|2,0,0]=4 16013 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009817552 [0,2,0,0,0,0|2,0,0]=4 16014 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 34a_100000210977_100009817552 [0,2,0,0,0,0|2,0,0]=4 16015 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 7a_100000210977_100009817552 [0,2,0,0,0,0|2,0,0]=4 16016 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 34a_100000690907_100009817552 [0,2,0,0,0,0|2,0,0]=4 16017 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 7a_100000690907_100009817552 [0,2,0,0,0,0|2,0,0]=4 16018 B13R1.513 C[C@@H](O)COCc1ccc(cc1)N 34a_100011215238_100009817552 [0,2,0,0,0,0|2,0,0]=4 16019 B13R1.513 C[C@@H](O)COCc1ccc(cn1)Br 34a_100000754261_100009817552 [0,2,0,0,0,0|1,0,0]=3 16020 B13R1.513 C[C@@H](O)COCc1ccc(cn1)Cl 34a_100000703999_100009817552 [0,2,0,0,0,0|1,0,0]=3 16021 B13R1.513 C[C@@H](O)COCc1ccc(cn1)F 34a_100011999454_100009817552 [0,2,0,0,0,0|1,0,0]=3 16022 B13R1.513 C[C@@H](O)COCc1ccc(cn1)N 34a_100011998161_100009817552 [0,2,0,0,0,0|1,0,0]=3 16023 B13R1.513 C[C@@H](O)COCc1cnc(cn1)Cl 34a_100012002382_100009817552 [0,2,0,0,0,0|2,0,0]=4 16024 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009817552 [0,2,0,0,0,0|2,0,0]=4 16025 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100009817552_100000189115 [0,2,0,0,0,0|2,0,0]=4 16026 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009817552 [0,2,0,0,0,0|2,0,0]=4 16027 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100009817552_100000187161 [0,2,0,0,0,0|2,0,0]=4 16028 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009817552 [0,2,0,0,0,0|2,0,0]=4 16029 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100009817552_100000187164 [0,2,0,0,0,0|2,0,0]=4 16030 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009817552 [0,2,0,0,0,0|2,0,0]=4 16031 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100009817552_100000189116 [0,2,0,0,0,0|2,0,0]=4 16032 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Br 62a_100000702658_100009817552 [0,2,0,0,0,0|1,0,0]=3 16033 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Br 62a_100009817552_100000702658 [0,2,0,0,0,0|1,0,0]=3 16034 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Cl 62a_100009817552_100000697101 [0,2,0,0,0,0|1,0,0]=3 16035 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Cl 62a_100012066911_100009817552 [0,2,0,0,0,0|1,0,0]=3 16036 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)F 62a_100000703193_100009817552 [0,2,0,0,0,0|1,0,0]=3 16037 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)F 62a_100009817552_100000703193 [0,2,0,0,0,0|1,0,0]=3 16038 B13R1.513 C[C@@H](O)CSCc1ccc(nn1)Cl 62a_100009817552_100016992710 [0,2,0,0,0,0|2,0,0]=4 16039 B13R1.513 C[C@@H](O)CSCc1ccc(nn1)Cl 62a_100016992710_100009817552 [0,2,0,0,0,0|2,0,0]=4 16040 B13R1.513 C[C@@H](O)CSCc1ncc(cn1)Br 62a_100009817552_100010064664 [0,2,0,0,0,0|2,0,0]=4 16041 B13R1.513 C[C@@H](O)CSCc1ncc(cn1)Br 62a_100010064664_100009817552 [0,2,0,0,0,0|2,0,0]=4 16042 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,2,0,0,0,0|1,0,1]=4 16043 B13R1.513 Cc1ccc(cc1)CCNC(C)C 2230a_100000705350_100000210206 [0,2,0,0,0,0|2,0,0]=4 16044 B13R1.513 Cc1ccc(cc1)CCNC(C)C 2230a_100138425928_100011713686 [0,2,0,0,0,0|2,0,0]=4 16045 B13R1.513 Cc1ccc(cc1)CCNC(C)C 34a_100000705350_100000210206 [0,2,0,0,0,0|2,0,0]=4 16046 B13R1.513 Cc1ccc(cc1)CCNC(C)C 34a_100138425928_100011713686 [0,2,0,0,0,0|2,0,0]=4 16047 B13R1.513 Cc1ccc(cc1)CCOC(C)C 34a_100000212225_100011713686 [0,2,0,0,0,0|2,0,0]=4 16048 B13R1.513 Cc1ccc(cc1)CCOC(C)C 34a_100000756670_100000210206 [0,2,0,0,0,0|2,0,0]=4 16049 B13R1.513 Cc1ccc(cc1)CCOC(C)C 7a_100000756670_100000210206 [0,2,0,0,0,0|2,0,0]=4 16050 B13R1.513 Cc1ccc(cc1)CCSC(C)C 62a_100000210206_100011713686 [0,2,0,0,0,0|2,0,0]=4 16051 B13R1.513 Cc1ccc(cc1)CCSC(C)C 62a_100011713686_100000210206 [0,2,0,0,0,0|2,0,0]=4 16052 B13R1.513 Cc1ccc(cc1)CNCC(C)C 207a_100000210953_100000211033 [0,2,0,0,0,0|2,0,0]=4 16053 B13R1.513 Cc1ccc(cc1)CNCC(C)C 2230a_100000174908_100000210760 [0,2,0,0,0,0|2,0,0]=4 16054 B13R1.513 Cc1ccc(cc1)CNCC(C)C 2230a_100000210953_100000210814 [0,2,0,0,0,0|2,0,0]=4 16055 B13R1.513 Cc1ccc(cc1)CNCC(C)C 26a_100000210953_200020625495 [0,2,0,0,0,0|2,0,0]=4 16056 B13R1.513 Cc1ccc(cc1)CNCC(C)C 270004a_100000174908_100000210432 [0,2,0,0,0,0|2,0,0]=4 16057 B13R1.513 Cc1ccc(cc1)CNCC(C)C 270004a_100000210953_100000211033 [0,2,0,0,0,0|2,0,0]=4 16058 B13R1.513 Cc1ccc(cc1)CNCC(C)C 34a_100000174908_100000210624 [0,2,0,0,0,0|2,0,0]=4 16059 B13R1.513 Cc1ccc(cc1)CNCC(C)C 34a_100000210953_100000210814 [0,2,0,0,0,0|2,0,0]=4 16060 B13R1.513 Cc1ccc(cc1)CNCC(C)O 207a_100000210904_100000211033 [0,2,0,0,0,0|2,0,0]=4 16061 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000174908_100011218427 [0,2,0,0,0,0|2,0,0]=4 16062 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000210904_100000210814 [0,2,0,0,0,0|2,0,0]=4 16063 B13R1.513 Cc1ccc(cc1)CNCC(C)O 270004a_100000210904_100000211033 [0,2,0,0,0,0|2,0,0]=4 16064 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000174908_100011218427 [0,2,0,0,0,0|2,0,0]=4 16065 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000210904_100000210814 [0,2,0,0,0,0|2,0,0]=4 16066 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 2230a_100000174908_100009817552 [0,2,0,0,0,0|2,0,0]=4 16067 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 34a_100000174908_100009817552 [0,2,0,0,0,0|2,0,0]=4 16068 B13R1.513 Cc1ccc(cc1)COCC(C)Br 34a_100012180447_100000210814 [0,2,0,0,0,0|2,0,0]=4 16069 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100000210257_100000210814 [0,2,0,0,0,0|2,0,0]=4 16070 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100011215236_100000210624 [0,2,0,0,0,0|2,0,0]=4 16071 B13R1.513 Cc1ccc(cc1)COCC(C)C 7a_100011215236_100000210760 [0,2,0,0,0,0|2,0,0]=4 16072 B13R1.513 Cc1ccc(cc1)COCC(C)F 34a_100015925927_100000210814 [0,2,0,0,0,0|2,0,0]=4 16073 B13R1.513 Cc1ccc(cc1)COCC(C)O 34a_100011215236_100011218427 [0,2,0,0,0,0|2,0,0]=4 16074 B13R1.513 Cc1ccc(cc1)COCC(C)O 7a_100011215236_100011218427 [0,2,0,0,0,0|2,0,0]=4 16075 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)Cl 34a_100016084084_100000210814 [0,2,0,0,0,0|2,0,0]=4 16076 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)N 34a_100000737577_100000210814 [0,2,0,0,0,0|2,0,0]=4 16077 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 34a_100011215236_100009817552 [0,2,0,0,0,0|2,0,0]=4 16078 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 7a_100011215236_100009817552 [0,2,0,0,0,0|2,0,0]=4 16079 B13R1.513 Cc1ccc(cc1)CSCC(C)C 62a_100000210624_100000210814 [0,2,0,0,0,0|2,0,0]=4 16080 B13R1.513 Cc1ccc(cc1)CSCC(C)C 62a_100000210814_100000210760 [0,2,0,0,0,0|2,0,0]=4 16081 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100000210814_100011218427 [0,2,0,0,0,0|2,0,0]=4 16082 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100011218427_100000210814 [0,2,0,0,0,0|2,0,0]=4 16083 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100000210814_100009817552 [0,2,0,0,0,0|2,0,0]=4 16084 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100009817552_100000210814 [0,2,0,0,0,0|2,0,0]=4 16085 B13R1.513 Cc1ccc(cc1)NCCC(C)C 34a_100000124888_100000210312 [0,2,0,0,0,0|2,0,0]=4 16086 B13R1.513 Cc1ccc(cc1)NCCC(C)O 34a_100000124888_100012276601 [0,2,0,0,0,0|2,0,0]=4 16087 B13R1.513 Cc1ccc(cc1)OCCC(C)C 34a_100000210336_100000210312 [0,2,0,0,0,0|2,0,0]=4 16088 B13R1.513 Cc1ccc(cc1)OCCC(C)C 7a_100000210336_100000210626 [0,2,0,0,0,0|2,0,0]=4 16089 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [0,2,0,0,0,0|2,0,0]=4 16090 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [0,2,0,0,0,0|2,0,0]=4 16091 B13R1.513 Cc1ccc(cc1)SCCC(C)C 62a_100000186775_100000210312 [0,2,0,0,0,0|2,0,0]=4 16092 B13R1.513 Cc1ccc(cc1)SCCC(C)C 62a_100000210312_100000186775 [0,2,0,0,0,0|2,0,0]=4 16093 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100000186775_100012276601 [0,2,0,0,0,0|2,0,0]=4 16094 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100012276601_100000186775 [0,2,0,0,0,0|2,0,0]=4 16095 B13R1.513 Cc1ccc(nc1)C=CCC(C)C 271570a_100016259101_100000754016 [0,2,0,0,0,0|0,0,2]=4 16096 B13R1.513 Cc1ccc(nc1)CNCC(C)C 207a_100000210953_100000050478 [0,2,0,0,0,0|1,0,0]=3 16097 B13R1.513 Cc1ccc(nc1)CNCC(C)C 2230a_100000210953_100000691093 [0,2,0,0,0,0|1,0,0]=3 16098 B13R1.513 Cc1ccc(nc1)CNCC(C)C 270004a_100000210953_100000050478 [0,2,0,0,0,0|1,0,0]=3 16099 B13R1.513 Cc1ccc(nc1)CNCC(C)C 34a_100000210953_100000691093 [0,2,0,0,0,0|1,0,0]=3 16100 B13R1.513 Cc1ccc(nc1)CNCC(C)C 34a_100015187455_100000210624 [0,2,0,0,0,0|1,0,0]=3 16101 B13R1.513 Cc1ccc(nc1)CNCC(C)O 207a_100000210904_100000050478 [0,2,0,0,0,0|1,0,0]=3 16102 B13R1.513 Cc1ccc(nc1)CNCC(C)O 2230a_100000210904_100000691093 [0,2,0,0,0,0|1,0,0]=3 16103 B13R1.513 Cc1ccc(nc1)CNCC(C)O 270004a_100000210904_100000050478 [0,2,0,0,0,0|1,0,0]=3 16104 B13R1.513 Cc1ccc(nc1)CNCC(C)O 34a_100000210904_100000691093 [0,2,0,0,0,0|1,0,0]=3 16105 B13R1.513 Cc1ccc(nc1)CNCC(C)O 34a_100015187455_100011218427 [0,2,0,0,0,0|1,0,0]=3 16106 B13R1.513 Cc1ccc(nc1)CNCC(F)F 207a_100000765723_100000050478 [0,2,0,0,0,0|2,0,0]=4 16107 B13R1.513 Cc1ccc(nc1)CNCC(F)F 270004a_100000765723_100000050478 [0,2,0,0,0,0|2,0,0]=4 16108 B13R1.513 Cc1ccc(nc1)CNCC(F)F 34a_100000765723_100000691093 [0,2,0,0,0,0|2,0,0]=4 16109 B13R1.513 Cc1ccc(nc1)CNCC(F)F 34a_100015187455_100011934356 [0,2,0,0,0,0|2,0,0]=4 16110 B13R1.513 Cc1ccc(nc1)CNC[C@@H](C)O 34a_100015187455_100009817552 [0,2,0,0,0,0|1,0,0]=3 16111 B13R1.513 Cc1ccc(nc1)COCC(C)Br 34a_100012180447_100000691093 [0,2,0,0,0,0|1,0,0]=3 16112 B13R1.513 Cc1ccc(nc1)COCC(C)C 34a_100000210257_100000691093 [0,2,0,0,0,0|1,0,0]=3 16113 B13R1.513 Cc1ccc(nc1)COCC(C)C 34a_100012001401_100000210624 [0,2,0,0,0,0|1,0,0]=3 16114 B13R1.513 Cc1ccc(nc1)COCC(C)F 34a_100015925927_100000691093 [0,2,0,0,0,0|1,0,0]=3 16115 B13R1.513 Cc1ccc(nc1)COCC(C)O 34a_100012001401_100011218427 [0,2,0,0,0,0|1,0,0]=3 16116 B13R1.513 Cc1ccc(nc1)COCC(F)F 34a_100000743014_100000691093 [0,2,0,0,0,0|2,0,0]=4 16117 B13R1.513 Cc1ccc(nc1)COCC(F)F 34a_100012001401_100011934356 [0,2,0,0,0,0|2,0,0]=4 16118 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)Cl 34a_100016084084_100000691093 [0,2,0,0,0,0|1,0,0]=3 16119 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)N 34a_100000737577_100000691093 [0,2,0,0,0,0|1,0,0]=3 16120 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)O 34a_100012001401_100009817552 [0,2,0,0,0,0|1,0,0]=3 16121 B13R1.513 Cc1ccc(nc1)CSCC(C)C 62a_100000210624_100000691093 [0,2,0,0,0,0|1,0,0]=3 16122 B13R1.513 Cc1ccc(nc1)CSCC(C)C 62a_100000691093_100000210760 [0,2,0,0,0,0|1,0,0]=3 16123 B13R1.513 Cc1ccc(nc1)CSCC(C)O 62a_100000691093_100011218427 [0,2,0,0,0,0|1,0,0]=3 16124 B13R1.513 Cc1ccc(nc1)CSCC(C)O 62a_100011218427_100000691093 [0,2,0,0,0,0|1,0,0]=3 16125 B13R1.513 Cc1ccc(nc1)CSCC(F)F 62a_100000691093_100011934356 [0,2,0,0,0,0|2,0,0]=4 16126 B13R1.513 Cc1ccc(nc1)CSCC(F)F 62a_100011934356_100000691093 [0,2,0,0,0,0|2,0,0]=4 16127 B13R1.513 Cc1ccc(nc1)CSC[C@@H](C)O 62a_100000691093_100009817552 [0,2,0,0,0,0|1,0,0]=3 16128 B13R1.513 Cc1ccc(nc1)CSC[C@@H](C)O 62a_100009817552_100000691093 [0,2,0,0,0,0|1,0,0]=3 16129 B13R1.513 Cc1ccc(nc1)OCCC(C)C 34a_100000759353_100000210312 [0,2,0,0,0,0|1,0,0]=3 16130 B13R1.513 Cc1ccc(nc1)OCCC(C)O 34a_100000759353_100012276601 [0,2,0,0,0,0|1,0,0]=3 16131 B13R1.513 Cc1ccc(nc1)OCOC(C)C 34a_100000759353_100000709892 [0,2,0,0,0,0|2,0,0]=4 16132 B13R1.513 Cc1ccc(nc1)SCCC(C)C 62a_100000210312_100000754016 [0,2,0,0,0,0|1,0,0]=3 16133 B13R1.513 Cc1ccc(nc1)SCCC(C)C 62a_100011192072_100000210312 [0,2,0,0,0,0|1,0,0]=3 16134 B13R1.513 Cc1ccc(nc1)SCCC(C)O 62a_100011192072_100012276601 [0,2,0,0,0,0|1,0,0]=3 16135 B13R1.513 Cc1ccc(nc1)SCCC(C)O 62a_100012276601_100000754016 [0,2,0,0,0,0|1,0,0]=3 16136 B13R1.513 Cc1ccc(nc1)SCCN(C)C 62a_100011192072_100000755713 [0,2,0,0,0,0|2,0,0]=4 16137 B13R1.513 Cc1ccc(nc1)SCOC(C)C 62a_100000709892_100000754016 [0,2,0,0,0,0|2,0,0]=4 16138 B13R1.513 Cc1ccc(nc1)SCOC(C)C 62a_100011192072_100000709892 [0,2,0,0,0,0|2,0,0]=4 16139 B13R1.513 Cc1ccc(nn1)NCCC(C)C 27a_100000210545_100000744512 [0,2,0,0,0,0|2,0,0]=4 16140 B13R1.513 Cc1ccc(nn1)NCCC(C)O 27a_200000755665_100000744512 [0,2,0,0,0,0|2,0,0]=4 16141 B13R1.513 Cc1ccc(nn1)SCCC(C)C 62a_100000210312_100000744512 [0,2,0,0,0,0|2,0,0]=4 16142 B13R1.513 Cc1ccc(nn1)SCCC(C)C 62a_100000744512_100000210312 [0,2,0,0,0,0|2,0,0]=4 16143 B13R1.513 Cc1ccc(nn1)SCCC(C)O 62a_100000744512_100012276601 [0,2,0,0,0,0|2,0,0]=4 16144 B13R1.513 Cc1ccc(nn1)SCCC(C)O 62a_100012276601_100000744512 [0,2,0,0,0,0|2,0,0]=4 16145 B13R1.513 Cc1cnc(cn1)CNCC(C)C 2230a_100000210953_100000752025 [0,2,0,0,0,0|2,0,0]=4 16146 B13R1.513 Cc1cnc(cn1)CNCC(C)C 270004a_100000210953_100000685221 [0,2,0,0,0,0|2,0,0]=4 16147 B13R1.513 Cc1cnc(cn1)CNCC(C)C 34a_100132314150_100000210624 [0,2,0,0,0,0|2,0,0]=4 16148 B13R1.513 Cc1cnc(cn1)CNCC(C)O 2230a_100000210904_100000752025 [0,2,0,0,0,0|2,0,0]=4 16149 B13R1.513 Cc1cnc(cn1)CNCC(C)O 270004a_100000210904_100000685221 [0,2,0,0,0,0|2,0,0]=4 16150 B13R1.513 Cc1cnc(cn1)CNCC(C)O 34a_100132314150_100011218427 [0,2,0,0,0,0|2,0,0]=4 16151 B13R1.513 Cc1cnc(cn1)CNC[C@@H](C)O 34a_100132314150_100009817552 [0,2,0,0,0,0|2,0,0]=4 16152 B13R1.513 Cc1cnc(cn1)COCC(C)C 34a_100011273949_100000210624 [0,2,0,0,0,0|2,0,0]=4 16153 B13R1.513 Cc1cnc(cn1)COCC(C)O 34a_100011273949_100011218427 [0,2,0,0,0,0|2,0,0]=4 16154 B13R1.513 Cc1cnc(cn1)COC[C@@H](C)O 34a_100011273949_100009817552 [0,2,0,0,0,0|2,0,0]=4 16155 B13R1.513 Cc1cnc(cn1)CSCC(C)C 62a_100000210624_100000752025 [0,2,0,0,0,0|2,0,0]=4 16156 B13R1.513 Cc1cnc(cn1)CSCC(C)C 62a_100000752025_100000210760 [0,2,0,0,0,0|2,0,0]=4 16157 B13R1.513 Cc1cnc(cn1)CSCC(C)O 62a_100000752025_100011218427 [0,2,0,0,0,0|2,0,0]=4 16158 B13R1.513 Cc1cnc(cn1)CSCC(C)O 62a_100011218427_100000752025 [0,2,0,0,0,0|2,0,0]=4 16159 B13R1.513 Cc1cnc(cn1)CSC[C@@H](C)O 62a_100000752025_100009817552 [0,2,0,0,0,0|2,0,0]=4 16160 B13R1.513 Cc1cnc(cn1)CSC[C@@H](C)O 62a_100009817552_100000752025 [0,2,0,0,0,0|2,0,0]=4 16161 B13R1.513 Cc1cnc(cn1)NCCC(C)C 27a_100000210545_100000074397 [0,2,0,0,0,0|2,0,0]=4 16162 B13R1.513 Cc1cnc(cn1)NCCC(C)O 27a_200000755665_100000074397 [0,2,0,0,0,0|2,0,0]=4 16163 B13R1.513 Cc1cnc(cn1)SCCC(C)C 62a_100000210312_100011999403 [0,2,0,0,0,0|2,0,0]=4 16164 B13R1.513 Cc1cnc(cn1)SCCC(C)C 62a_100011999403_100000210312 [0,2,0,0,0,0|2,0,0]=4 16165 B13R1.513 Cc1cnc(cn1)SCCC(C)O 62a_100011999403_100012276601 [0,2,0,0,0,0|2,0,0]=4 16166 B13R1.513 Cc1cnc(cn1)SCCC(C)O 62a_100012276601_100011999403 [0,2,0,0,0,0|2,0,0]=4 16167 B13R1.513 Cc1cnc(nc1)CNCC(C)C 2230a_100000210953_100000685645 [0,2,0,0,0,0|2,0,0]=4 16168 B13R1.513 Cc1cnc(nc1)CNCC(C)C 34a_100000210953_100000685645 [0,2,0,0,0,0|2,0,0]=4 16169 B13R1.513 Cc1cnc(nc1)CNCC(C)O 2230a_100000210904_100000685645 [0,2,0,0,0,0|2,0,0]=4 16170 B13R1.513 Cc1cnc(nc1)CNCC(C)O 34a_100000210904_100000685645 [0,2,0,0,0,0|2,0,0]=4 16171 B13R1.513 Cc1cnc(nc1)COCC(C)Br 34a_100012180447_100000685645 [0,2,0,0,0,0|2,0,0]=4 16172 B13R1.513 Cc1cnc(nc1)COCC(C)C 34a_100000210257_100000685645 [0,2,0,0,0,0|2,0,0]=4 16173 B13R1.513 Cc1cnc(nc1)COCC(C)F 34a_100015925927_100000685645 [0,2,0,0,0,0|2,0,0]=4 16174 B13R1.513 Cc1cnc(nc1)COC[C@@H](C)Cl 34a_100016084084_100000685645 [0,2,0,0,0,0|2,0,0]=4 16175 B13R1.513 Cc1cnc(nc1)COC[C@@H](C)N 34a_100000737577_100000685645 [0,2,0,0,0,0|2,0,0]=4 16176 B13R1.513 Cc1cnc(nc1)CSCC(C)C 62a_100000210624_100000685645 [0,2,0,0,0,0|2,0,0]=4 16177 B13R1.513 Cc1cnc(nc1)CSCC(C)C 62a_100000685645_100000210760 [0,2,0,0,0,0|2,0,0]=4 16178 B13R1.513 Cc1cnc(nc1)CSCC(C)O 62a_100000685645_100011218427 [0,2,0,0,0,0|2,0,0]=4 16179 B13R1.513 Cc1cnc(nc1)CSCC(C)O 62a_100011218427_100000685645 [0,2,0,0,0,0|2,0,0]=4 16180 B13R1.513 Cc1cnc(nc1)CSC[C@@H](C)O 62a_100000685645_100009817552 [0,2,0,0,0,0|2,0,0]=4 16181 B13R1.513 Cc1cnc(nc1)CSC[C@@H](C)O 62a_100009817552_100000685645 [0,2,0,0,0,0|2,0,0]=4 16182 B13R1.513 Cc1cnc(nc1)NCCC(C)C 27a_100000210545_100000061069 [0,2,0,0,0,0|2,0,0]=4 16183 B13R1.513 Cc1cnc(nc1)NCCC(C)O 27a_200000755665_100000061069 [0,2,0,0,0,0|2,0,0]=4 16184 B13R1.513 Cc1cnc(nc1)SCCC(C)C 62a_100000061069_100000210312 [0,2,0,0,0,0|2,0,0]=4 16185 B13R1.513 Cc1cnc(nc1)SCCC(C)C 62a_100000210312_100000061069 [0,2,0,0,0,0|2,0,0]=4 16186 B13R1.513 Cc1cnc(nc1)SCCC(C)O 62a_100000061069_100012276601 [0,2,0,0,0,0|2,0,0]=4 16187 B13R1.513 Cc1cnc(nc1)SCCC(C)O 62a_100012276601_100000061069 [0,2,0,0,0,0|2,0,0]=4 16188 B13R1.513 FC(F)CNCc1ccc(cn1)Br 207a_100000765723_100000754260 [0,2,0,0,0,0|2,0,0]=4 16189 B13R1.513 FC(F)CNCc1ccc(cn1)Br 270004a_100000765723_100000754260 [0,2,0,0,0,0|2,0,0]=4 16190 B13R1.513 FC(F)CNCc1ccc(cn1)Br 34a_100000765723_100000702658 [0,2,0,0,0,0|2,0,0]=4 16191 B13R1.513 FC(F)CNCc1ccc(cn1)Br 34a_100015188789_100011934356 [0,2,0,0,0,0|2,0,0]=4 16192 B13R1.513 FC(F)CNCc1ccc(cn1)Cl 207a_100000765723_100011361569 [0,2,0,0,0,0|2,0,0]=4 16193 B13R1.513 FC(F)CNCc1ccc(cn1)Cl 270004a_100000765723_100011361569 [0,2,0,0,0,0|2,0,0]=4 16194 B13R1.513 FC(F)CNCc1ccc(cn1)Cl 34a_100000697193_100011934356 [0,2,0,0,0,0|2,0,0]=4 16195 B13R1.513 FC(F)CNCc1ccc(cn1)Cl 34a_100000765723_100012066911 [0,2,0,0,0,0|2,0,0]=4 16196 B13R1.513 FC(F)COCc1ccc(cn1)Br 34a_100000743014_100000702658 [0,2,0,0,0,0|2,0,0]=4 16197 B13R1.513 FC(F)COCc1ccc(cn1)Br 34a_100000754261_100011934356 [0,2,0,0,0,0|2,0,0]=4 16198 B13R1.513 FC(F)COCc1ccc(cn1)Cl 34a_100000703999_100011934356 [0,2,0,0,0,0|2,0,0]=4 16199 B13R1.513 FC(F)COCc1ccc(cn1)Cl 34a_100000743014_100012066911 [0,2,0,0,0,0|2,0,0]=4 16200 B13R1.513 FC(F)CSCc1ccc(cn1)Br 62a_100000702658_100011934356 [0,2,0,0,0,0|2,0,0]=4 16201 B13R1.513 FC(F)CSCc1ccc(cn1)Br 62a_100011934356_100000702658 [0,2,0,0,0,0|2,0,0]=4 16202 B13R1.513 FC(F)CSCc1ccc(cn1)Cl 62a_100011934356_100000697101 [0,2,0,0,0,0|2,0,0]=4 16203 B13R1.513 FC(F)CSCc1ccc(cn1)Cl 62a_100012066911_100011934356 [0,2,0,0,0,0|2,0,0]=4 16204 B13R1.513 Fc1ccc(nc1)CNCC(F)F 207a_100000765723_100011934744 [0,2,0,0,0,0|2,0,0]=4 16205 B13R1.513 Fc1ccc(nc1)CNCC(F)F 270004a_100000765723_100011934744 [0,2,0,0,0,0|2,0,0]=4 16206 B13R1.513 Fc1ccc(nc1)CNCC(F)F 34a_100000765723_100000703193 [0,2,0,0,0,0|2,0,0]=4 16207 B13R1.513 Fc1ccc(nc1)CNCC(F)F 34a_100020620131_100011934356 [0,2,0,0,0,0|2,0,0]=4 16208 B13R1.513 Fc1ccc(nc1)COCC(F)F 34a_100000743014_100000703193 [0,2,0,0,0,0|2,0,0]=4 16209 B13R1.513 Fc1ccc(nc1)COCC(F)F 34a_100011999454_100011934356 [0,2,0,0,0,0|2,0,0]=4 16210 B13R1.513 Fc1ccc(nc1)CSCC(F)F 62a_100000703193_100011934356 [0,2,0,0,0,0|2,0,0]=4 16211 B13R1.513 Fc1ccc(nc1)CSCC(F)F 62a_100011934356_100000703193 [0,2,0,0,0,0|2,0,0]=4 16212 B13R1.513 Nc1ccc(nc1)COCC(F)F 34a_100011998161_100011934356 [0,2,0,0,0,0|2,0,0]=4 16213 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,2,0,0,0,0|1,0,1]=4 16214 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,2,0,0,0,0|1,0,1]=4 16215 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,2,0,0,0,0|1,0,1]=4 16216 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,2,0,0,0,0|1,0,1]=4 16217 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,2,0,0,0,0|1,0,1]=4 16218 B13R1.669 CCCC=Cc1cc(c(cn1)Br)C 271570a_100016258520_100012356354 [0,2,0,0,0,0|0,0,2]=4 16219 B13R1.669 CCCC=Cc1cc(c(cn1)C)C 271570a_100016258520_100009850809 [0,2,0,0,0,0|0,0,2]=4 16220 B13R1.669 CCCC=Cc1cc(c(cn1)C)F 271570a_100016258520_100009841206 [0,2,0,0,0,0|0,0,2]=4 16221 B13R1.669 CCCC=Cc1cc(c(cn1)C)N 271570a_100016258520_100000690170 [0,2,0,0,0,0|0,0,2]=4 16222 B13R1.669 CCCC=Cc1cc(c(cn1)C)O 271570a_100016258520_100000704368 [0,2,0,0,0,0|0,0,2]=4 16223 B13R1.669 CCCC=Cc1cc(c(cn1)F)C 271570a_100016258520_100009818257 [0,2,0,0,0,0|0,0,2]=4 16224 B13R1.669 CCCC=Cc1cc(c(cn1)F)N 271570a_100016258520_100000126464 [0,2,0,0,0,0|0,0,2]=4 16225 B13R1.669 CCCC=Cc1cc(c(cn1)F)O 271570a_100016258520_100009854642 [0,2,0,0,0,0|0,0,2]=4 16226 B13R1.669 CCCC=Cc1cc(c(cn1)N)C 271570a_100016258520_100000765520 [0,2,0,0,0,0|0,0,2]=4 16227 B13R1.669 CCCC=Cc1cc(c(cn1)N)N 271570a_100016258520_100000067514 [0,2,0,0,0,0|0,0,2]=4 16228 B13R1.669 CCCC=Cc1cc(c(cn1)O)C 271570a_100016258520_100000692680 [0,2,0,0,0,0|0,0,2]=4 16229 B13R1.669 CCCC=Cc1cc(c(cn1)O)N 271570a_100016258520_100009819941 [0,2,0,0,0,0|0,0,2]=4 16230 B13R1.669 CCCC=Cc1ccc(c(n1)Br)O 271570a_100016258520_100000725334 [0,2,0,0,0,0|0,0,2]=4 16231 B13R1.669 CCCC=Cc1ccc(c(n1)C)Br 271570a_100016258520_100012360386 [0,2,0,0,0,0|0,0,2]=4 16232 B13R1.669 CCCC=Cc1ccc(c(n1)C)C 271570a_100016258520_100000103781 [0,2,0,0,0,0|0,0,2]=4 16233 B13R1.669 CCCC=Cc1ccc(c(n1)C)F 271570a_100016258520_100009814307 [0,2,0,0,0,0|0,0,2]=4 16234 B13R1.669 CCCC=Cc1ccc(c(n1)C)N 271570a_100016258520_100000760127 [0,2,0,0,0,0|0,0,2]=4 16235 B13R1.669 CCCC=Cc1ccc(c(n1)C)O 271570a_100016258520_100010233687 [0,2,0,0,0,0|0,0,2]=4 16236 B13R1.669 CCCC=Cc1ccc(c(n1)Cl)N 271570a_100016258520_200010233646 [0,2,0,0,0,0|0,0,2]=4 16237 B13R1.669 CCCC=Cc1ccc(c(n1)Cl)O 271570a_100016258520_100000721234 [0,2,0,0,0,0|0,0,2]=4 16238 B13R1.669 CCCC=Cc1ccc(c(n1)F)Br 271570a_100016258520_100010134343 [0,2,0,0,0,0|0,0,2]=4 16239 B13R1.669 CCCC=Cc1ccc(c(n1)F)N 271570a_100016258520_100009856439 [0,2,0,0,0,0|0,0,2]=4 16240 B13R1.669 CCCC=Cc1ccc(c(n1)F)O 271570a_100016258520_100009819667 [0,2,0,0,0,0|0,0,2]=4 16241 B13R1.669 CCCC=Cc1ccc(c(n1)N)C 271570a_100016258520_100009857032 [0,2,0,0,0,0|0,0,2]=4 16242 B13R1.669 CCCC=Cc1ccc(c(n1)N)F 271570a_100016258520_100016091773 [0,2,0,0,0,0|0,0,2]=4 16243 B13R1.669 CCCC=Cc1ccc(c(n1)N)N 271570a_100016258520_100000747239 [0,2,0,0,0,0|0,0,2]=4 16244 B13R1.669 CCCC=Cc1ccc(c(n1)N)O 271570a_100016258520_100000685527 [0,2,0,0,0,0|0,0,2]=4 16245 B13R1.669 CCCC=Cc1ccc(c(n1)O)F 271570a_100016258520_100010729010 [0,2,0,0,0,0|0,0,2]=4 16246 B13R1.669 CCCC=Cc1ccc(c(n1)O)N 271570a_100016258520_100000718904 [0,2,0,0,0,0|0,0,2]=4 16247 B13R1.669 CCCCNc1cc(=O)n(cn1)C 27a_100000102301_100012179353 [0,2,0,0,0,0|2,0,0]=4 16248 B13R1.669 CCCCNc1cc(c(cn1)C)F 27a_100000102301_100009841206 [0,2,0,0,0,0|1,0,0]=3 16249 B13R1.669 CCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210211 [0,2,0,0,0,0|2,0,0]=4 16250 B13R1.669 CCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000210210 [0,2,0,0,0,0|2,0,0]=4 16251 B13R1.669 CCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210211 [0,2,0,0,0,0|2,0,0]=4 16252 B13R1.669 CCCCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210211 [0,2,0,0,0,0|2,0,0]=4 16253 B13R1.669 CCCCNc1ccc(c(c1)Br)C 34a_100000736455_100000210210 [0,2,0,0,0,0|2,0,0]=4 16254 B13R1.669 CCCCNc1ccc(c(c1)Br)C 7a_100000736455_100000210211 [0,2,0,0,0,0|2,0,0]=4 16255 B13R1.669 CCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210211 [0,2,0,0,0,0|2,0,0]=4 16256 B13R1.669 CCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210210 [0,2,0,0,0,0|2,0,0]=4 16257 B13R1.669 CCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210211 [0,2,0,0,0,0|2,0,0]=4 16258 B13R1.669 CCCCNc1ccc(c(c1)Br)F 34a_100000760356_100000210210 [0,2,0,0,0,0|2,0,0]=4 16259 B13R1.669 CCCCNc1ccc(c(c1)Br)F 7a_100000760356_100000210211 [0,2,0,0,0,0|2,0,0]=4 16260 B13R1.669 CCCCNc1ccc(c(c1)Br)I 34a_100000750458_100000210210 [0,2,0,0,0,0|2,0,0]=4 16261 B13R1.669 CCCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210210 [0,2,0,0,0,0|2,0,0]=4 16262 B13R1.669 CCCCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210211 [0,2,0,0,0,0|2,0,0]=4 16263 B13R1.669 CCCCNc1ccc(c(c1)C)Br 34a_100000210723_100000210210 [0,2,0,0,0,0|2,0,0]=4 16264 B13R1.669 CCCCNc1ccc(c(c1)C)Br 7a_100000210723_100000210211 [0,2,0,0,0,0|2,0,0]=4 16265 B13R1.669 CCCCNc1ccc(c(c1)C)C 2230a_100000724040_100000210211 [0,2,0,0,0,0|2,0,0]=4 16266 B13R1.669 CCCCNc1ccc(c(c1)C)C 34a_100000724040_100000210210 [0,2,0,0,0,0|2,0,0]=4 16267 B13R1.669 CCCCNc1ccc(c(c1)C)C 7a_100000724040_100000210211 [0,2,0,0,0,0|2,0,0]=4 16268 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210211 [0,2,0,0,0,0|2,0,0]=4 16269 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210210 [0,2,0,0,0,0|2,0,0]=4 16270 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210211 [0,2,0,0,0,0|2,0,0]=4 16271 B13R1.669 CCCCNc1ccc(c(c1)C)F 2230a_100000750164_100000210211 [0,2,0,0,0,0|2,0,0]=4 16272 B13R1.669 CCCCNc1ccc(c(c1)C)F 34a_100000750164_100000210210 [0,2,0,0,0,0|2,0,0]=4 16273 B13R1.669 CCCCNc1ccc(c(c1)C)F 7a_100000750164_100000210211 [0,2,0,0,0,0|2,0,0]=4 16274 B13R1.669 CCCCNc1ccc(c(c1)C)I 34a_100000198070_100000210210 [0,2,0,0,0,0|2,0,0]=4 16275 B13R1.669 CCCCNc1ccc(c(c1)C)I 7a_100000198070_100000210211 [0,2,0,0,0,0|2,0,0]=4 16276 B13R1.669 CCCCNc1ccc(c(c1)C)O 34a_100011218179_100000210210 [0,2,0,0,0,0|2,0,0]=4 16277 B13R1.669 CCCCNc1ccc(c(c1)C)O 7a_100011218179_100000210211 [0,2,0,0,0,0|2,0,0]=4 16278 B13R1.669 CCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210211 [0,2,0,0,0,0|2,0,0]=4 16279 B13R1.669 CCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000210210 [0,2,0,0,0,0|2,0,0]=4 16280 B13R1.669 CCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210211 [0,2,0,0,0,0|2,0,0]=4 16281 B13R1.669 CCCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210211 [0,2,0,0,0,0|2,0,0]=4 16282 B13R1.669 CCCCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210210 [0,2,0,0,0,0|2,0,0]=4 16283 B13R1.669 CCCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210211 [0,2,0,0,0,0|2,0,0]=4 16284 B13R1.669 CCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210211 [0,2,0,0,0,0|2,0,0]=4 16285 B13R1.669 CCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210210 [0,2,0,0,0,0|2,0,0]=4 16286 B13R1.669 CCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210211 [0,2,0,0,0,0|2,0,0]=4 16287 B13R1.669 CCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000210210 [0,2,0,0,0,0|2,0,0]=4 16288 B13R1.669 CCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210211 [0,2,0,0,0,0|2,0,0]=4 16289 B13R1.669 CCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000210210 [0,2,0,0,0,0|2,0,0]=4 16290 B13R1.669 CCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210210 [0,2,0,0,0,0|2,0,0]=4 16291 B13R1.669 CCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210211 [0,2,0,0,0,0|2,0,0]=4 16292 B13R1.669 CCCCNc1ccc(c(c1)F)Br 34a_100000759894_100000210210 [0,2,0,0,0,0|2,0,0]=4 16293 B13R1.669 CCCCNc1ccc(c(c1)F)Br 7a_100000759894_100000210211 [0,2,0,0,0,0|2,0,0]=4 16294 B13R1.669 CCCCNc1ccc(c(c1)F)C 2230a_100000210958_100000210211 [0,2,0,0,0,0|2,0,0]=4 16295 B13R1.669 CCCCNc1ccc(c(c1)F)C 34a_100000210958_100000210210 [0,2,0,0,0,0|2,0,0]=4 16296 B13R1.669 CCCCNc1ccc(c(c1)F)C 7a_100000210958_100000210211 [0,2,0,0,0,0|2,0,0]=4 16297 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210211 [0,2,0,0,0,0|2,0,0]=4 16298 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210210 [0,2,0,0,0,0|2,0,0]=4 16299 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210211 [0,2,0,0,0,0|2,0,0]=4 16300 B13R1.669 CCCCNc1ccc(c(c1)F)F 2230a_100000210724_100000210211 [0,2,0,0,0,0|2,0,0]=4 16301 B13R1.669 CCCCNc1ccc(c(c1)F)F 34a_100000210724_100000210210 [0,2,0,0,0,0|2,0,0]=4 16302 B13R1.669 CCCCNc1ccc(c(c1)F)F 7a_100000210724_100000210211 [0,2,0,0,0,0|2,0,0]=4 16303 B13R1.669 CCCCNc1ccc(c(c1)F)I 34a_100011356925_100000210210 [0,2,0,0,0,0|2,0,0]=4 16304 B13R1.669 CCCCNc1ccc(c(c1)F)I 7a_100011356925_100000210211 [0,2,0,0,0,0|2,0,0]=4 16305 B13R1.669 CCCCNc1ccc(c(c1)F)O 34a_100011220035_100000210210 [0,2,0,0,0,0|2,0,0]=4 16306 B13R1.669 CCCCNc1ccc(c(c1)F)O 7a_100011220035_100000210211 [0,2,0,0,0,0|2,0,0]=4 16307 B13R1.669 CCCCNc1ccc(c(c1)I)Br 34a_100000750459_100000210210 [0,2,0,0,0,0|2,0,0]=4 16308 B13R1.669 CCCCNc1ccc(c(c1)I)C 34a_100000184131_100000210210 [0,2,0,0,0,0|2,0,0]=4 16309 B13R1.669 CCCCNc1ccc(c(c1)I)C 7a_100000184131_100000210211 [0,2,0,0,0,0|2,0,0]=4 16310 B13R1.669 CCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210210 [0,2,0,0,0,0|2,0,0]=4 16311 B13R1.669 CCCCNc1ccc(c(c1)I)F 34a_114828291077_100000210210 [0,2,0,0,0,0|2,0,0]=4 16312 B13R1.669 CCCCNc1ccc(c(c1)I)F 7a_114828291077_100000210211 [0,2,0,0,0,0|2,0,0]=4 16313 B13R1.669 CCCCNc1ccc(c(c1)O)C 34a_100000759471_100000210210 [0,2,0,0,0,0|2,0,0]=4 16314 B13R1.669 CCCCNc1ccc(c(c1)O)C 7a_100000759471_100000210211 [0,2,0,0,0,0|2,0,0]=4 16315 B13R1.669 CCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210210 [0,2,0,0,0,0|2,0,0]=4 16316 B13R1.669 CCCCNc1ccc(c(c1)O)F 34a_100012017398_100000210210 [0,2,0,0,0,0|2,0,0]=4 16317 B13R1.669 CCCCNc1ccc(c(c1)O)F 7a_100012017398_100000210211 [0,2,0,0,0,0|2,0,0]=4 16318 B13R1.669 CCCCNc1ccc(c(c1)O)O 34a_100102946323_100000210210 [0,2,0,0,0,0|2,0,0]=4 16319 B13R1.669 CCCCNc1ccc(c(n1)F)Br 27a_100000102301_100010134343 [0,2,0,0,0,0|1,0,0]=3 16320 B13R1.669 CCCCNc1cnc(c(n1)C)C 27a_100000102301_100009878948 [0,2,0,0,0,0|2,0,0]=4 16321 B13R1.669 CCCCNc1ncc(c(n1)C)Cl 27a_100000102301_100010174973 [0,2,0,0,0,0|2,0,0]=4 16322 B13R1.669 CCCCNc1ncc(c(n1)C)F 27a_100000102301_100015641512 [0,2,0,0,0,0|2,0,0]=4 16323 B13R1.669 CCCCNc1ncc(c(n1)C)N 27a_100000102301_100000123670 [0,2,0,0,0,0|2,0,0]=4 16324 B13R1.669 CCCCNc1ncc(c(n1)N)C 27a_100000102301_100011996698 [0,2,0,0,0,0|2,0,0]=4 16325 B13R1.669 CCCCNc1ncc(c(n1)N)F 27a_100000102301_100000185498 [0,2,0,0,0,0|2,0,0]=4 16326 B13R1.669 CCCCNc1ncc(c(n1)O)F 27a_100000102301_100011995740 [0,2,0,0,0,0|2,0,0]=4 16327 B13R1.669 CCCCOc1cc(c(cn1)Br)C 34a_100000766222_100000210210 [0,2,0,0,0,0|1,0,0]=3 16328 B13R1.669 CCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000210210 [0,2,0,0,0,0|1,0,0]=3 16329 B13R1.669 CCCCOc1cc(c(cn1)C)Br 34a_100009831917_100000210210 [0,2,0,0,0,0|1,0,0]=3 16330 B13R1.669 CCCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210210 [0,2,0,0,0,0|1,0,0]=3 16331 B13R1.669 CCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210210 [0,2,0,0,0,0|1,0,0]=3 16332 B13R1.669 CCCCOc1cc(c(cn1)O)C 271570a_203496583355_200013759037 [0,2,0,0,0,0|1,0,0]=3 16333 B13R1.669 CCCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210210 [0,2,0,0,0,0|2,0,0]=4 16334 B13R1.669 CCCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210211 [0,2,0,0,0,0|2,0,0]=4 16335 B13R1.669 CCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210210 [0,2,0,0,0,0|2,0,0]=4 16336 B13R1.669 CCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210211 [0,2,0,0,0,0|2,0,0]=4 16337 B13R1.669 CCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210210 [0,2,0,0,0,0|2,0,0]=4 16338 B13R1.669 CCCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210211 [0,2,0,0,0,0|2,0,0]=4 16339 B13R1.669 CCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210210 [0,2,0,0,0,0|2,0,0]=4 16340 B13R1.669 CCCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210211 [0,2,0,0,0,0|2,0,0]=4 16341 B13R1.669 CCCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210210 [0,2,0,0,0,0|2,0,0]=4 16342 B13R1.669 CCCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210211 [0,2,0,0,0,0|2,0,0]=4 16343 B13R1.669 CCCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210210 [0,2,0,0,0,0|2,0,0]=4 16344 B13R1.669 CCCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210211 [0,2,0,0,0,0|2,0,0]=4 16345 B13R1.669 CCCCOc1ccc(c(c1)C)C 34a_100000210932_100000210210 [0,2,0,0,0,0|2,0,0]=4 16346 B13R1.669 CCCCOc1ccc(c(c1)C)C 7a_100000210932_100000210211 [0,2,0,0,0,0|2,0,0]=4 16347 B13R1.669 CCCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210210 [0,2,0,0,0,0|2,0,0]=4 16348 B13R1.669 CCCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210211 [0,2,0,0,0,0|2,0,0]=4 16349 B13R1.669 CCCCOc1ccc(c(c1)C)F 34a_100000751312_100000210210 [0,2,0,0,0,0|2,0,0]=4 16350 B13R1.669 CCCCOc1ccc(c(c1)C)F 7a_100000751312_100000210211 [0,2,0,0,0,0|2,0,0]=4 16351 B13R1.669 CCCCOc1ccc(c(c1)C)I 34a_100000729255_100000210210 [0,2,0,0,0,0|2,0,0]=4 16352 B13R1.669 CCCCOc1ccc(c(c1)C)I 7a_100000729255_100000210211 [0,2,0,0,0,0|2,0,0]=4 16353 B13R1.669 CCCCOc1ccc(c(c1)C)N 34a_100000756630_100000210210 [0,2,0,0,0,0|2,0,0]=4 16354 B13R1.669 CCCCOc1ccc(c(c1)C)N 7a_100000756630_100000210211 [0,2,0,0,0,0|2,0,0]=4 16355 B13R1.669 CCCCOc1ccc(c(c1)C)O 271570a_203496583355_200012350294 [0,2,0,0,0,0|2,0,0]=4 16356 B13R1.669 CCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210210 [0,2,0,0,0,0|2,0,0]=4 16357 B13R1.669 CCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210211 [0,2,0,0,0,0|2,0,0]=4 16358 B13R1.669 CCCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210210 [0,2,0,0,0,0|2,0,0]=4 16359 B13R1.669 CCCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210211 [0,2,0,0,0,0|2,0,0]=4 16360 B13R1.669 CCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210210 [0,2,0,0,0,0|2,0,0]=4 16361 B13R1.669 CCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210211 [0,2,0,0,0,0|2,0,0]=4 16362 B13R1.669 CCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210210 [0,2,0,0,0,0|2,0,0]=4 16363 B13R1.669 CCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210211 [0,2,0,0,0,0|2,0,0]=4 16364 B13R1.669 CCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210210 [0,2,0,0,0,0|2,0,0]=4 16365 B13R1.669 CCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210211 [0,2,0,0,0,0|2,0,0]=4 16366 B13R1.669 CCCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210210 [0,2,0,0,0,0|2,0,0]=4 16367 B13R1.669 CCCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210211 [0,2,0,0,0,0|2,0,0]=4 16368 B13R1.669 CCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210210 [0,2,0,0,0,0|2,0,0]=4 16369 B13R1.669 CCCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210211 [0,2,0,0,0,0|2,0,0]=4 16370 B13R1.669 CCCCOc1ccc(c(c1)F)C 34a_100000722560_100000210210 [0,2,0,0,0,0|2,0,0]=4 16371 B13R1.669 CCCCOc1ccc(c(c1)F)C 7a_100000722560_100000210211 [0,2,0,0,0,0|2,0,0]=4 16372 B13R1.669 CCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210210 [0,2,0,0,0,0|2,0,0]=4 16373 B13R1.669 CCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210211 [0,2,0,0,0,0|2,0,0]=4 16374 B13R1.669 CCCCOc1ccc(c(c1)F)F 34a_100000181275_100000210210 [0,2,0,0,0,0|2,0,0]=4 16375 B13R1.669 CCCCOc1ccc(c(c1)F)F 7a_100000181275_100000210211 [0,2,0,0,0,0|2,0,0]=4 16376 B13R1.669 CCCCOc1ccc(c(c1)F)I 34a_100009990212_100000210210 [0,2,0,0,0,0|2,0,0]=4 16377 B13R1.669 CCCCOc1ccc(c(c1)F)I 7a_100009990212_100000210211 [0,2,0,0,0,0|2,0,0]=4 16378 B13R1.669 CCCCOc1ccc(c(c1)F)N 34a_100000759473_100000210210 [0,2,0,0,0,0|2,0,0]=4 16379 B13R1.669 CCCCOc1ccc(c(c1)F)N 7a_100000759473_100000210211 [0,2,0,0,0,0|2,0,0]=4 16380 B13R1.669 CCCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236941 [0,2,0,0,0,0|2,0,0]=4 16381 B13R1.669 CCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210210 [0,2,0,0,0,0|2,0,0]=4 16382 B13R1.669 CCCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210211 [0,2,0,0,0,0|2,0,0]=4 16383 B13R1.669 CCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210210 [0,2,0,0,0,0|2,0,0]=4 16384 B13R1.669 CCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210211 [0,2,0,0,0,0|2,0,0]=4 16385 B13R1.669 CCCCOc1ccc(c(c1)I)N 34a_100010084370_100000210210 [0,2,0,0,0,0|2,0,0]=4 16386 B13R1.669 CCCCOc1ccc(c(c1)I)N 7a_100010084370_100000210211 [0,2,0,0,0,0|2,0,0]=4 16387 B13R1.669 CCCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210210 [0,2,0,0,0,0|2,0,0]=4 16388 B13R1.669 CCCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210211 [0,2,0,0,0,0|2,0,0]=4 16389 B13R1.669 CCCCOc1ccc(c(c1)N)C 34a_100011216113_100000210210 [0,2,0,0,0,0|2,0,0]=4 16390 B13R1.669 CCCCOc1ccc(c(c1)N)C 7a_100011216113_100000210211 [0,2,0,0,0,0|2,0,0]=4 16391 B13R1.669 CCCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210210 [0,2,0,0,0,0|2,0,0]=4 16392 B13R1.669 CCCCOc1ccc(c(c1)N)F 34a_100012017239_100000210210 [0,2,0,0,0,0|2,0,0]=4 16393 B13R1.669 CCCCOc1ccc(c(c1)N)F 7a_100012017239_100000210211 [0,2,0,0,0,0|2,0,0]=4 16394 B13R1.669 CCCCOc1ccc(c(c1)N)N 34a_100025771000_100000210210 [0,2,0,0,0,0|2,0,0]=4 16395 B13R1.669 CCCCOc1ccc(c(n1)C)Br 34a_100000691680_100000210210 [0,2,0,0,0,0|1,0,0]=3 16396 B13R1.669 CCCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000210210 [0,2,0,0,0,0|1,0,0]=3 16397 B13R1.669 CCCCOc1ccc(c(n1)F)Br 34a_100009879308_100000210210 [0,2,0,0,0,0|1,0,0]=3 16398 B13R1.669 CCCCOc1cnc(c(n1)C)C 34a_200000700380_100000210210 [0,2,0,0,0,0|2,0,0]=4 16399 B13R1.669 CCCCOc1cnc(c(n1)Cl)Br 34a_100010080449_100000210210 [0,2,0,0,0,0|2,0,0]=4 16400 B13R1.669 CCCCSc1c[nH]c(=O)c(n1)C 62a_100000210211_100010363809 [0,2,0,0,0,0|2,0,0]=4 16401 B13R1.669 CCCCSc1c[nH]c(=O)c(n1)C 62a_100010363809_100000210210 [0,2,0,0,0,0|2,0,0]=4 16402 B13R1.669 CCCCSc1cc(=O)n(cn1)C 62a_100000210211_100012179353 [0,2,0,0,0,0|2,0,0]=4 16403 B13R1.669 CCCCSc1cc(=O)n(cn1)C 62a_100012179353_100000210210 [0,2,0,0,0,0|2,0,0]=4 16404 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)C 62a_100000210211_100012187101 [0,2,0,0,0,0|2,0,0]=4 16405 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)N 62a_100000210211_100000102183 [0,2,0,0,0,0|2,0,0]=4 16406 B13R1.669 CCCCSc1cc(c(cn1)Br)C 62a_100000210211_100012356354 [0,2,0,0,0,0|1,0,0]=3 16407 B13R1.669 CCCCSc1cc(c(cn1)Br)C 62a_100012356354_100000210210 [0,2,0,0,0,0|1,0,0]=3 16408 B13R1.669 CCCCSc1cc(c(cn1)C)C 62a_100000210211_100009850809 [0,2,0,0,0,0|1,0,0]=3 16409 B13R1.669 CCCCSc1cc(c(cn1)C)C 62a_100009850809_100000210210 [0,2,0,0,0,0|1,0,0]=3 16410 B13R1.669 CCCCSc1cc(c(cn1)C)F 62a_100000210211_100009841206 [0,2,0,0,0,0|1,0,0]=3 16411 B13R1.669 CCCCSc1cc(c(cn1)C)F 62a_100009841206_100000210210 [0,2,0,0,0,0|1,0,0]=3 16412 B13R1.669 CCCCSc1cc(c(cn1)C)N 62a_100000126663_100000210210 [0,2,0,0,0,0|1,0,0]=3 16413 B13R1.669 CCCCSc1cc(c(cn1)C)N 62a_100000210211_100000126663 [0,2,0,0,0,0|1,0,0]=3 16414 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000210211_100000704368 [0,2,0,0,0,0|1,0,0]=3 16415 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000704368_100000210210 [0,2,0,0,0,0|1,0,0]=3 16416 B13R1.669 CCCCSc1cc(c(cn1)F)C 62a_100000210211_100009818257 [0,2,0,0,0,0|1,0,0]=3 16417 B13R1.669 CCCCSc1cc(c(cn1)F)C 62a_100009818257_100000210210 [0,2,0,0,0,0|1,0,0]=3 16418 B13R1.669 CCCCSc1cc(c(cn1)F)N 62a_100000126464_100000210210 [0,2,0,0,0,0|1,0,0]=3 16419 B13R1.669 CCCCSc1cc(c(cn1)F)N 62a_100000210211_100000126464 [0,2,0,0,0,0|1,0,0]=3 16420 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100000210211_100009854642 [0,2,0,0,0,0|1,0,0]=3 16421 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210210 [0,2,0,0,0,0|1,0,0]=3 16422 B13R1.669 CCCCSc1cc(c(cn1)N)C 62a_100000067204_100000210210 [0,2,0,0,0,0|1,0,0]=3 16423 B13R1.669 CCCCSc1cc(c(cn1)N)C 62a_100000210211_100000067204 [0,2,0,0,0,0|1,0,0]=3 16424 B13R1.669 CCCCSc1cc(c(cn1)N)N 62a_100000067514_100000210210 [0,2,0,0,0,0|1,0,0]=3 16425 B13R1.669 CCCCSc1cc(c(cn1)N)N 62a_100000210211_100000067514 [0,2,0,0,0,0|1,0,0]=3 16426 B13R1.669 CCCCSc1cc(c(cn1)O)C 62a_100000210211_100000692680 [0,2,0,0,0,0|1,0,0]=3 16427 B13R1.669 CCCCSc1cc(c(cn1)O)N 62a_100000210211_100009819941 [0,2,0,0,0,0|1,0,0]=3 16428 B13R1.669 CCCCSc1cc(c(cn1)O)N 62a_100009819941_100000210210 [0,2,0,0,0,0|1,0,0]=3 16429 B13R1.669 CCCCSc1cc(c(nn1)N)C 62a_100000210211_100153394926 [0,2,0,0,0,0|2,0,0]=4 16430 B13R1.669 CCCCSc1cc(c(nn1)N)C 62a_100153394926_100000210210 [0,2,0,0,0,0|2,0,0]=4 16431 B13R1.669 CCCCSc1ccc(=O)n(n1)C 62a_100000210211_100009820752 [0,2,0,0,0,0|2,0,0]=4 16432 B13R1.669 CCCCSc1ccc(=O)n(n1)C 62a_100009820752_100000210210 [0,2,0,0,0,0|2,0,0]=4 16433 B13R1.669 CCCCSc1ccc(c(c1)Br)Br 62a_100000210211_100012356285 [0,2,0,0,0,0|2,0,0]=4 16434 B13R1.669 CCCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210210 [0,2,0,0,0,0|2,0,0]=4 16435 B13R1.669 CCCCSc1ccc(c(c1)Br)C 62a_100000210211_100011847877 [0,2,0,0,0,0|2,0,0]=4 16436 B13R1.669 CCCCSc1ccc(c(c1)Br)C 62a_100011847877_100000210210 [0,2,0,0,0,0|2,0,0]=4 16437 B13R1.669 CCCCSc1ccc(c(c1)Br)Cl 62a_100000210211_100012353702 [0,2,0,0,0,0|2,0,0]=4 16438 B13R1.669 CCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210210 [0,2,0,0,0,0|2,0,0]=4 16439 B13R1.669 CCCCSc1ccc(c(c1)Br)F 62a_100000210211_100012047266 [0,2,0,0,0,0|2,0,0]=4 16440 B13R1.669 CCCCSc1ccc(c(c1)Br)F 62a_100012047266_100000210210 [0,2,0,0,0,0|2,0,0]=4 16441 B13R1.669 CCCCSc1ccc(c(c1)Br)N 62a_100000210211_100000750455 [0,2,0,0,0,0|2,0,0]=4 16442 B13R1.669 CCCCSc1ccc(c(c1)Br)N 62a_100000750455_100000210210 [0,2,0,0,0,0|2,0,0]=4 16443 B13R1.669 CCCCSc1ccc(c(c1)Br)O 62a_100000210211_100012361655 [0,2,0,0,0,0|2,0,0]=4 16444 B13R1.669 CCCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210210 [0,2,0,0,0,0|2,0,0]=4 16445 B13R1.669 CCCCSc1ccc(c(c1)C)Br 62a_100000210211_100009813585 [0,2,0,0,0,0|2,0,0]=4 16446 B13R1.669 CCCCSc1ccc(c(c1)C)Br 62a_100009813585_100000210210 [0,2,0,0,0,0|2,0,0]=4 16447 B13R1.669 CCCCSc1ccc(c(c1)C)C 62a_100000210211_100011215607 [0,2,0,0,0,0|2,0,0]=4 16448 B13R1.669 CCCCSc1ccc(c(c1)C)C 62a_100011215607_100000210210 [0,2,0,0,0,0|2,0,0]=4 16449 B13R1.669 CCCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210210 [0,2,0,0,0,0|2,0,0]=4 16450 B13R1.669 CCCCSc1ccc(c(c1)C)Cl 62a_100000210211_100000049509 [0,2,0,0,0,0|2,0,0]=4 16451 B13R1.669 CCCCSc1ccc(c(c1)C)F 62a_100000210211_100011218330 [0,2,0,0,0,0|2,0,0]=4 16452 B13R1.669 CCCCSc1ccc(c(c1)C)F 62a_100011218330_100000210210 [0,2,0,0,0,0|2,0,0]=4 16453 B13R1.669 CCCCSc1ccc(c(c1)C)N 62a_100000210211_100000211769 [0,2,0,0,0,0|2,0,0]=4 16454 B13R1.669 CCCCSc1ccc(c(c1)C)N 62a_100000211769_100000210210 [0,2,0,0,0,0|2,0,0]=4 16455 B13R1.669 CCCCSc1ccc(c(c1)C)O 62a_100000210211_100000186361 [0,2,0,0,0,0|2,0,0]=4 16456 B13R1.669 CCCCSc1ccc(c(c1)Cl)Br 62a_100000210211_100012047281 [0,2,0,0,0,0|2,0,0]=4 16457 B13R1.669 CCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210210 [0,2,0,0,0,0|2,0,0]=4 16458 B13R1.669 CCCCSc1ccc(c(c1)Cl)C 62a_100000210211_100011216363 [0,2,0,0,0,0|2,0,0]=4 16459 B13R1.669 CCCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210210 [0,2,0,0,0,0|2,0,0]=4 16460 B13R1.669 CCCCSc1ccc(c(c1)Cl)Cl 62a_100000210211_100011214914 [0,2,0,0,0,0|2,0,0]=4 16461 B13R1.669 CCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210210 [0,2,0,0,0,0|2,0,0]=4 16462 B13R1.669 CCCCSc1ccc(c(c1)Cl)F 62a_100000210211_100011215976 [0,2,0,0,0,0|2,0,0]=4 16463 B13R1.669 CCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210210 [0,2,0,0,0,0|2,0,0]=4 16464 B13R1.669 CCCCSc1ccc(c(c1)Cl)N 62a_100000210211_100011218065 [0,2,0,0,0,0|2,0,0]=4 16465 B13R1.669 CCCCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210210 [0,2,0,0,0,0|2,0,0]=4 16466 B13R1.669 CCCCSc1ccc(c(c1)Cl)O 62a_100000210211_100012360047 [0,2,0,0,0,0|2,0,0]=4 16467 B13R1.669 CCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210210 [0,2,0,0,0,0|2,0,0]=4 16468 B13R1.669 CCCCSc1ccc(c(c1)F)Br 62a_100000210211_100000685389 [0,2,0,0,0,0|2,0,0]=4 16469 B13R1.669 CCCCSc1ccc(c(c1)F)Br 62a_100000685389_100000210210 [0,2,0,0,0,0|2,0,0]=4 16470 B13R1.669 CCCCSc1ccc(c(c1)F)C 62a_100000210211_100000720648 [0,2,0,0,0,0|2,0,0]=4 16471 B13R1.669 CCCCSc1ccc(c(c1)F)C 62a_100000720648_100000210210 [0,2,0,0,0,0|2,0,0]=4 16472 B13R1.669 CCCCSc1ccc(c(c1)F)Cl 62a_100000210211_100011216805 [0,2,0,0,0,0|2,0,0]=4 16473 B13R1.669 CCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210210 [0,2,0,0,0,0|2,0,0]=4 16474 B13R1.669 CCCCSc1ccc(c(c1)F)F 62a_100000210211_100000703953 [0,2,0,0,0,0|2,0,0]=4 16475 B13R1.669 CCCCSc1ccc(c(c1)F)F 62a_100000703953_100000210210 [0,2,0,0,0,0|2,0,0]=4 16476 B13R1.669 CCCCSc1ccc(c(c1)F)N 62a_100000210211_100011215594 [0,2,0,0,0,0|2,0,0]=4 16477 B13R1.669 CCCCSc1ccc(c(c1)F)N 62a_100011215594_100000210210 [0,2,0,0,0,0|2,0,0]=4 16478 B13R1.669 CCCCSc1ccc(c(c1)F)O 62a_100000185481_100000210210 [0,2,0,0,0,0|2,0,0]=4 16479 B13R1.669 CCCCSc1ccc(c(c1)F)O 62a_100000210211_100000185481 [0,2,0,0,0,0|2,0,0]=4 16480 B13R1.669 CCCCSc1ccc(c(c1)N)Br 62a_100000210211_100000750456 [0,2,0,0,0,0|2,0,0]=4 16481 B13R1.669 CCCCSc1ccc(c(c1)N)Br 62a_100000750456_100000210210 [0,2,0,0,0,0|2,0,0]=4 16482 B13R1.669 CCCCSc1ccc(c(c1)N)C 62a_100000210211_100000761890 [0,2,0,0,0,0|2,0,0]=4 16483 B13R1.669 CCCCSc1ccc(c(c1)N)C 62a_100000761890_100000210210 [0,2,0,0,0,0|2,0,0]=4 16484 B13R1.669 CCCCSc1ccc(c(c1)N)Cl 62a_100000210211_200000761891 [0,2,0,0,0,0|2,0,0]=4 16485 B13R1.669 CCCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210210 [0,2,0,0,0,0|2,0,0]=4 16486 B13R1.669 CCCCSc1ccc(c(c1)N)F 62a_100000210211_100000740924 [0,2,0,0,0,0|2,0,0]=4 16487 B13R1.669 CCCCSc1ccc(c(c1)N)F 62a_100000740924_100000210210 [0,2,0,0,0,0|2,0,0]=4 16488 B13R1.669 CCCCSc1ccc(c(c1)N)N 62a_100000210211_100011534411 [0,2,0,0,0,0|2,0,0]=4 16489 B13R1.669 CCCCSc1ccc(c(c1)N)N 62a_100000741789_100000210210 [0,2,0,0,0,0|2,0,0]=4 16490 B13R1.669 CCCCSc1ccc(c(c1)N)O 62a_100000210211_100000752626 [0,2,0,0,0,0|2,0,0]=4 16491 B13R1.669 CCCCSc1ccc(c(c1)N)O 62a_100000752626_100000210210 [0,2,0,0,0,0|2,0,0]=4 16492 B13R1.669 CCCCSc1ccc(c(c1)O)Br 62a_100000210211_100012356990 [0,2,0,0,0,0|2,0,0]=4 16493 B13R1.669 CCCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210210 [0,2,0,0,0,0|2,0,0]=4 16494 B13R1.669 CCCCSc1ccc(c(c1)O)C 62a_100000210211_100000685420 [0,2,0,0,0,0|2,0,0]=4 16495 B13R1.669 CCCCSc1ccc(c(c1)O)C 62a_100000685420_100000210210 [0,2,0,0,0,0|2,0,0]=4 16496 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100000210211_100011356854 [0,2,0,0,0,0|2,0,0]=4 16497 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210210 [0,2,0,0,0,0|2,0,0]=4 16498 B13R1.669 CCCCSc1ccc(c(c1)O)F 62a_100000210211_100000686035 [0,2,0,0,0,0|2,0,0]=4 16499 B13R1.669 CCCCSc1ccc(c(c1)O)F 62a_100000686035_100000210210 [0,2,0,0,0,0|2,0,0]=4 16500 B13R1.669 CCCCSc1ccc(c(c1)O)N 62a_100000210211_100000739049 [0,2,0,0,0,0|2,0,0]=4 16501 B13R1.669 CCCCSc1ccc(c(c1)O)N 62a_100000739049_100000210210 [0,2,0,0,0,0|2,0,0]=4 16502 B13R1.669 CCCCSc1ccc(c(c1)O)O 62a_100000210211_100009813601 [0,2,0,0,0,0|2,0,0]=4 16503 B13R1.669 CCCCSc1ccc(c(n1)Br)O 62a_100000210211_100000725334 [0,2,0,0,0,0|1,0,0]=3 16504 B13R1.669 CCCCSc1ccc(c(n1)Br)O 62a_100000725334_100000210210 [0,2,0,0,0,0|1,0,0]=3 16505 B13R1.669 CCCCSc1ccc(c(n1)C)Br 62a_100000210211_100012360386 [0,2,0,0,0,0|1,0,0]=3 16506 B13R1.669 CCCCSc1ccc(c(n1)C)Br 62a_100012360386_100000210210 [0,2,0,0,0,0|1,0,0]=3 16507 B13R1.669 CCCCSc1ccc(c(n1)C)C 62a_100000103781_100000210210 [0,2,0,0,0,0|1,0,0]=3 16508 B13R1.669 CCCCSc1ccc(c(n1)C)C 62a_100000210211_100000103781 [0,2,0,0,0,0|1,0,0]=3 16509 B13R1.669 CCCCSc1ccc(c(n1)C)F 62a_100000210211_100009814307 [0,2,0,0,0,0|1,0,0]=3 16510 B13R1.669 CCCCSc1ccc(c(n1)C)F 62a_100009814307_100000210210 [0,2,0,0,0,0|1,0,0]=3 16511 B13R1.669 CCCCSc1ccc(c(n1)C)N 62a_100000210211_100000720120 [0,2,0,0,0,0|1,0,0]=3 16512 B13R1.669 CCCCSc1ccc(c(n1)C)N 62a_100000720120_100000210210 [0,2,0,0,0,0|1,0,0]=3 16513 B13R1.669 CCCCSc1ccc(c(n1)C)O 62a_100000210211_100010233687 [0,2,0,0,0,0|1,0,0]=3 16514 B13R1.669 CCCCSc1ccc(c(n1)C)O 62a_100010233687_100000210210 [0,2,0,0,0,0|1,0,0]=3 16515 B13R1.669 CCCCSc1ccc(c(n1)Cl)N 62a_100000210211_200010233646 [0,2,0,0,0,0|1,0,0]=3 16516 B13R1.669 CCCCSc1ccc(c(n1)Cl)N 62a_200010233646_100000210210 [0,2,0,0,0,0|1,0,0]=3 16517 B13R1.669 CCCCSc1ccc(c(n1)Cl)O 62a_100000210211_100000721234 [0,2,0,0,0,0|1,0,0]=3 16518 B13R1.669 CCCCSc1ccc(c(n1)F)Br 62a_100000210211_100010134343 [0,2,0,0,0,0|1,0,0]=3 16519 B13R1.669 CCCCSc1ccc(c(n1)F)Br 62a_100010134343_100000210210 [0,2,0,0,0,0|1,0,0]=3 16520 B13R1.669 CCCCSc1ccc(c(n1)F)N 62a_100000210211_100009856439 [0,2,0,0,0,0|1,0,0]=3 16521 B13R1.669 CCCCSc1ccc(c(n1)F)N 62a_100009856439_100000210210 [0,2,0,0,0,0|1,0,0]=3 16522 B13R1.669 CCCCSc1ccc(c(n1)F)O 62a_100000210211_100009819667 [0,2,0,0,0,0|1,0,0]=3 16523 B13R1.669 CCCCSc1ccc(c(n1)F)O 62a_100009819667_100000210210 [0,2,0,0,0,0|1,0,0]=3 16524 B13R1.669 CCCCSc1ccc(c(n1)N)C 62a_100000210211_100009857032 [0,2,0,0,0,0|1,0,0]=3 16525 B13R1.669 CCCCSc1ccc(c(n1)N)C 62a_100009857032_100000210210 [0,2,0,0,0,0|1,0,0]=3 16526 B13R1.669 CCCCSc1ccc(c(n1)N)F 62a_100000210211_100016091773 [0,2,0,0,0,0|1,0,0]=3 16527 B13R1.669 CCCCSc1ccc(c(n1)N)F 62a_100016091773_100000210210 [0,2,0,0,0,0|1,0,0]=3 16528 B13R1.669 CCCCSc1ccc(c(n1)N)N 62a_100000747239_100000210210 [0,2,0,0,0,0|1,0,0]=3 16529 B13R1.669 CCCCSc1ccc(c(n1)N)O 62a_100000210211_100000685527 [0,2,0,0,0,0|1,0,0]=3 16530 B13R1.669 CCCCSc1ccc(c(n1)N)O 62a_100000685527_100000210210 [0,2,0,0,0,0|1,0,0]=3 16531 B13R1.669 CCCCSc1ccc(c(n1)O)F 62a_100000210211_100010729010 [0,2,0,0,0,0|1,0,0]=3 16532 B13R1.669 CCCCSc1ccc(c(n1)O)N 62a_100000718904_100000210210 [0,2,0,0,0,0|1,0,0]=3 16533 B13R1.669 CCCCSc1cn(c(=O)cn1)C 62a_100000210211_100009843036 [0,2,0,0,0,0|2,0,0]=4 16534 B13R1.669 CCCCSc1cn(c(=O)cn1)C 62a_100009843036_100000210210 [0,2,0,0,0,0|2,0,0]=4 16535 B13R1.669 CCCCSc1cnc(c(n1)Br)N 62a_100000210211_100010982571 [0,2,0,0,0,0|2,0,0]=4 16536 B13R1.669 CCCCSc1cnc(c(n1)Br)N 62a_100010982571_100000210210 [0,2,0,0,0,0|2,0,0]=4 16537 B13R1.669 CCCCSc1cnc(c(n1)C)C 62a_100000210211_100009878948 [0,2,0,0,0,0|2,0,0]=4 16538 B13R1.669 CCCCSc1cnc(c(n1)C)C 62a_100009878948_100000210210 [0,2,0,0,0,0|2,0,0]=4 16539 B13R1.669 CCCCSc1cnc(c(n1)C)N 62a_100000210211_100009818571 [0,2,0,0,0,0|2,0,0]=4 16540 B13R1.669 CCCCSc1cnc(c(n1)C)N 62a_100009818571_100000210210 [0,2,0,0,0,0|2,0,0]=4 16541 B13R1.669 CCCCSc1cnc(c(n1)Cl)N 62a_100000210211_100010733632 [0,2,0,0,0,0|2,0,0]=4 16542 B13R1.669 CCCCSc1cnc(c(n1)Cl)N 62a_100010733632_100000210210 [0,2,0,0,0,0|2,0,0]=4 16543 B13R1.669 CCCCSc1cnc(c(n1)N)N 62a_100000210211_100009816827 [0,2,0,0,0,0|2,0,0]=4 16544 B13R1.669 CCCCSc1cnc(c(n1)N)N 62a_100009816827_100000210210 [0,2,0,0,0,0|2,0,0]=4 16545 B13R1.669 CCCCSc1ncc(c(n1)C)Cl 62a_100000210211_100010174973 [0,2,0,0,0,0|2,0,0]=4 16546 B13R1.669 CCCCSc1ncc(c(n1)C)Cl 62a_100010174973_100000210210 [0,2,0,0,0,0|2,0,0]=4 16547 B13R1.669 CCCCSc1ncc(c(n1)C)F 62a_100000210211_100015641512 [0,2,0,0,0,0|2,0,0]=4 16548 B13R1.669 CCCCSc1ncc(c(n1)C)F 62a_100015641512_100000210210 [0,2,0,0,0,0|2,0,0]=4 16549 B13R1.669 CCCCSc1ncc(c(n1)C)N 62a_100000123670_100000210210 [0,2,0,0,0,0|2,0,0]=4 16550 B13R1.669 CCCCSc1ncc(c(n1)C)N 62a_100000210211_100000123670 [0,2,0,0,0,0|2,0,0]=4 16551 B13R1.669 CCCCSc1ncc(c(n1)N)C 62a_100000210211_100011996698 [0,2,0,0,0,0|2,0,0]=4 16552 B13R1.669 CCCCSc1ncc(c(n1)N)C 62a_100011996698_100000210210 [0,2,0,0,0,0|2,0,0]=4 16553 B13R1.669 CCCCSc1ncc(c(n1)N)F 62a_100000185498_100000210210 [0,2,0,0,0,0|2,0,0]=4 16554 B13R1.669 CCCCSc1ncc(c(n1)N)F 62a_100000210211_100000185498 [0,2,0,0,0,0|2,0,0]=4 16555 B13R1.669 CCCCSc1ncc(c(n1)N)N 62a_100000210211_100011933915 [0,2,0,0,0,0|2,0,0]=4 16556 B13R1.669 CCCCSc1ncc(c(n1)N)N 62a_100011933915_100000210210 [0,2,0,0,0,0|2,0,0]=4 16557 B13R1.669 CCCCSc1ncc(c(n1)O)F 62a_100000210211_100011995740 [0,2,0,0,0,0|2,0,0]=4 16558 B13R1.669 CCCNCc1cc(c(cn1)Br)C 207a_100020643023_100009814806 [0,2,0,0,0,0|1,0,0]=3 16559 B13R1.669 CCCNCc1cc(c(cn1)Br)C 270004a_100020643023_100009814806 [0,2,0,0,0,0|1,0,0]=3 16560 B13R1.669 CCCNCc1cc(c(cn1)C)Br 207a_100020643023_100010174032 [0,2,0,0,0,0|1,0,0]=3 16561 B13R1.669 CCCNCc1cc(c(cn1)C)Br 270004a_100020643023_100010174032 [0,2,0,0,0,0|1,0,0]=3 16562 B13R1.669 CCCNCc1ccc(c(c1)Br)Br 207a_100020643023_100011215943 [0,2,0,0,0,0|2,0,0]=4 16563 B13R1.669 CCCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000210303 [0,2,0,0,0,0|2,0,0]=4 16564 B13R1.669 CCCNCc1ccc(c(c1)Br)Br 270004a_100020643023_100011215943 [0,2,0,0,0,0|2,0,0]=4 16565 B13R1.669 CCCNCc1ccc(c(c1)Br)Br 34a_100012351559_100000210303 [0,2,0,0,0,0|2,0,0]=4 16566 B13R1.669 CCCNCc1ccc(c(c1)Br)C 207a_100020643023_100000695567 [0,2,0,0,0,0|2,0,0]=4 16567 B13R1.669 CCCNCc1ccc(c(c1)Br)C 270004a_100020643023_100000695567 [0,2,0,0,0,0|2,0,0]=4 16568 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 207a_100020643023_100000693810 [0,2,0,0,0,0|2,0,0]=4 16569 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210303 [0,2,0,0,0,0|2,0,0]=4 16570 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 270004a_100020643023_100000693810 [0,2,0,0,0,0|2,0,0]=4 16571 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210303 [0,2,0,0,0,0|2,0,0]=4 16572 B13R1.669 CCCNCc1ccc(c(c1)Br)F 207a_100020643023_100000211747 [0,2,0,0,0,0|2,0,0]=4 16573 B13R1.669 CCCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000210303 [0,2,0,0,0,0|2,0,0]=4 16574 B13R1.669 CCCNCc1ccc(c(c1)Br)F 270004a_100020643023_100000211747 [0,2,0,0,0,0|2,0,0]=4 16575 B13R1.669 CCCNCc1ccc(c(c1)Br)F 34a_100015193890_100000210303 [0,2,0,0,0,0|2,0,0]=4 16576 B13R1.669 CCCNCc1ccc(c(c1)C)Br 207a_100020643023_100000765772 [0,2,0,0,0,0|2,0,0]=4 16577 B13R1.669 CCCNCc1ccc(c(c1)C)Br 2230a_100015205234_100000210303 [0,2,0,0,0,0|2,0,0]=4 16578 B13R1.669 CCCNCc1ccc(c(c1)C)Br 270004a_100020643023_100000765772 [0,2,0,0,0,0|2,0,0]=4 16579 B13R1.669 CCCNCc1ccc(c(c1)C)Br 34a_100015205234_100000210303 [0,2,0,0,0,0|2,0,0]=4 16580 B13R1.669 CCCNCc1ccc(c(c1)C)C 207a_100020643023_100000229942 [0,2,0,0,0,0|2,0,0]=4 16581 B13R1.669 CCCNCc1ccc(c(c1)C)C 2230a_100025706692_100000210303 [0,2,0,0,0,0|2,0,0]=4 16582 B13R1.669 CCCNCc1ccc(c(c1)C)C 270004a_100020643023_100000229942 [0,2,0,0,0,0|2,0,0]=4 16583 B13R1.669 CCCNCc1ccc(c(c1)C)C 34a_100025706692_100000210303 [0,2,0,0,0,0|2,0,0]=4 16584 B13R1.669 CCCNCc1ccc(c(c1)C)Cl 207a_100020643023_100000698814 [0,2,0,0,0,0|2,0,0]=4 16585 B13R1.669 CCCNCc1ccc(c(c1)C)Cl 270004a_100020643023_100000698814 [0,2,0,0,0,0|2,0,0]=4 16586 B13R1.669 CCCNCc1ccc(c(c1)C)F 207a_100020643023_100000748208 [0,2,0,0,0,0|2,0,0]=4 16587 B13R1.669 CCCNCc1ccc(c(c1)C)F 2230a_100000239911_100000210303 [0,2,0,0,0,0|2,0,0]=4 16588 B13R1.669 CCCNCc1ccc(c(c1)C)F 270004a_100020643023_100000748208 [0,2,0,0,0,0|2,0,0]=4 16589 B13R1.669 CCCNCc1ccc(c(c1)C)F 34a_100000239911_100000210303 [0,2,0,0,0,0|2,0,0]=4 16590 B13R1.669 CCCNCc1ccc(c(c1)Cl)Br 207a_100020643023_100000690054 [0,2,0,0,0,0|2,0,0]=4 16591 B13R1.669 CCCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000210303 [0,2,0,0,0,0|2,0,0]=4 16592 B13R1.669 CCCNCc1ccc(c(c1)Cl)Br 270004a_100020643023_100000690054 [0,2,0,0,0,0|2,0,0]=4 16593 B13R1.669 CCCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000210303 [0,2,0,0,0,0|2,0,0]=4 16594 B13R1.669 CCCNCc1ccc(c(c1)Cl)C 207a_100020643023_100000760539 [0,2,0,0,0,0|2,0,0]=4 16595 B13R1.669 CCCNCc1ccc(c(c1)Cl)C 2230a_102495364989_100000210303 [0,2,0,0,0,0|2,0,0]=4 16596 B13R1.669 CCCNCc1ccc(c(c1)Cl)C 270004a_100020643023_100000760539 [0,2,0,0,0,0|2,0,0]=4 16597 B13R1.669 CCCNCc1ccc(c(c1)Cl)C 34a_102495364989_100000210303 [0,2,0,0,0,0|2,0,0]=4 16598 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 207a_100020643023_100000188533 [0,2,0,0,0,0|2,0,0]=4 16599 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210303 [0,2,0,0,0,0|2,0,0]=4 16600 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 270004a_100020643023_100000188533 [0,2,0,0,0,0|2,0,0]=4 16601 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210303 [0,2,0,0,0,0|2,0,0]=4 16602 B13R1.669 CCCNCc1ccc(c(c1)Cl)F 207a_100020643023_100000742290 [0,2,0,0,0,0|2,0,0]=4 16603 B13R1.669 CCCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000210303 [0,2,0,0,0,0|2,0,0]=4 16604 B13R1.669 CCCNCc1ccc(c(c1)Cl)F 270004a_100020643023_100000742290 [0,2,0,0,0,0|2,0,0]=4 16605 B13R1.669 CCCNCc1ccc(c(c1)Cl)F 34a_100000749334_100000210303 [0,2,0,0,0,0|2,0,0]=4 16606 B13R1.669 CCCNCc1ccc(c(c1)F)Br 207a_100020643023_100000686674 [0,2,0,0,0,0|2,0,0]=4 16607 B13R1.669 CCCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000210303 [0,2,0,0,0,0|2,0,0]=4 16608 B13R1.669 CCCNCc1ccc(c(c1)F)Br 270004a_100020643023_100000686674 [0,2,0,0,0,0|2,0,0]=4 16609 B13R1.669 CCCNCc1ccc(c(c1)F)Br 34a_100000755036_100000210303 [0,2,0,0,0,0|2,0,0]=4 16610 B13R1.669 CCCNCc1ccc(c(c1)F)C 207a_100020643023_100000753222 [0,2,0,0,0,0|2,0,0]=4 16611 B13R1.669 CCCNCc1ccc(c(c1)F)C 2230a_100102708794_100000210303 [0,2,0,0,0,0|2,0,0]=4 16612 B13R1.669 CCCNCc1ccc(c(c1)F)C 270004a_100020643023_100000753222 [0,2,0,0,0,0|2,0,0]=4 16613 B13R1.669 CCCNCc1ccc(c(c1)F)C 34a_100102708794_100000210303 [0,2,0,0,0,0|2,0,0]=4 16614 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 207a_100020643023_100000745630 [0,2,0,0,0,0|2,0,0]=4 16615 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210303 [0,2,0,0,0,0|2,0,0]=4 16616 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 270004a_100020643023_100000745630 [0,2,0,0,0,0|2,0,0]=4 16617 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000210303 [0,2,0,0,0,0|2,0,0]=4 16618 B13R1.669 CCCNCc1ccc(c(c1)F)F 207a_100020643023_100000211062 [0,2,0,0,0,0|2,0,0]=4 16619 B13R1.669 CCCNCc1ccc(c(c1)F)F 2230a_100000737897_100000210303 [0,2,0,0,0,0|2,0,0]=4 16620 B13R1.669 CCCNCc1ccc(c(c1)F)F 270004a_100020643023_100000211062 [0,2,0,0,0,0|2,0,0]=4 16621 B13R1.669 CCCNCc1ccc(c(c1)F)F 34a_100000737897_100000210303 [0,2,0,0,0,0|2,0,0]=4 16622 B13R1.669 CCCNCc1ccc(c(c1)F)I 207a_100020643023_100000050832 [0,2,0,0,0,0|2,0,0]=4 16623 B13R1.669 CCCNCc1ccc(c(c1)F)I 270004a_100020643023_100000050832 [0,2,0,0,0,0|2,0,0]=4 16624 B13R1.669 CCCNCc1ccc(c(c1)F)O 34a_100000758358_100000210303 [0,2,0,0,0,0|2,0,0]=4 16625 B13R1.669 CCCNCc1ccc(c(c1)I)Br 207a_100020643023_100010146563 [0,2,0,0,0,0|2,0,0]=4 16626 B13R1.669 CCCNCc1ccc(c(c1)I)Br 270004a_100020643023_100010146563 [0,2,0,0,0,0|2,0,0]=4 16627 B13R1.669 CCCNCc1ccc(c(c1)I)C 207a_100020643023_100010197721 [0,2,0,0,0,0|2,0,0]=4 16628 B13R1.669 CCCNCc1ccc(c(c1)I)C 270004a_100020643023_100010197721 [0,2,0,0,0,0|2,0,0]=4 16629 B13R1.669 CCCNCc1ccc(c(c1)I)Cl 207a_100020643023_100010209939 [0,2,0,0,0,0|2,0,0]=4 16630 B13R1.669 CCCNCc1ccc(c(c1)I)Cl 270004a_100020643023_100010209939 [0,2,0,0,0,0|2,0,0]=4 16631 B13R1.669 CCCNCc1ccc(c(c1)I)F 207a_100020643023_100010188209 [0,2,0,0,0,0|2,0,0]=4 16632 B13R1.669 CCCNCc1ccc(c(c1)I)F 270004a_100020643023_100010188209 [0,2,0,0,0,0|2,0,0]=4 16633 B13R1.669 CCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210303 [0,2,0,0,0,0|2,0,0]=4 16634 B13R1.669 CCCNCc1ccc(c(c1)O)F 34a_100160469508_100000210303 [0,2,0,0,0,0|2,0,0]=4 16635 B13R1.669 CCCNCc1ccc(c(c1)O)O 34a_100000010075_100000210303 [0,2,0,0,0,0|2,0,0]=4 16636 B13R1.669 CCCNCc1ccc(c(n1)C)Br 207a_100020643023_100010238520 [0,2,0,0,0,0|1,0,0]=3 16637 B13R1.669 CCCNCc1ccc(c(n1)C)Br 270004a_100020643023_100010238520 [0,2,0,0,0,0|1,0,0]=3 16638 B13R1.669 CCCNCc1ccc(c(n1)C)C 2230a_202515432893_100000210303 [0,2,0,0,0,0|1,0,0]=3 16639 B13R1.669 CCCNCc1ccc(c(n1)C)C 34a_202515432893_100000210303 [0,2,0,0,0,0|1,0,0]=3 16640 B13R1.669 CCCNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100000210303 [0,2,0,0,0,0|1,0,0]=3 16641 B13R1.669 CCCNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100000210303 [0,2,0,0,0,0|1,0,0]=3 16642 B13R1.669 CCCOCc1cc(c(cn1)Br)C 34a_200010713146_100000210303 [0,2,0,0,0,0|1,0,0]=3 16643 B13R1.669 CCCOCc1cc(c(cn1)C)Br 34a_100010113723_100000210303 [0,2,0,0,0,0|1,0,0]=3 16644 B13R1.669 CCCOCc1cc(c(cn1)C)Br 7a_100010113723_100000210303 [0,2,0,0,0,0|1,0,0]=3 16645 B13R1.669 CCCOCc1cc(c(cn1)C)Cl 34a_200000144627_100000210303 [0,2,0,0,0,0|1,0,0]=3 16646 B13R1.669 CCCOCc1cc(c(cn1)C)Cl 7a_200000144627_100000210303 [0,2,0,0,0,0|1,0,0]=3 16647 B13R1.669 CCCOCc1ccc(c(c1)Br)Br 34a_100000210258_100012353900 [0,2,0,0,0,0|2,0,0]=4 16648 B13R1.669 CCCOCc1ccc(c(c1)Br)C 34a_100000210258_100012232412 [0,2,0,0,0,0|2,0,0]=4 16649 B13R1.669 CCCOCc1ccc(c(c1)Br)C 34a_100000708995_100000210303 [0,2,0,0,0,0|2,0,0]=4 16650 B13R1.669 CCCOCc1ccc(c(c1)Br)C 7a_100000708995_100000210303 [0,2,0,0,0,0|2,0,0]=4 16651 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 34a_100000210258_100012353894 [0,2,0,0,0,0|2,0,0]=4 16652 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000210303 [0,2,0,0,0,0|2,0,0]=4 16653 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000210303 [0,2,0,0,0,0|2,0,0]=4 16654 B13R1.669 CCCOCc1ccc(c(c1)Br)F 34a_100000210258_100011206884 [0,2,0,0,0,0|2,0,0]=4 16655 B13R1.669 CCCOCc1ccc(c(c1)Br)F 34a_100000246287_100000210303 [0,2,0,0,0,0|2,0,0]=4 16656 B13R1.669 CCCOCc1ccc(c(c1)Br)F 7a_100000246287_100000210303 [0,2,0,0,0,0|2,0,0]=4 16657 B13R1.669 CCCOCc1ccc(c(c1)C)Br 34a_100000210258_100000727479 [0,2,0,0,0,0|2,0,0]=4 16658 B13R1.669 CCCOCc1ccc(c(c1)C)Br 34a_100000718852_100000210303 [0,2,0,0,0,0|2,0,0]=4 16659 B13R1.669 CCCOCc1ccc(c(c1)C)Br 7a_100000718852_100000210303 [0,2,0,0,0,0|2,0,0]=4 16660 B13R1.669 CCCOCc1ccc(c(c1)C)C 34a_100000210258_100000742320 [0,2,0,0,0,0|2,0,0]=4 16661 B13R1.669 CCCOCc1ccc(c(c1)C)C 34a_100011215342_100000210303 [0,2,0,0,0,0|2,0,0]=4 16662 B13R1.669 CCCOCc1ccc(c(c1)C)C 7a_100011215342_100000210303 [0,2,0,0,0,0|2,0,0]=4 16663 B13R1.669 CCCOCc1ccc(c(c1)C)Cl 34a_100000210258_100012184735 [0,2,0,0,0,0|2,0,0]=4 16664 B13R1.669 CCCOCc1ccc(c(c1)C)F 34a_100000210258_100011216667 [0,2,0,0,0,0|2,0,0]=4 16665 B13R1.669 CCCOCc1ccc(c(c1)C)F 34a_100011219793_100000210303 [0,2,0,0,0,0|2,0,0]=4 16666 B13R1.669 CCCOCc1ccc(c(c1)C)F 7a_100011219793_100000210303 [0,2,0,0,0,0|2,0,0]=4 16667 B13R1.669 CCCOCc1ccc(c(c1)C)N 34a_200011997030_100000210303 [0,2,0,0,0,0|2,0,0]=4 16668 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 34a_100000210258_100012353895 [0,2,0,0,0,0|2,0,0]=4 16669 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100000210303 [0,2,0,0,0,0|2,0,0]=4 16670 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100000210303 [0,2,0,0,0,0|2,0,0]=4 16671 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 34a_100000210258_100011823929 [0,2,0,0,0,0|2,0,0]=4 16672 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 34a_100011290783_100000210303 [0,2,0,0,0,0|2,0,0]=4 16673 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 7a_100011290783_100000210303 [0,2,0,0,0,0|2,0,0]=4 16674 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 34a_100000210258_100000184707 [0,2,0,0,0,0|2,0,0]=4 16675 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000210303 [0,2,0,0,0,0|2,0,0]=4 16676 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000210303 [0,2,0,0,0,0|2,0,0]=4 16677 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 34a_100000210258_100011934319 [0,2,0,0,0,0|2,0,0]=4 16678 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100000210303 [0,2,0,0,0,0|2,0,0]=4 16679 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100000210303 [0,2,0,0,0,0|2,0,0]=4 16680 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 34a_100000210258_100012349665 [0,2,0,0,0,0|2,0,0]=4 16681 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100000210303 [0,2,0,0,0,0|2,0,0]=4 16682 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100000210303 [0,2,0,0,0,0|2,0,0]=4 16683 B13R1.669 CCCOCc1ccc(c(c1)F)Br 34a_100000210258_100000767054 [0,2,0,0,0,0|2,0,0]=4 16684 B13R1.669 CCCOCc1ccc(c(c1)F)Br 34a_100011533735_100000210303 [0,2,0,0,0,0|2,0,0]=4 16685 B13R1.669 CCCOCc1ccc(c(c1)F)Br 7a_100011533735_100000210303 [0,2,0,0,0,0|2,0,0]=4 16686 B13R1.669 CCCOCc1ccc(c(c1)F)C 34a_100000210258_100011217369 [0,2,0,0,0,0|2,0,0]=4 16687 B13R1.669 CCCOCc1ccc(c(c1)F)C 34a_100000702247_100000210303 [0,2,0,0,0,0|2,0,0]=4 16688 B13R1.669 CCCOCc1ccc(c(c1)F)C 7a_100000702247_100000210303 [0,2,0,0,0,0|2,0,0]=4 16689 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 34a_100000210258_100011519011 [0,2,0,0,0,0|2,0,0]=4 16690 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000210303 [0,2,0,0,0,0|2,0,0]=4 16691 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000210303 [0,2,0,0,0,0|2,0,0]=4 16692 B13R1.669 CCCOCc1ccc(c(c1)F)F 34a_100000210258_100000757363 [0,2,0,0,0,0|2,0,0]=4 16693 B13R1.669 CCCOCc1ccc(c(c1)F)F 34a_100011215442_100000210303 [0,2,0,0,0,0|2,0,0]=4 16694 B13R1.669 CCCOCc1ccc(c(c1)F)F 7a_100011215442_100000210303 [0,2,0,0,0,0|2,0,0]=4 16695 B13R1.669 CCCOCc1ccc(c(c1)F)I 34a_100000210258_100010149604 [0,2,0,0,0,0|2,0,0]=4 16696 B13R1.669 CCCOCc1ccc(c(c1)F)I 34a_100010149597_100000210303 [0,2,0,0,0,0|2,0,0]=4 16697 B13R1.669 CCCOCc1ccc(c(c1)F)I 7a_100010149597_100000210303 [0,2,0,0,0,0|2,0,0]=4 16698 B13R1.669 CCCOCc1ccc(c(c1)F)N 34a_100011217239_100000210303 [0,2,0,0,0,0|2,0,0]=4 16699 B13R1.669 CCCOCc1ccc(c(c1)I)Br 34a_100000210258_100010146616 [0,2,0,0,0,0|2,0,0]=4 16700 B13R1.669 CCCOCc1ccc(c(c1)I)C 34a_100000050133_100000210303 [0,2,0,0,0,0|2,0,0]=4 16701 B13R1.669 CCCOCc1ccc(c(c1)I)C 34a_100000210258_100010206137 [0,2,0,0,0,0|2,0,0]=4 16702 B13R1.669 CCCOCc1ccc(c(c1)I)C 7a_100000050133_100000210303 [0,2,0,0,0,0|2,0,0]=4 16703 B13R1.669 CCCOCc1ccc(c(c1)I)F 34a_100000049585_100000210303 [0,2,0,0,0,0|2,0,0]=4 16704 B13R1.669 CCCOCc1ccc(c(c1)I)F 34a_100000210258_100010188208 [0,2,0,0,0,0|2,0,0]=4 16705 B13R1.669 CCCOCc1ccc(c(c1)I)F 7a_100000049585_100000210303 [0,2,0,0,0,0|2,0,0]=4 16706 B13R1.669 CCCOCc1ccc(c(c1)N)Br 34a_100012347568_100000210303 [0,2,0,0,0,0|2,0,0]=4 16707 B13R1.669 CCCOCc1ccc(c(c1)N)C 34a_100000758420_100000210303 [0,2,0,0,0,0|2,0,0]=4 16708 B13R1.669 CCCOCc1ccc(c(c1)N)Cl 34a_106256033963_100000210303 [0,2,0,0,0,0|2,0,0]=4 16709 B13R1.669 CCCOCc1ccc(c(c1)N)F 34a_102125399562_100000210303 [0,2,0,0,0,0|2,0,0]=4 16710 B13R1.669 CCCOCc1ccc(c(n1)C)Br 34a_100010114280_100000210303 [0,2,0,0,0,0|1,0,0]=3 16711 B13R1.669 CCCOCc1ccc(c(n1)C)F 34a_200009884719_100000210303 [0,2,0,0,0,0|1,0,0]=3 16712 B13R1.669 CCCOCc1ccc(c(n1)Cl)Br 34a_100010065236_100000210303 [0,2,0,0,0,0|1,0,0]=3 16713 B13R1.669 CCCSCc1cc(=O)c(co1)O 62a_100000210303_100000010605 [0,2,0,0,0,0|2,0,0]=4 16714 B13R1.669 CCCSCc1ccc(c(c1)Br)Br 62a_100000210303_100012353900 [0,2,0,0,0,0|2,0,0]=4 16715 B13R1.669 CCCSCc1ccc(c(c1)Br)Br 62a_100012353900_100000210303 [0,2,0,0,0,0|2,0,0]=4 16716 B13R1.669 CCCSCc1ccc(c(c1)Br)C 62a_100000210303_100012232412 [0,2,0,0,0,0|2,0,0]=4 16717 B13R1.669 CCCSCc1ccc(c(c1)Br)C 62a_100012232412_100000210303 [0,2,0,0,0,0|2,0,0]=4 16718 B13R1.669 CCCSCc1ccc(c(c1)Br)Cl 62a_100000210303_100012353894 [0,2,0,0,0,0|2,0,0]=4 16719 B13R1.669 CCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000210303 [0,2,0,0,0,0|2,0,0]=4 16720 B13R1.669 CCCSCc1ccc(c(c1)Br)F 62a_100000210303_100011206884 [0,2,0,0,0,0|2,0,0]=4 16721 B13R1.669 CCCSCc1ccc(c(c1)Br)F 62a_100011206884_100000210303 [0,2,0,0,0,0|2,0,0]=4 16722 B13R1.669 CCCSCc1ccc(c(c1)C)Br 62a_100000210303_100000727479 [0,2,0,0,0,0|2,0,0]=4 16723 B13R1.669 CCCSCc1ccc(c(c1)C)Br 62a_100000727479_100000210303 [0,2,0,0,0,0|2,0,0]=4 16724 B13R1.669 CCCSCc1ccc(c(c1)C)C 62a_100000210303_100000742320 [0,2,0,0,0,0|2,0,0]=4 16725 B13R1.669 CCCSCc1ccc(c(c1)C)C 62a_100000742320_100000210303 [0,2,0,0,0,0|2,0,0]=4 16726 B13R1.669 CCCSCc1ccc(c(c1)C)Cl 62a_100000210303_100012184735 [0,2,0,0,0,0|2,0,0]=4 16727 B13R1.669 CCCSCc1ccc(c(c1)C)Cl 62a_100012184735_100000210303 [0,2,0,0,0,0|2,0,0]=4 16728 B13R1.669 CCCSCc1ccc(c(c1)C)F 62a_100000210303_100011216667 [0,2,0,0,0,0|2,0,0]=4 16729 B13R1.669 CCCSCc1ccc(c(c1)C)F 62a_100011216667_100000210303 [0,2,0,0,0,0|2,0,0]=4 16730 B13R1.669 CCCSCc1ccc(c(c1)Cl)Br 62a_100000210303_100012353895 [0,2,0,0,0,0|2,0,0]=4 16731 B13R1.669 CCCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100000210303 [0,2,0,0,0,0|2,0,0]=4 16732 B13R1.669 CCCSCc1ccc(c(c1)Cl)C 62a_100000210303_100011823929 [0,2,0,0,0,0|2,0,0]=4 16733 B13R1.669 CCCSCc1ccc(c(c1)Cl)C 62a_100011823929_100000210303 [0,2,0,0,0,0|2,0,0]=4 16734 B13R1.669 CCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000210303 [0,2,0,0,0,0|2,0,0]=4 16735 B13R1.669 CCCSCc1ccc(c(c1)Cl)Cl 62a_100000210303_100000184707 [0,2,0,0,0,0|2,0,0]=4 16736 B13R1.669 CCCSCc1ccc(c(c1)Cl)F 62a_100000210303_100011934319 [0,2,0,0,0,0|2,0,0]=4 16737 B13R1.669 CCCSCc1ccc(c(c1)Cl)F 62a_100000717365_100000210303 [0,2,0,0,0,0|2,0,0]=4 16738 B13R1.669 CCCSCc1ccc(c(c1)Cl)I 62a_100000210303_100012349665 [0,2,0,0,0,0|2,0,0]=4 16739 B13R1.669 CCCSCc1ccc(c(c1)Cl)I 62a_100012349665_100000210303 [0,2,0,0,0,0|2,0,0]=4 16740 B13R1.669 CCCSCc1ccc(c(c1)F)Br 62a_100000210303_100000767054 [0,2,0,0,0,0|2,0,0]=4 16741 B13R1.669 CCCSCc1ccc(c(c1)F)Br 62a_100000767054_100000210303 [0,2,0,0,0,0|2,0,0]=4 16742 B13R1.669 CCCSCc1ccc(c(c1)F)C 62a_100000210303_100011217369 [0,2,0,0,0,0|2,0,0]=4 16743 B13R1.669 CCCSCc1ccc(c(c1)F)C 62a_100011217369_100000210303 [0,2,0,0,0,0|2,0,0]=4 16744 B13R1.669 CCCSCc1ccc(c(c1)F)Cl 62a_100000210303_100000716492 [0,2,0,0,0,0|2,0,0]=4 16745 B13R1.669 CCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000210303 [0,2,0,0,0,0|2,0,0]=4 16746 B13R1.669 CCCSCc1ccc(c(c1)F)F 62a_100000210303_100000757363 [0,2,0,0,0,0|2,0,0]=4 16747 B13R1.669 CCCSCc1ccc(c(c1)F)F 62a_100000757363_100000210303 [0,2,0,0,0,0|2,0,0]=4 16748 B13R1.669 CCCSCc1ccc(c(c1)F)I 62a_100000210303_100010149604 [0,2,0,0,0,0|2,0,0]=4 16749 B13R1.669 CCCSCc1ccc(c(c1)F)I 62a_100010149604_100000210303 [0,2,0,0,0,0|2,0,0]=4 16750 B13R1.669 CCCSCc1ccc(c(c1)I)Br 62a_100000210303_100010146616 [0,2,0,0,0,0|2,0,0]=4 16751 B13R1.669 CCCSCc1ccc(c(c1)I)Br 62a_100010146616_100000210303 [0,2,0,0,0,0|2,0,0]=4 16752 B13R1.669 CCCSCc1ccc(c(c1)I)C 62a_100000210303_100010206137 [0,2,0,0,0,0|2,0,0]=4 16753 B13R1.669 CCCSCc1ccc(c(c1)I)C 62a_100010206137_100000210303 [0,2,0,0,0,0|2,0,0]=4 16754 B13R1.669 CCCSCc1ccc(c(c1)I)F 62a_100000210303_100010188208 [0,2,0,0,0,0|2,0,0]=4 16755 B13R1.669 CCCSCc1ccc(c(c1)I)F 62a_100010188208_100000210303 [0,2,0,0,0,0|2,0,0]=4 16756 B13R1.669 CCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210202 [0,2,0,0,0,0|2,0,0]=4 16757 B13R1.669 CCNCCc1ccc(c(c1)C)C 34a_100020591374_100000210202 [0,2,0,0,0,0|2,0,0]=4 16758 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210202 [0,2,0,0,0,0|2,0,0]=4 16759 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100015525214_100011713676 [0,2,0,0,0,0|2,0,0]=4 16760 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210202 [0,2,0,0,0,0|2,0,0]=4 16761 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 2230a_100015525214_100012361305 [0,2,0,0,0,0|2,0,0]=4 16762 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210202 [0,2,0,0,0,0|2,0,0]=4 16763 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210202 [0,2,0,0,0,0|2,0,0]=4 16764 B13R1.669 CCNCCc1ccc(c(c1)F)F 2230a_100015525214_100000690553 [0,2,0,0,0,0|2,0,0]=4 16765 B13R1.669 CCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000210202 [0,2,0,0,0,0|2,0,0]=4 16766 B13R1.669 CCNCCc1ccc(c(c1)F)F 34a_200000706328_100000210202 [0,2,0,0,0,0|2,0,0]=4 16767 B13R1.669 CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000210202 [0,2,0,0,0,0|2,0,0]=4 16768 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100000210202 [0,2,0,0,0,0|2,0,0]=4 16769 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 34a_100121572206_100011713676 [0,2,0,0,0,0|2,0,0]=4 16770 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100000210202 [0,2,0,0,0,0|2,0,0]=4 16771 B13R1.669 CCOCCc1ccc(c(c1)Cl)F 34a_100011830478_100000210202 [0,2,0,0,0,0|2,0,0]=4 16772 B13R1.669 CCOCCc1ccc(c(c1)Cl)F 34a_100121572206_100012361305 [0,2,0,0,0,0|2,0,0]=4 16773 B13R1.669 CCOCCc1ccc(c(c1)Cl)F 7a_100011830478_100000210202 [0,2,0,0,0,0|2,0,0]=4 16774 B13R1.669 CCOCCc1ccc(c(c1)F)Br 34a_100012921202_100000210202 [0,2,0,0,0,0|2,0,0]=4 16775 B13R1.669 CCOCCc1ccc(c(c1)F)Br 7a_100012921202_100000210202 [0,2,0,0,0,0|2,0,0]=4 16776 B13R1.669 CCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100000210202 [0,2,0,0,0,0|2,0,0]=4 16777 B13R1.669 CCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100000210202 [0,2,0,0,0,0|2,0,0]=4 16778 B13R1.669 CCOCCc1ccc(c(c1)F)F 34a_100000690376_100000210202 [0,2,0,0,0,0|2,0,0]=4 16779 B13R1.669 CCOCCc1ccc(c(c1)F)F 34a_100121572206_100000690553 [0,2,0,0,0,0|2,0,0]=4 16780 B13R1.669 CCOCCc1ccc(c(c1)F)F 7a_100000690376_100000210202 [0,2,0,0,0,0|2,0,0]=4 16781 B13R1.669 CCOCSc1cc(c(cn1)Br)C 62a_100000739092_100012356354 [0,2,0,0,0,0|2,0,0]=4 16782 B13R1.669 CCOCSc1cc(c(cn1)Br)C 62a_100012356354_100000739092 [0,2,0,0,0,0|2,0,0]=4 16783 B13R1.669 CCOCSc1cc(c(cn1)C)C 62a_100000739092_100009850809 [0,2,0,0,0,0|2,0,0]=4 16784 B13R1.669 CCOCSc1cc(c(cn1)C)C 62a_100009850809_100000739092 [0,2,0,0,0,0|2,0,0]=4 16785 B13R1.669 CCOCSc1cc(c(cn1)C)F 62a_100000739092_100009841206 [0,2,0,0,0,0|2,0,0]=4 16786 B13R1.669 CCOCSc1cc(c(cn1)C)F 62a_100009841206_100000739092 [0,2,0,0,0,0|2,0,0]=4 16787 B13R1.669 CCOCSc1cc(c(cn1)C)N 62a_100000126663_100000739092 [0,2,0,0,0,0|2,0,0]=4 16788 B13R1.669 CCOCSc1cc(c(cn1)C)N 62a_100000739092_100000126663 [0,2,0,0,0,0|2,0,0]=4 16789 B13R1.669 CCOCSc1cc(c(cn1)C)O 62a_100000704368_100000739092 [0,2,0,0,0,0|2,0,0]=4 16790 B13R1.669 CCOCSc1cc(c(cn1)C)O 62a_100000739092_100000704368 [0,2,0,0,0,0|2,0,0]=4 16791 B13R1.669 CCOCSc1cc(c(cn1)F)C 62a_100000739092_100009818257 [0,2,0,0,0,0|2,0,0]=4 16792 B13R1.669 CCOCSc1cc(c(cn1)F)C 62a_100009818257_100000739092 [0,2,0,0,0,0|2,0,0]=4 16793 B13R1.669 CCOCSc1cc(c(cn1)F)N 62a_100000126464_100000739092 [0,2,0,0,0,0|2,0,0]=4 16794 B13R1.669 CCOCSc1cc(c(cn1)F)N 62a_100000739092_100000126464 [0,2,0,0,0,0|2,0,0]=4 16795 B13R1.669 CCOCSc1cc(c(cn1)F)O 62a_100000739092_100009854642 [0,2,0,0,0,0|2,0,0]=4 16796 B13R1.669 CCOCSc1cc(c(cn1)F)O 62a_100009854642_100000739092 [0,2,0,0,0,0|2,0,0]=4 16797 B13R1.669 CCOCSc1cc(c(cn1)N)C 62a_100000067204_100000739092 [0,2,0,0,0,0|2,0,0]=4 16798 B13R1.669 CCOCSc1cc(c(cn1)N)C 62a_100000739092_100000067204 [0,2,0,0,0,0|2,0,0]=4 16799 B13R1.669 CCOCSc1cc(c(cn1)N)N 62a_100000067514_100000739092 [0,2,0,0,0,0|2,0,0]=4 16800 B13R1.669 CCOCSc1cc(c(cn1)N)N 62a_100000739092_100000067514 [0,2,0,0,0,0|2,0,0]=4 16801 B13R1.669 CCOCSc1cc(c(cn1)O)C 62a_100000739092_100000692680 [0,2,0,0,0,0|2,0,0]=4 16802 B13R1.669 CCOCSc1cc(c(cn1)O)N 62a_100000739092_100009819941 [0,2,0,0,0,0|2,0,0]=4 16803 B13R1.669 CCOCSc1cc(c(cn1)O)N 62a_100009819941_100000739092 [0,2,0,0,0,0|2,0,0]=4 16804 B13R1.669 CCOCSc1ccc(c(n1)Br)O 62a_100000725334_100000739092 [0,2,0,0,0,0|2,0,0]=4 16805 B13R1.669 CCOCSc1ccc(c(n1)Br)O 62a_100000739092_100000725334 [0,2,0,0,0,0|2,0,0]=4 16806 B13R1.669 CCOCSc1ccc(c(n1)C)Br 62a_100000739092_100012360386 [0,2,0,0,0,0|2,0,0]=4 16807 B13R1.669 CCOCSc1ccc(c(n1)C)Br 62a_100012360386_100000739092 [0,2,0,0,0,0|2,0,0]=4 16808 B13R1.669 CCOCSc1ccc(c(n1)C)C 62a_100000103781_100000739092 [0,2,0,0,0,0|2,0,0]=4 16809 B13R1.669 CCOCSc1ccc(c(n1)C)C 62a_100000739092_100000103781 [0,2,0,0,0,0|2,0,0]=4 16810 B13R1.669 CCOCSc1ccc(c(n1)C)F 62a_100000739092_100009814307 [0,2,0,0,0,0|2,0,0]=4 16811 B13R1.669 CCOCSc1ccc(c(n1)C)F 62a_100009814307_100000739092 [0,2,0,0,0,0|2,0,0]=4 16812 B13R1.669 CCOCSc1ccc(c(n1)C)N 62a_100000720120_100000739092 [0,2,0,0,0,0|2,0,0]=4 16813 B13R1.669 CCOCSc1ccc(c(n1)C)N 62a_100000739092_100000720120 [0,2,0,0,0,0|2,0,0]=4 16814 B13R1.669 CCOCSc1ccc(c(n1)C)O 62a_100000739092_100010233687 [0,2,0,0,0,0|2,0,0]=4 16815 B13R1.669 CCOCSc1ccc(c(n1)C)O 62a_100010233687_100000739092 [0,2,0,0,0,0|2,0,0]=4 16816 B13R1.669 CCOCSc1ccc(c(n1)Cl)N 62a_100000739092_200010233646 [0,2,0,0,0,0|2,0,0]=4 16817 B13R1.669 CCOCSc1ccc(c(n1)Cl)N 62a_200010233646_100000739092 [0,2,0,0,0,0|2,0,0]=4 16818 B13R1.669 CCOCSc1ccc(c(n1)Cl)O 62a_100000739092_100000721234 [0,2,0,0,0,0|2,0,0]=4 16819 B13R1.669 CCOCSc1ccc(c(n1)F)Br 62a_100000739092_100010134343 [0,2,0,0,0,0|2,0,0]=4 16820 B13R1.669 CCOCSc1ccc(c(n1)F)Br 62a_100010134343_100000739092 [0,2,0,0,0,0|2,0,0]=4 16821 B13R1.669 CCOCSc1ccc(c(n1)F)N 62a_100000739092_100009856439 [0,2,0,0,0,0|2,0,0]=4 16822 B13R1.669 CCOCSc1ccc(c(n1)F)N 62a_100009856439_100000739092 [0,2,0,0,0,0|2,0,0]=4 16823 B13R1.669 CCOCSc1ccc(c(n1)F)O 62a_100000739092_100009819667 [0,2,0,0,0,0|2,0,0]=4 16824 B13R1.669 CCOCSc1ccc(c(n1)F)O 62a_100009819667_100000739092 [0,2,0,0,0,0|2,0,0]=4 16825 B13R1.669 CCOCSc1ccc(c(n1)N)C 62a_100000739092_100009857032 [0,2,0,0,0,0|2,0,0]=4 16826 B13R1.669 CCOCSc1ccc(c(n1)N)C 62a_100009857032_100000739092 [0,2,0,0,0,0|2,0,0]=4 16827 B13R1.669 CCOCSc1ccc(c(n1)N)F 62a_100000739092_100016091773 [0,2,0,0,0,0|2,0,0]=4 16828 B13R1.669 CCOCSc1ccc(c(n1)N)F 62a_100016091773_100000739092 [0,2,0,0,0,0|2,0,0]=4 16829 B13R1.669 CCOCSc1ccc(c(n1)N)N 62a_100000747239_100000739092 [0,2,0,0,0,0|2,0,0]=4 16830 B13R1.669 CCOCSc1ccc(c(n1)N)O 62a_100000685527_100000739092 [0,2,0,0,0,0|2,0,0]=4 16831 B13R1.669 CCOCSc1ccc(c(n1)N)O 62a_100000739092_100000685527 [0,2,0,0,0,0|2,0,0]=4 16832 B13R1.669 CCOCSc1ccc(c(n1)O)F 62a_100000739092_100010729010 [0,2,0,0,0,0|2,0,0]=4 16833 B13R1.669 CCOCSc1ccc(c(n1)O)N 62a_100000718904_100000739092 [0,2,0,0,0,0|2,0,0]=4 16834 B13R1.669 CCSCCc1ccc(c(c1)Cl)Cl 62a_100000210202_100011713676 [0,2,0,0,0,0|2,0,0]=4 16835 B13R1.669 CCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100000210202 [0,2,0,0,0,0|2,0,0]=4 16836 B13R1.669 CCSCCc1ccc(c(c1)Cl)F 62a_100000210202_100012361305 [0,2,0,0,0,0|2,0,0]=4 16837 B13R1.669 CCSCCc1ccc(c(c1)Cl)F 62a_100012361305_100000210202 [0,2,0,0,0,0|2,0,0]=4 16838 B13R1.669 CCSCCc1ccc(c(c1)F)F 62a_100000210202_100000690553 [0,2,0,0,0,0|2,0,0]=4 16839 B13R1.669 CCSCCc1ccc(c(c1)F)F 62a_100000690553_100000210202 [0,2,0,0,0,0|2,0,0]=4 16840 B13R1.669 CCSCCc1ccc(c(c1)O)O 62a_100000210202_200010393615 [0,2,0,0,0,0|2,0,0]=4 16841 B13R1.669 COCCNc1cc(c(cn1)Br)C 34a_100012352624_200000210301 [0,2,0,0,0,0|2,0,0]=4 16842 B13R1.669 COCCNc1cc(c(cn1)Br)C 7a_100012352624_200000210301 [0,2,0,0,0,0|2,0,0]=4 16843 B13R1.669 COCCNc1cc(c(cn1)C)F 27a_100000209980_100009841206 [0,2,0,0,0,0|2,0,0]=4 16844 B13R1.669 COCCNc1ccc(c(n1)F)Br 27a_100000209980_100010134343 [0,2,0,0,0,0|2,0,0]=4 16845 B13R1.669 COCCOc1cc(c(cn1)Br)C 34a_100000766222_100011201679 [0,2,0,0,0,0|2,0,0]=4 16846 B13R1.669 COCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100011201679 [0,2,0,0,0,0|2,0,0]=4 16847 B13R1.669 COCCOc1cc(c(cn1)C)Br 34a_100009831917_100011201679 [0,2,0,0,0,0|2,0,0]=4 16848 B13R1.669 COCCOc1cc(c(cn1)Cl)C 34a_200000085746_100011201679 [0,2,0,0,0,0|2,0,0]=4 16849 B13R1.669 COCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011201679 [0,2,0,0,0,0|2,0,0]=4 16850 B13R1.669 COCCOc1ccc(c(n1)C)Br 34a_100000691680_100011201679 [0,2,0,0,0,0|2,0,0]=4 16851 B13R1.669 COCCOc1ccc(c(n1)C)Cl 34a_200009863735_100011201679 [0,2,0,0,0,0|2,0,0]=4 16852 B13R1.669 COCCOc1ccc(c(n1)F)Br 34a_100009879308_100011201679 [0,2,0,0,0,0|2,0,0]=4 16853 B13R1.669 COCCSc1cc(c(cn1)Br)C 62a_100000233755_100012356354 [0,2,0,0,0,0|2,0,0]=4 16854 B13R1.669 COCCSc1cc(c(cn1)Br)C 62a_100012356354_100000233755 [0,2,0,0,0,0|2,0,0]=4 16855 B13R1.669 COCCSc1cc(c(cn1)C)C 62a_100000233755_100009850809 [0,2,0,0,0,0|2,0,0]=4 16856 B13R1.669 COCCSc1cc(c(cn1)C)C 62a_100009850809_100000233755 [0,2,0,0,0,0|2,0,0]=4 16857 B13R1.669 COCCSc1cc(c(cn1)C)F 62a_100000233755_100009841206 [0,2,0,0,0,0|2,0,0]=4 16858 B13R1.669 COCCSc1cc(c(cn1)C)F 62a_100009841206_100000233755 [0,2,0,0,0,0|2,0,0]=4 16859 B13R1.669 COCCSc1cc(c(cn1)C)N 62a_100000126663_100000233755 [0,2,0,0,0,0|2,0,0]=4 16860 B13R1.669 COCCSc1cc(c(cn1)C)N 62a_100000233755_100000126663 [0,2,0,0,0,0|2,0,0]=4 16861 B13R1.669 COCCSc1cc(c(cn1)C)O 62a_100000233755_100000704368 [0,2,0,0,0,0|2,0,0]=4 16862 B13R1.669 COCCSc1cc(c(cn1)C)O 62a_100000704368_100000233755 [0,2,0,0,0,0|2,0,0]=4 16863 B13R1.669 COCCSc1cc(c(cn1)F)C 62a_100000233755_100009818257 [0,2,0,0,0,0|2,0,0]=4 16864 B13R1.669 COCCSc1cc(c(cn1)F)C 62a_100009818257_100000233755 [0,2,0,0,0,0|2,0,0]=4 16865 B13R1.669 COCCSc1cc(c(cn1)F)N 62a_100000126464_100000233755 [0,2,0,0,0,0|2,0,0]=4 16866 B13R1.669 COCCSc1cc(c(cn1)F)N 62a_100000233755_100000126464 [0,2,0,0,0,0|2,0,0]=4 16867 B13R1.669 COCCSc1cc(c(cn1)F)O 62a_100000233755_100009854642 [0,2,0,0,0,0|2,0,0]=4 16868 B13R1.669 COCCSc1cc(c(cn1)F)O 62a_100009854642_100000233755 [0,2,0,0,0,0|2,0,0]=4 16869 B13R1.669 COCCSc1cc(c(cn1)N)C 62a_100000067204_100000233755 [0,2,0,0,0,0|2,0,0]=4 16870 B13R1.669 COCCSc1cc(c(cn1)N)C 62a_100000233755_100000067204 [0,2,0,0,0,0|2,0,0]=4 16871 B13R1.669 COCCSc1cc(c(cn1)N)N 62a_100000067514_100000233755 [0,2,0,0,0,0|2,0,0]=4 16872 B13R1.669 COCCSc1cc(c(cn1)N)N 62a_100000233755_100000067514 [0,2,0,0,0,0|2,0,0]=4 16873 B13R1.669 COCCSc1cc(c(cn1)O)C 62a_100000233755_100000692680 [0,2,0,0,0,0|2,0,0]=4 16874 B13R1.669 COCCSc1cc(c(cn1)O)N 62a_100000233755_100009819941 [0,2,0,0,0,0|2,0,0]=4 16875 B13R1.669 COCCSc1cc(c(cn1)O)N 62a_100009819941_100000233755 [0,2,0,0,0,0|2,0,0]=4 16876 B13R1.669 COCCSc1ccc(c(n1)Br)O 62a_100000233755_100000725334 [0,2,0,0,0,0|2,0,0]=4 16877 B13R1.669 COCCSc1ccc(c(n1)Br)O 62a_100000725334_100000233755 [0,2,0,0,0,0|2,0,0]=4 16878 B13R1.669 COCCSc1ccc(c(n1)C)Br 62a_100000233755_100012360386 [0,2,0,0,0,0|2,0,0]=4 16879 B13R1.669 COCCSc1ccc(c(n1)C)Br 62a_100012360386_100000233755 [0,2,0,0,0,0|2,0,0]=4 16880 B13R1.669 COCCSc1ccc(c(n1)C)C 62a_100000103781_100000233755 [0,2,0,0,0,0|2,0,0]=4 16881 B13R1.669 COCCSc1ccc(c(n1)C)C 62a_100000233755_100000103781 [0,2,0,0,0,0|2,0,0]=4 16882 B13R1.669 COCCSc1ccc(c(n1)C)F 62a_100000233755_100009814307 [0,2,0,0,0,0|2,0,0]=4 16883 B13R1.669 COCCSc1ccc(c(n1)C)F 62a_100009814307_100000233755 [0,2,0,0,0,0|2,0,0]=4 16884 B13R1.669 COCCSc1ccc(c(n1)C)N 62a_100000233755_100000720120 [0,2,0,0,0,0|2,0,0]=4 16885 B13R1.669 COCCSc1ccc(c(n1)C)N 62a_100000720120_100000233755 [0,2,0,0,0,0|2,0,0]=4 16886 B13R1.669 COCCSc1ccc(c(n1)C)O 62a_100000233755_100010233687 [0,2,0,0,0,0|2,0,0]=4 16887 B13R1.669 COCCSc1ccc(c(n1)C)O 62a_100010233687_100000233755 [0,2,0,0,0,0|2,0,0]=4 16888 B13R1.669 COCCSc1ccc(c(n1)Cl)N 62a_100000233755_200010233646 [0,2,0,0,0,0|2,0,0]=4 16889 B13R1.669 COCCSc1ccc(c(n1)Cl)N 62a_200010233646_100000233755 [0,2,0,0,0,0|2,0,0]=4 16890 B13R1.669 COCCSc1ccc(c(n1)Cl)O 62a_100000233755_100000721234 [0,2,0,0,0,0|2,0,0]=4 16891 B13R1.669 COCCSc1ccc(c(n1)F)Br 62a_100000233755_100010134343 [0,2,0,0,0,0|2,0,0]=4 16892 B13R1.669 COCCSc1ccc(c(n1)F)Br 62a_100010134343_100000233755 [0,2,0,0,0,0|2,0,0]=4 16893 B13R1.669 COCCSc1ccc(c(n1)F)N 62a_100000233755_100009856439 [0,2,0,0,0,0|2,0,0]=4 16894 B13R1.669 COCCSc1ccc(c(n1)F)N 62a_100009856439_100000233755 [0,2,0,0,0,0|2,0,0]=4 16895 B13R1.669 COCCSc1ccc(c(n1)F)O 62a_100000233755_100009819667 [0,2,0,0,0,0|2,0,0]=4 16896 B13R1.669 COCCSc1ccc(c(n1)F)O 62a_100009819667_100000233755 [0,2,0,0,0,0|2,0,0]=4 16897 B13R1.669 COCCSc1ccc(c(n1)N)C 62a_100000233755_100009857032 [0,2,0,0,0,0|2,0,0]=4 16898 B13R1.669 COCCSc1ccc(c(n1)N)C 62a_100009857032_100000233755 [0,2,0,0,0,0|2,0,0]=4 16899 B13R1.669 COCCSc1ccc(c(n1)N)F 62a_100000233755_100016091773 [0,2,0,0,0,0|2,0,0]=4 16900 B13R1.669 COCCSc1ccc(c(n1)N)F 62a_100016091773_100000233755 [0,2,0,0,0,0|2,0,0]=4 16901 B13R1.669 COCCSc1ccc(c(n1)N)N 62a_100000747239_100000233755 [0,2,0,0,0,0|2,0,0]=4 16902 B13R1.669 COCCSc1ccc(c(n1)N)O 62a_100000233755_100000685527 [0,2,0,0,0,0|2,0,0]=4 16903 B13R1.669 COCCSc1ccc(c(n1)N)O 62a_100000685527_100000233755 [0,2,0,0,0,0|2,0,0]=4 16904 B13R1.669 COCCSc1ccc(c(n1)O)F 62a_100000233755_100010729010 [0,2,0,0,0,0|2,0,0]=4 16905 B13R1.669 COCCSc1ccc(c(n1)O)N 62a_100000718904_100000233755 [0,2,0,0,0,0|2,0,0]=4 16906 B13R1.669 COCNCc1ccc(c(n1)C)C 2230a_202515432893_100000766300 [0,2,0,0,0,0|2,0,0]=4 16907 B13R1.669 COCNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100000766300 [0,2,0,0,0,0|2,0,0]=4 16908 B13R1.669 CSCCNc1cc(c(cn1)C)F 27a_100020590264_100009841206 [0,2,0,0,0,0|2,0,0]=4 16909 B13R1.669 CSCCNc1ccc(c(n1)F)Br 27a_100020590264_100010134343 [0,2,0,0,0,0|2,0,0]=4 16910 B13R1.669 CSCCOc1cc(c(cn1)Br)C 34a_100000766222_100000212216 [0,2,0,0,0,0|2,0,0]=4 16911 B13R1.669 CSCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000212216 [0,2,0,0,0,0|2,0,0]=4 16912 B13R1.669 CSCCOc1cc(c(cn1)C)Br 34a_100009831917_100000212216 [0,2,0,0,0,0|2,0,0]=4 16913 B13R1.669 CSCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000212216 [0,2,0,0,0,0|2,0,0]=4 16914 B13R1.669 CSCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000212216 [0,2,0,0,0,0|2,0,0]=4 16915 B13R1.669 CSCCOc1ccc(c(n1)C)Br 34a_100000691680_100000212216 [0,2,0,0,0,0|2,0,0]=4 16916 B13R1.669 CSCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000212216 [0,2,0,0,0,0|2,0,0]=4 16917 B13R1.669 CSCCOc1ccc(c(n1)F)Br 34a_100009879308_100000212216 [0,2,0,0,0,0|2,0,0]=4 16918 B13R1.669 CSCCSc1cc(c(cn1)Br)C 62a_100000212216_100012356354 [0,2,0,0,0,0|2,0,0]=4 16919 B13R1.669 CSCCSc1cc(c(cn1)Br)C 62a_100012356354_100000751147 [0,2,0,0,0,0|2,0,0]=4 16920 B13R1.669 CSCCSc1cc(c(cn1)C)C 62a_100000212216_100009850809 [0,2,0,0,0,0|2,0,0]=4 16921 B13R1.669 CSCCSc1cc(c(cn1)C)C 62a_100009850809_100000751147 [0,2,0,0,0,0|2,0,0]=4 16922 B13R1.669 CSCCSc1cc(c(cn1)C)F 62a_100000212216_100009841206 [0,2,0,0,0,0|2,0,0]=4 16923 B13R1.669 CSCCSc1cc(c(cn1)C)F 62a_100009841206_100000751147 [0,2,0,0,0,0|2,0,0]=4 16924 B13R1.669 CSCCSc1cc(c(cn1)C)N 62a_100000126663_100000751147 [0,2,0,0,0,0|2,0,0]=4 16925 B13R1.669 CSCCSc1cc(c(cn1)C)N 62a_100000212216_100000126663 [0,2,0,0,0,0|2,0,0]=4 16926 B13R1.669 CSCCSc1cc(c(cn1)C)O 62a_100000212216_100000704368 [0,2,0,0,0,0|2,0,0]=4 16927 B13R1.669 CSCCSc1cc(c(cn1)C)O 62a_100000704368_100000751147 [0,2,0,0,0,0|2,0,0]=4 16928 B13R1.669 CSCCSc1cc(c(cn1)F)C 62a_100000212216_100009818257 [0,2,0,0,0,0|2,0,0]=4 16929 B13R1.669 CSCCSc1cc(c(cn1)F)C 62a_100009818257_100000751147 [0,2,0,0,0,0|2,0,0]=4 16930 B13R1.669 CSCCSc1cc(c(cn1)F)N 62a_100000126464_100000751147 [0,2,0,0,0,0|2,0,0]=4 16931 B13R1.669 CSCCSc1cc(c(cn1)F)N 62a_100000212216_100000126464 [0,2,0,0,0,0|2,0,0]=4 16932 B13R1.669 CSCCSc1cc(c(cn1)F)O 62a_100000212216_100009854642 [0,2,0,0,0,0|2,0,0]=4 16933 B13R1.669 CSCCSc1cc(c(cn1)F)O 62a_100009854642_100000751147 [0,2,0,0,0,0|2,0,0]=4 16934 B13R1.669 CSCCSc1cc(c(cn1)N)C 62a_100000067204_100000751147 [0,2,0,0,0,0|2,0,0]=4 16935 B13R1.669 CSCCSc1cc(c(cn1)N)C 62a_100000212216_100000067204 [0,2,0,0,0,0|2,0,0]=4 16936 B13R1.669 CSCCSc1cc(c(cn1)N)N 62a_100000067514_100000751147 [0,2,0,0,0,0|2,0,0]=4 16937 B13R1.669 CSCCSc1cc(c(cn1)N)N 62a_100000212216_100000067514 [0,2,0,0,0,0|2,0,0]=4 16938 B13R1.669 CSCCSc1cc(c(cn1)O)C 62a_100000212216_100000692680 [0,2,0,0,0,0|2,0,0]=4 16939 B13R1.669 CSCCSc1cc(c(cn1)O)N 62a_100000212216_100009819941 [0,2,0,0,0,0|2,0,0]=4 16940 B13R1.669 CSCCSc1cc(c(cn1)O)N 62a_100009819941_100000751147 [0,2,0,0,0,0|2,0,0]=4 16941 B13R1.669 CSCCSc1ccc(c(n1)Br)O 62a_100000212216_100000725334 [0,2,0,0,0,0|2,0,0]=4 16942 B13R1.669 CSCCSc1ccc(c(n1)Br)O 62a_100000725334_100000751147 [0,2,0,0,0,0|2,0,0]=4 16943 B13R1.669 CSCCSc1ccc(c(n1)C)Br 62a_100000212216_100012360386 [0,2,0,0,0,0|2,0,0]=4 16944 B13R1.669 CSCCSc1ccc(c(n1)C)Br 62a_100012360386_100000751147 [0,2,0,0,0,0|2,0,0]=4 16945 B13R1.669 CSCCSc1ccc(c(n1)C)C 62a_100000103781_100000751147 [0,2,0,0,0,0|2,0,0]=4 16946 B13R1.669 CSCCSc1ccc(c(n1)C)C 62a_100000212216_100000103781 [0,2,0,0,0,0|2,0,0]=4 16947 B13R1.669 CSCCSc1ccc(c(n1)C)F 62a_100000212216_100009814307 [0,2,0,0,0,0|2,0,0]=4 16948 B13R1.669 CSCCSc1ccc(c(n1)C)F 62a_100009814307_100000751147 [0,2,0,0,0,0|2,0,0]=4 16949 B13R1.669 CSCCSc1ccc(c(n1)C)N 62a_100000212216_100000720120 [0,2,0,0,0,0|2,0,0]=4 16950 B13R1.669 CSCCSc1ccc(c(n1)C)N 62a_100000720120_100000751147 [0,2,0,0,0,0|2,0,0]=4 16951 B13R1.669 CSCCSc1ccc(c(n1)C)O 62a_100000212216_100010233687 [0,2,0,0,0,0|2,0,0]=4 16952 B13R1.669 CSCCSc1ccc(c(n1)C)O 62a_100010233687_100000751147 [0,2,0,0,0,0|2,0,0]=4 16953 B13R1.669 CSCCSc1ccc(c(n1)Cl)N 62a_100000212216_200010233646 [0,2,0,0,0,0|2,0,0]=4 16954 B13R1.669 CSCCSc1ccc(c(n1)Cl)N 62a_200010233646_100000751147 [0,2,0,0,0,0|2,0,0]=4 16955 B13R1.669 CSCCSc1ccc(c(n1)Cl)O 62a_100000212216_100000721234 [0,2,0,0,0,0|2,0,0]=4 16956 B13R1.669 CSCCSc1ccc(c(n1)F)Br 62a_100000212216_100010134343 [0,2,0,0,0,0|2,0,0]=4 16957 B13R1.669 CSCCSc1ccc(c(n1)F)Br 62a_100010134343_100000751147 [0,2,0,0,0,0|2,0,0]=4 16958 B13R1.669 CSCCSc1ccc(c(n1)F)N 62a_100000212216_100009856439 [0,2,0,0,0,0|2,0,0]=4 16959 B13R1.669 CSCCSc1ccc(c(n1)F)N 62a_100009856439_100000751147 [0,2,0,0,0,0|2,0,0]=4 16960 B13R1.669 CSCCSc1ccc(c(n1)F)O 62a_100000212216_100009819667 [0,2,0,0,0,0|2,0,0]=4 16961 B13R1.669 CSCCSc1ccc(c(n1)F)O 62a_100009819667_100000751147 [0,2,0,0,0,0|2,0,0]=4 16962 B13R1.669 CSCCSc1ccc(c(n1)N)C 62a_100000212216_100009857032 [0,2,0,0,0,0|2,0,0]=4 16963 B13R1.669 CSCCSc1ccc(c(n1)N)C 62a_100009857032_100000751147 [0,2,0,0,0,0|2,0,0]=4 16964 B13R1.669 CSCCSc1ccc(c(n1)N)F 62a_100000212216_100016091773 [0,2,0,0,0,0|2,0,0]=4 16965 B13R1.669 CSCCSc1ccc(c(n1)N)F 62a_100016091773_100000751147 [0,2,0,0,0,0|2,0,0]=4 16966 B13R1.669 CSCCSc1ccc(c(n1)N)N 62a_100000747239_100000751147 [0,2,0,0,0,0|2,0,0]=4 16967 B13R1.669 CSCCSc1ccc(c(n1)N)O 62a_100000212216_100000685527 [0,2,0,0,0,0|2,0,0]=4 16968 B13R1.669 CSCCSc1ccc(c(n1)N)O 62a_100000685527_100000751147 [0,2,0,0,0,0|2,0,0]=4 16969 B13R1.669 CSCCSc1ccc(c(n1)O)F 62a_100000212216_100010729010 [0,2,0,0,0,0|2,0,0]=4 16970 B13R1.669 CSCCSc1ccc(c(n1)O)N 62a_100000718904_100000751147 [0,2,0,0,0,0|2,0,0]=4 16971 B13R1.669 CSCNCc1ccc(c(n1)C)C 2230a_202515432893_100011218213 [0,2,0,0,0,0|2,0,0]=4 16972 B13R1.669 CSCNCc1ccc(c(n1)C)C 34a_202515432893_100011218213 [0,2,0,0,0,0|2,0,0]=4 16973 B13R1.669 CSCNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100011218213 [0,2,0,0,0,0|2,0,0]=4 16974 B13R1.669 CSCNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100011218213 [0,2,0,0,0,0|2,0,0]=4 16975 B13R1.669 CSCOCc1cc(c(cn1)Br)C 34a_200010713146_100011218213 [0,2,0,0,0,0|2,0,0]=4 16976 B13R1.669 CSCOCc1cc(c(cn1)C)Br 34a_100010113723_100011218213 [0,2,0,0,0,0|2,0,0]=4 16977 B13R1.669 CSCOCc1cc(c(cn1)C)Cl 34a_200000144627_100011218213 [0,2,0,0,0,0|2,0,0]=4 16978 B13R1.669 CSCOCc1ccc(c(n1)C)Br 34a_100010114280_100011218213 [0,2,0,0,0,0|2,0,0]=4 16979 B13R1.669 CSCOCc1ccc(c(n1)C)F 34a_200009884719_100011218213 [0,2,0,0,0,0|2,0,0]=4 16980 B13R1.669 CSCOCc1ccc(c(n1)Cl)Br 34a_100010065236_100011218213 [0,2,0,0,0,0|2,0,0]=4 16981 B13R1.669 Cc1cc(ncc1Br)CNCCO 207a_100000210304_100009814806 [0,2,0,0,0,0|2,0,0]=4 16982 B13R1.669 Cc1cc(ncc1Br)CNCCO 270004a_100000210304_100009814806 [0,2,0,0,0,0|2,0,0]=4 16983 B13R1.669 Cc1cc(ncc1Br)COCCF 34a_200010713146_100011217306 [0,2,0,0,0,0|2,0,0]=4 16984 B13R1.669 Cc1cc(ncc1Br)COCCO 34a_200010713146_100000211926 [0,2,0,0,0,0|2,0,0]=4 16985 B13R1.669 Cc1cc(ncc1Br)NCCO[13CH3] 34a_100012352624_200025704644 [0,2,0,0,0,0|2,0,0]=4 16986 B13R1.669 Cc1cc(ncc1Br)NCCO[13CH3] 7a_100012352624_200025704644 [0,2,0,0,0,0|2,0,0]=4 16987 B13R1.669 Cc1cc(ncc1Br)OCCCF 34a_100000766222_100011934791 [0,2,0,0,0,0|2,0,0]=4 16988 B13R1.669 Cc1cc(ncc1Br)OCCCO 34a_100000766222_100000230001 [0,2,0,0,0,0|2,0,0]=4 16989 B13R1.669 Cc1cc(ncc1Br)SCCCF 62a_100011934791_100012356354 [0,2,0,0,0,0|2,0,0]=4 16990 B13R1.669 Cc1cc(ncc1Br)SCCCF 62a_100012356354_100011934791 [0,2,0,0,0,0|2,0,0]=4 16991 B13R1.669 Cc1cc(ncc1Br)SCCCO 62a_100011215043_100012356354 [0,2,0,0,0,0|2,0,0]=4 16992 B13R1.669 Cc1cc(ncc1Br)SCCCO 62a_100012356354_100011215043 [0,2,0,0,0,0|2,0,0]=4 16993 B13R1.669 Cc1cc(ncc1Cl)OCCCF 34a_200000085746_100011934791 [0,2,0,0,0,0|2,0,0]=4 16994 B13R1.669 Cc1cc(ncc1Cl)OCCCO 34a_200000085746_100000230001 [0,2,0,0,0,0|2,0,0]=4 16995 B13R1.669 Cc1cc(ncc1F)SCCCF 62a_100009818257_100011934791 [0,2,0,0,0,0|2,0,0]=4 16996 B13R1.669 Cc1cc(ncc1F)SCCCF 62a_100011934791_100009818257 [0,2,0,0,0,0|2,0,0]=4 16997 B13R1.669 Cc1cc(ncc1F)SCCCO 62a_100009818257_100011215043 [0,2,0,0,0,0|2,0,0]=4 16998 B13R1.669 Cc1cc(ncc1F)SCCCO 62a_100011215043_100009818257 [0,2,0,0,0,0|2,0,0]=4 16999 B13R1.669 Cc1cc(ncc1N)SCCCF 62a_100000067204_100011934791 [0,2,0,0,0,0|2,0,0]=4 17000 B13R1.669 Cc1cc(ncc1N)SCCCF 62a_100011934791_100000067204 [0,2,0,0,0,0|2,0,0]=4 17001 B13R1.669 Cc1cc(ncc1N)SCCCO 62a_100000067204_100011215043 [0,2,0,0,0,0|2,0,0]=4 17002 B13R1.669 Cc1cc(ncc1N)SCCCO 62a_100011215043_100000067204 [0,2,0,0,0,0|2,0,0]=4 17003 B13R1.669 Cc1cc(ncc1O)SCCCF 62a_100011934791_100000692680 [0,2,0,0,0,0|2,0,0]=4 17004 B13R1.669 Cc1cc(ncc1O)SCCCO 62a_100011215043_100000692680 [0,2,0,0,0,0|2,0,0]=4 17005 B13R1.669 Cc1ccc(nc1C)CNCCF 2230a_202515432893_100011217306 [0,2,0,0,0,0|2,0,0]=4 17006 B13R1.669 Cc1ccc(nc1C)CNCCF 34a_202515432893_100011217306 [0,2,0,0,0,0|2,0,0]=4 17007 B13R1.669 Cc1ccc(nc1C)CNCCO 2230a_202515432893_100000211926 [0,2,0,0,0,0|2,0,0]=4 17008 B13R1.669 Cc1ccc(nc1C)CNCCO 34a_202515432893_100000211926 [0,2,0,0,0,0|2,0,0]=4 17009 B13R1.669 Cc1ccc(nc1C)SCCCF 62a_100000103781_100011934791 [0,2,0,0,0,0|2,0,0]=4 17010 B13R1.669 Cc1ccc(nc1C)SCCCF 62a_100011934791_100000103781 [0,2,0,0,0,0|2,0,0]=4 17011 B13R1.669 Cc1ccc(nc1C)SCCCO 62a_100000103781_100011215043 [0,2,0,0,0,0|2,0,0]=4 17012 B13R1.669 Cc1ccc(nc1C)SCCCO 62a_100011215043_100000103781 [0,2,0,0,0,0|2,0,0]=4 17013 B13R1.669 Cc1ccc(nc1N)SCCCF 62a_100009857032_100011934791 [0,2,0,0,0,0|2,0,0]=4 17014 B13R1.669 Cc1ccc(nc1N)SCCCF 62a_100011934791_100009857032 [0,2,0,0,0,0|2,0,0]=4 17015 B13R1.669 Cc1ccc(nc1N)SCCCO 62a_100009857032_100011215043 [0,2,0,0,0,0|2,0,0]=4 17016 B13R1.669 Cc1ccc(nc1N)SCCCO 62a_100011215043_100009857032 [0,2,0,0,0,0|2,0,0]=4 17017 B13R1.669 Cc1cnc(cc1Br)CNCCO 207a_100000210304_100010174032 [0,2,0,0,0,0|2,0,0]=4 17018 B13R1.669 Cc1cnc(cc1Br)CNCCO 270004a_100000210304_100010174032 [0,2,0,0,0,0|2,0,0]=4 17019 B13R1.669 Cc1cnc(cc1Br)COCCF 34a_100010113723_100011217306 [0,2,0,0,0,0|2,0,0]=4 17020 B13R1.669 Cc1cnc(cc1Br)COCCF 7a_100010113723_100011217306 [0,2,0,0,0,0|2,0,0]=4 17021 B13R1.669 Cc1cnc(cc1Br)COCCO 34a_100010113723_100000211926 [0,2,0,0,0,0|2,0,0]=4 17022 B13R1.669 Cc1cnc(cc1Br)COCCO 7a_100010113723_100000211926 [0,2,0,0,0,0|2,0,0]=4 17023 B13R1.669 Cc1cnc(cc1Br)OCCCF 34a_100009831917_100011934791 [0,2,0,0,0,0|2,0,0]=4 17024 B13R1.669 Cc1cnc(cc1Br)OCCCO 34a_100009831917_100000230001 [0,2,0,0,0,0|2,0,0]=4 17025 B13R1.669 Cc1cnc(cc1C)SCCCF 62a_100009850809_100011934791 [0,2,0,0,0,0|2,0,0]=4 17026 B13R1.669 Cc1cnc(cc1C)SCCCF 62a_100011934791_100009850809 [0,2,0,0,0,0|2,0,0]=4 17027 B13R1.669 Cc1cnc(cc1C)SCCCO 62a_100009850809_100011215043 [0,2,0,0,0,0|2,0,0]=4 17028 B13R1.669 Cc1cnc(cc1C)SCCCO 62a_100011215043_100009850809 [0,2,0,0,0,0|2,0,0]=4 17029 B13R1.669 Cc1cnc(cc1Cl)COCCF 34a_200000144627_100011217306 [0,2,0,0,0,0|2,0,0]=4 17030 B13R1.669 Cc1cnc(cc1Cl)COCCF 7a_200000144627_100011217306 [0,2,0,0,0,0|2,0,0]=4 17031 B13R1.669 Cc1cnc(cc1Cl)COCCO 34a_200000144627_100000211926 [0,2,0,0,0,0|2,0,0]=4 17032 B13R1.669 Cc1cnc(cc1Cl)COCCO 7a_200000144627_100000211926 [0,2,0,0,0,0|2,0,0]=4 17033 B13R1.669 Cc1cnc(cc1F)NCCCF 27a_100015189416_100009841206 [0,2,0,0,0,0|2,0,0]=4 17034 B13R1.669 Cc1cnc(cc1F)NCCCO 27a_100000182051_100009841206 [0,2,0,0,0,0|2,0,0]=4 17035 B13R1.669 Cc1cnc(cc1F)SCCCF 62a_100009841206_100011934791 [0,2,0,0,0,0|2,0,0]=4 17036 B13R1.669 Cc1cnc(cc1F)SCCCF 62a_100011934791_100009841206 [0,2,0,0,0,0|2,0,0]=4 17037 B13R1.669 Cc1cnc(cc1F)SCCCO 62a_100009841206_100011215043 [0,2,0,0,0,0|2,0,0]=4 17038 B13R1.669 Cc1cnc(cc1F)SCCCO 62a_100011215043_100009841206 [0,2,0,0,0,0|2,0,0]=4 17039 B13R1.669 Cc1cnc(cc1N)SCCCF 62a_100000126663_100011934791 [0,2,0,0,0,0|2,0,0]=4 17040 B13R1.669 Cc1cnc(cc1N)SCCCF 62a_100011934791_100000126663 [0,2,0,0,0,0|2,0,0]=4 17041 B13R1.669 Cc1cnc(cc1N)SCCCO 62a_100000126663_100011215043 [0,2,0,0,0,0|2,0,0]=4 17042 B13R1.669 Cc1cnc(cc1N)SCCCO 62a_100011215043_100000126663 [0,2,0,0,0,0|2,0,0]=4 17043 B13R1.669 Cc1cnc(cc1O)SCCCF 62a_100000704368_100011934791 [0,2,0,0,0,0|2,0,0]=4 17044 B13R1.669 Cc1cnc(cc1O)SCCCF 62a_100011934791_100000704368 [0,2,0,0,0,0|2,0,0]=4 17045 B13R1.669 Cc1cnc(cc1O)SCCCO 62a_100000704368_100011215043 [0,2,0,0,0,0|2,0,0]=4 17046 B13R1.669 Cc1cnc(cc1O)SCCCO 62a_100011215043_100000704368 [0,2,0,0,0,0|2,0,0]=4 17047 B13R1.669 Cc1nc(ccc1Br)CNCCO 207a_100000210304_100010238520 [0,2,0,0,0,0|2,0,0]=4 17048 B13R1.669 Cc1nc(ccc1Br)CNCCO 270004a_100000210304_100010238520 [0,2,0,0,0,0|2,0,0]=4 17049 B13R1.669 Cc1nc(ccc1Br)COCCF 34a_100010114280_100011217306 [0,2,0,0,0,0|2,0,0]=4 17050 B13R1.669 Cc1nc(ccc1Br)COCCO 34a_100010114280_100000211926 [0,2,0,0,0,0|2,0,0]=4 17051 B13R1.669 Cc1nc(ccc1Br)OCCCF 34a_100000691680_100011934791 [0,2,0,0,0,0|2,0,0]=4 17052 B13R1.669 Cc1nc(ccc1Br)OCCCO 34a_100000691680_100000230001 [0,2,0,0,0,0|2,0,0]=4 17053 B13R1.669 Cc1nc(ccc1Br)SCCCF 62a_100011934791_100012360386 [0,2,0,0,0,0|2,0,0]=4 17054 B13R1.669 Cc1nc(ccc1Br)SCCCF 62a_100012360386_100011934791 [0,2,0,0,0,0|2,0,0]=4 17055 B13R1.669 Cc1nc(ccc1Br)SCCCO 62a_100011215043_100012360386 [0,2,0,0,0,0|2,0,0]=4 17056 B13R1.669 Cc1nc(ccc1Br)SCCCO 62a_100012360386_100011215043 [0,2,0,0,0,0|2,0,0]=4 17057 B13R1.669 Cc1nc(ccc1Cl)OCCCF 34a_200009863735_100011934791 [0,2,0,0,0,0|2,0,0]=4 17058 B13R1.669 Cc1nc(ccc1Cl)OCCCO 34a_200009863735_100000230001 [0,2,0,0,0,0|2,0,0]=4 17059 B13R1.669 Cc1nc(ccc1F)COCCF 34a_200009884719_100011217306 [0,2,0,0,0,0|2,0,0]=4 17060 B13R1.669 Cc1nc(ccc1F)COCCO 34a_200009884719_100000211926 [0,2,0,0,0,0|2,0,0]=4 17061 B13R1.669 Cc1nc(ccc1F)SCCCF 62a_100009814307_100011934791 [0,2,0,0,0,0|2,0,0]=4 17062 B13R1.669 Cc1nc(ccc1F)SCCCF 62a_100011934791_100009814307 [0,2,0,0,0,0|2,0,0]=4 17063 B13R1.669 Cc1nc(ccc1F)SCCCO 62a_100009814307_100011215043 [0,2,0,0,0,0|2,0,0]=4 17064 B13R1.669 Cc1nc(ccc1F)SCCCO 62a_100011215043_100009814307 [0,2,0,0,0,0|2,0,0]=4 17065 B13R1.669 Cc1nc(ccc1N)SCCCF 62a_100000720120_100011934791 [0,2,0,0,0,0|2,0,0]=4 17066 B13R1.669 Cc1nc(ccc1N)SCCCF 62a_100011934791_100000720120 [0,2,0,0,0,0|2,0,0]=4 17067 B13R1.669 Cc1nc(ccc1N)SCCCO 62a_100000720120_100011215043 [0,2,0,0,0,0|2,0,0]=4 17068 B13R1.669 Cc1nc(ccc1N)SCCCO 62a_100011215043_100000720120 [0,2,0,0,0,0|2,0,0]=4 17069 B13R1.669 Cc1nc(ccc1O)SCCCF 62a_100010233687_100011934791 [0,2,0,0,0,0|2,0,0]=4 17070 B13R1.669 Cc1nc(ccc1O)SCCCF 62a_100011934791_100010233687 [0,2,0,0,0,0|2,0,0]=4 17071 B13R1.669 Cc1nc(ccc1O)SCCCO 62a_100010233687_100011215043 [0,2,0,0,0,0|2,0,0]=4 17072 B13R1.669 Cc1nc(ccc1O)SCCCO 62a_100011215043_100010233687 [0,2,0,0,0,0|2,0,0]=4 17073 B13R1.669 FCCCNc1ccc(c(n1)F)Br 27a_100015189416_100010134343 [0,2,0,0,0,0|2,0,0]=4 17074 B13R1.669 FCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100011934791 [0,2,0,0,0,0|2,0,0]=4 17075 B13R1.669 FCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011934791 [0,2,0,0,0,0|2,0,0]=4 17076 B13R1.669 FCCCOc1ccc(c(n1)F)Br 34a_100009879308_100011934791 [0,2,0,0,0,0|2,0,0]=4 17077 B13R1.669 FCCCSc1ccc(c(n1)F)Br 62a_100010134343_100011934791 [0,2,0,0,0,0|2,0,0]=4 17078 B13R1.669 FCCCSc1ccc(c(n1)F)Br 62a_100011934791_100010134343 [0,2,0,0,0,0|2,0,0]=4 17079 B13R1.669 FCCNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100011217306 [0,2,0,0,0,0|2,0,0]=4 17080 B13R1.669 FCCNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100011217306 [0,2,0,0,0,0|2,0,0]=4 17081 B13R1.669 FCCOCc1ccc(c(n1)Cl)Br 34a_100010065236_100011217306 [0,2,0,0,0,0|2,0,0]=4 17082 B13R1.669 Nc1cc(ncc1F)SCCCF 62a_100000126464_100011934791 [0,2,0,0,0,0|2,0,0]=4 17083 B13R1.669 Nc1cc(ncc1F)SCCCF 62a_100011934791_100000126464 [0,2,0,0,0,0|2,0,0]=4 17084 B13R1.669 Nc1cc(ncc1F)SCCCO 62a_100000126464_100011215043 [0,2,0,0,0,0|2,0,0]=4 17085 B13R1.669 Nc1cc(ncc1F)SCCCO 62a_100011215043_100000126464 [0,2,0,0,0,0|2,0,0]=4 17086 B13R1.669 Nc1cc(ncc1O)SCCCF 62a_100009819941_100011934791 [0,2,0,0,0,0|2,0,0]=4 17087 B13R1.669 Nc1cc(ncc1O)SCCCF 62a_100011934791_100009819941 [0,2,0,0,0,0|2,0,0]=4 17088 B13R1.669 Nc1cc(ncc1O)SCCCO 62a_100009819941_100011215043 [0,2,0,0,0,0|2,0,0]=4 17089 B13R1.669 Nc1cc(ncc1O)SCCCO 62a_100011215043_100009819941 [0,2,0,0,0,0|2,0,0]=4 17090 B13R1.669 Nc1ccc(nc1Cl)SCCCF 62a_100011934791_200010233646 [0,2,0,0,0,0|2,0,0]=4 17091 B13R1.669 Nc1ccc(nc1Cl)SCCCF 62a_200010233646_100011934791 [0,2,0,0,0,0|2,0,0]=4 17092 B13R1.669 Nc1ccc(nc1Cl)SCCCO 62a_100011215043_200010233646 [0,2,0,0,0,0|2,0,0]=4 17093 B13R1.669 Nc1ccc(nc1Cl)SCCCO 62a_200010233646_100011215043 [0,2,0,0,0,0|2,0,0]=4 17094 B13R1.669 Nc1ccc(nc1F)SCCCF 62a_100009856439_100011934791 [0,2,0,0,0,0|2,0,0]=4 17095 B13R1.669 Nc1ccc(nc1F)SCCCF 62a_100011934791_100009856439 [0,2,0,0,0,0|2,0,0]=4 17096 B13R1.669 Nc1ccc(nc1F)SCCCO 62a_100009856439_100011215043 [0,2,0,0,0,0|2,0,0]=4 17097 B13R1.669 Nc1ccc(nc1F)SCCCO 62a_100011215043_100009856439 [0,2,0,0,0,0|2,0,0]=4 17098 B13R1.669 Nc1ccc(nc1N)SCCCF 62a_100000747239_100011934791 [0,2,0,0,0,0|2,0,0]=4 17099 B13R1.669 Nc1ccc(nc1N)SCCCO 62a_100000747239_100011215043 [0,2,0,0,0,0|2,0,0]=4 17100 B13R1.669 Nc1ccc(nc1O)SCCCF 62a_100000718904_100011934791 [0,2,0,0,0,0|2,0,0]=4 17101 B13R1.669 Nc1ccc(nc1O)SCCCO 62a_100000718904_100011215043 [0,2,0,0,0,0|2,0,0]=4 17102 B13R1.669 Nc1cnc(cc1N)SCCCF 62a_100000067514_100011934791 [0,2,0,0,0,0|2,0,0]=4 17103 B13R1.669 Nc1cnc(cc1N)SCCCF 62a_100011934791_100000067514 [0,2,0,0,0,0|2,0,0]=4 17104 B13R1.669 Nc1cnc(cc1N)SCCCO 62a_100000067514_100011215043 [0,2,0,0,0,0|2,0,0]=4 17105 B13R1.669 Nc1cnc(cc1N)SCCCO 62a_100011215043_100000067514 [0,2,0,0,0,0|2,0,0]=4 17106 B13R1.669 Nc1nc(ccc1F)SCCCF 62a_100011934791_100016091773 [0,2,0,0,0,0|2,0,0]=4 17107 B13R1.669 Nc1nc(ccc1F)SCCCF 62a_100016091773_100011934791 [0,2,0,0,0,0|2,0,0]=4 17108 B13R1.669 Nc1nc(ccc1F)SCCCO 62a_100011215043_100016091773 [0,2,0,0,0,0|2,0,0]=4 17109 B13R1.669 Nc1nc(ccc1F)SCCCO 62a_100016091773_100011215043 [0,2,0,0,0,0|2,0,0]=4 17110 B13R1.669 Nc1nc(ccc1O)SCCCF 62a_100000685527_100011934791 [0,2,0,0,0,0|2,0,0]=4 17111 B13R1.669 Nc1nc(ccc1O)SCCCF 62a_100011934791_100000685527 [0,2,0,0,0,0|2,0,0]=4 17112 B13R1.669 Nc1nc(ccc1O)SCCCO 62a_100000685527_100011215043 [0,2,0,0,0,0|2,0,0]=4 17113 B13R1.669 Nc1nc(ccc1O)SCCCO 62a_100011215043_100000685527 [0,2,0,0,0,0|2,0,0]=4 17114 B13R1.669 OCCCNc1ccc(c(n1)F)Br 27a_100000182051_100010134343 [0,2,0,0,0,0|2,0,0]=4 17115 B13R1.669 OCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000230001 [0,2,0,0,0,0|2,0,0]=4 17116 B13R1.669 OCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000230001 [0,2,0,0,0,0|2,0,0]=4 17117 B13R1.669 OCCCOc1ccc(c(n1)F)Br 34a_100009879308_100000230001 [0,2,0,0,0,0|2,0,0]=4 17118 B13R1.669 OCCCSc1cc(c(cn1)F)O 62a_100009854642_100011215043 [0,2,0,0,0,0|2,0,0]=4 17119 B13R1.669 OCCCSc1cc(c(cn1)F)O 62a_100011215043_100009854642 [0,2,0,0,0,0|2,0,0]=4 17120 B13R1.669 OCCCSc1ccc(c(n1)Br)O 62a_100000725334_100011215043 [0,2,0,0,0,0|2,0,0]=4 17121 B13R1.669 OCCCSc1ccc(c(n1)Br)O 62a_100011215043_100000725334 [0,2,0,0,0,0|2,0,0]=4 17122 B13R1.669 OCCCSc1ccc(c(n1)Cl)O 62a_100011215043_100000721234 [0,2,0,0,0,0|2,0,0]=4 17123 B13R1.669 OCCCSc1ccc(c(n1)F)Br 62a_100010134343_100011215043 [0,2,0,0,0,0|2,0,0]=4 17124 B13R1.669 OCCCSc1ccc(c(n1)F)Br 62a_100011215043_100010134343 [0,2,0,0,0,0|2,0,0]=4 17125 B13R1.669 OCCCSc1ccc(c(n1)F)O 62a_100009819667_100011215043 [0,2,0,0,0,0|2,0,0]=4 17126 B13R1.669 OCCCSc1ccc(c(n1)F)O 62a_100011215043_100009819667 [0,2,0,0,0,0|2,0,0]=4 17127 B13R1.669 OCCCSc1ccc(c(n1)O)F 62a_100011215043_100010729010 [0,2,0,0,0,0|2,0,0]=4 17128 B13R1.669 OCCNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100000211926 [0,2,0,0,0,0|2,0,0]=4 17129 B13R1.669 OCCNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100000211926 [0,2,0,0,0,0|2,0,0]=4 17130 B13R1.669 OCCOCc1ccc(c(n1)Cl)Br 34a_100010065236_100000211926 [0,2,0,0,0,0|2,0,0]=4 17131 B13R1.669 Oc1cc(ncc1F)SCCCF 62a_100009854642_100011934791 [0,2,0,0,0,0|2,0,0]=4 17132 B13R1.669 Oc1cc(ncc1F)SCCCF 62a_100011934791_100009854642 [0,2,0,0,0,0|2,0,0]=4 17133 B13R1.669 Oc1ccc(nc1Br)SCCCF 62a_100000725334_100011934791 [0,2,0,0,0,0|2,0,0]=4 17134 B13R1.669 Oc1ccc(nc1Br)SCCCF 62a_100011934791_100000725334 [0,2,0,0,0,0|2,0,0]=4 17135 B13R1.669 Oc1ccc(nc1Cl)SCCCF 62a_100011934791_100000721234 [0,2,0,0,0,0|2,0,0]=4 17136 B13R1.669 Oc1ccc(nc1F)SCCCF 62a_100009819667_100011934791 [0,2,0,0,0,0|2,0,0]=4 17137 B13R1.669 Oc1ccc(nc1F)SCCCF 62a_100011934791_100009819667 [0,2,0,0,0,0|2,0,0]=4 17138 B13R1.669 Oc1nc(ccc1F)SCCCF 62a_100011934791_100010729010 [0,2,0,0,0,0|2,0,0]=4 17139 B13R1.6 BrCCCOCc1cc(ccn1)Br 34a_100011217188_100010173614 [0,2,0,0,0,0|1,0,0]=3 17140 B13R1.6 BrCCCOCc1cccc(c1)Br 34a_100011217188_100000698116 [0,2,0,0,0,0|2,0,0]=4 17141 B13R1.6 BrCCCOCc1cccc(c1)I 34a_100011217188_100011218688 [0,2,0,0,0,0|2,0,0]=4 17142 B13R1.6 BrCCCOCc1cccc(n1)Br 34a_100011217188_100009889011 [0,2,0,0,0,0|1,0,0]=3 17143 B13R1.6 BrCCOCCc1cccc(c1)Br 34a_100000211926_100011740638 [0,2,0,0,0,0|2,0,0]=4 17144 B13R1.6 C#CCCCNc1cc(ccn1)F 27a_100000718082_100000764206 [0,2,0,0,0,0|0,0,2]=4 17145 B13R1.6 C#CCCCNc1cccc(n1)F 27a_100000718082_100009815982 [0,2,0,0,0,0|0,0,2]=4 17146 B13R1.6 C#CCCCOc1cccc(n1)F 34a_100011432558_100000695029 [0,2,0,0,0,0|0,0,2]=4 17147 B13R1.6 C#CCCCSc1cc(ccn1)C 62a_100000750283_100011215417 [0,2,0,0,0,0|0,0,2]=4 17148 B13R1.6 C#CCCCSc1cc(ccn1)C 62a_100011215417_100000750283 [0,2,0,0,0,0|0,0,2]=4 17149 B13R1.6 C#CCCCSc1cc(ccn1)Cl 62a_100010167805_100011215417 [0,2,0,0,0,0|0,0,2]=4 17150 B13R1.6 C#CCCCSc1cc(ccn1)Cl 62a_100011215417_100010167805 [0,2,0,0,0,0|0,0,2]=4 17151 B13R1.6 C#CCCCSc1cc(ccn1)F 62a_100000764206_100011215417 [0,2,0,0,0,0|0,0,2]=4 17152 B13R1.6 C#CCCCSc1cc(ccn1)F 62a_100011215417_100000764206 [0,2,0,0,0,0|0,0,2]=4 17153 B13R1.6 C#CCCCSc1cc(ccn1)N 62a_100009814236_100011215417 [0,2,0,0,0,0|0,0,2]=4 17154 B13R1.6 C#CCCCSc1cc(ccn1)N 62a_100011215417_100009814236 [0,2,0,0,0,0|0,0,2]=4 17155 B13R1.6 C#CCCCSc1cc(ccn1)O 62a_100011215417_100000762945 [0,2,0,0,0,0|0,0,2]=4 17156 B13R1.6 C#CCCCSc1cccc(n1)Br 62a_100000684672_100011215417 [0,2,0,0,0,0|0,0,2]=4 17157 B13R1.6 C#CCCCSc1cccc(n1)Br 62a_100011215417_100000684672 [0,2,0,0,0,0|0,0,2]=4 17158 B13R1.6 C#CCCCSc1cccc(n1)C 62a_100000742759_100011215417 [0,2,0,0,0,0|0,0,2]=4 17159 B13R1.6 C#CCCCSc1cccc(n1)C 62a_100011215417_100000742759 [0,2,0,0,0,0|0,0,2]=4 17160 B13R1.6 C#CCCCSc1cccc(n1)Cl 62a_100000051397_100011215417 [0,2,0,0,0,0|0,0,2]=4 17161 B13R1.6 C#CCCCSc1cccc(n1)Cl 62a_100011215417_100000051397 [0,2,0,0,0,0|0,0,2]=4 17162 B13R1.6 C#CCCCSc1cccc(n1)F 62a_100009815982_100011215417 [0,2,0,0,0,0|0,0,2]=4 17163 B13R1.6 C#CCCCSc1cccc(n1)F 62a_100011215417_100009815982 [0,2,0,0,0,0|0,0,2]=4 17164 B13R1.6 C#CCCCSc1cccc(n1)N 62a_100000740741_100011215417 [0,2,0,0,0,0|0,0,2]=4 17165 B13R1.6 C#CCCCSc1cccc(n1)N 62a_100011215417_100000740741 [0,2,0,0,0,0|0,0,2]=4 17166 B13R1.6 C#CCCNCc1cc(ccn1)Br 34a_100000755551_100010173614 [0,2,0,0,0,0|0,0,2]=4 17167 B13R1.6 C#CCCNCc1cc(ccn1)C 34a_100000755551_100000718516 [0,2,0,0,0,0|0,0,2]=4 17168 B13R1.6 C#CCCNCc1cc(ccn1)Cl 34a_100000755551_100016988179 [0,2,0,0,0,0|0,0,2]=4 17169 B13R1.6 C#CCCNCc1cccc(n1)Br 2230a_100016987751_100000688953 [0,2,0,0,0,0|0,0,2]=4 17170 B13R1.6 C#CCCNCc1cccc(n1)Br 34a_100000755551_100009889011 [0,2,0,0,0,0|0,0,2]=4 17171 B13R1.6 C#CCCNCc1cccc(n1)C 34a_100000701342_100000688953 [0,2,0,0,0,0|0,0,2]=4 17172 B13R1.6 C#CCCNCc1cccc(n1)C 34a_100000755551_100000757606 [0,2,0,0,0,0|0,0,2]=4 17173 B13R1.6 C#CCCNCc1cccc(n1)Cl 2230a_100016990191_100000688953 [0,2,0,0,0,0|0,0,2]=4 17174 B13R1.6 C#CCCNCc1cccc(n1)Cl 34a_100000755551_100000086093 [0,2,0,0,0,0|0,0,2]=4 17175 B13R1.6 C#CCCNCc1cccc(n1)F 2230a_100015188798_100000688953 [0,2,0,0,0,0|0,0,2]=4 17176 B13R1.6 C#CCCNCc1cccc(n1)F 34a_100000755551_100009819644 [0,2,0,0,0,0|0,0,2]=4 17177 B13R1.6 C#CCCNCc1cccc(n1)F 34a_100015188798_100000688953 [0,2,0,0,0,0|0,0,2]=4 17178 B13R1.6 C#CCCOCc1cc(ccn1)Br 34a_100011215631_100010173614 [0,2,0,0,0,0|0,0,2]=4 17179 B13R1.6 C#CCCOCc1cc(ccn1)C 34a_100011215631_100000718516 [0,2,0,0,0,0|0,0,2]=4 17180 B13R1.6 C#CCCOCc1cc(ccn1)C 34a_100011998357_100000688953 [0,2,0,0,0,0|0,0,2]=4 17181 B13R1.6 C#CCCOCc1cc(ccn1)Cl 34a_100000748867_100000688953 [0,2,0,0,0,0|0,0,2]=4 17182 B13R1.6 C#CCCOCc1cc(ccn1)Cl 34a_100011215631_100016988179 [0,2,0,0,0,0|0,0,2]=4 17183 B13R1.6 C#CCCOCc1cc(ccn1)N 34a_100000692640_100000688953 [0,2,0,0,0,0|0,0,2]=4 17184 B13R1.6 C#CCCOCc1cccc(n1)Br 34a_100000694195_100000688953 [0,2,0,0,0,0|0,0,2]=4 17185 B13R1.6 C#CCCOCc1cccc(n1)Br 34a_100011215631_100009889011 [0,2,0,0,0,0|0,0,2]=4 17186 B13R1.6 C#CCCOCc1cccc(n1)C 34a_100000690600_100000688953 [0,2,0,0,0,0|0,0,2]=4 17187 B13R1.6 C#CCCOCc1cccc(n1)C 34a_100011215631_100000757606 [0,2,0,0,0,0|0,0,2]=4 17188 B13R1.6 C#CCCOCc1cccc(n1)Cl 34a_100011215631_100000086093 [0,2,0,0,0,0|0,0,2]=4 17189 B13R1.6 C#CCCOCc1cccc(n1)Cl 34a_100011998359_100000688953 [0,2,0,0,0,0|0,0,2]=4 17190 B13R1.6 C#CCCOCc1cccc(n1)F 34a_100000086748_100000688953 [0,2,0,0,0,0|0,0,2]=4 17191 B13R1.6 C#CCCOCc1cccc(n1)F 34a_100011215631_100009819644 [0,2,0,0,0,0|0,0,2]=4 17192 B13R1.6 C#CCCSCc1cc(ccn1)Br 62a_100000688953_100010173614 [0,2,0,0,0,0|0,0,2]=4 17193 B13R1.6 C#CCCSCc1cc(ccn1)Br 62a_100010173614_100000688953 [0,2,0,0,0,0|0,0,2]=4 17194 B13R1.6 C#CCCSCc1cc(ccn1)C 62a_100000688953_100000718516 [0,2,0,0,0,0|0,0,2]=4 17195 B13R1.6 C#CCCSCc1cc(ccn1)C 62a_100000718516_100000688953 [0,2,0,0,0,0|0,0,2]=4 17196 B13R1.6 C#CCCSCc1cc(ccn1)Cl 62a_100000688953_100016988179 [0,2,0,0,0,0|0,0,2]=4 17197 B13R1.6 C#CCCSCc1cc(ccn1)Cl 62a_100016988179_100000688953 [0,2,0,0,0,0|0,0,2]=4 17198 B13R1.6 C#CCCSCc1cccc(n1)Br 62a_100000688953_100009889011 [0,2,0,0,0,0|0,0,2]=4 17199 B13R1.6 C#CCCSCc1cccc(n1)Br 62a_100009889011_100000688953 [0,2,0,0,0,0|0,0,2]=4 17200 B13R1.6 C#CCCSCc1cccc(n1)C 62a_100000688953_100000757606 [0,2,0,0,0,0|0,0,2]=4 17201 B13R1.6 C#CCCSCc1cccc(n1)C 62a_100000757606_100000688953 [0,2,0,0,0,0|0,0,2]=4 17202 B13R1.6 C#CCCSCc1cccc(n1)Cl 62a_100000086093_100000688953 [0,2,0,0,0,0|0,0,2]=4 17203 B13R1.6 C#CCCSCc1cccc(n1)Cl 62a_100000688953_100000086093 [0,2,0,0,0,0|0,0,2]=4 17204 B13R1.6 C#CCCSCc1cccc(n1)F 62a_100000688953_100009819644 [0,2,0,0,0,0|0,0,2]=4 17205 B13R1.6 C#CCCSCc1cccc(n1)F 62a_100009819644_100000688953 [0,2,0,0,0,0|0,0,2]=4 17206 B13R1.6 C#CCNCCc1cccc(n1)C 2230a_100011824523_100000038162 [0,2,0,0,0,0|0,0,2]=4 17207 B13R1.6 C#CCNCCc1cccc(n1)C 34a_100011824523_100000184674 [0,2,0,0,0,0|0,0,2]=4 17208 B13R1.6 C#CCOCCc1cccc(n1)Br 34a_100010221043_100000184674 [0,2,0,0,0,0|0,0,2]=4 17209 B13R1.6 C#CCOCCc1cccc(n1)Br 7a_100010221043_100000038162 [0,2,0,0,0,0|0,0,2]=4 17210 B13R1.6 C/C=C/CNCc1cccc(n1)C 34a_100000701342_100102629194 [0,2,0,0,0,0|0,0,2]=4 17211 B13R1.6 C/C=C/CNCc1cccc(n1)F 34a_100015188798_100102629194 [0,2,0,0,0,0|0,0,2]=4 17212 B13R1.6 C/C=C/COCc1cc(ccn1)Br 34a_100016270725_100010173614 [0,2,0,0,0,0|0,0,2]=4 17213 B13R1.6 C/C=C/COCc1cc(ccn1)C 34a_100011998357_100102629194 [0,2,0,0,0,0|0,0,2]=4 17214 B13R1.6 C/C=C/COCc1cc(ccn1)C 34a_100016270725_100000718516 [0,2,0,0,0,0|0,0,2]=4 17215 B13R1.6 C/C=C/COCc1cc(ccn1)Cl 34a_100000748867_100102629194 [0,2,0,0,0,0|0,0,2]=4 17216 B13R1.6 C/C=C/COCc1cc(ccn1)Cl 34a_100016270725_100016988179 [0,2,0,0,0,0|0,0,2]=4 17217 B13R1.6 C/C=C/COCc1cc(ccn1)N 34a_100000692640_100102629194 [0,2,0,0,0,0|0,0,2]=4 17218 B13R1.6 C/C=C/COCc1cccc(n1)Br 34a_100000694195_100102629194 [0,2,0,0,0,0|0,0,2]=4 17219 B13R1.6 C/C=C/COCc1cccc(n1)Br 34a_100016270725_100009889011 [0,2,0,0,0,0|0,0,2]=4 17220 B13R1.6 C/C=C/COCc1cccc(n1)C 34a_100000690600_100102629194 [0,2,0,0,0,0|0,0,2]=4 17221 B13R1.6 C/C=C/COCc1cccc(n1)C 34a_100016270725_100000757606 [0,2,0,0,0,0|0,0,2]=4 17222 B13R1.6 C/C=C/COCc1cccc(n1)Cl 34a_100011998359_100102629194 [0,2,0,0,0,0|0,0,2]=4 17223 B13R1.6 C/C=C/COCc1cccc(n1)Cl 34a_100016270725_100000086093 [0,2,0,0,0,0|0,0,2]=4 17224 B13R1.6 C/C=C/COCc1cccc(n1)F 34a_100000086748_100102629194 [0,2,0,0,0,0|0,0,2]=4 17225 B13R1.6 C/C=C/COCc1cccc(n1)F 34a_100016270725_100009819644 [0,2,0,0,0,0|0,0,2]=4 17226 B13R1.6 C/C=C/CSCc1cc(ccn1)Br 62a_100010173614_100102629194 [0,2,0,0,0,0|0,0,2]=4 17227 B13R1.6 C/C=C/CSCc1cc(ccn1)Br 62a_100102629194_100010173614 [0,2,0,0,0,0|0,0,2]=4 17228 B13R1.6 C/C=C/CSCc1cc(ccn1)C 62a_100000718516_100102629194 [0,2,0,0,0,0|0,0,2]=4 17229 B13R1.6 C/C=C/CSCc1cc(ccn1)C 62a_100102629194_100000718516 [0,2,0,0,0,0|0,0,2]=4 17230 B13R1.6 C/C=C/CSCc1cc(ccn1)Cl 62a_100016988179_100102629194 [0,2,0,0,0,0|0,0,2]=4 17231 B13R1.6 C/C=C/CSCc1cc(ccn1)Cl 62a_100102629194_100016988179 [0,2,0,0,0,0|0,0,2]=4 17232 B13R1.6 C/C=C/CSCc1cccc(n1)Br 62a_100009889011_100102629194 [0,2,0,0,0,0|0,0,2]=4 17233 B13R1.6 C/C=C/CSCc1cccc(n1)Br 62a_100102629194_100009889011 [0,2,0,0,0,0|0,0,2]=4 17234 B13R1.6 C/C=C/CSCc1cccc(n1)C 62a_100000757606_100102629194 [0,2,0,0,0,0|0,0,2]=4 17235 B13R1.6 C/C=C/CSCc1cccc(n1)C 62a_100102629194_100000757606 [0,2,0,0,0,0|0,0,2]=4 17236 B13R1.6 C/C=C/CSCc1cccc(n1)Cl 62a_100000086093_100102629194 [0,2,0,0,0,0|0,0,2]=4 17237 B13R1.6 C/C=C/CSCc1cccc(n1)Cl 62a_100102629194_100000086093 [0,2,0,0,0,0|0,0,2]=4 17238 B13R1.6 C/C=C/CSCc1cccc(n1)F 62a_100009819644_100102629194 [0,2,0,0,0,0|0,0,2]=4 17239 B13R1.6 C/C=C/CSCc1cccc(n1)F 62a_100102629194_100009819644 [0,2,0,0,0,0|0,0,2]=4 17240 B13R1.6 C=CCCCNc1cc(ccn1)F 27a_100000700776_100000764206 [0,2,0,0,0,0|0,0,2]=4 17241 B13R1.6 C=CCCCNc1cccc(n1)F 27a_100000700776_100009815982 [0,2,0,0,0,0|0,0,2]=4 17242 B13R1.6 C=CCCCOc1cccc(n1)F 34a_100011432558_100000757094 [0,2,0,0,0,0|0,0,2]=4 17243 B13R1.6 C=CCCCSc1cc(ccn1)C 62a_100000750283_100000757094 [0,2,0,0,0,0|0,0,2]=4 17244 B13R1.6 C=CCCCSc1cc(ccn1)C 62a_100011713584_100000750283 [0,2,0,0,0,0|0,0,2]=4 17245 B13R1.6 C=CCCCSc1cc(ccn1)Cl 62a_100010167805_100000757094 [0,2,0,0,0,0|0,0,2]=4 17246 B13R1.6 C=CCCCSc1cc(ccn1)Cl 62a_100011713584_100010167805 [0,2,0,0,0,0|0,0,2]=4 17247 B13R1.6 C=CCCCSc1cc(ccn1)F 62a_100000764206_100000757094 [0,2,0,0,0,0|0,0,2]=4 17248 B13R1.6 C=CCCCSc1cc(ccn1)F 62a_100011713584_100000764206 [0,2,0,0,0,0|0,0,2]=4 17249 B13R1.6 C=CCCCSc1cc(ccn1)N 62a_100009814236_100000757094 [0,2,0,0,0,0|0,0,2]=4 17250 B13R1.6 C=CCCCSc1cc(ccn1)N 62a_100011713584_100009814236 [0,2,0,0,0,0|0,0,2]=4 17251 B13R1.6 C=CCCCSc1cc(ccn1)O 62a_100011713584_100000762945 [0,2,0,0,0,0|0,0,2]=4 17252 B13R1.6 C=CCCCSc1cccc(n1)Br 62a_100000684672_100000757094 [0,2,0,0,0,0|0,0,2]=4 17253 B13R1.6 C=CCCCSc1cccc(n1)Br 62a_100011713584_100000684672 [0,2,0,0,0,0|0,0,2]=4 17254 B13R1.6 C=CCCCSc1cccc(n1)C 62a_100000742759_100000757094 [0,2,0,0,0,0|0,0,2]=4 17255 B13R1.6 C=CCCCSc1cccc(n1)C 62a_100011713584_100000742759 [0,2,0,0,0,0|0,0,2]=4 17256 B13R1.6 C=CCCCSc1cccc(n1)Cl 62a_100000051397_100000757094 [0,2,0,0,0,0|0,0,2]=4 17257 B13R1.6 C=CCCCSc1cccc(n1)Cl 62a_100011713584_100000051397 [0,2,0,0,0,0|0,0,2]=4 17258 B13R1.6 C=CCCCSc1cccc(n1)F 62a_100009815982_100000757094 [0,2,0,0,0,0|0,0,2]=4 17259 B13R1.6 C=CCCCSc1cccc(n1)F 62a_100011713584_100009815982 [0,2,0,0,0,0|0,0,2]=4 17260 B13R1.6 C=CCCCSc1cccc(n1)N 62a_100000740741_100000757094 [0,2,0,0,0,0|0,0,2]=4 17261 B13R1.6 C=CCCCSc1cccc(n1)N 62a_100011713584_100000740741 [0,2,0,0,0,0|0,0,2]=4 17262 B13R1.6 C=CCCNCc1cc(ccn1)Br 2230a_100015191253_100010173614 [0,2,0,0,0,0|0,0,2]=4 17263 B13R1.6 C=CCCNCc1cc(ccn1)Br 270004a_100015191253_100009818557 [0,2,0,0,0,0|0,0,2]=4 17264 B13R1.6 C=CCCNCc1cc(ccn1)C 207a_100015191253_100011361488 [0,2,0,0,0,0|0,0,2]=4 17265 B13R1.6 C=CCCNCc1cc(ccn1)C 2230a_100015191253_100000718516 [0,2,0,0,0,0|0,0,2]=4 17266 B13R1.6 C=CCCNCc1cc(ccn1)C 270004a_100015191253_100011361488 [0,2,0,0,0,0|0,0,2]=4 17267 B13R1.6 C=CCCNCc1cc(ccn1)Cl 2230a_100015191253_100016988179 [0,2,0,0,0,0|0,0,2]=4 17268 B13R1.6 C=CCCNCc1cc(ccn1)Cl 270004a_100015191253_100011998288 [0,2,0,0,0,0|0,0,2]=4 17269 B13R1.6 C=CCCNCc1cccc(n1)Br 2230a_100015191253_100009889011 [0,2,0,0,0,0|0,0,2]=4 17270 B13R1.6 C=CCCNCc1cccc(n1)Br 2230a_100016987751_100000754431 [0,2,0,0,0,0|0,0,2]=4 17271 B13R1.6 C=CCCNCc1cccc(n1)Br 270004a_100015191253_100000688028 [0,2,0,0,0,0|0,0,2]=4 17272 B13R1.6 C=CCCNCc1cccc(n1)C 207a_100015191253_100011215050 [0,2,0,0,0,0|0,0,2]=4 17273 B13R1.6 C=CCCNCc1cccc(n1)C 2230a_100015191253_100000757606 [0,2,0,0,0,0|0,0,2]=4 17274 B13R1.6 C=CCCNCc1cccc(n1)C 270004a_100015191253_100011215050 [0,2,0,0,0,0|0,0,2]=4 17275 B13R1.6 C=CCCNCc1cccc(n1)C 34a_100000701342_100000754431 [0,2,0,0,0,0|0,0,2]=4 17276 B13R1.6 C=CCCNCc1cccc(n1)Cl 2230a_100015191253_100000086093 [0,2,0,0,0,0|0,0,2]=4 17277 B13R1.6 C=CCCNCc1cccc(n1)Cl 2230a_100016990191_100000754431 [0,2,0,0,0,0|0,0,2]=4 17278 B13R1.6 C=CCCNCc1cccc(n1)Cl 270004a_100015191253_100011361687 [0,2,0,0,0,0|0,0,2]=4 17279 B13R1.6 C=CCCNCc1cccc(n1)F 2230a_100015188798_100000754431 [0,2,0,0,0,0|0,0,2]=4 17280 B13R1.6 C=CCCNCc1cccc(n1)F 2230a_100015191253_100009819644 [0,2,0,0,0,0|0,0,2]=4 17281 B13R1.6 C=CCCNCc1cccc(n1)F 270004a_100015191253_100000050434 [0,2,0,0,0,0|0,0,2]=4 17282 B13R1.6 C=CCCNCc1cccc(n1)F 34a_100015188798_100000754431 [0,2,0,0,0,0|0,0,2]=4 17283 B13R1.6 C=CCCOCc1cc(ccn1)Br 34a_100011205117_100010173614 [0,2,0,0,0,0|0,0,2]=4 17284 B13R1.6 C=CCCOCc1cc(ccn1)C 34a_100011205117_100000718516 [0,2,0,0,0,0|0,0,2]=4 17285 B13R1.6 C=CCCOCc1cc(ccn1)C 34a_100011998357_100000754431 [0,2,0,0,0,0|0,0,2]=4 17286 B13R1.6 C=CCCOCc1cc(ccn1)Cl 34a_100000748867_100000754431 [0,2,0,0,0,0|0,0,2]=4 17287 B13R1.6 C=CCCOCc1cc(ccn1)Cl 34a_100011205117_100016988179 [0,2,0,0,0,0|0,0,2]=4 17288 B13R1.6 C=CCCOCc1cc(ccn1)N 34a_100000692640_100000754431 [0,2,0,0,0,0|0,0,2]=4 17289 B13R1.6 C=CCCOCc1cccc(n1)Br 34a_100000694195_100000754431 [0,2,0,0,0,0|0,0,2]=4 17290 B13R1.6 C=CCCOCc1cccc(n1)Br 34a_100011205117_100009889011 [0,2,0,0,0,0|0,0,2]=4 17291 B13R1.6 C=CCCOCc1cccc(n1)C 34a_100000690600_100000754431 [0,2,0,0,0,0|0,0,2]=4 17292 B13R1.6 C=CCCOCc1cccc(n1)C 34a_100011205117_100000757606 [0,2,0,0,0,0|0,0,2]=4 17293 B13R1.6 C=CCCOCc1cccc(n1)Cl 34a_100011205117_100000086093 [0,2,0,0,0,0|0,0,2]=4 17294 B13R1.6 C=CCCOCc1cccc(n1)Cl 34a_100011998359_100000754431 [0,2,0,0,0,0|0,0,2]=4 17295 B13R1.6 C=CCCOCc1cccc(n1)F 34a_100000086748_100000754431 [0,2,0,0,0,0|0,0,2]=4 17296 B13R1.6 C=CCCOCc1cccc(n1)F 34a_100011205117_100009819644 [0,2,0,0,0,0|0,0,2]=4 17297 B13R1.6 C=CCCSCc1cc(ccn1)Br 62a_100000754431_100010173614 [0,2,0,0,0,0|0,0,2]=4 17298 B13R1.6 C=CCCSCc1cc(ccn1)Br 62a_100010173614_100000754431 [0,2,0,0,0,0|0,0,2]=4 17299 B13R1.6 C=CCCSCc1cc(ccn1)C 62a_100000718516_100000754431 [0,2,0,0,0,0|0,0,2]=4 17300 B13R1.6 C=CCCSCc1cc(ccn1)C 62a_100000754431_100000718516 [0,2,0,0,0,0|0,0,2]=4 17301 B13R1.6 C=CCCSCc1cc(ccn1)Cl 62a_100000754431_100016988179 [0,2,0,0,0,0|0,0,2]=4 17302 B13R1.6 C=CCCSCc1cc(ccn1)Cl 62a_100016988179_100000754431 [0,2,0,0,0,0|0,0,2]=4 17303 B13R1.6 C=CCCSCc1cccc(n1)Br 62a_100000754431_100009889011 [0,2,0,0,0,0|0,0,2]=4 17304 B13R1.6 C=CCCSCc1cccc(n1)Br 62a_100009889011_100000754431 [0,2,0,0,0,0|0,0,2]=4 17305 B13R1.6 C=CCCSCc1cccc(n1)C 62a_100000754431_100000757606 [0,2,0,0,0,0|0,0,2]=4 17306 B13R1.6 C=CCCSCc1cccc(n1)C 62a_100000757606_100000754431 [0,2,0,0,0,0|0,0,2]=4 17307 B13R1.6 C=CCCSCc1cccc(n1)Cl 62a_100000086093_100000754431 [0,2,0,0,0,0|0,0,2]=4 17308 B13R1.6 C=CCCSCc1cccc(n1)Cl 62a_100000754431_100000086093 [0,2,0,0,0,0|0,0,2]=4 17309 B13R1.6 C=CCCSCc1cccc(n1)F 62a_100000754431_100009819644 [0,2,0,0,0,0|0,0,2]=4 17310 B13R1.6 C=CCCSCc1cccc(n1)F 62a_100009819644_100000754431 [0,2,0,0,0,0|0,0,2]=4 17311 B13R1.6 C=CCNCCc1cccc(n1)C 2230a_100011824523_100000210623 [0,2,0,0,0,0|0,0,2]=4 17312 B13R1.6 C=CCNCCc1cccc(n1)C 34a_100011824523_100015514636 [0,2,0,0,0,0|0,0,2]=4 17313 B13R1.6 C=CCOCCc1cccc(n1)Br 34a_100010221043_100015514636 [0,2,0,0,0,0|0,0,2]=4 17314 B13R1.6 C=CCOCCc1cccc(n1)Br 7a_100010221043_100015514636 [0,2,0,0,0,0|0,0,2]=4 17315 B13R1.6 CC#CCNCc1cc(ccn1)Br 2230a_100000685387_100010173614 [0,2,0,0,0,0|0,0,2]=4 17316 B13R1.6 CC#CCNCc1cc(ccn1)Br 34a_100000685387_100010173614 [0,2,0,0,0,0|0,0,2]=4 17317 B13R1.6 CC#CCNCc1cc(ccn1)C 2230a_100000685387_100000718516 [0,2,0,0,0,0|0,0,2]=4 17318 B13R1.6 CC#CCNCc1cc(ccn1)C 34a_100000685387_100000718516 [0,2,0,0,0,0|0,0,2]=4 17319 B13R1.6 CC#CCNCc1cc(ccn1)Cl 2230a_100000685387_100016988179 [0,2,0,0,0,0|0,0,2]=4 17320 B13R1.6 CC#CCNCc1cc(ccn1)Cl 34a_100000685387_100016988179 [0,2,0,0,0,0|0,0,2]=4 17321 B13R1.6 CC#CCNCc1cccc(n1)Br 2230a_100000685387_100009889011 [0,2,0,0,0,0|0,0,2]=4 17322 B13R1.6 CC#CCNCc1cccc(n1)Br 2230a_100016987751_100000748600 [0,2,0,0,0,0|0,0,2]=4 17323 B13R1.6 CC#CCNCc1cccc(n1)Br 34a_100000685387_100009889011 [0,2,0,0,0,0|0,0,2]=4 17324 B13R1.6 CC#CCNCc1cccc(n1)C 2230a_100000685387_100000757606 [0,2,0,0,0,0|0,0,2]=4 17325 B13R1.6 CC#CCNCc1cccc(n1)C 34a_100000685387_100000757606 [0,2,0,0,0,0|0,0,2]=4 17326 B13R1.6 CC#CCNCc1cccc(n1)C 34a_100000701342_100000748600 [0,2,0,0,0,0|0,0,2]=4 17327 B13R1.6 CC#CCNCc1cccc(n1)Cl 2230a_100000685387_100000086093 [0,2,0,0,0,0|0,0,2]=4 17328 B13R1.6 CC#CCNCc1cccc(n1)Cl 2230a_100016990191_100000748600 [0,2,0,0,0,0|0,0,2]=4 17329 B13R1.6 CC#CCNCc1cccc(n1)Cl 34a_100000685387_100000086093 [0,2,0,0,0,0|0,0,2]=4 17330 B13R1.6 CC#CCNCc1cccc(n1)F 2230a_100000685387_100009819644 [0,2,0,0,0,0|0,0,2]=4 17331 B13R1.6 CC#CCNCc1cccc(n1)F 2230a_100015188798_100000748600 [0,2,0,0,0,0|0,0,2]=4 17332 B13R1.6 CC#CCNCc1cccc(n1)F 34a_100000685387_100009819644 [0,2,0,0,0,0|0,0,2]=4 17333 B13R1.6 CC#CCNCc1cccc(n1)F 34a_100015188798_100000748600 [0,2,0,0,0,0|0,0,2]=4 17334 B13R1.6 CC#CCOCc1cc(ccn1)Br 34a_100000761923_100010173614 [0,2,0,0,0,0|0,0,2]=4 17335 B13R1.6 CC#CCOCc1cc(ccn1)C 34a_100000761923_100000718516 [0,2,0,0,0,0|0,0,2]=4 17336 B13R1.6 CC#CCOCc1cc(ccn1)C 34a_100011998357_100000748600 [0,2,0,0,0,0|0,0,2]=4 17337 B13R1.6 CC#CCOCc1cc(ccn1)Cl 34a_100000748867_100000748600 [0,2,0,0,0,0|0,0,2]=4 17338 B13R1.6 CC#CCOCc1cc(ccn1)Cl 34a_100000761923_100016988179 [0,2,0,0,0,0|0,0,2]=4 17339 B13R1.6 CC#CCOCc1cc(ccn1)N 34a_100000692640_100000748600 [0,2,0,0,0,0|0,0,2]=4 17340 B13R1.6 CC#CCOCc1cccc(n1)Br 34a_100000694195_100000748600 [0,2,0,0,0,0|0,0,2]=4 17341 B13R1.6 CC#CCOCc1cccc(n1)Br 34a_100000761923_100009889011 [0,2,0,0,0,0|0,0,2]=4 17342 B13R1.6 CC#CCOCc1cccc(n1)C 34a_100000690600_100000748600 [0,2,0,0,0,0|0,0,2]=4 17343 B13R1.6 CC#CCOCc1cccc(n1)C 34a_100000761923_100000757606 [0,2,0,0,0,0|0,0,2]=4 17344 B13R1.6 CC#CCOCc1cccc(n1)Cl 34a_100000761923_100000086093 [0,2,0,0,0,0|0,0,2]=4 17345 B13R1.6 CC#CCOCc1cccc(n1)Cl 34a_100011998359_100000748600 [0,2,0,0,0,0|0,0,2]=4 17346 B13R1.6 CC#CCOCc1cccc(n1)F 34a_100000086748_100000748600 [0,2,0,0,0,0|0,0,2]=4 17347 B13R1.6 CC#CCOCc1cccc(n1)F 34a_100000761923_100009819644 [0,2,0,0,0,0|0,0,2]=4 17348 B13R1.6 CC#CCSCc1cc(ccn1)Br 62a_100000748600_100010173614 [0,2,0,0,0,0|0,0,2]=4 17349 B13R1.6 CC#CCSCc1cc(ccn1)Br 62a_100010173614_100000748600 [0,2,0,0,0,0|0,0,2]=4 17350 B13R1.6 CC#CCSCc1cc(ccn1)C 62a_100000718516_100000748600 [0,2,0,0,0,0|0,0,2]=4 17351 B13R1.6 CC#CCSCc1cc(ccn1)C 62a_100000748600_100000718516 [0,2,0,0,0,0|0,0,2]=4 17352 B13R1.6 CC#CCSCc1cc(ccn1)Cl 62a_100000748600_100016988179 [0,2,0,0,0,0|0,0,2]=4 17353 B13R1.6 CC#CCSCc1cc(ccn1)Cl 62a_100016988179_100000748600 [0,2,0,0,0,0|0,0,2]=4 17354 B13R1.6 CC#CCSCc1cccc(n1)Br 62a_100000748600_100009889011 [0,2,0,0,0,0|0,0,2]=4 17355 B13R1.6 CC#CCSCc1cccc(n1)Br 62a_100009889011_100000748600 [0,2,0,0,0,0|0,0,2]=4 17356 B13R1.6 CC#CCSCc1cccc(n1)C 62a_100000748600_100000757606 [0,2,0,0,0,0|0,0,2]=4 17357 B13R1.6 CC#CCSCc1cccc(n1)C 62a_100000757606_100000748600 [0,2,0,0,0,0|0,0,2]=4 17358 B13R1.6 CC#CCSCc1cccc(n1)Cl 62a_100000086093_100000748600 [0,2,0,0,0,0|0,0,2]=4 17359 B13R1.6 CC#CCSCc1cccc(n1)Cl 62a_100000748600_100000086093 [0,2,0,0,0,0|0,0,2]=4 17360 B13R1.6 CC#CCSCc1cccc(n1)F 62a_100000748600_100009819644 [0,2,0,0,0,0|0,0,2]=4 17361 B13R1.6 CC#CCSCc1cccc(n1)F 62a_100009819644_100000748600 [0,2,0,0,0,0|0,0,2]=4 17362 B13R1.6 CC/C=C\COc1cccc(n1)F 34a_100011432558_100103147603 [0,2,0,0,0,0|0,0,2]=4 17363 B13R1.6 CC/C=C\CSc1cc(ccn1)C 62a_100000750283_100103147603 [0,2,0,0,0,0|0,0,2]=4 17364 B13R1.6 CC/C=C\CSc1cc(ccn1)C 62a_100103147603_100000750283 [0,2,0,0,0,0|0,0,2]=4 17365 B13R1.6 CC/C=C\CSc1cc(ccn1)Cl 62a_100010167805_100103147603 [0,2,0,0,0,0|0,0,2]=4 17366 B13R1.6 CC/C=C\CSc1cc(ccn1)Cl 62a_100103147603_100010167805 [0,2,0,0,0,0|0,0,2]=4 17367 B13R1.6 CC/C=C\CSc1cc(ccn1)F 62a_100000764206_100103147603 [0,2,0,0,0,0|0,0,2]=4 17368 B13R1.6 CC/C=C\CSc1cc(ccn1)F 62a_100103147603_100000764206 [0,2,0,0,0,0|0,0,2]=4 17369 B13R1.6 CC/C=C\CSc1cc(ccn1)N 62a_100009814236_100103147603 [0,2,0,0,0,0|0,0,2]=4 17370 B13R1.6 CC/C=C\CSc1cc(ccn1)N 62a_100103147603_100009814236 [0,2,0,0,0,0|0,0,2]=4 17371 B13R1.6 CC/C=C\CSc1cc(ccn1)O 62a_100103147603_100000762945 [0,2,0,0,0,0|0,0,2]=4 17372 B13R1.6 CC/C=C\CSc1cccc(n1)Br 62a_100000684672_100103147603 [0,2,0,0,0,0|0,0,2]=4 17373 B13R1.6 CC/C=C\CSc1cccc(n1)Br 62a_100103147603_100000684672 [0,2,0,0,0,0|0,0,2]=4 17374 B13R1.6 CC/C=C\CSc1cccc(n1)C 62a_100000742759_100103147603 [0,2,0,0,0,0|0,0,2]=4 17375 B13R1.6 CC/C=C\CSc1cccc(n1)C 62a_100103147603_100000742759 [0,2,0,0,0,0|0,0,2]=4 17376 B13R1.6 CC/C=C\CSc1cccc(n1)Cl 62a_100000051397_100103147603 [0,2,0,0,0,0|0,0,2]=4 17377 B13R1.6 CC/C=C\CSc1cccc(n1)Cl 62a_100103147603_100000051397 [0,2,0,0,0,0|0,0,2]=4 17378 B13R1.6 CC/C=C\CSc1cccc(n1)F 62a_100009815982_100103147603 [0,2,0,0,0,0|0,0,2]=4 17379 B13R1.6 CC/C=C\CSc1cccc(n1)F 62a_100103147603_100009815982 [0,2,0,0,0,0|0,0,2]=4 17380 B13R1.6 CC/C=C\CSc1cccc(n1)N 62a_100000740741_100103147603 [0,2,0,0,0,0|0,0,2]=4 17381 B13R1.6 CC/C=C\CSc1cccc(n1)N 62a_100103147603_100000740741 [0,2,0,0,0,0|0,0,2]=4 17382 B13R1.6 CC=CCNCc1cccc(n1)Br 2230a_100016987751_100000070051 [0,2,0,0,0,0|0,0,2]=4 17383 B13R1.6 CC=CCNCc1cccc(n1)C 34a_100000701342_100000070051 [0,2,0,0,0,0|0,0,2]=4 17384 B13R1.6 CC=CCNCc1cccc(n1)Cl 2230a_100016990191_100000070051 [0,2,0,0,0,0|0,0,2]=4 17385 B13R1.6 CC=CCNCc1cccc(n1)F 2230a_100015188798_100000070051 [0,2,0,0,0,0|0,0,2]=4 17386 B13R1.6 CC=CCNCc1cccc(n1)F 34a_100015188798_100000070051 [0,2,0,0,0,0|0,0,2]=4 17387 B13R1.6 CC=CCOCc1cc(ccn1)C 34a_100011998357_100000070051 [0,2,0,0,0,0|0,0,2]=4 17388 B13R1.6 CC=CCOCc1cc(ccn1)Cl 34a_100000748867_100000070051 [0,2,0,0,0,0|0,0,2]=4 17389 B13R1.6 CC=CCOCc1cc(ccn1)N 34a_100000692640_100000070051 [0,2,0,0,0,0|0,0,2]=4 17390 B13R1.6 CC=CCOCc1cccc(n1)Br 34a_100000694195_100000070051 [0,2,0,0,0,0|0,0,2]=4 17391 B13R1.6 CC=CCOCc1cccc(n1)C 34a_100000690600_100000070051 [0,2,0,0,0,0|0,0,2]=4 17392 B13R1.6 CC=CCOCc1cccc(n1)Cl 34a_100011998359_100000070051 [0,2,0,0,0,0|0,0,2]=4 17393 B13R1.6 CC=CCOCc1cccc(n1)F 34a_100000086748_100000070051 [0,2,0,0,0,0|0,0,2]=4 17394 B13R1.6 CC=CCSCc1cc(ccn1)Br 62a_100000070051_100010173614 [0,2,0,0,0,0|0,0,2]=4 17395 B13R1.6 CC=CCSCc1cc(ccn1)Br 62a_100010173614_100000070051 [0,2,0,0,0,0|0,0,2]=4 17396 B13R1.6 CC=CCSCc1cc(ccn1)C 62a_100000070051_100000718516 [0,2,0,0,0,0|0,0,2]=4 17397 B13R1.6 CC=CCSCc1cc(ccn1)C 62a_100000718516_100000070051 [0,2,0,0,0,0|0,0,2]=4 17398 B13R1.6 CC=CCSCc1cc(ccn1)Cl 62a_100000070051_100016988179 [0,2,0,0,0,0|0,0,2]=4 17399 B13R1.6 CC=CCSCc1cc(ccn1)Cl 62a_100016988179_100000070051 [0,2,0,0,0,0|0,0,2]=4 17400 B13R1.6 CC=CCSCc1cccc(n1)Br 62a_100000070051_100009889011 [0,2,0,0,0,0|0,0,2]=4 17401 B13R1.6 CC=CCSCc1cccc(n1)Br 62a_100009889011_100000070051 [0,2,0,0,0,0|0,0,2]=4 17402 B13R1.6 CC=CCSCc1cccc(n1)C 62a_100000070051_100000757606 [0,2,0,0,0,0|0,0,2]=4 17403 B13R1.6 CC=CCSCc1cccc(n1)C 62a_100000757606_100000070051 [0,2,0,0,0,0|0,0,2]=4 17404 B13R1.6 CC=CCSCc1cccc(n1)Cl 62a_100000070051_100000086093 [0,2,0,0,0,0|0,0,2]=4 17405 B13R1.6 CC=CCSCc1cccc(n1)Cl 62a_100000086093_100000070051 [0,2,0,0,0,0|0,0,2]=4 17406 B13R1.6 CC=CCSCc1cccc(n1)F 62a_100000070051_100009819644 [0,2,0,0,0,0|0,0,2]=4 17407 B13R1.6 CC=CCSCc1cccc(n1)F 62a_100009819644_100000070051 [0,2,0,0,0,0|0,0,2]=4 17408 B13R1.6 CCC#CCOc1cccc(n1)F 34a_100011432558_100009813939 [0,2,0,0,0,0|0,0,2]=4 17409 B13R1.6 CCC#CCSc1cc(ccn1)C 62a_100000750283_100009813939 [0,2,0,0,0,0|0,0,2]=4 17410 B13R1.6 CCC#CCSc1cc(ccn1)C 62a_100009813939_100000750283 [0,2,0,0,0,0|0,0,2]=4 17411 B13R1.6 CCC#CCSc1cc(ccn1)Cl 62a_100009813939_100010167805 [0,2,0,0,0,0|0,0,2]=4 17412 B13R1.6 CCC#CCSc1cc(ccn1)Cl 62a_100010167805_100009813939 [0,2,0,0,0,0|0,0,2]=4 17413 B13R1.6 CCC#CCSc1cc(ccn1)F 62a_100000764206_100009813939 [0,2,0,0,0,0|0,0,2]=4 17414 B13R1.6 CCC#CCSc1cc(ccn1)F 62a_100009813939_100000764206 [0,2,0,0,0,0|0,0,2]=4 17415 B13R1.6 CCC#CCSc1cc(ccn1)N 62a_100009813939_100009814236 [0,2,0,0,0,0|0,0,2]=4 17416 B13R1.6 CCC#CCSc1cc(ccn1)N 62a_100009814236_100009813939 [0,2,0,0,0,0|0,0,2]=4 17417 B13R1.6 CCC#CCSc1cc(ccn1)O 62a_100009813939_100000762945 [0,2,0,0,0,0|0,0,2]=4 17418 B13R1.6 CCC#CCSc1cccc(n1)Br 62a_100000684672_100009813939 [0,2,0,0,0,0|0,0,2]=4 17419 B13R1.6 CCC#CCSc1cccc(n1)Br 62a_100009813939_100000684672 [0,2,0,0,0,0|0,0,2]=4 17420 B13R1.6 CCC#CCSc1cccc(n1)C 62a_100000742759_100009813939 [0,2,0,0,0,0|0,0,2]=4 17421 B13R1.6 CCC#CCSc1cccc(n1)C 62a_100009813939_100000742759 [0,2,0,0,0,0|0,0,2]=4 17422 B13R1.6 CCC#CCSc1cccc(n1)Cl 62a_100000051397_100009813939 [0,2,0,0,0,0|0,0,2]=4 17423 B13R1.6 CCC#CCSc1cccc(n1)Cl 62a_100009813939_100000051397 [0,2,0,0,0,0|0,0,2]=4 17424 B13R1.6 CCC#CCSc1cccc(n1)F 62a_100009813939_100009815982 [0,2,0,0,0,0|0,0,2]=4 17425 B13R1.6 CCC#CCSc1cccc(n1)F 62a_100009815982_100009813939 [0,2,0,0,0,0|0,0,2]=4 17426 B13R1.6 CCC#CCSc1cccc(n1)N 62a_100000740741_100009813939 [0,2,0,0,0,0|0,0,2]=4 17427 B13R1.6 CCC#CCSc1cccc(n1)N 62a_100009813939_100000740741 [0,2,0,0,0,0|0,0,2]=4 17428 B13R1.6 CCCC=NNc1cc(ccn1)Br 4a_100000764631_100000185831 [0,2,0,0,0,0|1,0,1]=4 17429 B13R1.6 CCCC=NNc1cc(ccn1)C 4a_100000746014_100000185831 [0,2,0,0,0,0|1,0,1]=4 17430 B13R1.6 CCCC=NNc1cc(ccn1)Cl 4a_100102524961_100000185831 [0,2,0,0,0,0|1,0,1]=4 17431 B13R1.6 CCCC=NNc1cc(ccn1)I 4a_100010221011_100000185831 [0,2,0,0,0,0|1,0,1]=4 17432 B13R1.6 CCCC=NNc1cccc(n1)Br 4a_100009817029_100000185831 [0,2,0,0,0,0|1,0,1]=4 17433 B13R1.6 CCCC=NNc1cccc(n1)C 4a_100011363444_100000185831 [0,2,0,0,0,0|1,0,1]=4 17434 B13R1.6 CCCC=NNc1cccc(n1)Cl 4a_100102524919_100000185831 [0,2,0,0,0,0|1,0,1]=4 17435 B13R1.6 CCCC=NNc1cccc(n1)F 4a_100000075452_100000185831 [0,2,0,0,0,0|1,0,1]=4 17436 B13R1.6 CCCCC=Cc1c[n+](ccn1)[O-] 271570a_100016275911_100009880115 [0,2,0,0,0,0|1,0,1]=4 17437 B13R1.6 CCCCC=Cc1cc(ccn1)C 271570a_100016275911_100000750283 [0,2,0,0,0,0|0,0,1]=3 17438 B13R1.6 CCCCC=Cc1cc(ccn1)Cl 271570a_100016275911_100010167805 [0,2,0,0,0,0|0,0,1]=3 17439 B13R1.6 CCCCC=Cc1cc(ccn1)F 271570a_100016275911_100009817058 [0,2,0,0,0,0|0,0,1]=3 17440 B13R1.6 CCCCC=Cc1cc(ccn1)N 271570a_100016275911_100009814236 [0,2,0,0,0,0|0,0,1]=3 17441 B13R1.6 CCCCC=Cc1cc(ccn1)O 271570a_100016275911_100000762945 [0,2,0,0,0,0|0,0,1]=3 17442 B13R1.6 CCCCC=Cc1cc(cnn1)C 271570a_100016275911_100000070100 [0,2,0,0,0,0|1,0,1]=4 17443 B13R1.6 CCCCC=Cc1cc(cnn1)O 271570a_100016275911_200010734679 [0,2,0,0,0,0|1,0,1]=4 17444 B13R1.6 CCCCC=Cc1cc(ncn1)C 271570a_100016275911_100000744208 [0,2,0,0,0,0|1,0,1]=4 17445 B13R1.6 CCCCC=Cc1cc(ncn1)F 271570a_100016275911_200009880791 [0,2,0,0,0,0|1,0,1]=4 17446 B13R1.6 CCCCC=Cc1cc(ncn1)N 271570a_100016275911_100000701291 [0,2,0,0,0,0|1,0,1]=4 17447 B13R1.6 CCCCC=Cc1cc(ncn1)O 271570a_100016275911_100000765262 [0,2,0,0,0,0|1,0,1]=4 17448 B13R1.6 CCCCC=Cc1cc[nH]c(=O)n1 271570a_100016275911_200000134032 [0,2,0,0,0,0|1,0,1]=4 17449 B13R1.6 CCCCC=Cc1cccc(=O)[nH]1 271570a_100016275911_100000761760 [0,2,0,0,0,0|0,0,2]=4 17450 B13R1.6 CCCCC=Cc1cccc(c1)Br 271570a_100016275911_100000691529 [0,2,0,0,0,0|1,0,1]=4 17451 B13R1.6 CCCCC=Cc1cccc(c1)C 271570a_100016275911_100011215228 [0,2,0,0,0,0|1,0,1]=4 17452 B13R1.6 CCCCC=Cc1cccc(c1)Cl 271570a_100016275911_100000699651 [0,2,0,0,0,0|1,0,1]=4 17453 B13R1.6 CCCCC=Cc1cccc(c1)F 271570a_100016275911_100000685547 [0,2,0,0,0,0|1,0,1]=4 17454 B13R1.6 CCCCC=Cc1cccc(c1)N 271570a_100016275911_100000210019 [0,2,0,0,0,0|1,0,1]=4 17455 B13R1.6 CCCCC=Cc1cccc(c1)O 271570a_100016275911_100000211634 [0,2,0,0,0,0|1,0,1]=4 17456 B13R1.6 CCCCC=Cc1cccc(c1)[S] 271570a_100016275911_114929384022 [0,2,0,0,0,0|1,0,1]=4 17457 B13R1.6 CCCCC=Cc1cccc(n1)Br 271570a_100016275911_100000684672 [0,2,0,0,0,0|0,0,1]=3 17458 B13R1.6 CCCCC=Cc1cccc(n1)C 271570a_100016275911_100000742759 [0,2,0,0,0,0|0,0,1]=3 17459 B13R1.6 CCCCC=Cc1cccc(n1)F 271570a_100016275911_100009815982 [0,2,0,0,0,0|0,0,1]=3 17460 B13R1.6 CCCCC=Cc1cccc(n1)N 271570a_100016275911_100000740741 [0,2,0,0,0,0|0,0,1]=3 17461 B13R1.6 CCCCC=Cc1ccnc(n1)C 271570a_100016275911_100000749937 [0,2,0,0,0,0|1,0,1]=4 17462 B13R1.6 CCCCC=Cc1ccnc(n1)N 271570a_100016275911_100009820717 [0,2,0,0,0,0|1,0,1]=4 17463 B13R1.6 CCCCC=Cc1cncc(n1)C 271570a_100016275911_100009842155 [0,2,0,0,0,0|1,0,1]=4 17464 B13R1.6 CCCCC=Cc1cncc(n1)F 271570a_100016275911_200009863489 [0,2,0,0,0,0|1,0,1]=4 17465 B13R1.6 CCCCC=Cc1cncc(n1)N 271570a_100016275911_100009819714 [0,2,0,0,0,0|1,0,1]=4 17466 B13R1.6 CCCCC=Cc1cncc(n1)O 271570a_100016275911_100011269956 [0,2,0,0,0,0|1,0,1]=4 17467 B13R1.6 CCCCC=Cc1nccc(n1)C 271570a_100016275911_100011243806 [0,2,0,0,0,0|1,0,1]=4 17468 B13R1.6 CCCCC=Cc1nccc(n1)N 271570a_100016275911_100000757536 [0,2,0,0,0,0|1,0,1]=4 17469 B13R1.6 CCCCC=Cc1nccc(n1)O 271570a_100016275911_100011649813 [0,2,0,0,0,0|1,0,1]=4 17470 B13R1.6 CCCCCCc1cccc(c1)O 271570a_203496583355_100009816010 [0,2,0,0,0,0|1,0,0]=3 17471 B13R1.6 CCCCCNc1c[n+](ccn1)[O-] 27a_100000209983_100009880115 [0,2,0,0,0,0|1,0,0]=3 17472 B13R1.6 CCCCCNc1cc(ccn1)F 27a_100000209983_100000764206 [0,2,0,0,0,0|0,0,0]=2 17473 B13R1.6 CCCCCNc1cc(cnn1)C 27a_100000209983_100000070100 [0,2,0,0,0,0|1,0,0]=3 17474 B13R1.6 CCCCCNc1cc(ncn1)C 27a_100000209983_100000744208 [0,2,0,0,0,0|1,0,0]=3 17475 B13R1.6 CCCCCNc1cc(ncn1)F 27a_100000209983_200009880791 [0,2,0,0,0,0|1,0,0]=3 17476 B13R1.6 CCCCCNc1cc(ncn1)N 27a_100000209983_100000701291 [0,2,0,0,0,0|1,0,0]=3 17477 B13R1.6 CCCCCNc1cc(ncn1)O 271570a_203496583355_200011443287 [0,2,0,0,0,0|1,0,0]=3 17478 B13R1.6 CCCCCNc1cc(ncn1)O 27a_100000209983_100000765262 [0,2,0,0,0,0|1,0,0]=3 17479 B13R1.6 CCCCCNc1cc[nH]c(=O)c1 27a_100000209983_100000061649 [0,2,0,0,0,0|2,0,0]=4 17480 B13R1.6 CCCCCNc1cc[nH]c(=O)n1 27a_100000209983_200000134032 [0,2,0,0,0,0|1,0,0]=3 17481 B13R1.6 CCCCCNc1cccc(c1)Br 34a_100000210019_100000718602 [0,2,0,0,0,0|1,0,0]=3 17482 B13R1.6 CCCCCNc1cccc(c1)C 2230a_100000188690_100000210326 [0,2,0,0,0,0|1,0,0]=3 17483 B13R1.6 CCCCCNc1cccc(c1)C 34a_100000188690_100000718602 [0,2,0,0,0,0|1,0,0]=3 17484 B13R1.6 CCCCCNc1cccc(c1)Cl 34a_100000185859_100000718602 [0,2,0,0,0,0|1,0,0]=3 17485 B13R1.6 CCCCCNc1cccc(c1)F 34a_100000210047_100000718602 [0,2,0,0,0,0|1,0,0]=3 17486 B13R1.6 CCCCCNc1cccc(c1)I 34a_100000211102_100000718602 [0,2,0,0,0,0|1,0,0]=3 17487 B13R1.6 CCCCCNc1cccc(c1)O 34a_100000210217_100000718602 [0,2,0,0,0,0|1,0,0]=3 17488 B13R1.6 CCCCCNc1cccc(n1)F 27a_100000209983_100009815982 [0,2,0,0,0,0|0,0,0]=2 17489 B13R1.6 CCCCCNc1ccnc(c1)C 27a_100000209983_100000758586 [0,2,0,0,0,0|2,0,0]=4 17490 B13R1.6 CCCCCNc1ccnc(c1)F 27a_100000209983_100009816116 [0,2,0,0,0,0|2,0,0]=4 17491 B13R1.6 CCCCCNc1ccnc(n1)C 27a_100000209983_100000749937 [0,2,0,0,0,0|1,0,0]=3 17492 B13R1.6 CCCCCNc1ccnc(n1)N 27a_100000209983_100000055538 [0,2,0,0,0,0|1,0,0]=3 17493 B13R1.6 CCCCCNc1cncc(n1)C 27a_100000209983_100000754123 [0,2,0,0,0,0|1,0,0]=3 17494 B13R1.6 CCCCCNc1cncc(n1)Cl 27a_100000209983_100010892449 [0,2,0,0,0,0|1,0,0]=3 17495 B13R1.6 CCCCCNc1cncc(n1)F 27a_100000209983_200009863489 [0,2,0,0,0,0|1,0,0]=3 17496 B13R1.6 CCCCCNc1cncc(n1)O 271570a_203496583355_200011461484 [0,2,0,0,0,0|1,0,0]=3 17497 B13R1.6 CCCCCNc1nccc(n1)C 27a_100000209983_100000750684 [0,2,0,0,0,0|1,0,0]=3 17498 B13R1.6 CCCCCNc1nccc(n1)N 27a_100000209983_100000757536 [0,2,0,0,0,0|1,0,0]=3 17499 B13R1.6 CCCCCNc1nccc(n1)O 27a_100000209983_100011649813 [0,2,0,0,0,0|1,0,0]=3 17500 B13R1.6 CCCCCNc1ncnc(n1)N 27a_100000209983_100000123831 [0,2,0,0,0,0|2,0,0]=4 17501 B13R1.6 CCCCCOc1cc(cnn1)C 34a_100000766097_100000718602 [0,2,0,0,0,0|1,0,0]=3 17502 B13R1.6 CCCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000718602 [0,2,0,0,0,0|2,0,0]=4 17503 B13R1.6 CCCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000718602 [0,2,0,0,0,0|2,0,0]=4 17504 B13R1.6 CCCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210326 [0,2,0,0,0,0|2,0,0]=4 17505 B13R1.6 CCCCCOc1cccc(=O)[nH]1 34a_100000033347_100000718602 [0,2,0,0,0,0|0,0,1]=3 17506 B13R1.6 CCCCCOc1cccc(c1)Br 34a_100000210342_100000718602 [0,2,0,0,0,0|1,0,0]=3 17507 B13R1.6 CCCCCOc1cccc(c1)Br 7a_100000210342_100000210326 [0,2,0,0,0,0|1,0,0]=3 17508 B13R1.6 CCCCCOc1cccc(c1)C 34a_100000210337_100000718602 [0,2,0,0,0,0|1,0,0]=3 17509 B13R1.6 CCCCCOc1cccc(c1)C 7a_100000210337_100000210326 [0,2,0,0,0,0|1,0,0]=3 17510 B13R1.6 CCCCCOc1cccc(c1)Cl 34a_100000210295_100000718602 [0,2,0,0,0,0|1,0,0]=3 17511 B13R1.6 CCCCCOc1cccc(c1)Cl 7a_100000210295_100000210326 [0,2,0,0,0,0|1,0,0]=3 17512 B13R1.6 CCCCCOc1cccc(c1)F 34a_100000210426_100000718602 [0,2,0,0,0,0|1,0,0]=3 17513 B13R1.6 CCCCCOc1cccc(c1)F 7a_100000210426_100000210326 [0,2,0,0,0,0|1,0,0]=3 17514 B13R1.6 CCCCCOc1cccc(c1)I 34a_100000211634_100000718602 [0,2,0,0,0,0|1,0,0]=3 17515 B13R1.6 CCCCCOc1cccc(c1)I 7a_100000211634_100000210326 [0,2,0,0,0,0|1,0,0]=3 17516 B13R1.6 CCCCCOc1cccc(c1)N 34a_100000210217_100000718602 [0,2,0,0,0,0|1,0,0]=3 17517 B13R1.6 CCCCCOc1cccc(n1)F 34a_100011432558_100000718602 [0,2,0,0,0,0|0,0,0]=2 17518 B13R1.6 CCCCCOc1ccnc(c1)C 34a_100000688365_100000718602 [0,2,0,0,0,0|2,0,0]=4 17519 B13R1.6 CCCCCOc1ccnc(c1)Cl 34a_100000762945_100000718602 [0,2,0,0,0,0|2,0,0]=4 17520 B13R1.6 CCCCCOc1ccnc(c1)F 34a_100000732698_100000718602 [0,2,0,0,0,0|2,0,0]=4 17521 B13R1.6 CCCCCOc1ccnc(c1)N 34a_100011834064_100000718602 [0,2,0,0,0,0|2,0,0]=4 17522 B13R1.6 CCCCCOc1cncc(c1)Br 34a_100000754920_100000718602 [0,2,0,0,0,0|2,0,0]=4 17523 B13R1.6 CCCCCOc1cncc(c1)Br 7a_100000754920_100000210326 [0,2,0,0,0,0|2,0,0]=4 17524 B13R1.6 CCCCCOc1cncc(c1)C 34a_100011830280_100000718602 [0,2,0,0,0,0|2,0,0]=4 17525 B13R1.6 CCCCCOc1cncc(c1)C 7a_100011830280_100000210326 [0,2,0,0,0,0|2,0,0]=4 17526 B13R1.6 CCCCCOc1cncc(c1)Cl 7a_100000032511_100000210326 [0,2,0,0,0,0|2,0,0]=4 17527 B13R1.6 CCCCCOc1cncc(c1)F 34a_100011830296_100000718602 [0,2,0,0,0,0|2,0,0]=4 17528 B13R1.6 CCCCCOc1cncc(c1)F 7a_100011830296_100000210326 [0,2,0,0,0,0|2,0,0]=4 17529 B13R1.6 CCCCCOc1cncc(c1)N 34a_100011997051_100000718602 [0,2,0,0,0,0|2,0,0]=4 17530 B13R1.6 CCCCCSc1c[n+](ccn1)[O-] 62a_100000210326_100009880115 [0,2,0,0,0,0|1,0,0]=3 17531 B13R1.6 CCCCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210326 [0,2,0,0,0,0|1,0,0]=3 17532 B13R1.6 CCCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210326 [0,2,0,0,0,0|0,0,1]=3 17533 B13R1.6 CCCCCSc1cc(ccn1)C 62a_100000210326_100000750283 [0,2,0,0,0,0|0,0,0]=2 17534 B13R1.6 CCCCCSc1cc(ccn1)C 62a_100000750283_100000210326 [0,2,0,0,0,0|0,0,0]=2 17535 B13R1.6 CCCCCSc1cc(ccn1)Cl 62a_100000210326_100010167805 [0,2,0,0,0,0|0,0,0]=2 17536 B13R1.6 CCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210326 [0,2,0,0,0,0|0,0,0]=2 17537 B13R1.6 CCCCCSc1cc(ccn1)F 62a_100000210326_100000764206 [0,2,0,0,0,0|0,0,0]=2 17538 B13R1.6 CCCCCSc1cc(ccn1)F 62a_100000764206_100000210326 [0,2,0,0,0,0|0,0,0]=2 17539 B13R1.6 CCCCCSc1cc(ccn1)N 62a_100000210326_100009814236 [0,2,0,0,0,0|0,0,0]=2 17540 B13R1.6 CCCCCSc1cc(ccn1)N 62a_100009814236_100000210326 [0,2,0,0,0,0|0,0,0]=2 17541 B13R1.6 CCCCCSc1cc(ccn1)O 62a_100000210326_100000762945 [0,2,0,0,0,0|0,0,0]=2 17542 B13R1.6 CCCCCSc1cc(cnn1)C 62a_100000070100_100000210326 [0,2,0,0,0,0|1,0,0]=3 17543 B13R1.6 CCCCCSc1cc(cnn1)C 62a_100000210326_100000070100 [0,2,0,0,0,0|1,0,0]=3 17544 B13R1.6 CCCCCSc1cc(cnn1)N 62a_100000210326_100011996757 [0,2,0,0,0,0|1,0,0]=3 17545 B13R1.6 CCCCCSc1cc(cnn1)N 62a_100011996757_100000210326 [0,2,0,0,0,0|1,0,0]=3 17546 B13R1.6 CCCCCSc1cc(cnn1)O 62a_100000210326_200010734679 [0,2,0,0,0,0|1,0,0]=3 17547 B13R1.6 CCCCCSc1cc(ncn1)C 62a_100000210326_100000744208 [0,2,0,0,0,0|1,0,0]=3 17548 B13R1.6 CCCCCSc1cc(ncn1)C 62a_100000744208_100000210326 [0,2,0,0,0,0|1,0,0]=3 17549 B13R1.6 CCCCCSc1cc(ncn1)Cl 62a_100000210326_100010161198 [0,2,0,0,0,0|1,0,0]=3 17550 B13R1.6 CCCCCSc1cc(ncn1)Cl 62a_100010161198_100000210326 [0,2,0,0,0,0|1,0,0]=3 17551 B13R1.6 CCCCCSc1cc(ncn1)F 62a_100000210326_200009880791 [0,2,0,0,0,0|1,0,0]=3 17552 B13R1.6 CCCCCSc1cc(ncn1)F 62a_200009880791_100000210326 [0,2,0,0,0,0|1,0,0]=3 17553 B13R1.6 CCCCCSc1cc(ncn1)N 62a_100000210326_100000701291 [0,2,0,0,0,0|1,0,0]=3 17554 B13R1.6 CCCCCSc1cc(ncn1)N 62a_100000701291_100000210326 [0,2,0,0,0,0|1,0,0]=3 17555 B13R1.6 CCCCCSc1cc(ncn1)O 62a_100000210326_100000765262 [0,2,0,0,0,0|1,0,0]=3 17556 B13R1.6 CCCCCSc1cc[nH]c(=O)c1 62a_100000210326_100009816521 [0,2,0,0,0,0|2,0,0]=4 17557 B13R1.6 CCCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210326 [0,2,0,0,0,0|2,0,0]=4 17558 B13R1.6 CCCCCSc1cc[nH]c(=O)n1 62a_100000210326_200000134032 [0,2,0,0,0,0|1,0,0]=3 17559 B13R1.6 CCCCCSc1ccc[n+](c1)C 62a_100000210326_100009996589 [0,2,0,0,0,0|2,0,0]=4 17560 B13R1.6 CCCCCSc1ccc[n+](c1)C 62a_100009996589_100000210326 [0,2,0,0,0,0|2,0,0]=4 17561 B13R1.6 CCCCCSc1ccc[n+](c1)[O-] 62a_100000210326_100009815978 [0,2,0,0,0,0|2,0,0]=4 17562 B13R1.6 CCCCCSc1cccc(=O)[nH]1 62a_100000210326_100000752884 [0,2,0,0,0,0|0,0,1]=3 17563 B13R1.6 CCCCCSc1cccc(c1)Br 62a_100000210326_100000691529 [0,2,0,0,0,0|1,0,0]=3 17564 B13R1.6 CCCCCSc1cccc(c1)Br 62a_100000691529_100000210326 [0,2,0,0,0,0|1,0,0]=3 17565 B13R1.6 CCCCCSc1cccc(c1)C 62a_100000210326_100011215228 [0,2,0,0,0,0|1,0,0]=3 17566 B13R1.6 CCCCCSc1cccc(c1)C 62a_100011215228_100000210326 [0,2,0,0,0,0|1,0,0]=3 17567 B13R1.6 CCCCCSc1cccc(c1)Cl 62a_100000210326_100000699651 [0,2,0,0,0,0|1,0,0]=3 17568 B13R1.6 CCCCCSc1cccc(c1)Cl 62a_100000699651_100000210326 [0,2,0,0,0,0|1,0,0]=3 17569 B13R1.6 CCCCCSc1cccc(c1)F 62a_100000210326_100000685547 [0,2,0,0,0,0|1,0,0]=3 17570 B13R1.6 CCCCCSc1cccc(c1)F 62a_100000685547_100000210326 [0,2,0,0,0,0|1,0,0]=3 17571 B13R1.6 CCCCCSc1cccc(c1)N 62a_100000210019_100000210326 [0,2,0,0,0,0|1,0,0]=3 17572 B13R1.6 CCCCCSc1cccc(c1)N 62a_100000210326_100000210019 [0,2,0,0,0,0|1,0,0]=3 17573 B13R1.6 CCCCCSc1cccc(c1)O 62a_100000210326_100000211634 [0,2,0,0,0,0|1,0,0]=3 17574 B13R1.6 CCCCCSc1cccc(c1)[S] 62a_100000210326_114929384022 [0,2,0,0,0,0|1,0,0]=3 17575 B13R1.6 CCCCCSc1cccc(c1)[S] 62a_114929384022_100000210326 [0,2,0,0,0,0|1,0,0]=3 17576 B13R1.6 CCCCCSc1cccc(n1)Br 62a_100000210326_100000684672 [0,2,0,0,0,0|0,0,0]=2 17577 B13R1.6 CCCCCSc1cccc(n1)Br 62a_100000684672_100000210326 [0,2,0,0,0,0|0,0,0]=2 17578 B13R1.6 CCCCCSc1cccc(n1)C 62a_100000210326_100000742759 [0,2,0,0,0,0|0,0,0]=2 17579 B13R1.6 CCCCCSc1cccc(n1)C 62a_100000742759_100000210326 [0,2,0,0,0,0|0,0,0]=2 17580 B13R1.6 CCCCCSc1cccc(n1)Cl 62a_100000051397_100000210326 [0,2,0,0,0,0|0,0,0]=2 17581 B13R1.6 CCCCCSc1cccc(n1)Cl 62a_100000210326_100000051397 [0,2,0,0,0,0|0,0,0]=2 17582 B13R1.6 CCCCCSc1cccc(n1)F 62a_100000210326_100009815982 [0,2,0,0,0,0|0,0,0]=2 17583 B13R1.6 CCCCCSc1cccc(n1)F 62a_100009815982_100000210326 [0,2,0,0,0,0|0,0,0]=2 17584 B13R1.6 CCCCCSc1cccc(n1)N 62a_100000210326_100000740741 [0,2,0,0,0,0|0,0,0]=2 17585 B13R1.6 CCCCCSc1cccc(n1)N 62a_100000740741_100000210326 [0,2,0,0,0,0|0,0,0]=2 17586 B13R1.6 CCCCCSc1ccnc(c1)Br 62a_100000210326_100009814637 [0,2,0,0,0,0|2,0,0]=4 17587 B13R1.6 CCCCCSc1ccnc(c1)Br 62a_100009814637_100000210326 [0,2,0,0,0,0|2,0,0]=4 17588 B13R1.6 CCCCCSc1ccnc(c1)C 62a_100000210326_100000758586 [0,2,0,0,0,0|2,0,0]=4 17589 B13R1.6 CCCCCSc1ccnc(c1)C 62a_100000758586_100000210326 [0,2,0,0,0,0|2,0,0]=4 17590 B13R1.6 CCCCCSc1ccnc(c1)Cl 62a_100000035001_100000210326 [0,2,0,0,0,0|2,0,0]=4 17591 B13R1.6 CCCCCSc1ccnc(c1)Cl 62a_100000210326_100000035001 [0,2,0,0,0,0|2,0,0]=4 17592 B13R1.6 CCCCCSc1ccnc(c1)F 62a_100000210326_100009816116 [0,2,0,0,0,0|2,0,0]=4 17593 B13R1.6 CCCCCSc1ccnc(c1)F 62a_100009816116_100000210326 [0,2,0,0,0,0|2,0,0]=4 17594 B13R1.6 CCCCCSc1ccnc(c1)N 62a_100000049665_100000210326 [0,2,0,0,0,0|2,0,0]=4 17595 B13R1.6 CCCCCSc1ccnc(c1)N 62a_100000210326_100000049665 [0,2,0,0,0,0|2,0,0]=4 17596 B13R1.6 CCCCCSc1ccnc(n1)C 62a_100000210326_100000749937 [0,2,0,0,0,0|1,0,0]=3 17597 B13R1.6 CCCCCSc1ccnc(n1)C 62a_100000749937_100000210326 [0,2,0,0,0,0|1,0,0]=3 17598 B13R1.6 CCCCCSc1ccnc(n1)Cl 62a_100000210326_100010154678 [0,2,0,0,0,0|1,0,0]=3 17599 B13R1.6 CCCCCSc1ccnc(n1)Cl 62a_100010154678_100000210326 [0,2,0,0,0,0|1,0,0]=3 17600 B13R1.6 CCCCCSc1ccnc(n1)N 62a_100000055538_100000210326 [0,2,0,0,0,0|1,0,0]=3 17601 B13R1.6 CCCCCSc1ccnc(n1)N 62a_100000210326_100000055538 [0,2,0,0,0,0|1,0,0]=3 17602 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000210326_100000728054 [0,2,0,0,0,0|2,0,0]=4 17603 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000728054_100000210326 [0,2,0,0,0,0|2,0,0]=4 17604 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000210326_100000760492 [0,2,0,0,0,0|2,0,0]=4 17605 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000760492_100000210326 [0,2,0,0,0,0|2,0,0]=4 17606 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000049639_100000210326 [0,2,0,0,0,0|2,0,0]=4 17607 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000210326_100000049639 [0,2,0,0,0,0|2,0,0]=4 17608 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000210326_100000744099 [0,2,0,0,0,0|2,0,0]=4 17609 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000744099_100000210326 [0,2,0,0,0,0|2,0,0]=4 17610 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000210326_100000687067 [0,2,0,0,0,0|2,0,0]=4 17611 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000687067_100000210326 [0,2,0,0,0,0|2,0,0]=4 17612 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000210326_100000754920 [0,2,0,0,0,0|2,0,0]=4 17613 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000754920_100000210326 [0,2,0,0,0,0|2,0,0]=4 17614 B13R1.6 CCCCCSc1cncc(n1)C 62a_100000210326_100000754123 [0,2,0,0,0,0|1,0,0]=3 17615 B13R1.6 CCCCCSc1cncc(n1)C 62a_100000754123_100000210326 [0,2,0,0,0,0|1,0,0]=3 17616 B13R1.6 CCCCCSc1cncc(n1)Cl 62a_100000210326_100010892449 [0,2,0,0,0,0|1,0,0]=3 17617 B13R1.6 CCCCCSc1cncc(n1)Cl 62a_100010892449_100000210326 [0,2,0,0,0,0|1,0,0]=3 17618 B13R1.6 CCCCCSc1cncc(n1)F 62a_100000210326_200009863489 [0,2,0,0,0,0|1,0,0]=3 17619 B13R1.6 CCCCCSc1cncc(n1)F 62a_200009863489_100000210326 [0,2,0,0,0,0|1,0,0]=3 17620 B13R1.6 CCCCCSc1cncc(n1)N 62a_100000210326_100000747728 [0,2,0,0,0,0|1,0,0]=3 17621 B13R1.6 CCCCCSc1cncc(n1)N 62a_100000747728_100000210326 [0,2,0,0,0,0|1,0,0]=3 17622 B13R1.6 CCCCCSc1cncc(n1)O 62a_100000210326_100011269956 [0,2,0,0,0,0|1,0,0]=3 17623 B13R1.6 CCCCCSc1nccc(n1)C 62a_100000210326_100011243806 [0,2,0,0,0,0|1,0,0]=3 17624 B13R1.6 CCCCCSc1nccc(n1)C 62a_100011243806_100000210326 [0,2,0,0,0,0|1,0,0]=3 17625 B13R1.6 CCCCCSc1nccc(n1)N 62a_100000210326_100000757536 [0,2,0,0,0,0|1,0,0]=3 17626 B13R1.6 CCCCCSc1nccc(n1)N 62a_100000757536_100000210326 [0,2,0,0,0,0|1,0,0]=3 17627 B13R1.6 CCCCCSc1nccc(n1)O 62a_100000210326_100011649813 [0,2,0,0,0,0|1,0,0]=3 17628 B13R1.6 CCCCCSc1ncnc(n1)N 62a_100000123831_100000210326 [0,2,0,0,0,0|2,0,0]=4 17629 B13R1.6 CCCCCSc1ncnc(n1)N 62a_100000210326_100000123831 [0,2,0,0,0,0|2,0,0]=4 17630 B13R1.6 CCCCNCc1cc(ccn1)Br 2230a_100000102301_100010173614 [0,2,0,0,0,0|0,0,0]=2 17631 B13R1.6 CCCCNCc1cc(ccn1)Br 270004a_100000102301_100009818557 [0,2,0,0,0,0|0,0,0]=2 17632 B13R1.6 CCCCNCc1cc(ccn1)Br 7a_106832991798_100010173614 [0,2,0,0,0,0|0,0,0]=2 17633 B13R1.6 CCCCNCc1cc(ccn1)C 207a_100000102301_100011361488 [0,2,0,0,0,0|0,0,0]=2 17634 B13R1.6 CCCCNCc1cc(ccn1)C 2230a_100000102301_100000718516 [0,2,0,0,0,0|0,0,0]=2 17635 B13R1.6 CCCCNCc1cc(ccn1)C 270004a_100000102301_100011361488 [0,2,0,0,0,0|0,0,0]=2 17636 B13R1.6 CCCCNCc1cc(ccn1)C 7a_106832991798_100000718516 [0,2,0,0,0,0|0,0,0]=2 17637 B13R1.6 CCCCNCc1cc(ccn1)Cl 2230a_100000102301_100016988179 [0,2,0,0,0,0|0,0,0]=2 17638 B13R1.6 CCCCNCc1cc(ccn1)Cl 270004a_100000102301_100011998288 [0,2,0,0,0,0|0,0,0]=2 17639 B13R1.6 CCCCNCc1cc(ccn1)Cl 7a_106832991798_100016988179 [0,2,0,0,0,0|0,0,0]=2 17640 B13R1.6 CCCCNCc1cccc(=O)[nH]1 207a_100000102301_100011935257 [0,2,0,0,0,0|0,0,1]=3 17641 B13R1.6 CCCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210211 [0,2,0,0,0,0|0,0,1]=3 17642 B13R1.6 CCCCNCc1cccc(c1)Br 207a_100000102301_100000210085 [0,2,0,0,0,0|1,0,0]=3 17643 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000102301_100000698116 [0,2,0,0,0,0|1,0,0]=3 17644 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000174977_100000210211 [0,2,0,0,0,0|1,0,0]=3 17645 B13R1.6 CCCCNCc1cccc(c1)Br 270004a_100000102301_100000210085 [0,2,0,0,0,0|1,0,0]=3 17646 B13R1.6 CCCCNCc1cccc(c1)Br 34a_100000174977_100000210210 [0,2,0,0,0,0|1,0,0]=3 17647 B13R1.6 CCCCNCc1cccc(c1)Br 7a_106832991798_100000211773 [0,2,0,0,0,0|1,0,0]=3 17648 B13R1.6 CCCCNCc1cccc(c1)C 207a_100000102301_100000211157 [0,2,0,0,0,0|1,0,0]=3 17649 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000102301_100000211840 [0,2,0,0,0,0|1,0,0]=3 17650 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000185548_100000210211 [0,2,0,0,0,0|1,0,0]=3 17651 B13R1.6 CCCCNCc1cccc(c1)C 270004a_100000102301_100000211157 [0,2,0,0,0,0|1,0,0]=3 17652 B13R1.6 CCCCNCc1cccc(c1)C 34a_100000185548_100000210210 [0,2,0,0,0,0|1,0,0]=3 17653 B13R1.6 CCCCNCc1cccc(c1)C 7a_106832991798_100000211840 [0,2,0,0,0,0|1,0,0]=3 17654 B13R1.6 CCCCNCc1cccc(c1)Cl 207a_100000102301_100000210801 [0,2,0,0,0,0|1,0,0]=3 17655 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000102301_100000181238 [0,2,0,0,0,0|1,0,0]=3 17656 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210211 [0,2,0,0,0,0|1,0,0]=3 17657 B13R1.6 CCCCNCc1cccc(c1)Cl 270004a_100000102301_100000210801 [0,2,0,0,0,0|1,0,0]=3 17658 B13R1.6 CCCCNCc1cccc(c1)Cl 34a_100000174878_100000210210 [0,2,0,0,0,0|1,0,0]=3 17659 B13R1.6 CCCCNCc1cccc(c1)Cl 7a_106832991798_100000187163 [0,2,0,0,0,0|1,0,0]=3 17660 B13R1.6 CCCCNCc1cccc(c1)F 207a_100000102301_100000210812 [0,2,0,0,0,0|1,0,0]=3 17661 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000102301_100000230114 [0,2,0,0,0,0|1,0,0]=3 17662 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000174948_100000210211 [0,2,0,0,0,0|1,0,0]=3 17663 B13R1.6 CCCCNCc1cccc(c1)F 270004a_100000102301_100000210812 [0,2,0,0,0,0|1,0,0]=3 17664 B13R1.6 CCCCNCc1cccc(c1)F 34a_100000174948_100000210210 [0,2,0,0,0,0|1,0,0]=3 17665 B13R1.6 CCCCNCc1cccc(c1)F 7a_106832991798_100000230114 [0,2,0,0,0,0|1,0,0]=3 17666 B13R1.6 CCCCNCc1cccc(c1)I 207a_100000102301_100000014684 [0,2,0,0,0,0|1,0,0]=3 17667 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000102301_100011218688 [0,2,0,0,0,0|1,0,0]=3 17668 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000106179_100000210211 [0,2,0,0,0,0|1,0,0]=3 17669 B13R1.6 CCCCNCc1cccc(c1)I 270004a_100000102301_100000014684 [0,2,0,0,0,0|1,0,0]=3 17670 B13R1.6 CCCCNCc1cccc(c1)I 34a_100000106179_100000210210 [0,2,0,0,0,0|1,0,0]=3 17671 B13R1.6 CCCCNCc1cccc(c1)I 7a_106832991798_100011218688 [0,2,0,0,0,0|1,0,0]=3 17672 B13R1.6 CCCCNCc1cccc(c1)O 207a_100000102301_100000188321 [0,2,0,0,0,0|1,0,0]=3 17673 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000102301_100011660834 [0,2,0,0,0,0|1,0,0]=3 17674 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000743036_100000210211 [0,2,0,0,0,0|1,0,0]=3 17675 B13R1.6 CCCCNCc1cccc(c1)O 270004a_100000102301_100000188321 [0,2,0,0,0,0|1,0,0]=3 17676 B13R1.6 CCCCNCc1cccc(c1)O 271570a_203496583355_100015186518 [0,2,0,0,0,0|1,0,0]=3 17677 B13R1.6 CCCCNCc1cccc(c1)O 34a_100000743036_100000210210 [0,2,0,0,0,0|1,0,0]=3 17678 B13R1.6 CCCCNCc1cccc(c1)O 7a_106832991798_100000084143 [0,2,0,0,0,0|1,0,0]=3 17679 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100000102301_100009889011 [0,2,0,0,0,0|0,0,0]=2 17680 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100016987751_100000210211 [0,2,0,0,0,0|0,0,0]=2 17681 B13R1.6 CCCCNCc1cccc(n1)Br 270004a_100000102301_100000688028 [0,2,0,0,0,0|0,0,0]=2 17682 B13R1.6 CCCCNCc1cccc(n1)Br 7a_106832991798_100009889011 [0,2,0,0,0,0|0,0,0]=2 17683 B13R1.6 CCCCNCc1cccc(n1)C 207a_100000102301_100011215050 [0,2,0,0,0,0|0,0,0]=2 17684 B13R1.6 CCCCNCc1cccc(n1)C 2230a_100000102301_100000757606 [0,2,0,0,0,0|0,0,0]=2 17685 B13R1.6 CCCCNCc1cccc(n1)C 270004a_100000102301_100011215050 [0,2,0,0,0,0|0,0,0]=2 17686 B13R1.6 CCCCNCc1cccc(n1)C 34a_100000701342_100000210210 [0,2,0,0,0,0|0,0,0]=2 17687 B13R1.6 CCCCNCc1cccc(n1)C 7a_106832991798_100000757606 [0,2,0,0,0,0|0,0,0]=2 17688 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100000102301_100000086093 [0,2,0,0,0,0|0,0,0]=2 17689 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100016990191_100000210211 [0,2,0,0,0,0|0,0,0]=2 17690 B13R1.6 CCCCNCc1cccc(n1)Cl 270004a_100000102301_100011361687 [0,2,0,0,0,0|0,0,0]=2 17691 B13R1.6 CCCCNCc1cccc(n1)Cl 7a_106832991798_100000086093 [0,2,0,0,0,0|0,0,0]=2 17692 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100000102301_100009819644 [0,2,0,0,0,0|0,0,0]=2 17693 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100015188798_100000210211 [0,2,0,0,0,0|0,0,0]=2 17694 B13R1.6 CCCCNCc1cccc(n1)F 270004a_100000102301_100000050434 [0,2,0,0,0,0|0,0,0]=2 17695 B13R1.6 CCCCNCc1cccc(n1)F 34a_100015188798_100000210210 [0,2,0,0,0,0|0,0,0]=2 17696 B13R1.6 CCCCNCc1cccc(n1)F 7a_106832991798_100009819644 [0,2,0,0,0,0|0,0,0]=2 17697 B13R1.6 CCCCNCc1ccnc(c1)Br 2230a_100000102301_100010243470 [0,2,0,0,0,0|2,0,0]=4 17698 B13R1.6 CCCCNCc1ccnc(c1)Br 2230a_100025757509_100000210211 [0,2,0,0,0,0|2,0,0]=4 17699 B13R1.6 CCCCNCc1ccnc(c1)Br 270004a_100000102301_100009814634 [0,2,0,0,0,0|2,0,0]=4 17700 B13R1.6 CCCCNCc1ccnc(c1)Br 34a_100025757509_100000210210 [0,2,0,0,0,0|2,0,0]=4 17701 B13R1.6 CCCCNCc1ccnc(c1)Br 7a_106832991798_100010254460 [0,2,0,0,0,0|2,0,0]=4 17702 B13R1.6 CCCCNCc1ccnc(c1)C 207a_100000102301_100011361630 [0,2,0,0,0,0|2,0,0]=4 17703 B13R1.6 CCCCNCc1ccnc(c1)C 2230a_100000102301_200020672517 [0,2,0,0,0,0|2,0,0]=4 17704 B13R1.6 CCCCNCc1ccnc(c1)C 270004a_100000102301_100011361630 [0,2,0,0,0,0|2,0,0]=4 17705 B13R1.6 CCCCNCc1ccnc(c1)C 34a_100011934566_100000210210 [0,2,0,0,0,0|2,0,0]=4 17706 B13R1.6 CCCCNCc1ccnc(c1)C 7a_106832991798_200020672517 [0,2,0,0,0,0|2,0,0]=4 17707 B13R1.6 CCCCNCc1ccnc(c1)Cl 2230a_100000102301_100000764220 [0,2,0,0,0,0|2,0,0]=4 17708 B13R1.6 CCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210211 [0,2,0,0,0,0|2,0,0]=4 17709 B13R1.6 CCCCNCc1ccnc(c1)Cl 270004a_100000102301_100011290808 [0,2,0,0,0,0|2,0,0]=4 17710 B13R1.6 CCCCNCc1ccnc(c1)Cl 34a_100015205668_100000210210 [0,2,0,0,0,0|2,0,0]=4 17711 B13R1.6 CCCCNCc1ccnc(c1)Cl 7a_106832991798_100000764220 [0,2,0,0,0,0|2,0,0]=4 17712 B13R1.6 CCCCNCc1ccnc(c1)F 2230a_100015188774_100000210211 [0,2,0,0,0,0|2,0,0]=4 17713 B13R1.6 CCCCNCc1ccnc(c1)F 270004a_100000102301_100000068331 [0,2,0,0,0,0|2,0,0]=4 17714 B13R1.6 CCCCNCc1ccnc(c1)F 34a_100015188774_100000210210 [0,2,0,0,0,0|2,0,0]=4 17715 B13R1.6 CCCCNCc1ccnc(c1)O 207a_100000102301_100000688113 [0,2,0,0,0,0|2,0,0]=4 17716 B13R1.6 CCCCNCc1ccnc(n1)C 270004a_100000102301_100011361539 [0,2,0,0,0,0|1,0,0]=3 17717 B13R1.6 CCCCNCc1ccnc(n1)Cl 2230a_100000102301_100000099655 [0,2,0,0,0,0|1,0,0]=3 17718 B13R1.6 CCCCNCc1ccnc(n1)Cl 7a_106832991798_100000099655 [0,2,0,0,0,0|1,0,0]=3 17719 B13R1.6 CCCCNCc1cncc(c1)Br 207a_100000102301_100000687066 [0,2,0,0,0,0|2,0,0]=4 17720 B13R1.6 CCCCNCc1cncc(c1)Br 2230a_100000102301_100000738771 [0,2,0,0,0,0|2,0,0]=4 17721 B13R1.6 CCCCNCc1cncc(c1)Br 270004a_100000102301_100000687066 [0,2,0,0,0,0|2,0,0]=4 17722 B13R1.6 CCCCNCc1cncc(c1)Br 7a_106832991798_100000738771 [0,2,0,0,0,0|2,0,0]=4 17723 B13R1.6 CCCCNCc1cncc(c1)C 207a_100000102301_100011998712 [0,2,0,0,0,0|2,0,0]=4 17724 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000102301_100000716715 [0,2,0,0,0,0|2,0,0]=4 17725 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000692839_100000210211 [0,2,0,0,0,0|2,0,0]=4 17726 B13R1.6 CCCCNCc1cncc(c1)C 270004a_100000102301_100011998712 [0,2,0,0,0,0|2,0,0]=4 17727 B13R1.6 CCCCNCc1cncc(c1)C 34a_100000692839_100000210210 [0,2,0,0,0,0|2,0,0]=4 17728 B13R1.6 CCCCNCc1cncc(c1)C 7a_106832991798_100000716715 [0,2,0,0,0,0|2,0,0]=4 17729 B13R1.6 CCCCNCc1cncc(c1)Cl 207a_100000102301_100000088910 [0,2,0,0,0,0|2,0,0]=4 17730 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_100000102301_100016992070 [0,2,0,0,0,0|2,0,0]=4 17731 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_200020614424_100000210211 [0,2,0,0,0,0|2,0,0]=4 17732 B13R1.6 CCCCNCc1cncc(c1)Cl 270004a_100000102301_100000088910 [0,2,0,0,0,0|2,0,0]=4 17733 B13R1.6 CCCCNCc1cncc(c1)Cl 7a_106832991798_100016992070 [0,2,0,0,0,0|2,0,0]=4 17734 B13R1.6 CCCCNCc1cncc(c1)F 207a_100000102301_100011361476 [0,2,0,0,0,0|2,0,0]=4 17735 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100000102301_100000725299 [0,2,0,0,0,0|2,0,0]=4 17736 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100011962886_100000210211 [0,2,0,0,0,0|2,0,0]=4 17737 B13R1.6 CCCCNCc1cncc(c1)F 270004a_100000102301_100011361476 [0,2,0,0,0,0|2,0,0]=4 17738 B13R1.6 CCCCNCc1cncc(c1)F 34a_100011962886_100000210210 [0,2,0,0,0,0|2,0,0]=4 17739 B13R1.6 CCCCNCc1cncc(c1)F 7a_106832991798_100000725299 [0,2,0,0,0,0|2,0,0]=4 17740 B13R1.6 CCCCNCc1cncc(c1)O 207a_100000102301_100012187055 [0,2,0,0,0,0|2,0,0]=4 17741 B13R1.6 CCCCNCc1cncc(c1)O 270004a_100000102301_100012187055 [0,2,0,0,0,0|2,0,0]=4 17742 B13R1.6 CCCCNCc1cncc(n1)C 207a_100000102301_100000100294 [0,2,0,0,0,0|1,0,0]=3 17743 B13R1.6 CCCCNCc1cncc(n1)C 270004a_100000102301_100000100294 [0,2,0,0,0,0|1,0,0]=3 17744 B13R1.6 CCCCNCc1nccc(n1)C 2230a_100015186494_100000210211 [0,2,0,0,0,0|1,0,0]=3 17745 B13R1.6 CCCCOCc1cc(ccn1)Br 34a_100000210227_100010173614 [0,2,0,0,0,0|0,0,0]=2 17746 B13R1.6 CCCCOCc1cc(ccn1)Br 7a_100000210227_100010173614 [0,2,0,0,0,0|0,0,0]=2 17747 B13R1.6 CCCCOCc1cc(ccn1)C 34a_100000210227_100000718516 [0,2,0,0,0,0|0,0,0]=2 17748 B13R1.6 CCCCOCc1cc(ccn1)C 34a_100011998357_100000210210 [0,2,0,0,0,0|0,0,0]=2 17749 B13R1.6 CCCCOCc1cc(ccn1)C 7a_100000210227_100000718516 [0,2,0,0,0,0|0,0,0]=2 17750 B13R1.6 CCCCOCc1cc(ccn1)Cl 34a_100000210227_100016988179 [0,2,0,0,0,0|0,0,0]=2 17751 B13R1.6 CCCCOCc1cc(ccn1)Cl 34a_100000748867_100000210210 [0,2,0,0,0,0|0,0,0]=2 17752 B13R1.6 CCCCOCc1cc(ccn1)Cl 7a_100000210227_100016988179 [0,2,0,0,0,0|0,0,0]=2 17753 B13R1.6 CCCCOCc1cc(ccn1)N 34a_100000692640_100000210210 [0,2,0,0,0,0|0,0,0]=2 17754 B13R1.6 CCCCOCc1cc(cnn1)C 34a_100016212594_100000210210 [0,2,0,0,0,0|1,0,0]=3 17755 B13R1.6 CCCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210210 [0,2,0,0,0,0|2,0,0]=4 17756 B13R1.6 CCCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210211 [0,2,0,0,0,0|2,0,0]=4 17757 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000210227_100000698116 [0,2,0,0,0,0|1,0,0]=3 17758 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000687537_100000210210 [0,2,0,0,0,0|1,0,0]=3 17759 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000210227_100000211773 [0,2,0,0,0,0|1,0,0]=3 17760 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000687537_100000210211 [0,2,0,0,0,0|1,0,0]=3 17761 B13R1.6 CCCCOCc1cccc(c1)C 34a_100000210227_100000211840 [0,2,0,0,0,0|1,0,0]=3 17762 B13R1.6 CCCCOCc1cccc(c1)C 34a_100011217746_100000210210 [0,2,0,0,0,0|1,0,0]=3 17763 B13R1.6 CCCCOCc1cccc(c1)C 7a_100000210227_100000211840 [0,2,0,0,0,0|1,0,0]=3 17764 B13R1.6 CCCCOCc1cccc(c1)C 7a_100011217746_100000210211 [0,2,0,0,0,0|1,0,0]=3 17765 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000210227_100000187163 [0,2,0,0,0,0|1,0,0]=3 17766 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000241301_100000210210 [0,2,0,0,0,0|1,0,0]=3 17767 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000210227_100000187163 [0,2,0,0,0,0|1,0,0]=3 17768 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000241301_100000210211 [0,2,0,0,0,0|1,0,0]=3 17769 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210227_100000187166 [0,2,0,0,0,0|1,0,0]=3 17770 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210976_100000210210 [0,2,0,0,0,0|1,0,0]=3 17771 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210227_100000230114 [0,2,0,0,0,0|1,0,0]=3 17772 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210976_100000210211 [0,2,0,0,0,0|1,0,0]=3 17773 B13R1.6 CCCCOCc1cccc(c1)I 34a_100000210227_100011218688 [0,2,0,0,0,0|1,0,0]=3 17774 B13R1.6 CCCCOCc1cccc(c1)I 34a_100011215336_100000210210 [0,2,0,0,0,0|1,0,0]=3 17775 B13R1.6 CCCCOCc1cccc(c1)I 7a_100000210227_100011218688 [0,2,0,0,0,0|1,0,0]=3 17776 B13R1.6 CCCCOCc1cccc(c1)I 7a_100011215336_100000210211 [0,2,0,0,0,0|1,0,0]=3 17777 B13R1.6 CCCCOCc1cccc(c1)N 34a_100000211919_100000210210 [0,2,0,0,0,0|1,0,0]=3 17778 B13R1.6 CCCCOCc1cccc(c1)O 34a_100000210227_100011660834 [0,2,0,0,0,0|1,0,0]=3 17779 B13R1.6 CCCCOCc1cccc(c1)O 7a_100000210227_100000084143 [0,2,0,0,0,0|1,0,0]=3 17780 B13R1.6 CCCCOCc1cccc(n1)Br 34a_100000210227_100009889011 [0,2,0,0,0,0|0,0,0]=2 17781 B13R1.6 CCCCOCc1cccc(n1)Br 34a_100000694195_100000210210 [0,2,0,0,0,0|0,0,0]=2 17782 B13R1.6 CCCCOCc1cccc(n1)Br 7a_100000210227_100009889011 [0,2,0,0,0,0|0,0,0]=2 17783 B13R1.6 CCCCOCc1cccc(n1)C 34a_100000210227_100000757606 [0,2,0,0,0,0|0,0,0]=2 17784 B13R1.6 CCCCOCc1cccc(n1)C 34a_100000690600_100000210210 [0,2,0,0,0,0|0,0,0]=2 17785 B13R1.6 CCCCOCc1cccc(n1)C 7a_100000210227_100000757606 [0,2,0,0,0,0|0,0,0]=2 17786 B13R1.6 CCCCOCc1cccc(n1)Cl 34a_100000210227_100000086093 [0,2,0,0,0,0|0,0,0]=2 17787 B13R1.6 CCCCOCc1cccc(n1)Cl 34a_100011998359_100000210210 [0,2,0,0,0,0|0,0,0]=2 17788 B13R1.6 CCCCOCc1cccc(n1)Cl 7a_100000210227_100000086093 [0,2,0,0,0,0|0,0,0]=2 17789 B13R1.6 CCCCOCc1cccc(n1)F 34a_100000086748_100000210210 [0,2,0,0,0,0|0,0,0]=2 17790 B13R1.6 CCCCOCc1cccc(n1)F 34a_100000210227_100009819644 [0,2,0,0,0,0|0,0,0]=2 17791 B13R1.6 CCCCOCc1cccc(n1)F 7a_100000210227_100009819644 [0,2,0,0,0,0|0,0,0]=2 17792 B13R1.6 CCCCOCc1ccnc(c1)Br 34a_100000210227_100010243470 [0,2,0,0,0,0|2,0,0]=4 17793 B13R1.6 CCCCOCc1ccnc(c1)Br 34a_100009814636_100000210210 [0,2,0,0,0,0|2,0,0]=4 17794 B13R1.6 CCCCOCc1ccnc(c1)Br 7a_100000210227_100010254460 [0,2,0,0,0,0|2,0,0]=4 17795 B13R1.6 CCCCOCc1ccnc(c1)Br 7a_100009814636_100000210211 [0,2,0,0,0,0|2,0,0]=4 17796 B13R1.6 CCCCOCc1ccnc(c1)C 34a_100000210227_200020672517 [0,2,0,0,0,0|2,0,0]=4 17797 B13R1.6 CCCCOCc1ccnc(c1)C 34a_100011998630_100000210210 [0,2,0,0,0,0|2,0,0]=4 17798 B13R1.6 CCCCOCc1ccnc(c1)C 7a_100000210227_200020672517 [0,2,0,0,0,0|2,0,0]=4 17799 B13R1.6 CCCCOCc1ccnc(c1)Cl 34a_100000210227_100000764220 [0,2,0,0,0,0|2,0,0]=4 17800 B13R1.6 CCCCOCc1ccnc(c1)Cl 34a_100000748751_100000210210 [0,2,0,0,0,0|2,0,0]=4 17801 B13R1.6 CCCCOCc1ccnc(c1)Cl 7a_100000210227_100000764220 [0,2,0,0,0,0|2,0,0]=4 17802 B13R1.6 CCCCOCc1ccnc(c1)F 34a_100000082451_100000210210 [0,2,0,0,0,0|2,0,0]=4 17803 B13R1.6 CCCCOCc1ccnc(n1)Cl 34a_100000210227_100000099655 [0,2,0,0,0,0|1,0,0]=3 17804 B13R1.6 CCCCOCc1ccnc(n1)Cl 7a_100000210227_100000099655 [0,2,0,0,0,0|1,0,0]=3 17805 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100000210227_100000738771 [0,2,0,0,0,0|2,0,0]=4 17806 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100011259137_100000210210 [0,2,0,0,0,0|2,0,0]=4 17807 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100000210227_100000738771 [0,2,0,0,0,0|2,0,0]=4 17808 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100011259137_100000210211 [0,2,0,0,0,0|2,0,0]=4 17809 B13R1.6 CCCCOCc1cncc(c1)C 34a_100000210227_100000716715 [0,2,0,0,0,0|2,0,0]=4 17810 B13R1.6 CCCCOCc1cncc(c1)C 34a_100011998709_100000210210 [0,2,0,0,0,0|2,0,0]=4 17811 B13R1.6 CCCCOCc1cncc(c1)C 7a_100000210227_100000716715 [0,2,0,0,0,0|2,0,0]=4 17812 B13R1.6 CCCCOCc1cncc(c1)C 7a_100011998709_100000210211 [0,2,0,0,0,0|2,0,0]=4 17813 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000092867_100000210210 [0,2,0,0,0,0|2,0,0]=4 17814 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000210227_100016992070 [0,2,0,0,0,0|2,0,0]=4 17815 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000092867_100000210211 [0,2,0,0,0,0|2,0,0]=4 17816 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000210227_100016992070 [0,2,0,0,0,0|2,0,0]=4 17817 B13R1.6 CCCCOCc1cncc(c1)F 34a_100000210227_100000725299 [0,2,0,0,0,0|2,0,0]=4 17818 B13R1.6 CCCCOCc1cncc(c1)F 34a_100011962875_100000210210 [0,2,0,0,0,0|2,0,0]=4 17819 B13R1.6 CCCCOCc1cncc(c1)F 7a_100000210227_100000725299 [0,2,0,0,0,0|2,0,0]=4 17820 B13R1.6 CCCCOCc1cncc(c1)F 7a_100011962875_100000210211 [0,2,0,0,0,0|2,0,0]=4 17821 B13R1.6 CCCCOCc1cncc(c1)N 34a_100000085308_100000210210 [0,2,0,0,0,0|2,0,0]=4 17822 B13R1.6 CCCCSCc1cc(ccn1)Br 62a_100000210211_100010173614 [0,2,0,0,0,0|0,0,0]=2 17823 B13R1.6 CCCCSCc1cc(ccn1)Br 62a_100010173614_100000210210 [0,2,0,0,0,0|0,0,0]=2 17824 B13R1.6 CCCCSCc1cc(ccn1)C 62a_100000210211_100000718516 [0,2,0,0,0,0|0,0,0]=2 17825 B13R1.6 CCCCSCc1cc(ccn1)C 62a_100000718516_100000210210 [0,2,0,0,0,0|0,0,0]=2 17826 B13R1.6 CCCCSCc1cc(ccn1)Cl 62a_100000210211_100016988179 [0,2,0,0,0,0|0,0,0]=2 17827 B13R1.6 CCCCSCc1cc(ccn1)Cl 62a_100016988179_100000210210 [0,2,0,0,0,0|0,0,0]=2 17828 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000210211_100000211773 [0,2,0,0,0,0|1,0,0]=3 17829 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000211773_100000210210 [0,2,0,0,0,0|1,0,0]=3 17830 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000210211_100000211840 [0,2,0,0,0,0|1,0,0]=3 17831 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000211840_100000210210 [0,2,0,0,0,0|1,0,0]=3 17832 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000187163_100000210210 [0,2,0,0,0,0|1,0,0]=3 17833 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000210211_100000187163 [0,2,0,0,0,0|1,0,0]=3 17834 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000210211_100000230114 [0,2,0,0,0,0|1,0,0]=3 17835 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000230114_100000210210 [0,2,0,0,0,0|1,0,0]=3 17836 B13R1.6 CCCCSCc1cccc(c1)I 62a_100000210211_100011218688 [0,2,0,0,0,0|1,0,0]=3 17837 B13R1.6 CCCCSCc1cccc(c1)I 62a_100011218688_100000210210 [0,2,0,0,0,0|1,0,0]=3 17838 B13R1.6 CCCCSCc1cccc(c1)O 62a_100000210211_100011660834 [0,2,0,0,0,0|1,0,0]=3 17839 B13R1.6 CCCCSCc1cccc(c1)O 62a_100011660834_100000210210 [0,2,0,0,0,0|1,0,0]=3 17840 B13R1.6 CCCCSCc1cccc(n1)Br 62a_100000210211_100009889011 [0,2,0,0,0,0|0,0,0]=2 17841 B13R1.6 CCCCSCc1cccc(n1)Br 62a_100009889011_100000210210 [0,2,0,0,0,0|0,0,0]=2 17842 B13R1.6 CCCCSCc1cccc(n1)C 62a_100000210211_100000757606 [0,2,0,0,0,0|0,0,0]=2 17843 B13R1.6 CCCCSCc1cccc(n1)C 62a_100000757606_100000210210 [0,2,0,0,0,0|0,0,0]=2 17844 B13R1.6 CCCCSCc1cccc(n1)Cl 62a_100000086093_100000210210 [0,2,0,0,0,0|0,0,0]=2 17845 B13R1.6 CCCCSCc1cccc(n1)Cl 62a_100000210211_100000086093 [0,2,0,0,0,0|0,0,0]=2 17846 B13R1.6 CCCCSCc1cccc(n1)F 62a_100000210211_100009819644 [0,2,0,0,0,0|0,0,0]=2 17847 B13R1.6 CCCCSCc1cccc(n1)F 62a_100009819644_100000210210 [0,2,0,0,0,0|0,0,0]=2 17848 B13R1.6 CCCCSCc1ccnc(c1)Br 62a_100000210211_100010243470 [0,2,0,0,0,0|2,0,0]=4 17849 B13R1.6 CCCCSCc1ccnc(c1)Br 62a_100010254460_100000210210 [0,2,0,0,0,0|2,0,0]=4 17850 B13R1.6 CCCCSCc1ccnc(c1)C 62a_100000210211_200020672517 [0,2,0,0,0,0|2,0,0]=4 17851 B13R1.6 CCCCSCc1ccnc(c1)C 62a_200020672517_100000210210 [0,2,0,0,0,0|2,0,0]=4 17852 B13R1.6 CCCCSCc1ccnc(c1)Cl 62a_100000210211_100000764220 [0,2,0,0,0,0|2,0,0]=4 17853 B13R1.6 CCCCSCc1ccnc(c1)Cl 62a_100000764220_100000210210 [0,2,0,0,0,0|2,0,0]=4 17854 B13R1.6 CCCCSCc1ccnc(n1)Cl 62a_100000099655_100000210210 [0,2,0,0,0,0|1,0,0]=3 17855 B13R1.6 CCCCSCc1ccnc(n1)Cl 62a_100000210211_100000099655 [0,2,0,0,0,0|1,0,0]=3 17856 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000210211_100000738771 [0,2,0,0,0,0|2,0,0]=4 17857 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000738771_100000210210 [0,2,0,0,0,0|2,0,0]=4 17858 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000210211_100000716715 [0,2,0,0,0,0|2,0,0]=4 17859 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000716715_100000210210 [0,2,0,0,0,0|2,0,0]=4 17860 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100000210211_100016992070 [0,2,0,0,0,0|2,0,0]=4 17861 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100016992070_100000210210 [0,2,0,0,0,0|2,0,0]=4 17862 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000210211_100000725299 [0,2,0,0,0,0|2,0,0]=4 17863 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000725299_100000210210 [0,2,0,0,0,0|2,0,0]=4 17864 B13R1.6 CCCNCCc1cccc(c1)Br 2230a_100011207229_100000210303 [0,2,0,0,0,0|1,0,0]=3 17865 B13R1.6 CCCNCCc1cccc(c1)Br 34a_100011207229_100000210303 [0,2,0,0,0,0|1,0,0]=3 17866 B13R1.6 CCCNCCc1cccc(c1)C 2230a_100000749837_100000210303 [0,2,0,0,0,0|1,0,0]=3 17867 B13R1.6 CCCNCCc1cccc(c1)C 34a_100000749837_100000210303 [0,2,0,0,0,0|1,0,0]=3 17868 B13R1.6 CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210303 [0,2,0,0,0,0|1,0,0]=3 17869 B13R1.6 CCCNCCc1cccc(c1)Cl 34a_100000185263_100000210303 [0,2,0,0,0,0|1,0,0]=3 17870 B13R1.6 CCCNCCc1cccc(c1)F 2230a_100000205154_100000210303 [0,2,0,0,0,0|1,0,0]=3 17871 B13R1.6 CCCNCCc1cccc(c1)F 34a_100000205154_100000210303 [0,2,0,0,0,0|1,0,0]=3 17872 B13R1.6 CCCNCCc1cccc(c1)O 2230a_100000747277_100000210303 [0,2,0,0,0,0|1,0,0]=3 17873 B13R1.6 CCCNCCc1cccc(c1)O 34a_100000747277_100000210303 [0,2,0,0,0,0|1,0,0]=3 17874 B13R1.6 CCCNCCc1cccc(n1)C 2230a_100011824523_100000210303 [0,2,0,0,0,0|0,0,0]=2 17875 B13R1.6 CCCNCCc1cccc(n1)C 34a_100011824523_100000210303 [0,2,0,0,0,0|0,0,0]=2 17876 B13R1.6 CCCNN=Cc1cc(ccn1)Br 4a_100000740057_100009818557 [0,2,0,0,0,0|1,0,1]=4 17877 B13R1.6 CCCNN=Cc1cc(ccn1)C 4a_100000740057_100011361488 [0,2,0,0,0,0|1,0,1]=4 17878 B13R1.6 CCCNN=Cc1cc(ccn1)Cl 4a_100000740057_100011998288 [0,2,0,0,0,0|1,0,1]=4 17879 B13R1.6 CCCNN=Cc1cccc(n1)Br 4a_100000740057_100000688028 [0,2,0,0,0,0|1,0,1]=4 17880 B13R1.6 CCCNN=Cc1cccc(n1)C 4a_100000740057_100011215050 [0,2,0,0,0,0|1,0,1]=4 17881 B13R1.6 CCCNN=Cc1cccc(n1)Cl 4a_100000740057_100011361687 [0,2,0,0,0,0|1,0,1]=4 17882 B13R1.6 CCCNN=Cc1cccc(n1)F 4a_100000740057_100000050434 [0,2,0,0,0,0|1,0,1]=4 17883 B13R1.6 CCCOCCc1cccc(c1)Br 34a_100000210258_100011740638 [0,2,0,0,0,0|1,0,0]=3 17884 B13R1.6 CCCOCCc1cccc(c1)Br 34a_100011217444_100000210303 [0,2,0,0,0,0|1,0,0]=3 17885 B13R1.6 CCCOCCc1cccc(c1)Br 7a_100011217444_100000210303 [0,2,0,0,0,0|1,0,0]=3 17886 B13R1.6 CCCOCCc1cccc(c1)C 34a_100000210258_100011713685 [0,2,0,0,0,0|1,0,0]=3 17887 B13R1.6 CCCOCCc1cccc(c1)C 34a_100011217157_100000210303 [0,2,0,0,0,0|1,0,0]=3 17888 B13R1.6 CCCOCCc1cccc(c1)C 7a_100011217157_100000210303 [0,2,0,0,0,0|1,0,0]=3 17889 B13R1.6 CCCOCCc1cccc(c1)Cl 34a_100000210258_100011713710 [0,2,0,0,0,0|1,0,0]=3 17890 B13R1.6 CCCOCCc1cccc(c1)Cl 34a_100000754733_100000210303 [0,2,0,0,0,0|1,0,0]=3 17891 B13R1.6 CCCOCCc1cccc(c1)Cl 7a_100000754733_100000210303 [0,2,0,0,0,0|1,0,0]=3 17892 B13R1.6 CCCOCCc1cccc(c1)F 34a_100000210258_100011217235 [0,2,0,0,0,0|1,0,0]=3 17893 B13R1.6 CCCOCCc1cccc(c1)F 34a_100000763591_100000210303 [0,2,0,0,0,0|1,0,0]=3 17894 B13R1.6 CCCOCCc1cccc(c1)F 7a_100000763591_100000210303 [0,2,0,0,0,0|1,0,0]=3 17895 B13R1.6 CCCOCCc1cccc(c1)N 34a_100011996697_100000210303 [0,2,0,0,0,0|1,0,0]=3 17896 B13R1.6 CCCOCCc1cccc(n1)Br 34a_100010221043_100000210303 [0,2,0,0,0,0|0,0,0]=2 17897 B13R1.6 CCCOCCc1cccc(n1)Br 7a_100010221043_100000210303 [0,2,0,0,0,0|0,0,0]=2 17898 B13R1.6 CCCSCCc1cccc(c1)Br 62a_100000210303_100011740638 [0,2,0,0,0,0|1,0,0]=3 17899 B13R1.6 CCCSCCc1cccc(c1)Br 62a_100011740638_100000210303 [0,2,0,0,0,0|1,0,0]=3 17900 B13R1.6 CCCSCCc1cccc(c1)C 62a_100000210303_100011713685 [0,2,0,0,0,0|1,0,0]=3 17901 B13R1.6 CCCSCCc1cccc(c1)C 62a_100011713685_100000210303 [0,2,0,0,0,0|1,0,0]=3 17902 B13R1.6 CCCSCCc1cccc(c1)Cl 62a_100000210303_100011713710 [0,2,0,0,0,0|1,0,0]=3 17903 B13R1.6 CCCSCCc1cccc(c1)Cl 62a_100011713710_100000210303 [0,2,0,0,0,0|1,0,0]=3 17904 B13R1.6 CCCSCCc1cccc(c1)F 62a_100000210303_100011217235 [0,2,0,0,0,0|1,0,0]=3 17905 B13R1.6 CCCSCCc1cccc(c1)F 62a_100011217235_100000210303 [0,2,0,0,0,0|1,0,0]=3 17906 B13R1.6 CCNCCCc1cccc(c1)Br 2230a_100000753791_100000210202 [0,2,0,0,0,0|1,0,0]=3 17907 B13R1.6 CCNCCCc1cccc(c1)Br 2230a_100015525214_100011713683 [0,2,0,0,0,0|1,0,0]=3 17908 B13R1.6 CCNCCCc1cccc(c1)Br 34a_100000753791_100000210202 [0,2,0,0,0,0|1,0,0]=3 17909 B13R1.6 CCNCCCc1cccc(c1)C 2230a_103496528808_100000210202 [0,2,0,0,0,0|1,0,0]=3 17910 B13R1.6 CCNCCCc1cccc(c1)C 34a_103496528808_100000210202 [0,2,0,0,0,0|1,0,0]=3 17911 B13R1.6 CCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210202 [0,2,0,0,0,0|1,0,0]=3 17912 B13R1.6 CCNCCCc1cccc(c1)Cl 34a_100000704586_100000210202 [0,2,0,0,0,0|1,0,0]=3 17913 B13R1.6 CCNCCCc1cccc(c1)F 2230a_100000754185_100000210202 [0,2,0,0,0,0|1,0,0]=3 17914 B13R1.6 CCNCCCc1cccc(c1)F 2230a_100015525214_200000698031 [0,2,0,0,0,0|1,0,0]=3 17915 B13R1.6 CCNCCCc1cccc(c1)F 34a_100000754185_100000210202 [0,2,0,0,0,0|1,0,0]=3 17916 B13R1.6 CCNCCOc1cccc(c1)Br 2230a_100000743521_100000210202 [0,2,0,0,0,0|2,0,0]=4 17917 B13R1.6 CCNCCOc1cccc(c1)Br 2230a_100015525214_100000183150 [0,2,0,0,0,0|2,0,0]=4 17918 B13R1.6 CCNCCOc1cccc(c1)Br 34a_100000743521_100000210202 [0,2,0,0,0,0|2,0,0]=4 17919 B13R1.6 CCNCCOc1cccc(c1)C 2230a_100015185188_100000210202 [0,2,0,0,0,0|2,0,0]=4 17920 B13R1.6 CCNCCOc1cccc(c1)C 34a_100015185188_100000210202 [0,2,0,0,0,0|2,0,0]=4 17921 B13R1.6 CCNCCOc1cccc(c1)Cl 2230a_100000740232_100000210202 [0,2,0,0,0,0|2,0,0]=4 17922 B13R1.6 CCNCCOc1cccc(c1)Cl 2230a_100015525214_100000181161 [0,2,0,0,0,0|2,0,0]=4 17923 B13R1.6 CCNCCOc1cccc(c1)Cl 34a_100000740232_100000210202 [0,2,0,0,0,0|2,0,0]=4 17924 B13R1.6 CCNCCOc1cccc(c1)F 2230a_100000738948_100000210202 [0,2,0,0,0,0|2,0,0]=4 17925 B13R1.6 CCNCCOc1cccc(c1)F 2230a_100015525214_100000739188 [0,2,0,0,0,0|2,0,0]=4 17926 B13R1.6 CCNCCOc1cccc(c1)F 34a_100000738948_100000210202 [0,2,0,0,0,0|2,0,0]=4 17927 B13R1.6 CCOCCCc1cccc(c1)Br 34a_100011709248_100000210202 [0,2,0,0,0,0|1,0,0]=3 17928 B13R1.6 CCOCCCc1cccc(c1)Br 34a_100121572206_100011713683 [0,2,0,0,0,0|1,0,0]=3 17929 B13R1.6 CCOCCCc1cccc(c1)Br 7a_100011709248_100000210202 [0,2,0,0,0,0|1,0,0]=3 17930 B13R1.6 CCOCCCc1cccc(c1)Cl 34a_100011709246_100000210202 [0,2,0,0,0,0|1,0,0]=3 17931 B13R1.6 CCOCCCc1cccc(c1)Cl 7a_100011709246_100000210202 [0,2,0,0,0,0|1,0,0]=3 17932 B13R1.6 CCOCCCc1cccc(c1)F 34a_100121572206_200000698031 [0,2,0,0,0,0|1,0,0]=3 17933 B13R1.6 CCOCCCc1cccc(c1)N 34a_200000698965_100000210202 [0,2,0,0,0,0|1,0,0]=3 17934 B13R1.6 CCOCCCc1cccc(c1)N 7a_200000698965_100000210202 [0,2,0,0,0,0|1,0,0]=3 17935 B13R1.6 CCOCCCc1cccc(n1)C 34a_100000211354_100000210202 [0,2,0,0,0,0|0,0,0]=2 17936 B13R1.6 CCOCCNc1c[n+](ccn1)[O-] 27a_100011200944_100009880115 [0,2,0,0,0,0|2,0,0]=4 17937 B13R1.6 CCOCCNc1cc(ccn1)F 27a_100011200944_100000764206 [0,2,0,0,0,0|1,0,0]=3 17938 B13R1.6 CCOCCNc1cc(cnn1)C 27a_100011200944_100000070100 [0,2,0,0,0,0|2,0,0]=4 17939 B13R1.6 CCOCCNc1cc(ncn1)C 27a_100011200944_100000744208 [0,2,0,0,0,0|2,0,0]=4 17940 B13R1.6 CCOCCNc1cc(ncn1)F 27a_100011200944_200009880791 [0,2,0,0,0,0|2,0,0]=4 17941 B13R1.6 CCOCCNc1cc(ncn1)N 27a_100011200944_100000701291 [0,2,0,0,0,0|2,0,0]=4 17942 B13R1.6 CCOCCNc1cc(ncn1)O 27a_100011200944_100000765262 [0,2,0,0,0,0|2,0,0]=4 17943 B13R1.6 CCOCCNc1cc[nH]c(=O)n1 27a_100011200944_200000134032 [0,2,0,0,0,0|2,0,0]=4 17944 B13R1.6 CCOCCNc1cccc(c1)Br 34a_100000210019_100000210147 [0,2,0,0,0,0|2,0,0]=4 17945 B13R1.6 CCOCCNc1cccc(c1)C 2230a_100000188690_100011215890 [0,2,0,0,0,0|2,0,0]=4 17946 B13R1.6 CCOCCNc1cccc(c1)C 34a_100000188690_100000210147 [0,2,0,0,0,0|2,0,0]=4 17947 B13R1.6 CCOCCNc1cccc(c1)Cl 34a_100000185859_100000210147 [0,2,0,0,0,0|2,0,0]=4 17948 B13R1.6 CCOCCNc1cccc(c1)F 34a_100000210047_100000210147 [0,2,0,0,0,0|2,0,0]=4 17949 B13R1.6 CCOCCNc1cccc(c1)I 34a_100000211102_100000210147 [0,2,0,0,0,0|2,0,0]=4 17950 B13R1.6 CCOCCNc1cccc(c1)O 34a_100000210217_100000210147 [0,2,0,0,0,0|2,0,0]=4 17951 B13R1.6 CCOCCNc1cccc(n1)F 27a_100011200944_100009815982 [0,2,0,0,0,0|1,0,0]=3 17952 B13R1.6 CCOCCNc1cccc(n1)F 34a_200011432718_100000210202 [0,2,0,0,0,0|1,0,0]=3 17953 B13R1.6 CCOCCNc1ccnc(n1)C 27a_100011200944_100000749937 [0,2,0,0,0,0|2,0,0]=4 17954 B13R1.6 CCOCCNc1ccnc(n1)N 27a_100011200944_100000055538 [0,2,0,0,0,0|2,0,0]=4 17955 B13R1.6 CCOCCNc1cncc(n1)C 27a_100011200944_100000754123 [0,2,0,0,0,0|2,0,0]=4 17956 B13R1.6 CCOCCNc1cncc(n1)Cl 27a_100011200944_100010892449 [0,2,0,0,0,0|2,0,0]=4 17957 B13R1.6 CCOCCNc1cncc(n1)F 27a_100011200944_200009863489 [0,2,0,0,0,0|2,0,0]=4 17958 B13R1.6 CCOCCNc1nccc(n1)C 27a_100011200944_100000750684 [0,2,0,0,0,0|2,0,0]=4 17959 B13R1.6 CCOCCNc1nccc(n1)N 27a_100011200944_100000757536 [0,2,0,0,0,0|2,0,0]=4 17960 B13R1.6 CCOCCNc1nccc(n1)O 27a_100011200944_100011649813 [0,2,0,0,0,0|2,0,0]=4 17961 B13R1.6 CCOCCOc1cc(cnn1)C 34a_100000766097_100000210147 [0,2,0,0,0,0|2,0,0]=4 17962 B13R1.6 CCOCCOc1cccc(=O)[nH]1 34a_100000033347_100000210147 [0,2,0,0,0,0|1,0,1]=4 17963 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100000210342_100000210147 [0,2,0,0,0,0|2,0,0]=4 17964 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100000757546_100000210202 [0,2,0,0,0,0|2,0,0]=4 17965 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100121572206_100000183150 [0,2,0,0,0,0|2,0,0]=4 17966 B13R1.6 CCOCCOc1cccc(c1)Br 7a_100000210342_100011215890 [0,2,0,0,0,0|2,0,0]=4 17967 B13R1.6 CCOCCOc1cccc(c1)Br 7a_100000757546_100000210202 [0,2,0,0,0,0|2,0,0]=4 17968 B13R1.6 CCOCCOc1cccc(c1)C 34a_100000210337_100000210147 [0,2,0,0,0,0|2,0,0]=4 17969 B13R1.6 CCOCCOc1cccc(c1)C 34a_200011215094_100000210202 [0,2,0,0,0,0|2,0,0]=4 17970 B13R1.6 CCOCCOc1cccc(c1)C 7a_100000210337_100011215890 [0,2,0,0,0,0|2,0,0]=4 17971 B13R1.6 CCOCCOc1cccc(c1)C 7a_200011215094_100000210202 [0,2,0,0,0,0|2,0,0]=4 17972 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100000210295_100000210147 [0,2,0,0,0,0|2,0,0]=4 17973 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100000230539_100000210202 [0,2,0,0,0,0|2,0,0]=4 17974 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100121572206_100000181161 [0,2,0,0,0,0|2,0,0]=4 17975 B13R1.6 CCOCCOc1cccc(c1)Cl 7a_100000210295_100011215890 [0,2,0,0,0,0|2,0,0]=4 17976 B13R1.6 CCOCCOc1cccc(c1)Cl 7a_100000230539_100000210202 [0,2,0,0,0,0|2,0,0]=4 17977 B13R1.6 CCOCCOc1cccc(c1)F 34a_100000210426_100000210147 [0,2,0,0,0,0|2,0,0]=4 17978 B13R1.6 CCOCCOc1cccc(c1)F 34a_100121572206_100000739188 [0,2,0,0,0,0|2,0,0]=4 17979 B13R1.6 CCOCCOc1cccc(c1)F 7a_100000210426_100011215890 [0,2,0,0,0,0|2,0,0]=4 17980 B13R1.6 CCOCCOc1cccc(c1)I 34a_100000211634_100000210147 [0,2,0,0,0,0|2,0,0]=4 17981 B13R1.6 CCOCCOc1cccc(c1)I 7a_100000211634_100011215890 [0,2,0,0,0,0|2,0,0]=4 17982 B13R1.6 CCOCCOc1cccc(c1)N 34a_100000210217_100000210147 [0,2,0,0,0,0|2,0,0]=4 17983 B13R1.6 CCOCCOc1cccc(c1)N 34a_100011232151_100000210202 [0,2,0,0,0,0|2,0,0]=4 17984 B13R1.6 CCOCCOc1cccc(n1)F 34a_100011432558_100000210147 [0,2,0,0,0,0|1,0,0]=3 17985 B13R1.6 CCOCCSc1c[n+](ccn1)[O-] 62a_100000210147_100009880115 [0,2,0,0,0,0|2,0,0]=4 17986 B13R1.6 CCOCCSc1cc(=O)[nH]cn1 62a_100012002517_100011215890 [0,2,0,0,0,0|2,0,0]=4 17987 B13R1.6 CCOCCSc1cc(=O)cc[nH]1 62a_100009817434_100011215890 [0,2,0,0,0,0|1,0,1]=4 17988 B13R1.6 CCOCCSc1cc(ccn1)C 62a_100000210147_100000750283 [0,2,0,0,0,0|1,0,0]=3 17989 B13R1.6 CCOCCSc1cc(ccn1)C 62a_100000750283_100011215890 [0,2,0,0,0,0|1,0,0]=3 17990 B13R1.6 CCOCCSc1cc(ccn1)Cl 62a_100000210147_100010167805 [0,2,0,0,0,0|1,0,0]=3 17991 B13R1.6 CCOCCSc1cc(ccn1)Cl 62a_100010167805_100011215890 [0,2,0,0,0,0|1,0,0]=3 17992 B13R1.6 CCOCCSc1cc(ccn1)F 62a_100000210147_100000764206 [0,2,0,0,0,0|1,0,0]=3 17993 B13R1.6 CCOCCSc1cc(ccn1)F 62a_100000764206_100011215890 [0,2,0,0,0,0|1,0,0]=3 17994 B13R1.6 CCOCCSc1cc(ccn1)N 62a_100000210147_100009814236 [0,2,0,0,0,0|1,0,0]=3 17995 B13R1.6 CCOCCSc1cc(ccn1)N 62a_100009814236_100011215890 [0,2,0,0,0,0|1,0,0]=3 17996 B13R1.6 CCOCCSc1cc(ccn1)O 62a_100000210147_100000762945 [0,2,0,0,0,0|1,0,0]=3 17997 B13R1.6 CCOCCSc1cc(cnn1)C 62a_100000070100_100011215890 [0,2,0,0,0,0|2,0,0]=4 17998 B13R1.6 CCOCCSc1cc(cnn1)C 62a_100000210147_100000070100 [0,2,0,0,0,0|2,0,0]=4 17999 B13R1.6 CCOCCSc1cc(cnn1)N 62a_100000210147_100011996757 [0,2,0,0,0,0|2,0,0]=4 18000 B13R1.6 CCOCCSc1cc(cnn1)N 62a_100011996757_100011215890 [0,2,0,0,0,0|2,0,0]=4 18001 B13R1.6 CCOCCSc1cc(cnn1)O 62a_100000210147_200010734679 [0,2,0,0,0,0|2,0,0]=4 18002 B13R1.6 CCOCCSc1cc(ncn1)C 62a_100000210147_100000744208 [0,2,0,0,0,0|2,0,0]=4 18003 B13R1.6 CCOCCSc1cc(ncn1)C 62a_100000744208_100011215890 [0,2,0,0,0,0|2,0,0]=4 18004 B13R1.6 CCOCCSc1cc(ncn1)Cl 62a_100000210147_100010161198 [0,2,0,0,0,0|2,0,0]=4 18005 B13R1.6 CCOCCSc1cc(ncn1)Cl 62a_100010161198_100011215890 [0,2,0,0,0,0|2,0,0]=4 18006 B13R1.6 CCOCCSc1cc(ncn1)F 62a_100000210147_200009880791 [0,2,0,0,0,0|2,0,0]=4 18007 B13R1.6 CCOCCSc1cc(ncn1)F 62a_200009880791_100011215890 [0,2,0,0,0,0|2,0,0]=4 18008 B13R1.6 CCOCCSc1cc(ncn1)N 62a_100000210147_100000701291 [0,2,0,0,0,0|2,0,0]=4 18009 B13R1.6 CCOCCSc1cc(ncn1)N 62a_100000701291_100011215890 [0,2,0,0,0,0|2,0,0]=4 18010 B13R1.6 CCOCCSc1cc(ncn1)O 62a_100000210147_100000765262 [0,2,0,0,0,0|2,0,0]=4 18011 B13R1.6 CCOCCSc1cc[nH]c(=O)n1 62a_100000210147_200000134032 [0,2,0,0,0,0|2,0,0]=4 18012 B13R1.6 CCOCCSc1cccc(=O)[nH]1 62a_100000210147_100000752884 [0,2,0,0,0,0|1,0,1]=4 18013 B13R1.6 CCOCCSc1cccc(c1)Br 62a_100000210147_100000691529 [0,2,0,0,0,0|2,0,0]=4 18014 B13R1.6 CCOCCSc1cccc(c1)Br 62a_100000691529_100011215890 [0,2,0,0,0,0|2,0,0]=4 18015 B13R1.6 CCOCCSc1cccc(c1)Br 7a_200011756134_100000210202 [0,2,0,0,0,0|2,0,0]=4 18016 B13R1.6 CCOCCSc1cccc(c1)C 34a_200011432187_100000210202 [0,2,0,0,0,0|2,0,0]=4 18017 B13R1.6 CCOCCSc1cccc(c1)C 62a_100000210147_100011215228 [0,2,0,0,0,0|2,0,0]=4 18018 B13R1.6 CCOCCSc1cccc(c1)C 62a_100011215228_100011215890 [0,2,0,0,0,0|2,0,0]=4 18019 B13R1.6 CCOCCSc1cccc(c1)C 7a_200011432187_100000210202 [0,2,0,0,0,0|2,0,0]=4 18020 B13R1.6 CCOCCSc1cccc(c1)Cl 34a_200011721761_100000210202 [0,2,0,0,0,0|2,0,0]=4 18021 B13R1.6 CCOCCSc1cccc(c1)Cl 62a_100000210147_100000699651 [0,2,0,0,0,0|2,0,0]=4 18022 B13R1.6 CCOCCSc1cccc(c1)Cl 62a_100000699651_100011215890 [0,2,0,0,0,0|2,0,0]=4 18023 B13R1.6 CCOCCSc1cccc(c1)Cl 7a_200011721761_100000210202 [0,2,0,0,0,0|2,0,0]=4 18024 B13R1.6 CCOCCSc1cccc(c1)F 34a_200011996949_100000210202 [0,2,0,0,0,0|2,0,0]=4 18025 B13R1.6 CCOCCSc1cccc(c1)F 62a_100000210147_100000685547 [0,2,0,0,0,0|2,0,0]=4 18026 B13R1.6 CCOCCSc1cccc(c1)F 62a_100000685547_100011215890 [0,2,0,0,0,0|2,0,0]=4 18027 B13R1.6 CCOCCSc1cccc(c1)F 7a_200011996949_100000210202 [0,2,0,0,0,0|2,0,0]=4 18028 B13R1.6 CCOCCSc1cccc(c1)N 62a_100000210019_100011215890 [0,2,0,0,0,0|2,0,0]=4 18029 B13R1.6 CCOCCSc1cccc(c1)N 62a_100000210147_100000210019 [0,2,0,0,0,0|2,0,0]=4 18030 B13R1.6 CCOCCSc1cccc(c1)O 62a_100000210147_100000211634 [0,2,0,0,0,0|2,0,0]=4 18031 B13R1.6 CCOCCSc1cccc(c1)[S] 62a_100000210147_114929384022 [0,2,0,0,0,0|2,0,0]=4 18032 B13R1.6 CCOCCSc1cccc(c1)[S] 62a_114929384022_100011215890 [0,2,0,0,0,0|2,0,0]=4 18033 B13R1.6 CCOCCSc1cccc(n1)Br 62a_100000210147_100000684672 [0,2,0,0,0,0|1,0,0]=3 18034 B13R1.6 CCOCCSc1cccc(n1)Br 62a_100000684672_100011215890 [0,2,0,0,0,0|1,0,0]=3 18035 B13R1.6 CCOCCSc1cccc(n1)C 62a_100000210147_100000742759 [0,2,0,0,0,0|1,0,0]=3 18036 B13R1.6 CCOCCSc1cccc(n1)C 62a_100000742759_100011215890 [0,2,0,0,0,0|1,0,0]=3 18037 B13R1.6 CCOCCSc1cccc(n1)Cl 62a_100000051397_100011215890 [0,2,0,0,0,0|1,0,0]=3 18038 B13R1.6 CCOCCSc1cccc(n1)Cl 62a_100000210147_100000051397 [0,2,0,0,0,0|1,0,0]=3 18039 B13R1.6 CCOCCSc1cccc(n1)F 62a_100000210147_100009815982 [0,2,0,0,0,0|1,0,0]=3 18040 B13R1.6 CCOCCSc1cccc(n1)F 62a_100009815982_100011215890 [0,2,0,0,0,0|1,0,0]=3 18041 B13R1.6 CCOCCSc1cccc(n1)N 62a_100000210147_100000740741 [0,2,0,0,0,0|1,0,0]=3 18042 B13R1.6 CCOCCSc1cccc(n1)N 62a_100000740741_100011215890 [0,2,0,0,0,0|1,0,0]=3 18043 B13R1.6 CCOCCSc1ccnc(n1)C 62a_100000210147_100000749937 [0,2,0,0,0,0|2,0,0]=4 18044 B13R1.6 CCOCCSc1ccnc(n1)C 62a_100000749937_100011215890 [0,2,0,0,0,0|2,0,0]=4 18045 B13R1.6 CCOCCSc1ccnc(n1)Cl 62a_100000210147_100010154678 [0,2,0,0,0,0|2,0,0]=4 18046 B13R1.6 CCOCCSc1ccnc(n1)Cl 62a_100010154678_100011215890 [0,2,0,0,0,0|2,0,0]=4 18047 B13R1.6 CCOCCSc1ccnc(n1)N 62a_100000055538_100011215890 [0,2,0,0,0,0|2,0,0]=4 18048 B13R1.6 CCOCCSc1ccnc(n1)N 62a_100000210147_100000055538 [0,2,0,0,0,0|2,0,0]=4 18049 B13R1.6 CCOCCSc1cncc(n1)C 62a_100000210147_100000754123 [0,2,0,0,0,0|2,0,0]=4 18050 B13R1.6 CCOCCSc1cncc(n1)C 62a_100000754123_100011215890 [0,2,0,0,0,0|2,0,0]=4 18051 B13R1.6 CCOCCSc1cncc(n1)Cl 62a_100000210147_100010892449 [0,2,0,0,0,0|2,0,0]=4 18052 B13R1.6 CCOCCSc1cncc(n1)Cl 62a_100010892449_100011215890 [0,2,0,0,0,0|2,0,0]=4 18053 B13R1.6 CCOCCSc1cncc(n1)F 62a_100000210147_200009863489 [0,2,0,0,0,0|2,0,0]=4 18054 B13R1.6 CCOCCSc1cncc(n1)F 62a_200009863489_100011215890 [0,2,0,0,0,0|2,0,0]=4 18055 B13R1.6 CCOCCSc1cncc(n1)N 62a_100000210147_100000747728 [0,2,0,0,0,0|2,0,0]=4 18056 B13R1.6 CCOCCSc1cncc(n1)N 62a_100000747728_100011215890 [0,2,0,0,0,0|2,0,0]=4 18057 B13R1.6 CCOCCSc1cncc(n1)O 62a_100000210147_100011269956 [0,2,0,0,0,0|2,0,0]=4 18058 B13R1.6 CCOCCSc1nccc(n1)C 62a_100000210147_100011243806 [0,2,0,0,0,0|2,0,0]=4 18059 B13R1.6 CCOCCSc1nccc(n1)C 62a_100011243806_100011215890 [0,2,0,0,0,0|2,0,0]=4 18060 B13R1.6 CCOCCSc1nccc(n1)N 62a_100000210147_100000757536 [0,2,0,0,0,0|2,0,0]=4 18061 B13R1.6 CCOCCSc1nccc(n1)N 62a_100000757536_100011215890 [0,2,0,0,0,0|2,0,0]=4 18062 B13R1.6 CCOCCSc1nccc(n1)O 62a_100000210147_100011649813 [0,2,0,0,0,0|2,0,0]=4 18063 B13R1.6 CCOCSCc1cc(ccn1)Br 62a_100000739092_100010173614 [0,2,0,0,0,0|1,0,0]=3 18064 B13R1.6 CCOCSCc1cc(ccn1)Br 62a_100010173614_100000739092 [0,2,0,0,0,0|1,0,0]=3 18065 B13R1.6 CCOCSCc1cc(ccn1)C 62a_100000718516_100000739092 [0,2,0,0,0,0|1,0,0]=3 18066 B13R1.6 CCOCSCc1cc(ccn1)C 62a_100000739092_100000718516 [0,2,0,0,0,0|1,0,0]=3 18067 B13R1.6 CCOCSCc1cc(ccn1)Cl 62a_100000739092_100016988179 [0,2,0,0,0,0|1,0,0]=3 18068 B13R1.6 CCOCSCc1cc(ccn1)Cl 62a_100016988179_100000739092 [0,2,0,0,0,0|1,0,0]=3 18069 B13R1.6 CCOCSCc1cccc(c1)Br 62a_100000211773_100000739092 [0,2,0,0,0,0|2,0,0]=4 18070 B13R1.6 CCOCSCc1cccc(c1)Br 62a_100000739092_100000211773 [0,2,0,0,0,0|2,0,0]=4 18071 B13R1.6 CCOCSCc1cccc(c1)C 62a_100000211840_100000739092 [0,2,0,0,0,0|2,0,0]=4 18072 B13R1.6 CCOCSCc1cccc(c1)C 62a_100000739092_100000211840 [0,2,0,0,0,0|2,0,0]=4 18073 B13R1.6 CCOCSCc1cccc(c1)Cl 62a_100000187163_100000739092 [0,2,0,0,0,0|2,0,0]=4 18074 B13R1.6 CCOCSCc1cccc(c1)Cl 62a_100000739092_100000187163 [0,2,0,0,0,0|2,0,0]=4 18075 B13R1.6 CCOCSCc1cccc(c1)F 62a_100000230114_100000739092 [0,2,0,0,0,0|2,0,0]=4 18076 B13R1.6 CCOCSCc1cccc(c1)F 62a_100000739092_100000230114 [0,2,0,0,0,0|2,0,0]=4 18077 B13R1.6 CCOCSCc1cccc(c1)I 62a_100000739092_100011218688 [0,2,0,0,0,0|2,0,0]=4 18078 B13R1.6 CCOCSCc1cccc(c1)I 62a_100011218688_100000739092 [0,2,0,0,0,0|2,0,0]=4 18079 B13R1.6 CCOCSCc1cccc(c1)O 62a_100000739092_100011660834 [0,2,0,0,0,0|2,0,0]=4 18080 B13R1.6 CCOCSCc1cccc(c1)O 62a_100011660834_100000739092 [0,2,0,0,0,0|2,0,0]=4 18081 B13R1.6 CCOCSCc1cccc(n1)Br 62a_100000739092_100009889011 [0,2,0,0,0,0|1,0,0]=3 18082 B13R1.6 CCOCSCc1cccc(n1)Br 62a_100009889011_100000739092 [0,2,0,0,0,0|1,0,0]=3 18083 B13R1.6 CCOCSCc1cccc(n1)C 62a_100000739092_100000757606 [0,2,0,0,0,0|1,0,0]=3 18084 B13R1.6 CCOCSCc1cccc(n1)C 62a_100000757606_100000739092 [0,2,0,0,0,0|1,0,0]=3 18085 B13R1.6 CCOCSCc1cccc(n1)Cl 62a_100000086093_100000739092 [0,2,0,0,0,0|1,0,0]=3 18086 B13R1.6 CCOCSCc1cccc(n1)Cl 62a_100000739092_100000086093 [0,2,0,0,0,0|1,0,0]=3 18087 B13R1.6 CCOCSCc1cccc(n1)F 62a_100000739092_100009819644 [0,2,0,0,0,0|1,0,0]=3 18088 B13R1.6 CCOCSCc1cccc(n1)F 62a_100009819644_100000739092 [0,2,0,0,0,0|1,0,0]=3 18089 B13R1.6 CCOCSCc1ccnc(n1)Cl 62a_100000099655_100000739092 [0,2,0,0,0,0|2,0,0]=4 18090 B13R1.6 CCOCSCc1ccnc(n1)Cl 62a_100000739092_100000099655 [0,2,0,0,0,0|2,0,0]=4 18091 B13R1.6 CCSCCCc1cccc(c1)Br 62a_100000210202_100011713683 [0,2,0,0,0,0|1,0,0]=3 18092 B13R1.6 CCSCCCc1cccc(c1)Br 62a_100011713683_100000210202 [0,2,0,0,0,0|1,0,0]=3 18093 B13R1.6 CCSCCCc1cccc(c1)F 62a_100000210202_200000698031 [0,2,0,0,0,0|1,0,0]=3 18094 B13R1.6 CCSCCCc1cccc(c1)F 62a_200000698031_100000210202 [0,2,0,0,0,0|1,0,0]=3 18095 B13R1.6 CCSCCNc1c[n+](ccn1)[O-] 27a_100000106463_100009880115 [0,2,0,0,0,0|2,0,0]=4 18096 B13R1.6 CCSCCNc1cc(ccn1)F 27a_100000106463_100000764206 [0,2,0,0,0,0|1,0,0]=3 18097 B13R1.6 CCSCCNc1cc(cnn1)C 27a_100000106463_100000070100 [0,2,0,0,0,0|2,0,0]=4 18098 B13R1.6 CCSCCNc1cc(ncn1)C 27a_100000106463_100000744208 [0,2,0,0,0,0|2,0,0]=4 18099 B13R1.6 CCSCCNc1cc(ncn1)F 27a_100000106463_200009880791 [0,2,0,0,0,0|2,0,0]=4 18100 B13R1.6 CCSCCNc1cc(ncn1)N 27a_100000106463_100000701291 [0,2,0,0,0,0|2,0,0]=4 18101 B13R1.6 CCSCCNc1cc(ncn1)O 27a_100000106463_100000765262 [0,2,0,0,0,0|2,0,0]=4 18102 B13R1.6 CCSCCNc1cc[nH]c(=O)n1 27a_100000106463_200000134032 [0,2,0,0,0,0|2,0,0]=4 18103 B13R1.6 CCSCCNc1cccc(c1)Br 34a_100000210019_100000757381 [0,2,0,0,0,0|2,0,0]=4 18104 B13R1.6 CCSCCNc1cccc(c1)C 2230a_100000188690_100000757381 [0,2,0,0,0,0|2,0,0]=4 18105 B13R1.6 CCSCCNc1cccc(c1)C 34a_100000188690_100000757381 [0,2,0,0,0,0|2,0,0]=4 18106 B13R1.6 CCSCCNc1cccc(c1)Cl 34a_100000185859_100000757381 [0,2,0,0,0,0|2,0,0]=4 18107 B13R1.6 CCSCCNc1cccc(c1)F 34a_100000210047_100000757381 [0,2,0,0,0,0|2,0,0]=4 18108 B13R1.6 CCSCCNc1cccc(c1)I 34a_100000211102_100000757381 [0,2,0,0,0,0|2,0,0]=4 18109 B13R1.6 CCSCCNc1cccc(c1)O 34a_100000210217_100000757381 [0,2,0,0,0,0|2,0,0]=4 18110 B13R1.6 CCSCCNc1cccc(n1)F 27a_100000106463_100009815982 [0,2,0,0,0,0|1,0,0]=3 18111 B13R1.6 CCSCCNc1ccnc(n1)C 27a_100000106463_100000749937 [0,2,0,0,0,0|2,0,0]=4 18112 B13R1.6 CCSCCNc1ccnc(n1)N 27a_100000106463_100000055538 [0,2,0,0,0,0|2,0,0]=4 18113 B13R1.6 CCSCCNc1cncc(n1)C 27a_100000106463_100000754123 [0,2,0,0,0,0|2,0,0]=4 18114 B13R1.6 CCSCCNc1cncc(n1)Cl 27a_100000106463_100010892449 [0,2,0,0,0,0|2,0,0]=4 18115 B13R1.6 CCSCCNc1cncc(n1)F 27a_100000106463_200009863489 [0,2,0,0,0,0|2,0,0]=4 18116 B13R1.6 CCSCCNc1nccc(n1)C 27a_100000106463_100000750684 [0,2,0,0,0,0|2,0,0]=4 18117 B13R1.6 CCSCCNc1nccc(n1)N 27a_100000106463_100000757536 [0,2,0,0,0,0|2,0,0]=4 18118 B13R1.6 CCSCCNc1nccc(n1)O 27a_100000106463_100011649813 [0,2,0,0,0,0|2,0,0]=4 18119 B13R1.6 CCSCCOc1cc(cnn1)C 34a_100000766097_100000757381 [0,2,0,0,0,0|2,0,0]=4 18120 B13R1.6 CCSCCOc1cccc(=O)[nH]1 34a_100000033347_100000757381 [0,2,0,0,0,0|1,0,1]=4 18121 B13R1.6 CCSCCOc1cccc(c1)Br 34a_100000210342_100000757381 [0,2,0,0,0,0|2,0,0]=4 18122 B13R1.6 CCSCCOc1cccc(c1)Br 62a_100000183150_100000210202 [0,2,0,0,0,0|2,0,0]=4 18123 B13R1.6 CCSCCOc1cccc(c1)Br 62a_100000210202_100000183150 [0,2,0,0,0,0|2,0,0]=4 18124 B13R1.6 CCSCCOc1cccc(c1)Br 7a_100000210342_100000757381 [0,2,0,0,0,0|2,0,0]=4 18125 B13R1.6 CCSCCOc1cccc(c1)C 34a_100000210337_100000757381 [0,2,0,0,0,0|2,0,0]=4 18126 B13R1.6 CCSCCOc1cccc(c1)C 7a_100000210337_100000757381 [0,2,0,0,0,0|2,0,0]=4 18127 B13R1.6 CCSCCOc1cccc(c1)Cl 34a_100000210295_100000757381 [0,2,0,0,0,0|2,0,0]=4 18128 B13R1.6 CCSCCOc1cccc(c1)Cl 62a_100000181161_100000210202 [0,2,0,0,0,0|2,0,0]=4 18129 B13R1.6 CCSCCOc1cccc(c1)Cl 62a_100000210202_100000181161 [0,2,0,0,0,0|2,0,0]=4 18130 B13R1.6 CCSCCOc1cccc(c1)Cl 7a_100000210295_100000757381 [0,2,0,0,0,0|2,0,0]=4 18131 B13R1.6 CCSCCOc1cccc(c1)F 34a_100000210426_100000757381 [0,2,0,0,0,0|2,0,0]=4 18132 B13R1.6 CCSCCOc1cccc(c1)F 62a_100000210202_100000739188 [0,2,0,0,0,0|2,0,0]=4 18133 B13R1.6 CCSCCOc1cccc(c1)F 62a_100000739188_100000210202 [0,2,0,0,0,0|2,0,0]=4 18134 B13R1.6 CCSCCOc1cccc(c1)F 7a_100000210426_100000757381 [0,2,0,0,0,0|2,0,0]=4 18135 B13R1.6 CCSCCOc1cccc(c1)I 34a_100000211634_100000757381 [0,2,0,0,0,0|2,0,0]=4 18136 B13R1.6 CCSCCOc1cccc(c1)I 7a_100000211634_100000757381 [0,2,0,0,0,0|2,0,0]=4 18137 B13R1.6 CCSCCOc1cccc(c1)N 34a_100000210217_100000757381 [0,2,0,0,0,0|2,0,0]=4 18138 B13R1.6 CCSCCOc1cccc(n1)F 34a_100011432558_100000757381 [0,2,0,0,0,0|1,0,0]=3 18139 B13R1.6 CCSCCSc1c[n+](ccn1)[O-] 62a_100000757381_100009880115 [0,2,0,0,0,0|2,0,0]=4 18140 B13R1.6 CCSCCSc1cc(=O)[nH]cn1 62a_100012002517_100000757381 [0,2,0,0,0,0|2,0,0]=4 18141 B13R1.6 CCSCCSc1cc(=O)cc[nH]1 62a_100009817434_100000757381 [0,2,0,0,0,0|1,0,1]=4 18142 B13R1.6 CCSCCSc1cc(ccn1)C 62a_100000750283_100000757381 [0,2,0,0,0,0|1,0,0]=3 18143 B13R1.6 CCSCCSc1cc(ccn1)C 62a_100000757381_100000750283 [0,2,0,0,0,0|1,0,0]=3 18144 B13R1.6 CCSCCSc1cc(ccn1)Cl 62a_100000757381_100010167805 [0,2,0,0,0,0|1,0,0]=3 18145 B13R1.6 CCSCCSc1cc(ccn1)Cl 62a_100010167805_100000757381 [0,2,0,0,0,0|1,0,0]=3 18146 B13R1.6 CCSCCSc1cc(ccn1)F 62a_100000757381_100000764206 [0,2,0,0,0,0|1,0,0]=3 18147 B13R1.6 CCSCCSc1cc(ccn1)F 62a_100000764206_100000757381 [0,2,0,0,0,0|1,0,0]=3 18148 B13R1.6 CCSCCSc1cc(ccn1)N 62a_100000757381_100009814236 [0,2,0,0,0,0|1,0,0]=3 18149 B13R1.6 CCSCCSc1cc(ccn1)N 62a_100009814236_100000757381 [0,2,0,0,0,0|1,0,0]=3 18150 B13R1.6 CCSCCSc1cc(ccn1)O 62a_100000757381_100000762945 [0,2,0,0,0,0|1,0,0]=3 18151 B13R1.6 CCSCCSc1cc(cnn1)C 62a_100000070100_100000757381 [0,2,0,0,0,0|2,0,0]=4 18152 B13R1.6 CCSCCSc1cc(cnn1)C 62a_100000757381_100000070100 [0,2,0,0,0,0|2,0,0]=4 18153 B13R1.6 CCSCCSc1cc(cnn1)N 62a_100000757381_100011996757 [0,2,0,0,0,0|2,0,0]=4 18154 B13R1.6 CCSCCSc1cc(cnn1)N 62a_100011996757_100000757381 [0,2,0,0,0,0|2,0,0]=4 18155 B13R1.6 CCSCCSc1cc(cnn1)O 62a_100000757381_200010734679 [0,2,0,0,0,0|2,0,0]=4 18156 B13R1.6 CCSCCSc1cc(ncn1)C 62a_100000744208_100000757381 [0,2,0,0,0,0|2,0,0]=4 18157 B13R1.6 CCSCCSc1cc(ncn1)C 62a_100000757381_100000744208 [0,2,0,0,0,0|2,0,0]=4 18158 B13R1.6 CCSCCSc1cc(ncn1)Cl 62a_100000757381_100010161198 [0,2,0,0,0,0|2,0,0]=4 18159 B13R1.6 CCSCCSc1cc(ncn1)Cl 62a_100010161198_100000757381 [0,2,0,0,0,0|2,0,0]=4 18160 B13R1.6 CCSCCSc1cc(ncn1)F 62a_100000757381_200009880791 [0,2,0,0,0,0|2,0,0]=4 18161 B13R1.6 CCSCCSc1cc(ncn1)F 62a_200009880791_100000757381 [0,2,0,0,0,0|2,0,0]=4 18162 B13R1.6 CCSCCSc1cc(ncn1)N 62a_100000701291_100000757381 [0,2,0,0,0,0|2,0,0]=4 18163 B13R1.6 CCSCCSc1cc(ncn1)N 62a_100000757381_100000701291 [0,2,0,0,0,0|2,0,0]=4 18164 B13R1.6 CCSCCSc1cc(ncn1)O 62a_100000757381_100000765262 [0,2,0,0,0,0|2,0,0]=4 18165 B13R1.6 CCSCCSc1cc[nH]c(=O)n1 62a_100000757381_200000134032 [0,2,0,0,0,0|2,0,0]=4 18166 B13R1.6 CCSCCSc1cccc(=O)[nH]1 62a_100000757381_100000752884 [0,2,0,0,0,0|1,0,1]=4 18167 B13R1.6 CCSCCSc1cccc(c1)Br 62a_100000691529_100000757381 [0,2,0,0,0,0|2,0,0]=4 18168 B13R1.6 CCSCCSc1cccc(c1)Br 62a_100000757381_100000691529 [0,2,0,0,0,0|2,0,0]=4 18169 B13R1.6 CCSCCSc1cccc(c1)C 62a_100000757381_100011215228 [0,2,0,0,0,0|2,0,0]=4 18170 B13R1.6 CCSCCSc1cccc(c1)C 62a_100011215228_100000757381 [0,2,0,0,0,0|2,0,0]=4 18171 B13R1.6 CCSCCSc1cccc(c1)Cl 62a_100000699651_100000757381 [0,2,0,0,0,0|2,0,0]=4 18172 B13R1.6 CCSCCSc1cccc(c1)Cl 62a_100000757381_100000699651 [0,2,0,0,0,0|2,0,0]=4 18173 B13R1.6 CCSCCSc1cccc(c1)F 62a_100000685547_100000757381 [0,2,0,0,0,0|2,0,0]=4 18174 B13R1.6 CCSCCSc1cccc(c1)F 62a_100000757381_100000685547 [0,2,0,0,0,0|2,0,0]=4 18175 B13R1.6 CCSCCSc1cccc(c1)N 62a_100000210019_100000757381 [0,2,0,0,0,0|2,0,0]=4 18176 B13R1.6 CCSCCSc1cccc(c1)N 62a_100000757381_100000210019 [0,2,0,0,0,0|2,0,0]=4 18177 B13R1.6 CCSCCSc1cccc(c1)O 62a_100000757381_100000211634 [0,2,0,0,0,0|2,0,0]=4 18178 B13R1.6 CCSCCSc1cccc(c1)[S] 62a_100000757381_114929384022 [0,2,0,0,0,0|2,0,0]=4 18179 B13R1.6 CCSCCSc1cccc(c1)[S] 62a_114929384022_100000757381 [0,2,0,0,0,0|2,0,0]=4 18180 B13R1.6 CCSCCSc1cccc(n1)Br 62a_100000684672_100000757381 [0,2,0,0,0,0|1,0,0]=3 18181 B13R1.6 CCSCCSc1cccc(n1)Br 62a_100000757381_100000684672 [0,2,0,0,0,0|1,0,0]=3 18182 B13R1.6 CCSCCSc1cccc(n1)C 62a_100000742759_100000757381 [0,2,0,0,0,0|1,0,0]=3 18183 B13R1.6 CCSCCSc1cccc(n1)C 62a_100000757381_100000742759 [0,2,0,0,0,0|1,0,0]=3 18184 B13R1.6 CCSCCSc1cccc(n1)Cl 62a_100000051397_100000757381 [0,2,0,0,0,0|1,0,0]=3 18185 B13R1.6 CCSCCSc1cccc(n1)Cl 62a_100000757381_100000051397 [0,2,0,0,0,0|1,0,0]=3 18186 B13R1.6 CCSCCSc1cccc(n1)F 62a_100000757381_100009815982 [0,2,0,0,0,0|1,0,0]=3 18187 B13R1.6 CCSCCSc1cccc(n1)F 62a_100009815982_100000757381 [0,2,0,0,0,0|1,0,0]=3 18188 B13R1.6 CCSCCSc1cccc(n1)N 62a_100000740741_100000757381 [0,2,0,0,0,0|1,0,0]=3 18189 B13R1.6 CCSCCSc1cccc(n1)N 62a_100000757381_100000740741 [0,2,0,0,0,0|1,0,0]=3 18190 B13R1.6 CCSCCSc1ccnc(n1)C 62a_100000749937_100000757381 [0,2,0,0,0,0|2,0,0]=4 18191 B13R1.6 CCSCCSc1ccnc(n1)C 62a_100000757381_100000749937 [0,2,0,0,0,0|2,0,0]=4 18192 B13R1.6 CCSCCSc1ccnc(n1)Cl 62a_100000757381_100010154678 [0,2,0,0,0,0|2,0,0]=4 18193 B13R1.6 CCSCCSc1ccnc(n1)Cl 62a_100010154678_100000757381 [0,2,0,0,0,0|2,0,0]=4 18194 B13R1.6 CCSCCSc1ccnc(n1)N 62a_100000055538_100000757381 [0,2,0,0,0,0|2,0,0]=4 18195 B13R1.6 CCSCCSc1ccnc(n1)N 62a_100000757381_100000055538 [0,2,0,0,0,0|2,0,0]=4 18196 B13R1.6 CCSCCSc1cncc(n1)C 62a_100000754123_100000757381 [0,2,0,0,0,0|2,0,0]=4 18197 B13R1.6 CCSCCSc1cncc(n1)C 62a_100000757381_100000754123 [0,2,0,0,0,0|2,0,0]=4 18198 B13R1.6 CCSCCSc1cncc(n1)Cl 62a_100000757381_100010892449 [0,2,0,0,0,0|2,0,0]=4 18199 B13R1.6 CCSCCSc1cncc(n1)Cl 62a_100010892449_100000757381 [0,2,0,0,0,0|2,0,0]=4 18200 B13R1.6 CCSCCSc1cncc(n1)F 62a_100000757381_200009863489 [0,2,0,0,0,0|2,0,0]=4 18201 B13R1.6 CCSCCSc1cncc(n1)F 62a_200009863489_100000757381 [0,2,0,0,0,0|2,0,0]=4 18202 B13R1.6 CCSCCSc1cncc(n1)N 62a_100000747728_100000757381 [0,2,0,0,0,0|2,0,0]=4 18203 B13R1.6 CCSCCSc1cncc(n1)N 62a_100000757381_100000747728 [0,2,0,0,0,0|2,0,0]=4 18204 B13R1.6 CCSCCSc1cncc(n1)O 62a_100000757381_100011269956 [0,2,0,0,0,0|2,0,0]=4 18205 B13R1.6 CCSCCSc1nccc(n1)C 62a_100000757381_100011243806 [0,2,0,0,0,0|2,0,0]=4 18206 B13R1.6 CCSCCSc1nccc(n1)C 62a_100011243806_100000757381 [0,2,0,0,0,0|2,0,0]=4 18207 B13R1.6 CCSCCSc1nccc(n1)N 62a_100000757381_100000757536 [0,2,0,0,0,0|2,0,0]=4 18208 B13R1.6 CCSCCSc1nccc(n1)N 62a_100000757536_100000757381 [0,2,0,0,0,0|2,0,0]=4 18209 B13R1.6 CCSCCSc1nccc(n1)O 62a_100000757381_100011649813 [0,2,0,0,0,0|2,0,0]=4 18210 B13R1.6 CNCCCOc1cccc(c1)C 2230a_106832991635_100000212303 [0,2,0,0,0,0|2,0,0]=4 18211 B13R1.6 CNCCCOc1cccc(c1)C 34a_100102657272_100000212303 [0,2,0,0,0,0|2,0,0]=4 18212 B13R1.6 CNCCCOc1cccc(c1)C 7a_106832991635_100000212303 [0,2,0,0,0,0|2,0,0]=4 18213 B13R1.6 CNCCCOc1cccc(c1)Cl 2230a_100011220311_200000210301 [0,2,0,0,0,0|2,0,0]=4 18214 B13R1.6 CNCCCOc1cccc(c1)Cl 2230a_106832991635_100000742658 [0,2,0,0,0,0|2,0,0]=4 18215 B13R1.6 CNCCCOc1cccc(c1)Cl 34a_100011220311_200000210301 [0,2,0,0,0,0|2,0,0]=4 18216 B13R1.6 CNCCCOc1cccc(c1)Cl 34a_100102657272_100000742658 [0,2,0,0,0,0|2,0,0]=4 18217 B13R1.6 CNCCCOc1cccc(c1)Cl 7a_106832991635_100000742658 [0,2,0,0,0,0|2,0,0]=4 18218 B13R1.6 CNCCCOc1cccc(c1)F 2230a_100102661586_200000210301 [0,2,0,0,0,0|2,0,0]=4 18219 B13R1.6 CNCCCOc1cccc(c1)F 34a_100102661586_200000210301 [0,2,0,0,0,0|2,0,0]=4 18220 B13R1.6 CNCCSCc1cccc(c1)Cl 2230a_200011225440_200000210301 [0,2,0,0,0,0|2,0,0]=4 18221 B13R1.6 CNCCSCc1cccc(c1)Cl 34a_200011225440_200000210301 [0,2,0,0,0,0|2,0,0]=4 18222 B13R1.6 CNCCSCc1cccc(c1)Cl 7a_200011225440_200000210301 [0,2,0,0,0,0|2,0,0]=4 18223 B13R1.6 COCCCNc1c[n+](ccn1)[O-] 27a_100150723488_100009880115 [0,2,0,0,0,0|2,0,0]=4 18224 B13R1.6 COCCCNc1cc(ccn1)F 27a_100150723488_100000764206 [0,2,0,0,0,0|1,0,0]=3 18225 B13R1.6 COCCCNc1cc(cnn1)C 27a_100150723488_100000070100 [0,2,0,0,0,0|2,0,0]=4 18226 B13R1.6 COCCCNc1cc(ncn1)C 27a_100150723488_100000744208 [0,2,0,0,0,0|2,0,0]=4 18227 B13R1.6 COCCCNc1cc(ncn1)F 27a_100150723488_200009880791 [0,2,0,0,0,0|2,0,0]=4 18228 B13R1.6 COCCCNc1cc(ncn1)N 27a_100150723488_100000701291 [0,2,0,0,0,0|2,0,0]=4 18229 B13R1.6 COCCCNc1cc(ncn1)O 271570a_203496583355_100011443300 [0,2,0,0,0,0|2,0,0]=4 18230 B13R1.6 COCCCNc1cc(ncn1)O 27a_100150723488_100000765262 [0,2,0,0,0,0|2,0,0]=4 18231 B13R1.6 COCCCNc1cc[nH]c(=O)n1 27a_100150723488_200000134032 [0,2,0,0,0,0|2,0,0]=4 18232 B13R1.6 COCCCNc1cccc(c1)Br 34a_100000210019_100000740836 [0,2,0,0,0,0|2,0,0]=4 18233 B13R1.6 COCCCNc1cccc(c1)C 2230a_100000188690_100000740836 [0,2,0,0,0,0|2,0,0]=4 18234 B13R1.6 COCCCNc1cccc(c1)C 34a_100000188690_100000740836 [0,2,0,0,0,0|2,0,0]=4 18235 B13R1.6 COCCCNc1cccc(c1)Cl 34a_100000185859_100000740836 [0,2,0,0,0,0|2,0,0]=4 18236 B13R1.6 COCCCNc1cccc(c1)F 34a_100000210047_100000740836 [0,2,0,0,0,0|2,0,0]=4 18237 B13R1.6 COCCCNc1cccc(c1)I 34a_100000211102_100000740836 [0,2,0,0,0,0|2,0,0]=4 18238 B13R1.6 COCCCNc1cccc(c1)O 34a_100000210217_100000740836 [0,2,0,0,0,0|2,0,0]=4 18239 B13R1.6 COCCCNc1cccc(n1)F 27a_100150723488_100009815982 [0,2,0,0,0,0|1,0,0]=3 18240 B13R1.6 COCCCNc1cccc(n1)O 271570a_203496583355_200011960489 [0,2,0,0,0,0|1,0,0]=3 18241 B13R1.6 COCCCNc1ccnc(n1)C 27a_100150723488_100000749937 [0,2,0,0,0,0|2,0,0]=4 18242 B13R1.6 COCCCNc1ccnc(n1)N 27a_100150723488_100000055538 [0,2,0,0,0,0|2,0,0]=4 18243 B13R1.6 COCCCNc1cncc(n1)C 27a_100150723488_100000754123 [0,2,0,0,0,0|2,0,0]=4 18244 B13R1.6 COCCCNc1cncc(n1)Cl 27a_100150723488_100010892449 [0,2,0,0,0,0|2,0,0]=4 18245 B13R1.6 COCCCNc1cncc(n1)F 27a_100150723488_200009863489 [0,2,0,0,0,0|2,0,0]=4 18246 B13R1.6 COCCCNc1cncc(n1)O 271570a_203496583355_200011461485 [0,2,0,0,0,0|2,0,0]=4 18247 B13R1.6 COCCCNc1nccc(n1)C 27a_100150723488_100000750684 [0,2,0,0,0,0|2,0,0]=4 18248 B13R1.6 COCCCNc1nccc(n1)N 27a_100150723488_100000757536 [0,2,0,0,0,0|2,0,0]=4 18249 B13R1.6 COCCCNc1nccc(n1)O 27a_100150723488_100011649813 [0,2,0,0,0,0|2,0,0]=4 18250 B13R1.6 COCCCOc1cc(cnn1)C 34a_100000766097_100000740836 [0,2,0,0,0,0|2,0,0]=4 18251 B13R1.6 COCCCOc1cccc(=O)[nH]1 34a_100000033347_100000740836 [0,2,0,0,0,0|1,0,1]=4 18252 B13R1.6 COCCCOc1cccc(c1)Br 34a_100000210342_100000740836 [0,2,0,0,0,0|2,0,0]=4 18253 B13R1.6 COCCCOc1cccc(c1)Br 7a_100000210342_100000740836 [0,2,0,0,0,0|2,0,0]=4 18254 B13R1.6 COCCCOc1cccc(c1)C 34a_100000210337_100000740836 [0,2,0,0,0,0|2,0,0]=4 18255 B13R1.6 COCCCOc1cccc(c1)C 34a_100138415774_100000212303 [0,2,0,0,0,0|2,0,0]=4 18256 B13R1.6 COCCCOc1cccc(c1)C 7a_100000210337_100000740836 [0,2,0,0,0,0|2,0,0]=4 18257 B13R1.6 COCCCOc1cccc(c1)Cl 34a_100000210295_100000740836 [0,2,0,0,0,0|2,0,0]=4 18258 B13R1.6 COCCCOc1cccc(c1)Cl 34a_100138415774_100000742658 [0,2,0,0,0,0|2,0,0]=4 18259 B13R1.6 COCCCOc1cccc(c1)Cl 7a_100000210295_100000740836 [0,2,0,0,0,0|2,0,0]=4 18260 B13R1.6 COCCCOc1cccc(c1)F 34a_100000210426_100000740836 [0,2,0,0,0,0|2,0,0]=4 18261 B13R1.6 COCCCOc1cccc(c1)F 34a_200011305857_200000210301 [0,2,0,0,0,0|2,0,0]=4 18262 B13R1.6 COCCCOc1cccc(c1)F 7a_100000210426_100000740836 [0,2,0,0,0,0|2,0,0]=4 18263 B13R1.6 COCCCOc1cccc(c1)F 7a_200011305857_200000210301 [0,2,0,0,0,0|2,0,0]=4 18264 B13R1.6 COCCCOc1cccc(c1)I 34a_100000211634_100000740836 [0,2,0,0,0,0|2,0,0]=4 18265 B13R1.6 COCCCOc1cccc(c1)I 7a_100000211634_100000740836 [0,2,0,0,0,0|2,0,0]=4 18266 B13R1.6 COCCCOc1cccc(c1)N 34a_100000210217_100000740836 [0,2,0,0,0,0|2,0,0]=4 18267 B13R1.6 COCCCOc1cccc(n1)F 34a_100011432558_100000740836 [0,2,0,0,0,0|1,0,0]=3 18268 B13R1.6 COCCCSc1c[n+](ccn1)[O-] 62a_100000709357_100009880115 [0,2,0,0,0,0|2,0,0]=4 18269 B13R1.6 COCCCSc1cc(=O)[nH]cn1 62a_100012002517_100000709357 [0,2,0,0,0,0|2,0,0]=4 18270 B13R1.6 COCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000709357 [0,2,0,0,0,0|1,0,1]=4 18271 B13R1.6 COCCCSc1cc(ccn1)C 62a_100000709357_100000750283 [0,2,0,0,0,0|1,0,0]=3 18272 B13R1.6 COCCCSc1cc(ccn1)C 62a_100000750283_100000709357 [0,2,0,0,0,0|1,0,0]=3 18273 B13R1.6 COCCCSc1cc(ccn1)Cl 62a_100000709357_100010167805 [0,2,0,0,0,0|1,0,0]=3 18274 B13R1.6 COCCCSc1cc(ccn1)Cl 62a_100010167805_100000709357 [0,2,0,0,0,0|1,0,0]=3 18275 B13R1.6 COCCCSc1cc(ccn1)F 62a_100000709357_100000764206 [0,2,0,0,0,0|1,0,0]=3 18276 B13R1.6 COCCCSc1cc(ccn1)F 62a_100000764206_100000709357 [0,2,0,0,0,0|1,0,0]=3 18277 B13R1.6 COCCCSc1cc(ccn1)N 62a_100000709357_100009814236 [0,2,0,0,0,0|1,0,0]=3 18278 B13R1.6 COCCCSc1cc(ccn1)N 62a_100009814236_100000709357 [0,2,0,0,0,0|1,0,0]=3 18279 B13R1.6 COCCCSc1cc(ccn1)O 62a_100000709357_100000762945 [0,2,0,0,0,0|1,0,0]=3 18280 B13R1.6 COCCCSc1cc(cnn1)C 62a_100000070100_100000709357 [0,2,0,0,0,0|2,0,0]=4 18281 B13R1.6 COCCCSc1cc(cnn1)C 62a_100000709357_100000070100 [0,2,0,0,0,0|2,0,0]=4 18282 B13R1.6 COCCCSc1cc(cnn1)N 62a_100000709357_100011996757 [0,2,0,0,0,0|2,0,0]=4 18283 B13R1.6 COCCCSc1cc(cnn1)N 62a_100011996757_100000709357 [0,2,0,0,0,0|2,0,0]=4 18284 B13R1.6 COCCCSc1cc(cnn1)O 62a_100000709357_200010734679 [0,2,0,0,0,0|2,0,0]=4 18285 B13R1.6 COCCCSc1cc(ncn1)C 62a_100000709357_100000744208 [0,2,0,0,0,0|2,0,0]=4 18286 B13R1.6 COCCCSc1cc(ncn1)C 62a_100000744208_100000709357 [0,2,0,0,0,0|2,0,0]=4 18287 B13R1.6 COCCCSc1cc(ncn1)Cl 62a_100000709357_100010161198 [0,2,0,0,0,0|2,0,0]=4 18288 B13R1.6 COCCCSc1cc(ncn1)Cl 62a_100010161198_100000709357 [0,2,0,0,0,0|2,0,0]=4 18289 B13R1.6 COCCCSc1cc(ncn1)F 62a_100000709357_200009880791 [0,2,0,0,0,0|2,0,0]=4 18290 B13R1.6 COCCCSc1cc(ncn1)F 62a_200009880791_100000709357 [0,2,0,0,0,0|2,0,0]=4 18291 B13R1.6 COCCCSc1cc(ncn1)N 62a_100000701291_100000709357 [0,2,0,0,0,0|2,0,0]=4 18292 B13R1.6 COCCCSc1cc(ncn1)N 62a_100000709357_100000701291 [0,2,0,0,0,0|2,0,0]=4 18293 B13R1.6 COCCCSc1cc(ncn1)O 62a_100000709357_100000765262 [0,2,0,0,0,0|2,0,0]=4 18294 B13R1.6 COCCCSc1cc[nH]c(=O)n1 62a_100000709357_200000134032 [0,2,0,0,0,0|2,0,0]=4 18295 B13R1.6 COCCCSc1cccc(=O)[nH]1 62a_100000709357_100000752884 [0,2,0,0,0,0|1,0,1]=4 18296 B13R1.6 COCCCSc1cccc(c1)Br 62a_100000691529_100000709357 [0,2,0,0,0,0|2,0,0]=4 18297 B13R1.6 COCCCSc1cccc(c1)Br 62a_100000709357_100000691529 [0,2,0,0,0,0|2,0,0]=4 18298 B13R1.6 COCCCSc1cccc(c1)C 62a_100000709357_100011215228 [0,2,0,0,0,0|2,0,0]=4 18299 B13R1.6 COCCCSc1cccc(c1)C 62a_100011215228_100000709357 [0,2,0,0,0,0|2,0,0]=4 18300 B13R1.6 COCCCSc1cccc(c1)Cl 62a_100000699651_100000709357 [0,2,0,0,0,0|2,0,0]=4 18301 B13R1.6 COCCCSc1cccc(c1)Cl 62a_100000709357_100000699651 [0,2,0,0,0,0|2,0,0]=4 18302 B13R1.6 COCCCSc1cccc(c1)F 62a_100000685547_100000709357 [0,2,0,0,0,0|2,0,0]=4 18303 B13R1.6 COCCCSc1cccc(c1)F 62a_100000709357_100000685547 [0,2,0,0,0,0|2,0,0]=4 18304 B13R1.6 COCCCSc1cccc(c1)N 62a_100000210019_100000709357 [0,2,0,0,0,0|2,0,0]=4 18305 B13R1.6 COCCCSc1cccc(c1)N 62a_100000709357_100000210019 [0,2,0,0,0,0|2,0,0]=4 18306 B13R1.6 COCCCSc1cccc(c1)O 62a_100000709357_100000211634 [0,2,0,0,0,0|2,0,0]=4 18307 B13R1.6 COCCCSc1cccc(c1)[S] 62a_100000709357_114929384022 [0,2,0,0,0,0|2,0,0]=4 18308 B13R1.6 COCCCSc1cccc(c1)[S] 62a_114929384022_100000709357 [0,2,0,0,0,0|2,0,0]=4 18309 B13R1.6 COCCCSc1cccc(n1)Br 62a_100000684672_100000709357 [0,2,0,0,0,0|1,0,0]=3 18310 B13R1.6 COCCCSc1cccc(n1)Br 62a_100000709357_100000684672 [0,2,0,0,0,0|1,0,0]=3 18311 B13R1.6 COCCCSc1cccc(n1)C 62a_100000709357_100000742759 [0,2,0,0,0,0|1,0,0]=3 18312 B13R1.6 COCCCSc1cccc(n1)C 62a_100000742759_100000709357 [0,2,0,0,0,0|1,0,0]=3 18313 B13R1.6 COCCCSc1cccc(n1)Cl 62a_100000051397_100000709357 [0,2,0,0,0,0|1,0,0]=3 18314 B13R1.6 COCCCSc1cccc(n1)Cl 62a_100000709357_100000051397 [0,2,0,0,0,0|1,0,0]=3 18315 B13R1.6 COCCCSc1cccc(n1)F 62a_100000709357_100009815982 [0,2,0,0,0,0|1,0,0]=3 18316 B13R1.6 COCCCSc1cccc(n1)F 62a_100009815982_100000709357 [0,2,0,0,0,0|1,0,0]=3 18317 B13R1.6 COCCCSc1cccc(n1)N 62a_100000709357_100000740741 [0,2,0,0,0,0|1,0,0]=3 18318 B13R1.6 COCCCSc1cccc(n1)N 62a_100000740741_100000709357 [0,2,0,0,0,0|1,0,0]=3 18319 B13R1.6 COCCCSc1ccnc(n1)C 62a_100000709357_100000749937 [0,2,0,0,0,0|2,0,0]=4 18320 B13R1.6 COCCCSc1ccnc(n1)C 62a_100000749937_100000709357 [0,2,0,0,0,0|2,0,0]=4 18321 B13R1.6 COCCCSc1ccnc(n1)Cl 62a_100000709357_100010154678 [0,2,0,0,0,0|2,0,0]=4 18322 B13R1.6 COCCCSc1ccnc(n1)Cl 62a_100010154678_100000709357 [0,2,0,0,0,0|2,0,0]=4 18323 B13R1.6 COCCCSc1ccnc(n1)N 62a_100000055538_100000709357 [0,2,0,0,0,0|2,0,0]=4 18324 B13R1.6 COCCCSc1ccnc(n1)N 62a_100000709357_100000055538 [0,2,0,0,0,0|2,0,0]=4 18325 B13R1.6 COCCCSc1cncc(n1)C 62a_100000709357_100000754123 [0,2,0,0,0,0|2,0,0]=4 18326 B13R1.6 COCCCSc1cncc(n1)C 62a_100000754123_100000709357 [0,2,0,0,0,0|2,0,0]=4 18327 B13R1.6 COCCCSc1cncc(n1)Cl 62a_100000709357_100010892449 [0,2,0,0,0,0|2,0,0]=4 18328 B13R1.6 COCCCSc1cncc(n1)Cl 62a_100010892449_100000709357 [0,2,0,0,0,0|2,0,0]=4 18329 B13R1.6 COCCCSc1cncc(n1)F 62a_100000709357_200009863489 [0,2,0,0,0,0|2,0,0]=4 18330 B13R1.6 COCCCSc1cncc(n1)F 62a_200009863489_100000709357 [0,2,0,0,0,0|2,0,0]=4 18331 B13R1.6 COCCCSc1cncc(n1)N 62a_100000709357_100000747728 [0,2,0,0,0,0|2,0,0]=4 18332 B13R1.6 COCCCSc1cncc(n1)N 62a_100000747728_100000709357 [0,2,0,0,0,0|2,0,0]=4 18333 B13R1.6 COCCCSc1cncc(n1)O 62a_100000709357_100011269956 [0,2,0,0,0,0|2,0,0]=4 18334 B13R1.6 COCCCSc1nccc(n1)C 62a_100000709357_100011243806 [0,2,0,0,0,0|2,0,0]=4 18335 B13R1.6 COCCCSc1nccc(n1)C 62a_100011243806_100000709357 [0,2,0,0,0,0|2,0,0]=4 18336 B13R1.6 COCCCSc1nccc(n1)N 62a_100000709357_100000757536 [0,2,0,0,0,0|2,0,0]=4 18337 B13R1.6 COCCCSc1nccc(n1)N 62a_100000757536_100000709357 [0,2,0,0,0,0|2,0,0]=4 18338 B13R1.6 COCCCSc1nccc(n1)O 62a_100000709357_100011649813 [0,2,0,0,0,0|2,0,0]=4 18339 B13R1.6 COCCNCc1cc(ccn1)Br 2230a_100000209980_100010173614 [0,2,0,0,0,0|1,0,0]=3 18340 B13R1.6 COCCNCc1cc(ccn1)Br 270004a_100000209980_100009818557 [0,2,0,0,0,0|1,0,0]=3 18341 B13R1.6 COCCNCc1cc(ccn1)C 207a_100000209980_100011361488 [0,2,0,0,0,0|1,0,0]=3 18342 B13R1.6 COCCNCc1cc(ccn1)C 2230a_100000209980_100000718516 [0,2,0,0,0,0|1,0,0]=3 18343 B13R1.6 COCCNCc1cc(ccn1)C 270004a_100000209980_100011361488 [0,2,0,0,0,0|1,0,0]=3 18344 B13R1.6 COCCNCc1cc(ccn1)Cl 2230a_100000209980_100016988179 [0,2,0,0,0,0|1,0,0]=3 18345 B13R1.6 COCCNCc1cc(ccn1)Cl 270004a_100000209980_100011998288 [0,2,0,0,0,0|1,0,0]=3 18346 B13R1.6 COCCNCc1cccc(=O)[nH]1 207a_100000209980_100011935257 [0,2,0,0,0,0|1,0,1]=4 18347 B13R1.6 COCCNCc1cccc(=O)[nH]1 2230a_100000696482_100011201679 [0,2,0,0,0,0|1,0,1]=4 18348 B13R1.6 COCCNCc1cccc(c1)Br 207a_100000209980_100000210085 [0,2,0,0,0,0|2,0,0]=4 18349 B13R1.6 COCCNCc1cccc(c1)Br 2230a_100000174977_100011201679 [0,2,0,0,0,0|2,0,0]=4 18350 B13R1.6 COCCNCc1cccc(c1)Br 2230a_100000209980_100000698116 [0,2,0,0,0,0|2,0,0]=4 18351 B13R1.6 COCCNCc1cccc(c1)Br 270004a_100000209980_100000210085 [0,2,0,0,0,0|2,0,0]=4 18352 B13R1.6 COCCNCc1cccc(c1)Br 34a_100000174977_100011201679 [0,2,0,0,0,0|2,0,0]=4 18353 B13R1.6 COCCNCc1cccc(c1)C 207a_100000209980_100000211157 [0,2,0,0,0,0|2,0,0]=4 18354 B13R1.6 COCCNCc1cccc(c1)C 2230a_100000185548_100011201679 [0,2,0,0,0,0|2,0,0]=4 18355 B13R1.6 COCCNCc1cccc(c1)C 2230a_100000209980_100000211840 [0,2,0,0,0,0|2,0,0]=4 18356 B13R1.6 COCCNCc1cccc(c1)C 270004a_100000209980_100000211157 [0,2,0,0,0,0|2,0,0]=4 18357 B13R1.6 COCCNCc1cccc(c1)C 34a_100000185548_100011201679 [0,2,0,0,0,0|2,0,0]=4 18358 B13R1.6 COCCNCc1cccc(c1)Cl 207a_100000209980_100000210801 [0,2,0,0,0,0|2,0,0]=4 18359 B13R1.6 COCCNCc1cccc(c1)Cl 2230a_100000174878_100011201679 [0,2,0,0,0,0|2,0,0]=4 18360 B13R1.6 COCCNCc1cccc(c1)Cl 2230a_100000209980_100000181238 [0,2,0,0,0,0|2,0,0]=4 18361 B13R1.6 COCCNCc1cccc(c1)Cl 270004a_100000209980_100000210801 [0,2,0,0,0,0|2,0,0]=4 18362 B13R1.6 COCCNCc1cccc(c1)Cl 34a_100000174878_100011201679 [0,2,0,0,0,0|2,0,0]=4 18363 B13R1.6 COCCNCc1cccc(c1)Cl 34a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 18364 B13R1.6 COCCNCc1cccc(c1)F 207a_100000209980_100000210812 [0,2,0,0,0,0|2,0,0]=4 18365 B13R1.6 COCCNCc1cccc(c1)F 2230a_100000174948_100011201679 [0,2,0,0,0,0|2,0,0]=4 18366 B13R1.6 COCCNCc1cccc(c1)F 2230a_100000209980_100000230114 [0,2,0,0,0,0|2,0,0]=4 18367 B13R1.6 COCCNCc1cccc(c1)F 270004a_100000209980_100000210812 [0,2,0,0,0,0|2,0,0]=4 18368 B13R1.6 COCCNCc1cccc(c1)F 34a_100000174948_100011201679 [0,2,0,0,0,0|2,0,0]=4 18369 B13R1.6 COCCNCc1cccc(c1)I 207a_100000209980_100000014684 [0,2,0,0,0,0|2,0,0]=4 18370 B13R1.6 COCCNCc1cccc(c1)I 2230a_100000106179_100011201679 [0,2,0,0,0,0|2,0,0]=4 18371 B13R1.6 COCCNCc1cccc(c1)I 2230a_100000209980_100011218688 [0,2,0,0,0,0|2,0,0]=4 18372 B13R1.6 COCCNCc1cccc(c1)I 270004a_100000209980_100000014684 [0,2,0,0,0,0|2,0,0]=4 18373 B13R1.6 COCCNCc1cccc(c1)I 34a_100000106179_100011201679 [0,2,0,0,0,0|2,0,0]=4 18374 B13R1.6 COCCNCc1cccc(c1)O 207a_100000209980_100000188321 [0,2,0,0,0,0|2,0,0]=4 18375 B13R1.6 COCCNCc1cccc(c1)O 2230a_100000209980_100011660834 [0,2,0,0,0,0|2,0,0]=4 18376 B13R1.6 COCCNCc1cccc(c1)O 2230a_100000743036_100011201679 [0,2,0,0,0,0|2,0,0]=4 18377 B13R1.6 COCCNCc1cccc(c1)O 270004a_100000209980_100000188321 [0,2,0,0,0,0|2,0,0]=4 18378 B13R1.6 COCCNCc1cccc(c1)O 34a_100000743036_100011201679 [0,2,0,0,0,0|2,0,0]=4 18379 B13R1.6 COCCNCc1cccc(n1)Br 2230a_100000209980_100009889011 [0,2,0,0,0,0|1,0,0]=3 18380 B13R1.6 COCCNCc1cccc(n1)Br 2230a_100016987751_100011201679 [0,2,0,0,0,0|1,0,0]=3 18381 B13R1.6 COCCNCc1cccc(n1)Br 270004a_100000209980_100000688028 [0,2,0,0,0,0|1,0,0]=3 18382 B13R1.6 COCCNCc1cccc(n1)C 207a_100000209980_100011215050 [0,2,0,0,0,0|1,0,0]=3 18383 B13R1.6 COCCNCc1cccc(n1)C 2230a_100000209980_100000757606 [0,2,0,0,0,0|1,0,0]=3 18384 B13R1.6 COCCNCc1cccc(n1)C 270004a_100000209980_100011215050 [0,2,0,0,0,0|1,0,0]=3 18385 B13R1.6 COCCNCc1cccc(n1)C 34a_100000701342_100011201679 [0,2,0,0,0,0|1,0,0]=3 18386 B13R1.6 COCCNCc1cccc(n1)Cl 2230a_100000209980_100000086093 [0,2,0,0,0,0|1,0,0]=3 18387 B13R1.6 COCCNCc1cccc(n1)Cl 2230a_100016990191_100011201679 [0,2,0,0,0,0|1,0,0]=3 18388 B13R1.6 COCCNCc1cccc(n1)Cl 270004a_100000209980_100011361687 [0,2,0,0,0,0|1,0,0]=3 18389 B13R1.6 COCCNCc1cccc(n1)F 2230a_100000209980_100009819644 [0,2,0,0,0,0|1,0,0]=3 18390 B13R1.6 COCCNCc1cccc(n1)F 2230a_100015188798_100011201679 [0,2,0,0,0,0|1,0,0]=3 18391 B13R1.6 COCCNCc1cccc(n1)F 270004a_100000209980_100000050434 [0,2,0,0,0,0|1,0,0]=3 18392 B13R1.6 COCCNCc1cccc(n1)F 34a_100015188798_100011201679 [0,2,0,0,0,0|1,0,0]=3 18393 B13R1.6 COCCNCc1ccnc(n1)C 270004a_100000209980_100011361539 [0,2,0,0,0,0|2,0,0]=4 18394 B13R1.6 COCCNCc1ccnc(n1)Cl 2230a_100000209980_100000099655 [0,2,0,0,0,0|2,0,0]=4 18395 B13R1.6 COCCNCc1cncc(n1)C 207a_100000209980_100000100294 [0,2,0,0,0,0|2,0,0]=4 18396 B13R1.6 COCCNCc1cncc(n1)C 270004a_100000209980_100000100294 [0,2,0,0,0,0|2,0,0]=4 18397 B13R1.6 COCCNCc1nccc(n1)C 2230a_100015186494_100011201679 [0,2,0,0,0,0|2,0,0]=4 18398 B13R1.6 COCCOCc1cc(ccn1)Br 34a_100000210237_100010173614 [0,2,0,0,0,0|1,0,0]=3 18399 B13R1.6 COCCOCc1cc(ccn1)C 34a_100000210237_100000718516 [0,2,0,0,0,0|1,0,0]=3 18400 B13R1.6 COCCOCc1cc(ccn1)C 34a_100011998357_100011201679 [0,2,0,0,0,0|1,0,0]=3 18401 B13R1.6 COCCOCc1cc(ccn1)Cl 34a_100000210237_100016988179 [0,2,0,0,0,0|1,0,0]=3 18402 B13R1.6 COCCOCc1cc(ccn1)Cl 34a_100000748867_100011201679 [0,2,0,0,0,0|1,0,0]=3 18403 B13R1.6 COCCOCc1cc(ccn1)N 34a_100000692640_100011201679 [0,2,0,0,0,0|1,0,0]=3 18404 B13R1.6 COCCOCc1cc(cnn1)C 34a_100016212594_100011201679 [0,2,0,0,0,0|2,0,0]=4 18405 B13R1.6 COCCOCc1cccc(c1)Br 34a_100000210237_100000698116 [0,2,0,0,0,0|2,0,0]=4 18406 B13R1.6 COCCOCc1cccc(c1)Br 34a_100000687537_100011201679 [0,2,0,0,0,0|2,0,0]=4 18407 B13R1.6 COCCOCc1cccc(c1)Br 7a_100000687537_100000233755 [0,2,0,0,0,0|2,0,0]=4 18408 B13R1.6 COCCOCc1cccc(c1)C 34a_100000210237_100000211840 [0,2,0,0,0,0|2,0,0]=4 18409 B13R1.6 COCCOCc1cccc(c1)C 34a_100011217746_100011201679 [0,2,0,0,0,0|2,0,0]=4 18410 B13R1.6 COCCOCc1cccc(c1)C 7a_100011217746_100000233755 [0,2,0,0,0,0|2,0,0]=4 18411 B13R1.6 COCCOCc1cccc(c1)Cl 34a_100000210237_100000187163 [0,2,0,0,0,0|2,0,0]=4 18412 B13R1.6 COCCOCc1cccc(c1)Cl 34a_100000241301_100011201679 [0,2,0,0,0,0|2,0,0]=4 18413 B13R1.6 COCCOCc1cccc(c1)Cl 7a_100000241301_100000233755 [0,2,0,0,0,0|2,0,0]=4 18414 B13R1.6 COCCOCc1cccc(c1)F 34a_100000210237_100000187166 [0,2,0,0,0,0|2,0,0]=4 18415 B13R1.6 COCCOCc1cccc(c1)F 34a_100000210976_100011201679 [0,2,0,0,0,0|2,0,0]=4 18416 B13R1.6 COCCOCc1cccc(c1)F 7a_100000210976_100000233755 [0,2,0,0,0,0|2,0,0]=4 18417 B13R1.6 COCCOCc1cccc(c1)I 34a_100000210237_100011218688 [0,2,0,0,0,0|2,0,0]=4 18418 B13R1.6 COCCOCc1cccc(c1)I 34a_100011215336_100011201679 [0,2,0,0,0,0|2,0,0]=4 18419 B13R1.6 COCCOCc1cccc(c1)I 7a_100011215336_100000233755 [0,2,0,0,0,0|2,0,0]=4 18420 B13R1.6 COCCOCc1cccc(c1)N 34a_100000211919_100011201679 [0,2,0,0,0,0|2,0,0]=4 18421 B13R1.6 COCCOCc1cccc(c1)O 271570a_203496583355_100000692933 [0,2,0,0,0,0|2,0,0]=4 18422 B13R1.6 COCCOCc1cccc(c1)O 34a_100000210237_100011660834 [0,2,0,0,0,0|2,0,0]=4 18423 B13R1.6 COCCOCc1cccc(n1)Br 34a_100000210237_100009889011 [0,2,0,0,0,0|1,0,0]=3 18424 B13R1.6 COCCOCc1cccc(n1)Br 34a_100000694195_100011201679 [0,2,0,0,0,0|1,0,0]=3 18425 B13R1.6 COCCOCc1cccc(n1)C 34a_100000210237_100000757606 [0,2,0,0,0,0|1,0,0]=3 18426 B13R1.6 COCCOCc1cccc(n1)C 34a_100000690600_100011201679 [0,2,0,0,0,0|1,0,0]=3 18427 B13R1.6 COCCOCc1cccc(n1)Cl 34a_100000210237_100000086093 [0,2,0,0,0,0|1,0,0]=3 18428 B13R1.6 COCCOCc1cccc(n1)Cl 34a_100011998359_100011201679 [0,2,0,0,0,0|1,0,0]=3 18429 B13R1.6 COCCOCc1cccc(n1)F 34a_100000086748_100011201679 [0,2,0,0,0,0|1,0,0]=3 18430 B13R1.6 COCCOCc1cccc(n1)F 34a_100000210237_100009819644 [0,2,0,0,0,0|1,0,0]=3 18431 B13R1.6 COCCOCc1ccnc(n1)Cl 34a_100000210237_100000099655 [0,2,0,0,0,0|2,0,0]=4 18432 B13R1.6 COCCSCc1cc(ccn1)Br 62a_100000233755_100010173614 [0,2,0,0,0,0|1,0,0]=3 18433 B13R1.6 COCCSCc1cc(ccn1)Br 62a_100010173614_100000233755 [0,2,0,0,0,0|1,0,0]=3 18434 B13R1.6 COCCSCc1cc(ccn1)C 62a_100000233755_100000718516 [0,2,0,0,0,0|1,0,0]=3 18435 B13R1.6 COCCSCc1cc(ccn1)C 62a_100000718516_100000233755 [0,2,0,0,0,0|1,0,0]=3 18436 B13R1.6 COCCSCc1cc(ccn1)Cl 62a_100000233755_100016988179 [0,2,0,0,0,0|1,0,0]=3 18437 B13R1.6 COCCSCc1cc(ccn1)Cl 62a_100016988179_100000233755 [0,2,0,0,0,0|1,0,0]=3 18438 B13R1.6 COCCSCc1cccc(c1)Br 62a_100000211773_100000233755 [0,2,0,0,0,0|2,0,0]=4 18439 B13R1.6 COCCSCc1cccc(c1)Br 62a_100000233755_100000211773 [0,2,0,0,0,0|2,0,0]=4 18440 B13R1.6 COCCSCc1cccc(c1)C 34a_100011212950_200000210301 [0,2,0,0,0,0|2,0,0]=4 18441 B13R1.6 COCCSCc1cccc(c1)C 62a_100000211840_100000233755 [0,2,0,0,0,0|2,0,0]=4 18442 B13R1.6 COCCSCc1cccc(c1)C 62a_100000233755_100000211840 [0,2,0,0,0,0|2,0,0]=4 18443 B13R1.6 COCCSCc1cccc(c1)C 7a_100011212950_200000210301 [0,2,0,0,0,0|2,0,0]=4 18444 B13R1.6 COCCSCc1cccc(c1)Cl 62a_100000187163_100000233755 [0,2,0,0,0,0|2,0,0]=4 18445 B13R1.6 COCCSCc1cccc(c1)Cl 62a_100000233755_100000187163 [0,2,0,0,0,0|2,0,0]=4 18446 B13R1.6 COCCSCc1cccc(c1)F 34a_100011212928_200000210301 [0,2,0,0,0,0|2,0,0]=4 18447 B13R1.6 COCCSCc1cccc(c1)F 62a_100000230114_100000233755 [0,2,0,0,0,0|2,0,0]=4 18448 B13R1.6 COCCSCc1cccc(c1)F 62a_100000233755_100000230114 [0,2,0,0,0,0|2,0,0]=4 18449 B13R1.6 COCCSCc1cccc(c1)F 7a_100011212928_200000210301 [0,2,0,0,0,0|2,0,0]=4 18450 B13R1.6 COCCSCc1cccc(c1)I 62a_100000233755_100011218688 [0,2,0,0,0,0|2,0,0]=4 18451 B13R1.6 COCCSCc1cccc(c1)I 62a_100011218688_100000233755 [0,2,0,0,0,0|2,0,0]=4 18452 B13R1.6 COCCSCc1cccc(c1)O 62a_100000233755_100011660834 [0,2,0,0,0,0|2,0,0]=4 18453 B13R1.6 COCCSCc1cccc(c1)O 62a_100011660834_100000233755 [0,2,0,0,0,0|2,0,0]=4 18454 B13R1.6 COCCSCc1cccc(n1)Br 62a_100000233755_100009889011 [0,2,0,0,0,0|1,0,0]=3 18455 B13R1.6 COCCSCc1cccc(n1)Br 62a_100009889011_100000233755 [0,2,0,0,0,0|1,0,0]=3 18456 B13R1.6 COCCSCc1cccc(n1)C 62a_100000233755_100000757606 [0,2,0,0,0,0|1,0,0]=3 18457 B13R1.6 COCCSCc1cccc(n1)C 62a_100000757606_100000233755 [0,2,0,0,0,0|1,0,0]=3 18458 B13R1.6 COCCSCc1cccc(n1)Cl 62a_100000086093_100000233755 [0,2,0,0,0,0|1,0,0]=3 18459 B13R1.6 COCCSCc1cccc(n1)Cl 62a_100000233755_100000086093 [0,2,0,0,0,0|1,0,0]=3 18460 B13R1.6 COCCSCc1cccc(n1)F 62a_100000233755_100009819644 [0,2,0,0,0,0|1,0,0]=3 18461 B13R1.6 COCCSCc1cccc(n1)F 62a_100009819644_100000233755 [0,2,0,0,0,0|1,0,0]=3 18462 B13R1.6 COCCSCc1ccnc(n1)Cl 62a_100000099655_100000233755 [0,2,0,0,0,0|2,0,0]=4 18463 B13R1.6 COCCSCc1ccnc(n1)Cl 62a_100000233755_100000099655 [0,2,0,0,0,0|2,0,0]=4 18464 B13R1.6 COCNCCc1cccc(c1)Br 2230a_100011207229_100000766300 [0,2,0,0,0,0|2,0,0]=4 18465 B13R1.6 COCNCCc1cccc(c1)C 2230a_100000749837_100000766300 [0,2,0,0,0,0|2,0,0]=4 18466 B13R1.6 COCNCCc1cccc(c1)Cl 2230a_100000185263_100000766300 [0,2,0,0,0,0|2,0,0]=4 18467 B13R1.6 COCNCCc1cccc(c1)F 2230a_100000205154_100000766300 [0,2,0,0,0,0|2,0,0]=4 18468 B13R1.6 COCNCCc1cccc(c1)O 2230a_100000747277_100000766300 [0,2,0,0,0,0|2,0,0]=4 18469 B13R1.6 COCNCCc1cccc(n1)C 2230a_100011824523_100000766300 [0,2,0,0,0,0|1,0,0]=3 18470 B13R1.6 COCSCCc1cccc(c1)Br 62a_100000766300_100011740638 [0,2,0,0,0,0|2,0,0]=4 18471 B13R1.6 COCSCCc1cccc(c1)Br 62a_100011740638_100000766300 [0,2,0,0,0,0|2,0,0]=4 18472 B13R1.6 COCSCCc1cccc(c1)C 62a_100000766300_100011713685 [0,2,0,0,0,0|2,0,0]=4 18473 B13R1.6 COCSCCc1cccc(c1)C 62a_100011713685_100000766300 [0,2,0,0,0,0|2,0,0]=4 18474 B13R1.6 COCSCCc1cccc(c1)Cl 62a_100000766300_100011713710 [0,2,0,0,0,0|2,0,0]=4 18475 B13R1.6 COCSCCc1cccc(c1)Cl 62a_100011713710_100000766300 [0,2,0,0,0,0|2,0,0]=4 18476 B13R1.6 COCSCCc1cccc(c1)F 62a_100000766300_100011217235 [0,2,0,0,0,0|2,0,0]=4 18477 B13R1.6 COCSCCc1cccc(c1)F 62a_100011217235_100000766300 [0,2,0,0,0,0|2,0,0]=4 18478 B13R1.6 CSCCCNc1c[n+](ccn1)[O-] 27a_100000749238_100009880115 [0,2,0,0,0,0|2,0,0]=4 18479 B13R1.6 CSCCCNc1cc(ccn1)F 27a_100000749238_100000764206 [0,2,0,0,0,0|1,0,0]=3 18480 B13R1.6 CSCCCNc1cc(cnn1)C 27a_100000749238_100000070100 [0,2,0,0,0,0|2,0,0]=4 18481 B13R1.6 CSCCCNc1cc(ncn1)C 27a_100000749238_100000744208 [0,2,0,0,0,0|2,0,0]=4 18482 B13R1.6 CSCCCNc1cc(ncn1)F 27a_100000749238_200009880791 [0,2,0,0,0,0|2,0,0]=4 18483 B13R1.6 CSCCCNc1cc(ncn1)N 27a_100000749238_100000701291 [0,2,0,0,0,0|2,0,0]=4 18484 B13R1.6 CSCCCNc1cc(ncn1)O 27a_100000749238_100000765262 [0,2,0,0,0,0|2,0,0]=4 18485 B13R1.6 CSCCCNc1cc[nH]c(=O)n1 27a_100000749238_200000134032 [0,2,0,0,0,0|2,0,0]=4 18486 B13R1.6 CSCCCNc1cccc(n1)F 27a_100000749238_100009815982 [0,2,0,0,0,0|1,0,0]=3 18487 B13R1.6 CSCCCNc1ccnc(n1)C 27a_100000749238_100000749937 [0,2,0,0,0,0|2,0,0]=4 18488 B13R1.6 CSCCCNc1ccnc(n1)N 27a_100000749238_100000055538 [0,2,0,0,0,0|2,0,0]=4 18489 B13R1.6 CSCCCNc1cncc(n1)C 27a_100000749238_100000754123 [0,2,0,0,0,0|2,0,0]=4 18490 B13R1.6 CSCCCNc1cncc(n1)Cl 27a_100000749238_100010892449 [0,2,0,0,0,0|2,0,0]=4 18491 B13R1.6 CSCCCNc1cncc(n1)F 27a_100000749238_200009863489 [0,2,0,0,0,0|2,0,0]=4 18492 B13R1.6 CSCCCNc1nccc(n1)C 27a_100000749238_100000750684 [0,2,0,0,0,0|2,0,0]=4 18493 B13R1.6 CSCCCNc1nccc(n1)N 27a_100000749238_100000757536 [0,2,0,0,0,0|2,0,0]=4 18494 B13R1.6 CSCCCNc1nccc(n1)O 27a_100000749238_100011649813 [0,2,0,0,0,0|2,0,0]=4 18495 B13R1.6 CSCCCOc1cccc(c1)C 62a_200000210301_100000212303 [0,2,0,0,0,0|2,0,0]=4 18496 B13R1.6 CSCCCOc1cccc(c1)Cl 62a_100000742658_200000210301 [0,2,0,0,0,0|2,0,0]=4 18497 B13R1.6 CSCCCOc1cccc(c1)Cl 62a_200000210301_100000742658 [0,2,0,0,0,0|2,0,0]=4 18498 B13R1.6 CSCCNCc1cc(ccn1)Br 2230a_100020590264_100010173614 [0,2,0,0,0,0|1,0,0]=3 18499 B13R1.6 CSCCNCc1cc(ccn1)Br 270004a_100020590264_100009818557 [0,2,0,0,0,0|1,0,0]=3 18500 B13R1.6 CSCCNCc1cc(ccn1)C 207a_100020590264_100011361488 [0,2,0,0,0,0|1,0,0]=3 18501 B13R1.6 CSCCNCc1cc(ccn1)C 2230a_100020590264_100000718516 [0,2,0,0,0,0|1,0,0]=3 18502 B13R1.6 CSCCNCc1cc(ccn1)C 270004a_100020590264_100011361488 [0,2,0,0,0,0|1,0,0]=3 18503 B13R1.6 CSCCNCc1cc(ccn1)Cl 2230a_100020590264_100016988179 [0,2,0,0,0,0|1,0,0]=3 18504 B13R1.6 CSCCNCc1cc(ccn1)Cl 270004a_100020590264_100011998288 [0,2,0,0,0,0|1,0,0]=3 18505 B13R1.6 CSCCNCc1cccc(=O)[nH]1 207a_100020590264_100011935257 [0,2,0,0,0,0|1,0,1]=4 18506 B13R1.6 CSCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000751147 [0,2,0,0,0,0|1,0,1]=4 18507 B13R1.6 CSCCNCc1cccc(c1)Br 207a_100020590264_100000210085 [0,2,0,0,0,0|2,0,0]=4 18508 B13R1.6 CSCCNCc1cccc(c1)Br 2230a_100000174977_100000751147 [0,2,0,0,0,0|2,0,0]=4 18509 B13R1.6 CSCCNCc1cccc(c1)Br 2230a_100020590264_100000698116 [0,2,0,0,0,0|2,0,0]=4 18510 B13R1.6 CSCCNCc1cccc(c1)Br 270004a_100020590264_100000210085 [0,2,0,0,0,0|2,0,0]=4 18511 B13R1.6 CSCCNCc1cccc(c1)Br 34a_100000174977_100000212216 [0,2,0,0,0,0|2,0,0]=4 18512 B13R1.6 CSCCNCc1cccc(c1)C 207a_100020590264_100000211157 [0,2,0,0,0,0|2,0,0]=4 18513 B13R1.6 CSCCNCc1cccc(c1)C 2230a_100000185548_100000751147 [0,2,0,0,0,0|2,0,0]=4 18514 B13R1.6 CSCCNCc1cccc(c1)C 2230a_100020590264_100000211840 [0,2,0,0,0,0|2,0,0]=4 18515 B13R1.6 CSCCNCc1cccc(c1)C 270004a_100020590264_100000211157 [0,2,0,0,0,0|2,0,0]=4 18516 B13R1.6 CSCCNCc1cccc(c1)C 34a_100000185548_100000212216 [0,2,0,0,0,0|2,0,0]=4 18517 B13R1.6 CSCCNCc1cccc(c1)Cl 207a_100020590264_100000210801 [0,2,0,0,0,0|2,0,0]=4 18518 B13R1.6 CSCCNCc1cccc(c1)Cl 2230a_100000174878_100000751147 [0,2,0,0,0,0|2,0,0]=4 18519 B13R1.6 CSCCNCc1cccc(c1)Cl 2230a_100020590264_100000181238 [0,2,0,0,0,0|2,0,0]=4 18520 B13R1.6 CSCCNCc1cccc(c1)Cl 270004a_100020590264_100000210801 [0,2,0,0,0,0|2,0,0]=4 18521 B13R1.6 CSCCNCc1cccc(c1)Cl 34a_100000174878_100000212216 [0,2,0,0,0,0|2,0,0]=4 18522 B13R1.6 CSCCNCc1cccc(c1)F 207a_100020590264_100000210812 [0,2,0,0,0,0|2,0,0]=4 18523 B13R1.6 CSCCNCc1cccc(c1)F 2230a_100000174948_100000751147 [0,2,0,0,0,0|2,0,0]=4 18524 B13R1.6 CSCCNCc1cccc(c1)F 2230a_100020590264_100000230114 [0,2,0,0,0,0|2,0,0]=4 18525 B13R1.6 CSCCNCc1cccc(c1)F 270004a_100020590264_100000210812 [0,2,0,0,0,0|2,0,0]=4 18526 B13R1.6 CSCCNCc1cccc(c1)F 34a_100000174948_100000212216 [0,2,0,0,0,0|2,0,0]=4 18527 B13R1.6 CSCCNCc1cccc(c1)I 207a_100020590264_100000014684 [0,2,0,0,0,0|2,0,0]=4 18528 B13R1.6 CSCCNCc1cccc(c1)I 2230a_100000106179_100000751147 [0,2,0,0,0,0|2,0,0]=4 18529 B13R1.6 CSCCNCc1cccc(c1)I 2230a_100020590264_100011218688 [0,2,0,0,0,0|2,0,0]=4 18530 B13R1.6 CSCCNCc1cccc(c1)I 270004a_100020590264_100000014684 [0,2,0,0,0,0|2,0,0]=4 18531 B13R1.6 CSCCNCc1cccc(c1)I 34a_100000106179_100000212216 [0,2,0,0,0,0|2,0,0]=4 18532 B13R1.6 CSCCNCc1cccc(c1)O 207a_100020590264_100000188321 [0,2,0,0,0,0|2,0,0]=4 18533 B13R1.6 CSCCNCc1cccc(c1)O 2230a_100000743036_100000751147 [0,2,0,0,0,0|2,0,0]=4 18534 B13R1.6 CSCCNCc1cccc(c1)O 2230a_100020590264_100011660834 [0,2,0,0,0,0|2,0,0]=4 18535 B13R1.6 CSCCNCc1cccc(c1)O 270004a_100020590264_100000188321 [0,2,0,0,0,0|2,0,0]=4 18536 B13R1.6 CSCCNCc1cccc(c1)O 34a_100000743036_100000212216 [0,2,0,0,0,0|2,0,0]=4 18537 B13R1.6 CSCCNCc1cccc(n1)Br 2230a_100016987751_100000751147 [0,2,0,0,0,0|1,0,0]=3 18538 B13R1.6 CSCCNCc1cccc(n1)Br 2230a_100020590264_100009889011 [0,2,0,0,0,0|1,0,0]=3 18539 B13R1.6 CSCCNCc1cccc(n1)Br 270004a_100020590264_100000688028 [0,2,0,0,0,0|1,0,0]=3 18540 B13R1.6 CSCCNCc1cccc(n1)C 207a_100020590264_100011215050 [0,2,0,0,0,0|1,0,0]=3 18541 B13R1.6 CSCCNCc1cccc(n1)C 2230a_100020590264_100000757606 [0,2,0,0,0,0|1,0,0]=3 18542 B13R1.6 CSCCNCc1cccc(n1)C 270004a_100020590264_100011215050 [0,2,0,0,0,0|1,0,0]=3 18543 B13R1.6 CSCCNCc1cccc(n1)C 34a_100000701342_100000212216 [0,2,0,0,0,0|1,0,0]=3 18544 B13R1.6 CSCCNCc1cccc(n1)Cl 2230a_100016990191_100000751147 [0,2,0,0,0,0|1,0,0]=3 18545 B13R1.6 CSCCNCc1cccc(n1)Cl 2230a_100020590264_100000086093 [0,2,0,0,0,0|1,0,0]=3 18546 B13R1.6 CSCCNCc1cccc(n1)Cl 270004a_100020590264_100011361687 [0,2,0,0,0,0|1,0,0]=3 18547 B13R1.6 CSCCNCc1cccc(n1)F 2230a_100015188798_100000751147 [0,2,0,0,0,0|1,0,0]=3 18548 B13R1.6 CSCCNCc1cccc(n1)F 2230a_100020590264_100009819644 [0,2,0,0,0,0|1,0,0]=3 18549 B13R1.6 CSCCNCc1cccc(n1)F 270004a_100020590264_100000050434 [0,2,0,0,0,0|1,0,0]=3 18550 B13R1.6 CSCCNCc1cccc(n1)F 34a_100015188798_100000212216 [0,2,0,0,0,0|1,0,0]=3 18551 B13R1.6 CSCCNCc1ccnc(n1)C 270004a_100020590264_100011361539 [0,2,0,0,0,0|2,0,0]=4 18552 B13R1.6 CSCCNCc1ccnc(n1)Cl 2230a_100020590264_100000099655 [0,2,0,0,0,0|2,0,0]=4 18553 B13R1.6 CSCCNCc1cncc(n1)C 207a_100020590264_100000100294 [0,2,0,0,0,0|2,0,0]=4 18554 B13R1.6 CSCCNCc1cncc(n1)C 270004a_100020590264_100000100294 [0,2,0,0,0,0|2,0,0]=4 18555 B13R1.6 CSCCNCc1nccc(n1)C 2230a_100015186494_100000751147 [0,2,0,0,0,0|2,0,0]=4 18556 B13R1.6 CSCCOCc1cc(ccn1)Br 34a_100000230434_100010173614 [0,2,0,0,0,0|1,0,0]=3 18557 B13R1.6 CSCCOCc1cc(ccn1)Br 7a_100000230434_100010173614 [0,2,0,0,0,0|1,0,0]=3 18558 B13R1.6 CSCCOCc1cc(ccn1)C 34a_100000230434_100000718516 [0,2,0,0,0,0|1,0,0]=3 18559 B13R1.6 CSCCOCc1cc(ccn1)C 34a_100011998357_100000212216 [0,2,0,0,0,0|1,0,0]=3 18560 B13R1.6 CSCCOCc1cc(ccn1)C 7a_100000230434_100000718516 [0,2,0,0,0,0|1,0,0]=3 18561 B13R1.6 CSCCOCc1cc(ccn1)Cl 34a_100000230434_100016988179 [0,2,0,0,0,0|1,0,0]=3 18562 B13R1.6 CSCCOCc1cc(ccn1)Cl 34a_100000748867_100000212216 [0,2,0,0,0,0|1,0,0]=3 18563 B13R1.6 CSCCOCc1cc(ccn1)Cl 7a_100000230434_100016988179 [0,2,0,0,0,0|1,0,0]=3 18564 B13R1.6 CSCCOCc1cc(ccn1)N 34a_100000692640_100000212216 [0,2,0,0,0,0|1,0,0]=3 18565 B13R1.6 CSCCOCc1cc(cnn1)C 34a_100016212594_100000212216 [0,2,0,0,0,0|2,0,0]=4 18566 B13R1.6 CSCCOCc1cccc(c1)Br 34a_100000230434_100000698116 [0,2,0,0,0,0|2,0,0]=4 18567 B13R1.6 CSCCOCc1cccc(c1)Br 34a_100000687537_100000212216 [0,2,0,0,0,0|2,0,0]=4 18568 B13R1.6 CSCCOCc1cccc(c1)Br 7a_100000230434_100000211773 [0,2,0,0,0,0|2,0,0]=4 18569 B13R1.6 CSCCOCc1cccc(c1)Br 7a_100000687537_100000212216 [0,2,0,0,0,0|2,0,0]=4 18570 B13R1.6 CSCCOCc1cccc(c1)C 34a_100000230434_100000211840 [0,2,0,0,0,0|2,0,0]=4 18571 B13R1.6 CSCCOCc1cccc(c1)C 34a_100011217746_100000212216 [0,2,0,0,0,0|2,0,0]=4 18572 B13R1.6 CSCCOCc1cccc(c1)C 7a_100000230434_100000211840 [0,2,0,0,0,0|2,0,0]=4 18573 B13R1.6 CSCCOCc1cccc(c1)C 7a_100011217746_100000212216 [0,2,0,0,0,0|2,0,0]=4 18574 B13R1.6 CSCCOCc1cccc(c1)Cl 34a_100000230434_100000187163 [0,2,0,0,0,0|2,0,0]=4 18575 B13R1.6 CSCCOCc1cccc(c1)Cl 34a_100000241301_100000212216 [0,2,0,0,0,0|2,0,0]=4 18576 B13R1.6 CSCCOCc1cccc(c1)Cl 7a_100000230434_100000187163 [0,2,0,0,0,0|2,0,0]=4 18577 B13R1.6 CSCCOCc1cccc(c1)Cl 7a_100000241301_100000212216 [0,2,0,0,0,0|2,0,0]=4 18578 B13R1.6 CSCCOCc1cccc(c1)F 34a_100000210976_100000212216 [0,2,0,0,0,0|2,0,0]=4 18579 B13R1.6 CSCCOCc1cccc(c1)F 34a_100000230434_100000187166 [0,2,0,0,0,0|2,0,0]=4 18580 B13R1.6 CSCCOCc1cccc(c1)F 7a_100000210976_100000212216 [0,2,0,0,0,0|2,0,0]=4 18581 B13R1.6 CSCCOCc1cccc(c1)F 7a_100000230434_100000230114 [0,2,0,0,0,0|2,0,0]=4 18582 B13R1.6 CSCCOCc1cccc(c1)I 34a_100000230434_100011218688 [0,2,0,0,0,0|2,0,0]=4 18583 B13R1.6 CSCCOCc1cccc(c1)I 34a_100011215336_100000212216 [0,2,0,0,0,0|2,0,0]=4 18584 B13R1.6 CSCCOCc1cccc(c1)I 7a_100000230434_100011218688 [0,2,0,0,0,0|2,0,0]=4 18585 B13R1.6 CSCCOCc1cccc(c1)I 7a_100011215336_100000212216 [0,2,0,0,0,0|2,0,0]=4 18586 B13R1.6 CSCCOCc1cccc(c1)N 34a_100000211919_100000212216 [0,2,0,0,0,0|2,0,0]=4 18587 B13R1.6 CSCCOCc1cccc(c1)O 34a_100000230434_100011660834 [0,2,0,0,0,0|2,0,0]=4 18588 B13R1.6 CSCCOCc1cccc(c1)O 7a_100000230434_100000084143 [0,2,0,0,0,0|2,0,0]=4 18589 B13R1.6 CSCCOCc1cccc(n1)Br 34a_100000230434_100009889011 [0,2,0,0,0,0|1,0,0]=3 18590 B13R1.6 CSCCOCc1cccc(n1)Br 34a_100000694195_100000212216 [0,2,0,0,0,0|1,0,0]=3 18591 B13R1.6 CSCCOCc1cccc(n1)Br 7a_100000230434_100009889011 [0,2,0,0,0,0|1,0,0]=3 18592 B13R1.6 CSCCOCc1cccc(n1)C 34a_100000230434_100000757606 [0,2,0,0,0,0|1,0,0]=3 18593 B13R1.6 CSCCOCc1cccc(n1)C 34a_100000690600_100000212216 [0,2,0,0,0,0|1,0,0]=3 18594 B13R1.6 CSCCOCc1cccc(n1)C 7a_100000230434_100000757606 [0,2,0,0,0,0|1,0,0]=3 18595 B13R1.6 CSCCOCc1cccc(n1)Cl 34a_100000230434_100000086093 [0,2,0,0,0,0|1,0,0]=3 18596 B13R1.6 CSCCOCc1cccc(n1)Cl 34a_100011998359_100000212216 [0,2,0,0,0,0|1,0,0]=3 18597 B13R1.6 CSCCOCc1cccc(n1)Cl 7a_100000230434_100000086093 [0,2,0,0,0,0|1,0,0]=3 18598 B13R1.6 CSCCOCc1cccc(n1)F 34a_100000086748_100000212216 [0,2,0,0,0,0|1,0,0]=3 18599 B13R1.6 CSCCOCc1cccc(n1)F 34a_100000230434_100009819644 [0,2,0,0,0,0|1,0,0]=3 18600 B13R1.6 CSCCOCc1cccc(n1)F 7a_100000230434_100009819644 [0,2,0,0,0,0|1,0,0]=3 18601 B13R1.6 CSCCOCc1ccnc(n1)Cl 34a_100000230434_100000099655 [0,2,0,0,0,0|2,0,0]=4 18602 B13R1.6 CSCCOCc1ccnc(n1)Cl 7a_100000230434_100000099655 [0,2,0,0,0,0|2,0,0]=4 18603 B13R1.6 CSCCSCc1cc(ccn1)Br 62a_100000212216_100010173614 [0,2,0,0,0,0|1,0,0]=3 18604 B13R1.6 CSCCSCc1cc(ccn1)Br 62a_100010173614_100000751147 [0,2,0,0,0,0|1,0,0]=3 18605 B13R1.6 CSCCSCc1cc(ccn1)C 62a_100000212216_100000718516 [0,2,0,0,0,0|1,0,0]=3 18606 B13R1.6 CSCCSCc1cc(ccn1)C 62a_100000718516_100000751147 [0,2,0,0,0,0|1,0,0]=3 18607 B13R1.6 CSCCSCc1cc(ccn1)Cl 62a_100000212216_100016988179 [0,2,0,0,0,0|1,0,0]=3 18608 B13R1.6 CSCCSCc1cc(ccn1)Cl 62a_100016988179_100000751147 [0,2,0,0,0,0|1,0,0]=3 18609 B13R1.6 CSCCSCc1cccc(c1)Br 62a_100000211773_100000751147 [0,2,0,0,0,0|2,0,0]=4 18610 B13R1.6 CSCCSCc1cccc(c1)Br 62a_100000212216_100000211773 [0,2,0,0,0,0|2,0,0]=4 18611 B13R1.6 CSCCSCc1cccc(c1)C 62a_100000211840_100000751147 [0,2,0,0,0,0|2,0,0]=4 18612 B13R1.6 CSCCSCc1cccc(c1)C 62a_100000212216_100000211840 [0,2,0,0,0,0|2,0,0]=4 18613 B13R1.6 CSCCSCc1cccc(c1)Cl 62a_100000187163_100000751147 [0,2,0,0,0,0|2,0,0]=4 18614 B13R1.6 CSCCSCc1cccc(c1)Cl 62a_100000212216_100000187163 [0,2,0,0,0,0|2,0,0]=4 18615 B13R1.6 CSCCSCc1cccc(c1)F 62a_100000212216_100000230114 [0,2,0,0,0,0|2,0,0]=4 18616 B13R1.6 CSCCSCc1cccc(c1)F 62a_100000230114_100000751147 [0,2,0,0,0,0|2,0,0]=4 18617 B13R1.6 CSCCSCc1cccc(c1)I 62a_100000212216_100011218688 [0,2,0,0,0,0|2,0,0]=4 18618 B13R1.6 CSCCSCc1cccc(c1)I 62a_100011218688_100000751147 [0,2,0,0,0,0|2,0,0]=4 18619 B13R1.6 CSCCSCc1cccc(c1)O 62a_100000212216_100011660834 [0,2,0,0,0,0|2,0,0]=4 18620 B13R1.6 CSCCSCc1cccc(c1)O 62a_100011660834_100000751147 [0,2,0,0,0,0|2,0,0]=4 18621 B13R1.6 CSCCSCc1cccc(n1)Br 62a_100000212216_100009889011 [0,2,0,0,0,0|1,0,0]=3 18622 B13R1.6 CSCCSCc1cccc(n1)Br 62a_100009889011_100000751147 [0,2,0,0,0,0|1,0,0]=3 18623 B13R1.6 CSCCSCc1cccc(n1)C 62a_100000212216_100000757606 [0,2,0,0,0,0|1,0,0]=3 18624 B13R1.6 CSCCSCc1cccc(n1)C 62a_100000757606_100000751147 [0,2,0,0,0,0|1,0,0]=3 18625 B13R1.6 CSCCSCc1cccc(n1)Cl 62a_100000086093_100000751147 [0,2,0,0,0,0|1,0,0]=3 18626 B13R1.6 CSCCSCc1cccc(n1)Cl 62a_100000212216_100000086093 [0,2,0,0,0,0|1,0,0]=3 18627 B13R1.6 CSCCSCc1cccc(n1)F 62a_100000212216_100009819644 [0,2,0,0,0,0|1,0,0]=3 18628 B13R1.6 CSCCSCc1cccc(n1)F 62a_100009819644_100000751147 [0,2,0,0,0,0|1,0,0]=3 18629 B13R1.6 CSCCSCc1ccnc(n1)Cl 62a_100000099655_100000751147 [0,2,0,0,0,0|2,0,0]=4 18630 B13R1.6 CSCCSCc1ccnc(n1)Cl 62a_100000212216_100000099655 [0,2,0,0,0,0|2,0,0]=4 18631 B13R1.6 CSCNCCc1cccc(c1)Br 2230a_100011207229_100011218213 [0,2,0,0,0,0|2,0,0]=4 18632 B13R1.6 CSCNCCc1cccc(c1)Br 34a_100011207229_100011218213 [0,2,0,0,0,0|2,0,0]=4 18633 B13R1.6 CSCNCCc1cccc(c1)C 2230a_100000749837_100011218213 [0,2,0,0,0,0|2,0,0]=4 18634 B13R1.6 CSCNCCc1cccc(c1)C 34a_100000749837_100011218213 [0,2,0,0,0,0|2,0,0]=4 18635 B13R1.6 CSCNCCc1cccc(c1)Cl 2230a_100000185263_100011218213 [0,2,0,0,0,0|2,0,0]=4 18636 B13R1.6 CSCNCCc1cccc(c1)Cl 34a_100000185263_100011218213 [0,2,0,0,0,0|2,0,0]=4 18637 B13R1.6 CSCNCCc1cccc(c1)F 2230a_100000205154_100011218213 [0,2,0,0,0,0|2,0,0]=4 18638 B13R1.6 CSCNCCc1cccc(c1)F 34a_100000205154_100011218213 [0,2,0,0,0,0|2,0,0]=4 18639 B13R1.6 CSCNCCc1cccc(c1)O 2230a_100000747277_100011218213 [0,2,0,0,0,0|2,0,0]=4 18640 B13R1.6 CSCNCCc1cccc(c1)O 34a_100000747277_100011218213 [0,2,0,0,0,0|2,0,0]=4 18641 B13R1.6 CSCNCCc1cccc(n1)C 2230a_100011824523_100011218213 [0,2,0,0,0,0|1,0,0]=3 18642 B13R1.6 CSCNCCc1cccc(n1)C 34a_100011824523_100011218213 [0,2,0,0,0,0|1,0,0]=3 18643 B13R1.6 CSCOCCc1cccc(c1)Br 34a_100011217444_100011218213 [0,2,0,0,0,0|2,0,0]=4 18644 B13R1.6 CSCOCCc1cccc(c1)C 34a_100011217157_100011218213 [0,2,0,0,0,0|2,0,0]=4 18645 B13R1.6 CSCOCCc1cccc(c1)Cl 34a_100000754733_100011218213 [0,2,0,0,0,0|2,0,0]=4 18646 B13R1.6 CSCOCCc1cccc(c1)F 34a_100000763591_100011218213 [0,2,0,0,0,0|2,0,0]=4 18647 B13R1.6 CSCOCCc1cccc(c1)N 34a_100011996697_100011218213 [0,2,0,0,0,0|2,0,0]=4 18648 B13R1.6 CSCOCCc1cccc(n1)Br 34a_100010221043_100011218213 [0,2,0,0,0,0|1,0,0]=3 18649 B13R1.6 CSCSCCc1cccc(c1)Br 62a_100011218213_100011740638 [0,2,0,0,0,0|2,0,0]=4 18650 B13R1.6 CSCSCCc1cccc(c1)Br 62a_100011740638_100011218213 [0,2,0,0,0,0|2,0,0]=4 18651 B13R1.6 CSCSCCc1cccc(c1)C 62a_100011218213_100011713685 [0,2,0,0,0,0|2,0,0]=4 18652 B13R1.6 CSCSCCc1cccc(c1)C 62a_100011713685_100011218213 [0,2,0,0,0,0|2,0,0]=4 18653 B13R1.6 CSCSCCc1cccc(c1)Cl 62a_100011218213_100011713710 [0,2,0,0,0,0|2,0,0]=4 18654 B13R1.6 CSCSCCc1cccc(c1)Cl 62a_100011713710_100011218213 [0,2,0,0,0,0|2,0,0]=4 18655 B13R1.6 CSCSCCc1cccc(c1)F 62a_100011217235_100011218213 [0,2,0,0,0,0|2,0,0]=4 18656 B13R1.6 CSCSCCc1cccc(c1)F 62a_100011218213_100011217235 [0,2,0,0,0,0|2,0,0]=4 18657 B13R1.6 Cc1cc(ncn1)NCCCCO 27a_100000750430_100000744208 [0,2,0,0,0,0|2,0,0]=4 18658 B13R1.6 Cc1cc(ncn1)SCCCCF 62a_100000729493_100000744208 [0,2,0,0,0,0|2,0,0]=4 18659 B13R1.6 Cc1cc(ncn1)SCCCCF 62a_100000744208_100000729493 [0,2,0,0,0,0|2,0,0]=4 18660 B13R1.6 Cc1cc(ncn1)SCCCCO 62a_100000210776_100000744208 [0,2,0,0,0,0|2,0,0]=4 18661 B13R1.6 Cc1cc(ncn1)SCCCCO 62a_100000744208_100000210776 [0,2,0,0,0,0|2,0,0]=4 18662 B13R1.6 Cc1cccc(c1)CCCNCF 34a_103496528808_100015361967 [0,2,0,0,0,0|2,0,0]=4 18663 B13R1.6 Cc1cccc(c1)CCNCCF 2230a_100000749837_100011217306 [0,2,0,0,0,0|2,0,0]=4 18664 B13R1.6 Cc1cccc(c1)CCNCCF 34a_100000724931_100011713685 [0,2,0,0,0,0|2,0,0]=4 18665 B13R1.6 Cc1cccc(c1)CCNCCF 34a_100000749837_100011217306 [0,2,0,0,0,0|2,0,0]=4 18666 B13R1.6 Cc1cccc(c1)CCNCCO 2230a_100000749837_100000211926 [0,2,0,0,0,0|2,0,0]=4 18667 B13R1.6 Cc1cccc(c1)CCNCCO 2230a_100016997473_100011713685 [0,2,0,0,0,0|2,0,0]=4 18668 B13R1.6 Cc1cccc(c1)CCNCCO 34a_100000749837_100000211926 [0,2,0,0,0,0|2,0,0]=4 18669 B13R1.6 Cc1cccc(c1)CCNCCO 34a_100016990907_100011713685 [0,2,0,0,0,0|2,0,0]=4 18670 B13R1.6 Cc1cccc(c1)CCOCCBr 34a_100000211926_100011713685 [0,2,0,0,0,0|2,0,0]=4 18671 B13R1.6 Cc1cccc(c1)CCOCCF 34a_100011217157_100011217306 [0,2,0,0,0,0|2,0,0]=4 18672 B13R1.6 Cc1cccc(c1)CCOCCF 7a_100011217157_100011217306 [0,2,0,0,0,0|2,0,0]=4 18673 B13R1.6 Cc1cccc(c1)CCOCCN 34a_100000210304_100011713685 [0,2,0,0,0,0|2,0,0]=4 18674 B13R1.6 Cc1cccc(c1)CCOCCO 34a_100011217157_100000211926 [0,2,0,0,0,0|2,0,0]=4 18675 B13R1.6 Cc1cccc(c1)CCOCCO 7a_100011217157_100000211926 [0,2,0,0,0,0|2,0,0]=4 18676 B13R1.6 Cc1cccc(c1)CCSCCF 62a_100011217306_100011713685 [0,2,0,0,0,0|2,0,0]=4 18677 B13R1.6 Cc1cccc(c1)CCSCCF 62a_100011713685_100011217306 [0,2,0,0,0,0|2,0,0]=4 18678 B13R1.6 Cc1cccc(c1)CCSCCO 62a_100000211926_100011713685 [0,2,0,0,0,0|2,0,0]=4 18679 B13R1.6 Cc1cccc(c1)CCSCCO 62a_100011713685_100000211926 [0,2,0,0,0,0|2,0,0]=4 18680 B13R1.6 Cc1cccc(c1)CNCCCF 207a_100015189416_100000211157 [0,2,0,0,0,0|2,0,0]=4 18681 B13R1.6 Cc1cccc(c1)CNCCCF 2230a_100000185548_100011934791 [0,2,0,0,0,0|2,0,0]=4 18682 B13R1.6 Cc1cccc(c1)CNCCCF 2230a_100015189416_100000211840 [0,2,0,0,0,0|2,0,0]=4 18683 B13R1.6 Cc1cccc(c1)CNCCCF 270004a_100015189416_100000211157 [0,2,0,0,0,0|2,0,0]=4 18684 B13R1.6 Cc1cccc(c1)CNCCCF 34a_100000185548_100011934791 [0,2,0,0,0,0|2,0,0]=4 18685 B13R1.6 Cc1cccc(c1)CNCCCF 34a_100015189416_100000211840 [0,2,0,0,0,0|2,0,0]=4 18686 B13R1.6 Cc1cccc(c1)CNCCCO 207a_100000182051_100000211157 [0,2,0,0,0,0|2,0,0]=4 18687 B13R1.6 Cc1cccc(c1)CNCCCO 2230a_100000185548_100000230001 [0,2,0,0,0,0|2,0,0]=4 18688 B13R1.6 Cc1cccc(c1)CNCCCO 270004a_100000182051_100000211157 [0,2,0,0,0,0|2,0,0]=4 18689 B13R1.6 Cc1cccc(c1)CNCCCO 34a_100000185548_100000230001 [0,2,0,0,0,0|2,0,0]=4 18690 B13R1.6 Cc1cccc(c1)COCCCBr 34a_100011217188_100000211840 [0,2,0,0,0,0|2,0,0]=4 18691 B13R1.6 Cc1cccc(c1)COCCCCl 34a_100000230001_100000211840 [0,2,0,0,0,0|2,0,0]=4 18692 B13R1.6 Cc1cccc(c1)COCCCF 34a_100000759539_100000211840 [0,2,0,0,0,0|2,0,0]=4 18693 B13R1.6 Cc1cccc(c1)COCCCF 34a_100011217746_100011934791 [0,2,0,0,0,0|2,0,0]=4 18694 B13R1.6 Cc1cccc(c1)COCCCF 7a_100011217746_100011934791 [0,2,0,0,0,0|2,0,0]=4 18695 B13R1.6 Cc1cccc(c1)COCCCN 34a_100000182051_100000211840 [0,2,0,0,0,0|2,0,0]=4 18696 B13R1.6 Cc1cccc(c1)COCCCO 34a_100011217746_100000230001 [0,2,0,0,0,0|2,0,0]=4 18697 B13R1.6 Cc1cccc(c1)COCCCO 7a_100011217746_100011215043 [0,2,0,0,0,0|2,0,0]=4 18698 B13R1.6 Cc1cccc(c1)CSCCCF 62a_100000211840_100011934791 [0,2,0,0,0,0|2,0,0]=4 18699 B13R1.6 Cc1cccc(c1)CSCCCF 62a_100011934791_100000211840 [0,2,0,0,0,0|2,0,0]=4 18700 B13R1.6 Cc1cccc(c1)CSCCCO 62a_100000211840_100011215043 [0,2,0,0,0,0|2,0,0]=4 18701 B13R1.6 Cc1cccc(c1)CSCCCO 62a_100011215043_100000211840 [0,2,0,0,0,0|2,0,0]=4 18702 B13R1.6 Cc1cccc(c1)CSCCO[13CH3] 34a_100011212950_200025704644 [0,2,0,0,0,0|2,0,0]=4 18703 B13R1.6 Cc1cccc(c1)CSCCO[13CH3] 7a_100011212950_200025704644 [0,2,0,0,0,0|2,0,0]=4 18704 B13R1.6 Cc1cccc(c1)NCCCCF 2230a_100000188690_100000729493 [0,2,0,0,0,0|2,0,0]=4 18705 B13R1.6 Cc1cccc(c1)NCCCCF 34a_100000188690_100000729493 [0,2,0,0,0,0|2,0,0]=4 18706 B13R1.6 Cc1cccc(c1)NCCCCO 2230a_100000188690_100000210776 [0,2,0,0,0,0|2,0,0]=4 18707 B13R1.6 Cc1cccc(c1)NCCCCO 34a_100000188690_100011216708 [0,2,0,0,0,0|2,0,0]=4 18708 B13R1.6 Cc1cccc(c1)OCCCCF 34a_100000210337_100000729493 [0,2,0,0,0,0|2,0,0]=4 18709 B13R1.6 Cc1cccc(c1)OCCCCF 7a_100000210337_100000729493 [0,2,0,0,0,0|2,0,0]=4 18710 B13R1.6 Cc1cccc(c1)OCCCCO 34a_100000210337_100011216708 [0,2,0,0,0,0|2,0,0]=4 18711 B13R1.6 Cc1cccc(c1)OCCCCO 7a_100000210337_100000210776 [0,2,0,0,0,0|2,0,0]=4 18712 B13R1.6 Cc1cccc(c1)OCCCS[13CH3] 62a_200025704644_100000212303 [0,2,0,0,0,0|2,0,0]=4 18713 B13R1.6 Cc1cccc(c1)SCCCCF 62a_100000729493_100011215228 [0,2,0,0,0,0|2,0,0]=4 18714 B13R1.6 Cc1cccc(c1)SCCCCF 62a_100011215228_100000729493 [0,2,0,0,0,0|2,0,0]=4 18715 B13R1.6 Cc1cccc(c1)SCCCCO 62a_100000210776_100011215228 [0,2,0,0,0,0|2,0,0]=4 18716 B13R1.6 Cc1cccc(c1)SCCCCO 62a_100011215228_100000210776 [0,2,0,0,0,0|2,0,0]=4 18717 B13R1.6 Cc1cccc(n1)CCCOCF 34a_100000211354_100015361967 [0,2,0,0,0,0|1,0,0]=3 18718 B13R1.6 Cc1cccc(n1)CCNCC#N 2230a_100011824523_100011215382 [0,2,0,0,0,0|1,0,1]=4 18719 B13R1.6 Cc1cccc(n1)CCNCC=O 2230a_100011824523_200015260668 [0,2,0,0,0,0|1,0,1]=4 18720 B13R1.6 Cc1cccc(n1)CCNCC=O 34a_100011824523_200009817547 [0,2,0,0,0,0|1,0,1]=4 18721 B13R1.6 Cc1cccc(n1)CCNCCF 2230a_100011824523_100011217306 [0,2,0,0,0,0|1,0,0]=3 18722 B13R1.6 Cc1cccc(n1)CCNCCF 34a_100011824523_100011217306 [0,2,0,0,0,0|1,0,0]=3 18723 B13R1.6 Cc1cccc(n1)CCNCCO 2230a_100011824523_100000211926 [0,2,0,0,0,0|1,0,0]=3 18724 B13R1.6 Cc1cccc(n1)CCNCCO 34a_100011824523_100000211926 [0,2,0,0,0,0|1,0,0]=3 18725 B13R1.6 Cc1cccc(n1)CNCCC#N 270004a_100000720768_100011215050 [0,2,0,0,0,0|1,0,1]=4 18726 B13R1.6 Cc1cccc(n1)CNCCCF 207a_100015189416_100011215050 [0,2,0,0,0,0|1,0,0]=3 18727 B13R1.6 Cc1cccc(n1)CNCCCF 2230a_100015189416_100000757606 [0,2,0,0,0,0|1,0,0]=3 18728 B13R1.6 Cc1cccc(n1)CNCCCF 270004a_100015189416_100011215050 [0,2,0,0,0,0|1,0,0]=3 18729 B13R1.6 Cc1cccc(n1)CNCCCF 34a_100000701342_100011934791 [0,2,0,0,0,0|1,0,0]=3 18730 B13R1.6 Cc1cccc(n1)CNCCCF 34a_100015189416_100000757606 [0,2,0,0,0,0|1,0,0]=3 18731 B13R1.6 Cc1cccc(n1)CNCCCO 207a_100000182051_100011215050 [0,2,0,0,0,0|1,0,0]=3 18732 B13R1.6 Cc1cccc(n1)CNCCCO 270004a_100000182051_100011215050 [0,2,0,0,0,0|1,0,0]=3 18733 B13R1.6 Cc1cccc(n1)CNCCCO 34a_100000701342_100000230001 [0,2,0,0,0,0|1,0,0]=3 18734 B13R1.6 Cc1cccc(n1)COCCCBr 34a_100011217188_100000757606 [0,2,0,0,0,0|1,0,0]=3 18735 B13R1.6 Cc1cccc(n1)COCCCCl 34a_100000230001_100000757606 [0,2,0,0,0,0|1,0,0]=3 18736 B13R1.6 Cc1cccc(n1)COCCCF 34a_100000690600_100011934791 [0,2,0,0,0,0|1,0,0]=3 18737 B13R1.6 Cc1cccc(n1)COCCCF 34a_100000759539_100000757606 [0,2,0,0,0,0|1,0,0]=3 18738 B13R1.6 Cc1cccc(n1)COCCCN 34a_100000182051_100000757606 [0,2,0,0,0,0|1,0,0]=3 18739 B13R1.6 Cc1cccc(n1)COCCCO 34a_100000690600_100000230001 [0,2,0,0,0,0|1,0,0]=3 18740 B13R1.6 Cc1cccc(n1)COCCON 34a_100000700252_100000757606 [0,2,0,0,0,0|2,0,0]=4 18741 B13R1.6 Cc1cccc(n1)CSCCC#N 62a_100000757606_100011215226 [0,2,0,0,0,0|1,0,1]=4 18742 B13R1.6 Cc1cccc(n1)CSCCC#N 62a_100011215226_100000757606 [0,2,0,0,0,0|1,0,1]=4 18743 B13R1.6 Cc1cccc(n1)CSCCCF 62a_100000757606_100011934791 [0,2,0,0,0,0|1,0,0]=3 18744 B13R1.6 Cc1cccc(n1)CSCCCF 62a_100011934791_100000757606 [0,2,0,0,0,0|1,0,0]=3 18745 B13R1.6 Cc1cccc(n1)CSCCCO 62a_100000757606_100011215043 [0,2,0,0,0,0|1,0,0]=3 18746 B13R1.6 Cc1cccc(n1)CSCCCO 62a_100011215043_100000757606 [0,2,0,0,0,0|1,0,0]=3 18747 B13R1.6 Cc1cccc(n1)SCCCC#N 62a_100000687738_100000742759 [0,2,0,0,0,0|1,0,1]=4 18748 B13R1.6 Cc1cccc(n1)SCCCC#N 62a_100000742759_100000687738 [0,2,0,0,0,0|1,0,1]=4 18749 B13R1.6 Cc1cccc(n1)SCCCC=O 62a_100000742759_200011292268 [0,2,0,0,0,0|1,0,1]=4 18750 B13R1.6 Cc1cccc(n1)SCCCC=O 62a_200011292268_100000742759 [0,2,0,0,0,0|1,0,1]=4 18751 B13R1.6 Cc1cccc(n1)SCCCCF 62a_100000729493_100000742759 [0,2,0,0,0,0|1,0,0]=3 18752 B13R1.6 Cc1cccc(n1)SCCCCF 62a_100000742759_100000729493 [0,2,0,0,0,0|1,0,0]=3 18753 B13R1.6 Cc1cccc(n1)SCCCCO 62a_100000210776_100000742759 [0,2,0,0,0,0|1,0,0]=3 18754 B13R1.6 Cc1cccc(n1)SCCCCO 62a_100000742759_100000210776 [0,2,0,0,0,0|1,0,0]=3 18755 B13R1.6 Cc1ccnc(c1)CNCCC#N 270004a_100000720768_100011361488 [0,2,0,0,0,0|1,0,1]=4 18756 B13R1.6 Cc1ccnc(c1)CNCCCF 207a_100015189416_100011361488 [0,2,0,0,0,0|1,0,0]=3 18757 B13R1.6 Cc1ccnc(c1)CNCCCF 2230a_100015189416_100000718516 [0,2,0,0,0,0|1,0,0]=3 18758 B13R1.6 Cc1ccnc(c1)CNCCCF 270004a_100015189416_100011361488 [0,2,0,0,0,0|1,0,0]=3 18759 B13R1.6 Cc1ccnc(c1)CNCCCF 34a_100015189416_100000718516 [0,2,0,0,0,0|1,0,0]=3 18760 B13R1.6 Cc1ccnc(c1)CNCCCO 207a_100000182051_100011361488 [0,2,0,0,0,0|1,0,0]=3 18761 B13R1.6 Cc1ccnc(c1)CNCCCO 270004a_100000182051_100011361488 [0,2,0,0,0,0|1,0,0]=3 18762 B13R1.6 Cc1ccnc(c1)COCCCBr 34a_100011217188_100000718516 [0,2,0,0,0,0|1,0,0]=3 18763 B13R1.6 Cc1ccnc(c1)COCCCCl 34a_100000230001_100000718516 [0,2,0,0,0,0|1,0,0]=3 18764 B13R1.6 Cc1ccnc(c1)COCCCF 34a_100000759539_100000718516 [0,2,0,0,0,0|1,0,0]=3 18765 B13R1.6 Cc1ccnc(c1)COCCCF 34a_100011998357_100011934791 [0,2,0,0,0,0|1,0,0]=3 18766 B13R1.6 Cc1ccnc(c1)COCCCN 34a_100000182051_100000718516 [0,2,0,0,0,0|1,0,0]=3 18767 B13R1.6 Cc1ccnc(c1)COCCCO 34a_100011998357_100000230001 [0,2,0,0,0,0|1,0,0]=3 18768 B13R1.6 Cc1ccnc(c1)COCCON 34a_100000700252_100000718516 [0,2,0,0,0,0|2,0,0]=4 18769 B13R1.6 Cc1ccnc(c1)CSCCC#N 62a_100000718516_100011215226 [0,2,0,0,0,0|1,0,1]=4 18770 B13R1.6 Cc1ccnc(c1)CSCCC#N 62a_100011215226_100000718516 [0,2,0,0,0,0|1,0,1]=4 18771 B13R1.6 Cc1ccnc(c1)CSCCCF 62a_100000718516_100011934791 [0,2,0,0,0,0|1,0,0]=3 18772 B13R1.6 Cc1ccnc(c1)CSCCCF 62a_100011934791_100000718516 [0,2,0,0,0,0|1,0,0]=3 18773 B13R1.6 Cc1ccnc(c1)CSCCCO 62a_100000718516_100011215043 [0,2,0,0,0,0|1,0,0]=3 18774 B13R1.6 Cc1ccnc(c1)CSCCCO 62a_100011215043_100000718516 [0,2,0,0,0,0|1,0,0]=3 18775 B13R1.6 Cc1ccnc(c1)SCCCC#N 62a_100000687738_100000750283 [0,2,0,0,0,0|1,0,1]=4 18776 B13R1.6 Cc1ccnc(c1)SCCCC#N 62a_100000750283_100000687738 [0,2,0,0,0,0|1,0,1]=4 18777 B13R1.6 Cc1ccnc(c1)SCCCC=O 62a_100000750283_200011292268 [0,2,0,0,0,0|1,0,1]=4 18778 B13R1.6 Cc1ccnc(c1)SCCCC=O 62a_200011292268_100000750283 [0,2,0,0,0,0|1,0,1]=4 18779 B13R1.6 Cc1ccnc(c1)SCCCCF 62a_100000729493_100000750283 [0,2,0,0,0,0|1,0,0]=3 18780 B13R1.6 Cc1ccnc(c1)SCCCCF 62a_100000750283_100000729493 [0,2,0,0,0,0|1,0,0]=3 18781 B13R1.6 Cc1ccnc(c1)SCCCCO 62a_100000210776_100000750283 [0,2,0,0,0,0|1,0,0]=3 18782 B13R1.6 Cc1ccnc(c1)SCCCCO 62a_100000750283_100000210776 [0,2,0,0,0,0|1,0,0]=3 18783 B13R1.6 Cc1ccnc(n1)CNCCCF 2230a_100015186494_100011934791 [0,2,0,0,0,0|2,0,0]=4 18784 B13R1.6 Cc1ccnc(n1)CNCCCO 2230a_100015186494_100000230001 [0,2,0,0,0,0|2,0,0]=4 18785 B13R1.6 Cc1ccnc(n1)NCCCCO 27a_100000750430_100000750684 [0,2,0,0,0,0|2,0,0]=4 18786 B13R1.6 Cc1ccnc(n1)SCCCCF 62a_100000729493_100011243806 [0,2,0,0,0,0|2,0,0]=4 18787 B13R1.6 Cc1ccnc(n1)SCCCCF 62a_100011243806_100000729493 [0,2,0,0,0,0|2,0,0]=4 18788 B13R1.6 Cc1ccnc(n1)SCCCCO 62a_100000210776_100011243806 [0,2,0,0,0,0|2,0,0]=4 18789 B13R1.6 Cc1ccnc(n1)SCCCCO 62a_100011243806_100000210776 [0,2,0,0,0,0|2,0,0]=4 18790 B13R1.6 Cc1cncc(n1)CNCCCF 207a_100015189416_100000100294 [0,2,0,0,0,0|2,0,0]=4 18791 B13R1.6 Cc1cncc(n1)CNCCCF 270004a_100015189416_100000100294 [0,2,0,0,0,0|2,0,0]=4 18792 B13R1.6 Cc1cncc(n1)CNCCCO 207a_100000182051_100000100294 [0,2,0,0,0,0|2,0,0]=4 18793 B13R1.6 Cc1cncc(n1)CNCCCO 270004a_100000182051_100000100294 [0,2,0,0,0,0|2,0,0]=4 18794 B13R1.6 Cc1cncc(n1)NCCCCO 27a_100000750430_100000754123 [0,2,0,0,0,0|2,0,0]=4 18795 B13R1.6 Cc1cncc(n1)SCCCCF 62a_100000729493_100000754123 [0,2,0,0,0,0|2,0,0]=4 18796 B13R1.6 Cc1cncc(n1)SCCCCF 62a_100000754123_100000729493 [0,2,0,0,0,0|2,0,0]=4 18797 B13R1.6 Cc1cncc(n1)SCCCCO 62a_100000210776_100000754123 [0,2,0,0,0,0|2,0,0]=4 18798 B13R1.6 Cc1cncc(n1)SCCCCO 62a_100000754123_100000210776 [0,2,0,0,0,0|2,0,0]=4 18799 B13R1.6 Cc1cnnc(c1)COCCCF 34a_100016212594_100011934791 [0,2,0,0,0,0|2,0,0]=4 18800 B13R1.6 Cc1cnnc(c1)COCCCO 34a_100016212594_100000230001 [0,2,0,0,0,0|2,0,0]=4 18801 B13R1.6 Cc1cnnc(c1)NCCCCO 27a_100000750430_100000070100 [0,2,0,0,0,0|2,0,0]=4 18802 B13R1.6 Cc1cnnc(c1)OCCCCF 34a_100000766097_100000729493 [0,2,0,0,0,0|2,0,0]=4 18803 B13R1.6 Cc1cnnc(c1)OCCCCO 34a_100000766097_100011216708 [0,2,0,0,0,0|2,0,0]=4 18804 B13R1.6 Cc1cnnc(c1)SCCCCF 62a_100000070100_100000729493 [0,2,0,0,0,0|2,0,0]=4 18805 B13R1.6 Cc1cnnc(c1)SCCCCF 62a_100000729493_100000070100 [0,2,0,0,0,0|2,0,0]=4 18806 B13R1.6 Cc1cnnc(c1)SCCCCO 62a_100000070100_100000210776 [0,2,0,0,0,0|2,0,0]=4 18807 B13R1.6 Cc1cnnc(c1)SCCCCO 62a_100000210776_100000070100 [0,2,0,0,0,0|2,0,0]=4 18808 B13R1.6 Cc1nccc(n1)CNCCCF 270004a_100015189416_100011361539 [0,2,0,0,0,0|2,0,0]=4 18809 B13R1.6 Cc1nccc(n1)CNCCCO 270004a_100000182051_100011361539 [0,2,0,0,0,0|2,0,0]=4 18810 B13R1.6 Cc1nccc(n1)NCCCCO 27a_100000750430_100000749937 [0,2,0,0,0,0|2,0,0]=4 18811 B13R1.6 Cc1nccc(n1)SCCCCF 62a_100000729493_100000749937 [0,2,0,0,0,0|2,0,0]=4 18812 B13R1.6 Cc1nccc(n1)SCCCCF 62a_100000749937_100000729493 [0,2,0,0,0,0|2,0,0]=4 18813 B13R1.6 Cc1nccc(n1)SCCCCO 62a_100000210776_100000749937 [0,2,0,0,0,0|2,0,0]=4 18814 B13R1.6 Cc1nccc(n1)SCCCCO 62a_100000749937_100000210776 [0,2,0,0,0,0|2,0,0]=4 18815 B13R1.6 ClCCCOCc1cc(ccn1)Br 34a_100000230001_100010173614 [0,2,0,0,0,0|1,0,0]=3 18816 B13R1.6 ClCCCOCc1cc(ccn1)Cl 34a_100000230001_100016988179 [0,2,0,0,0,0|1,0,0]=3 18817 B13R1.6 ClCCCOCc1cccc(c1)Br 34a_100000230001_100000698116 [0,2,0,0,0,0|2,0,0]=4 18818 B13R1.6 ClCCCOCc1cccc(c1)Cl 34a_100000230001_100000187163 [0,2,0,0,0,0|2,0,0]=4 18819 B13R1.6 ClCCCOCc1cccc(c1)I 34a_100000230001_100011218688 [0,2,0,0,0,0|2,0,0]=4 18820 B13R1.6 ClCCCOCc1cccc(n1)Br 34a_100000230001_100009889011 [0,2,0,0,0,0|1,0,0]=3 18821 B13R1.6 ClCCCOCc1cccc(n1)Cl 34a_100000230001_100000086093 [0,2,0,0,0,0|1,0,0]=3 18822 B13R1.6 ClCCCOCc1ccnc(n1)Cl 34a_100000230001_100000099655 [0,2,0,0,0,0|2,0,0]=4 18823 B13R1.6 Clc1cccc(c1)CCOCCBr 34a_100000211926_100011713710 [0,2,0,0,0,0|2,0,0]=4 18824 B13R1.6 Clc1cccc(c1)COCCCBr 34a_100011217188_100000187163 [0,2,0,0,0,0|2,0,0]=4 18825 B13R1.6 Clc1cccc(n1)COCCCBr 34a_100011217188_100000086093 [0,2,0,0,0,0|1,0,0]=3 18826 B13R1.6 Clc1ccnc(c1)COCCCBr 34a_100011217188_100016988179 [0,2,0,0,0,0|1,0,0]=3 18827 B13R1.6 Clc1nccc(n1)COCCCBr 34a_100011217188_100000099655 [0,2,0,0,0,0|2,0,0]=4 18828 B13R1.6 FCCCCNc1cccc(c1)Br 34a_100000210019_100000729493 [0,2,0,0,0,0|2,0,0]=4 18829 B13R1.6 FCCCCNc1cccc(c1)Cl 34a_100000185859_100000729493 [0,2,0,0,0,0|2,0,0]=4 18830 B13R1.6 FCCCCNc1cccc(c1)F 34a_100000210047_100000729493 [0,2,0,0,0,0|2,0,0]=4 18831 B13R1.6 FCCCCNc1cccc(c1)I 34a_100000211102_100000729493 [0,2,0,0,0,0|2,0,0]=4 18832 B13R1.6 FCCCCOc1cccc(c1)Br 34a_100000210342_100000729493 [0,2,0,0,0,0|2,0,0]=4 18833 B13R1.6 FCCCCOc1cccc(c1)Br 7a_100000210342_100000729493 [0,2,0,0,0,0|2,0,0]=4 18834 B13R1.6 FCCCCOc1cccc(c1)Cl 34a_100000210295_100000729493 [0,2,0,0,0,0|2,0,0]=4 18835 B13R1.6 FCCCCOc1cccc(c1)Cl 7a_100000210295_100000729493 [0,2,0,0,0,0|2,0,0]=4 18836 B13R1.6 FCCCCOc1cccc(c1)F 34a_100000210426_100000729493 [0,2,0,0,0,0|2,0,0]=4 18837 B13R1.6 FCCCCOc1cccc(c1)F 7a_100000210426_100000729493 [0,2,0,0,0,0|2,0,0]=4 18838 B13R1.6 FCCCCOc1cccc(c1)I 34a_100000211634_100000729493 [0,2,0,0,0,0|2,0,0]=4 18839 B13R1.6 FCCCCOc1cccc(c1)I 7a_100000211634_100000729493 [0,2,0,0,0,0|2,0,0]=4 18840 B13R1.6 FCCCCOc1cccc(n1)F 34a_100011432558_100000729493 [0,2,0,0,0,0|1,0,0]=3 18841 B13R1.6 FCCCCSc1cc(ccn1)Cl 62a_100000729493_100010167805 [0,2,0,0,0,0|1,0,0]=3 18842 B13R1.6 FCCCCSc1cc(ccn1)Cl 62a_100010167805_100000729493 [0,2,0,0,0,0|1,0,0]=3 18843 B13R1.6 FCCCCSc1cc(ccn1)F 62a_100000729493_100000764206 [0,2,0,0,0,0|1,0,0]=3 18844 B13R1.6 FCCCCSc1cc(ccn1)F 62a_100000764206_100000729493 [0,2,0,0,0,0|1,0,0]=3 18845 B13R1.6 FCCCCSc1cc(ncn1)Cl 62a_100000729493_100010161198 [0,2,0,0,0,0|2,0,0]=4 18846 B13R1.6 FCCCCSc1cc(ncn1)Cl 62a_100010161198_100000729493 [0,2,0,0,0,0|2,0,0]=4 18847 B13R1.6 FCCCCSc1cc(ncn1)F 62a_100000729493_200009880791 [0,2,0,0,0,0|2,0,0]=4 18848 B13R1.6 FCCCCSc1cc(ncn1)F 62a_200009880791_100000729493 [0,2,0,0,0,0|2,0,0]=4 18849 B13R1.6 FCCCCSc1cccc(c1)Br 62a_100000691529_100000729493 [0,2,0,0,0,0|2,0,0]=4 18850 B13R1.6 FCCCCSc1cccc(c1)Br 62a_100000729493_100000691529 [0,2,0,0,0,0|2,0,0]=4 18851 B13R1.6 FCCCCSc1cccc(c1)Cl 62a_100000699651_100000729493 [0,2,0,0,0,0|2,0,0]=4 18852 B13R1.6 FCCCCSc1cccc(c1)Cl 62a_100000729493_100000699651 [0,2,0,0,0,0|2,0,0]=4 18853 B13R1.6 FCCCCSc1cccc(c1)F 62a_100000685547_100000729493 [0,2,0,0,0,0|2,0,0]=4 18854 B13R1.6 FCCCCSc1cccc(c1)F 62a_100000729493_100000685547 [0,2,0,0,0,0|2,0,0]=4 18855 B13R1.6 FCCCCSc1cccc(c1)[S] 62a_100000729493_114929384022 [0,2,0,0,0,0|2,0,0]=4 18856 B13R1.6 FCCCCSc1cccc(c1)[S] 62a_114929384022_100000729493 [0,2,0,0,0,0|2,0,0]=4 18857 B13R1.6 FCCCCSc1cccc(n1)Br 62a_100000684672_100000729493 [0,2,0,0,0,0|1,0,0]=3 18858 B13R1.6 FCCCCSc1cccc(n1)Br 62a_100000729493_100000684672 [0,2,0,0,0,0|1,0,0]=3 18859 B13R1.6 FCCCCSc1cccc(n1)Cl 62a_100000051397_100000729493 [0,2,0,0,0,0|1,0,0]=3 18860 B13R1.6 FCCCCSc1cccc(n1)Cl 62a_100000729493_100000051397 [0,2,0,0,0,0|1,0,0]=3 18861 B13R1.6 FCCCCSc1cccc(n1)F 62a_100000729493_100009815982 [0,2,0,0,0,0|1,0,0]=3 18862 B13R1.6 FCCCCSc1cccc(n1)F 62a_100009815982_100000729493 [0,2,0,0,0,0|1,0,0]=3 18863 B13R1.6 FCCCCSc1ccnc(n1)Cl 62a_100000729493_100010154678 [0,2,0,0,0,0|2,0,0]=4 18864 B13R1.6 FCCCCSc1ccnc(n1)Cl 62a_100010154678_100000729493 [0,2,0,0,0,0|2,0,0]=4 18865 B13R1.6 FCCCCSc1cncc(n1)Cl 62a_100000729493_100010892449 [0,2,0,0,0,0|2,0,0]=4 18866 B13R1.6 FCCCCSc1cncc(n1)Cl 62a_100010892449_100000729493 [0,2,0,0,0,0|2,0,0]=4 18867 B13R1.6 FCCCCSc1cncc(n1)F 62a_100000729493_200009863489 [0,2,0,0,0,0|2,0,0]=4 18868 B13R1.6 FCCCCSc1cncc(n1)F 62a_200009863489_100000729493 [0,2,0,0,0,0|2,0,0]=4 18869 B13R1.6 FCCCNCc1cc(ccn1)Br 2230a_100015189416_100010173614 [0,2,0,0,0,0|1,0,0]=3 18870 B13R1.6 FCCCNCc1cc(ccn1)Br 270004a_100015189416_100009818557 [0,2,0,0,0,0|1,0,0]=3 18871 B13R1.6 FCCCNCc1cc(ccn1)Br 34a_100015189416_100010173614 [0,2,0,0,0,0|1,0,0]=3 18872 B13R1.6 FCCCNCc1cc(ccn1)Cl 2230a_100015189416_100016988179 [0,2,0,0,0,0|1,0,0]=3 18873 B13R1.6 FCCCNCc1cc(ccn1)Cl 270004a_100015189416_100011998288 [0,2,0,0,0,0|1,0,0]=3 18874 B13R1.6 FCCCNCc1cc(ccn1)Cl 34a_100015189416_100016988179 [0,2,0,0,0,0|1,0,0]=3 18875 B13R1.6 FCCCNCc1cccc(c1)Br 207a_100015189416_100000210085 [0,2,0,0,0,0|2,0,0]=4 18876 B13R1.6 FCCCNCc1cccc(c1)Br 2230a_100000174977_100011934791 [0,2,0,0,0,0|2,0,0]=4 18877 B13R1.6 FCCCNCc1cccc(c1)Br 2230a_100015189416_100000698116 [0,2,0,0,0,0|2,0,0]=4 18878 B13R1.6 FCCCNCc1cccc(c1)Br 270004a_100015189416_100000210085 [0,2,0,0,0,0|2,0,0]=4 18879 B13R1.6 FCCCNCc1cccc(c1)Br 34a_100000174977_100011934791 [0,2,0,0,0,0|2,0,0]=4 18880 B13R1.6 FCCCNCc1cccc(c1)Br 34a_100015189416_100000698116 [0,2,0,0,0,0|2,0,0]=4 18881 B13R1.6 FCCCNCc1cccc(c1)Cl 207a_100015189416_100000210801 [0,2,0,0,0,0|2,0,0]=4 18882 B13R1.6 FCCCNCc1cccc(c1)Cl 2230a_100000174878_100011934791 [0,2,0,0,0,0|2,0,0]=4 18883 B13R1.6 FCCCNCc1cccc(c1)Cl 2230a_100015189416_100000181238 [0,2,0,0,0,0|2,0,0]=4 18884 B13R1.6 FCCCNCc1cccc(c1)Cl 270004a_100015189416_100000210801 [0,2,0,0,0,0|2,0,0]=4 18885 B13R1.6 FCCCNCc1cccc(c1)Cl 34a_100000174878_100011934791 [0,2,0,0,0,0|2,0,0]=4 18886 B13R1.6 FCCCNCc1cccc(c1)Cl 34a_100015189416_100000187163 [0,2,0,0,0,0|2,0,0]=4 18887 B13R1.6 FCCCNCc1cccc(c1)F 207a_100015189416_100000210812 [0,2,0,0,0,0|2,0,0]=4 18888 B13R1.6 FCCCNCc1cccc(c1)F 2230a_100000174948_100011934791 [0,2,0,0,0,0|2,0,0]=4 18889 B13R1.6 FCCCNCc1cccc(c1)F 2230a_100015189416_100000230114 [0,2,0,0,0,0|2,0,0]=4 18890 B13R1.6 FCCCNCc1cccc(c1)F 270004a_100015189416_100000210812 [0,2,0,0,0,0|2,0,0]=4 18891 B13R1.6 FCCCNCc1cccc(c1)F 34a_100000174948_100011934791 [0,2,0,0,0,0|2,0,0]=4 18892 B13R1.6 FCCCNCc1cccc(c1)F 34a_100015189416_100000187166 [0,2,0,0,0,0|2,0,0]=4 18893 B13R1.6 FCCCNCc1cccc(c1)I 207a_100015189416_100000014684 [0,2,0,0,0,0|2,0,0]=4 18894 B13R1.6 FCCCNCc1cccc(c1)I 2230a_100000106179_100011934791 [0,2,0,0,0,0|2,0,0]=4 18895 B13R1.6 FCCCNCc1cccc(c1)I 2230a_100015189416_100011218688 [0,2,0,0,0,0|2,0,0]=4 18896 B13R1.6 FCCCNCc1cccc(c1)I 270004a_100015189416_100000014684 [0,2,0,0,0,0|2,0,0]=4 18897 B13R1.6 FCCCNCc1cccc(c1)I 34a_100000106179_100011934791 [0,2,0,0,0,0|2,0,0]=4 18898 B13R1.6 FCCCNCc1cccc(c1)I 34a_100015189416_100011218688 [0,2,0,0,0,0|2,0,0]=4 18899 B13R1.6 FCCCNCc1cccc(n1)Br 2230a_100015189416_100009889011 [0,2,0,0,0,0|1,0,0]=3 18900 B13R1.6 FCCCNCc1cccc(n1)Br 2230a_100016987751_100011934791 [0,2,0,0,0,0|1,0,0]=3 18901 B13R1.6 FCCCNCc1cccc(n1)Br 270004a_100015189416_100000688028 [0,2,0,0,0,0|1,0,0]=3 18902 B13R1.6 FCCCNCc1cccc(n1)Br 34a_100015189416_100009889011 [0,2,0,0,0,0|1,0,0]=3 18903 B13R1.6 FCCCNCc1cccc(n1)Cl 2230a_100015189416_100000086093 [0,2,0,0,0,0|1,0,0]=3 18904 B13R1.6 FCCCNCc1cccc(n1)Cl 2230a_100016990191_100011934791 [0,2,0,0,0,0|1,0,0]=3 18905 B13R1.6 FCCCNCc1cccc(n1)Cl 270004a_100015189416_100011361687 [0,2,0,0,0,0|1,0,0]=3 18906 B13R1.6 FCCCNCc1cccc(n1)Cl 34a_100015189416_100000086093 [0,2,0,0,0,0|1,0,0]=3 18907 B13R1.6 FCCCNCc1cccc(n1)F 2230a_100015188798_100011934791 [0,2,0,0,0,0|1,0,0]=3 18908 B13R1.6 FCCCNCc1cccc(n1)F 2230a_100015189416_100009819644 [0,2,0,0,0,0|1,0,0]=3 18909 B13R1.6 FCCCNCc1cccc(n1)F 270004a_100015189416_100000050434 [0,2,0,0,0,0|1,0,0]=3 18910 B13R1.6 FCCCNCc1cccc(n1)F 34a_100015188798_100011934791 [0,2,0,0,0,0|1,0,0]=3 18911 B13R1.6 FCCCNCc1cccc(n1)F 34a_100015189416_100009819644 [0,2,0,0,0,0|1,0,0]=3 18912 B13R1.6 FCCCNCc1ccnc(n1)Cl 2230a_100015189416_100000099655 [0,2,0,0,0,0|2,0,0]=4 18913 B13R1.6 FCCCNCc1ccnc(n1)Cl 34a_100015189416_100000099655 [0,2,0,0,0,0|2,0,0]=4 18914 B13R1.6 FCCCOCc1cc(ccn1)Br 34a_100000759539_100010173614 [0,2,0,0,0,0|1,0,0]=3 18915 B13R1.6 FCCCOCc1cc(ccn1)Cl 34a_100000748867_100011934791 [0,2,0,0,0,0|1,0,0]=3 18916 B13R1.6 FCCCOCc1cc(ccn1)Cl 34a_100000759539_100016988179 [0,2,0,0,0,0|1,0,0]=3 18917 B13R1.6 FCCCOCc1cccc(c1)Br 34a_100000687537_100011934791 [0,2,0,0,0,0|2,0,0]=4 18918 B13R1.6 FCCCOCc1cccc(c1)Br 34a_100000759539_100000698116 [0,2,0,0,0,0|2,0,0]=4 18919 B13R1.6 FCCCOCc1cccc(c1)Br 7a_100000687537_100011934791 [0,2,0,0,0,0|2,0,0]=4 18920 B13R1.6 FCCCOCc1cccc(c1)Cl 34a_100000241301_100011934791 [0,2,0,0,0,0|2,0,0]=4 18921 B13R1.6 FCCCOCc1cccc(c1)Cl 34a_100000759539_100000187163 [0,2,0,0,0,0|2,0,0]=4 18922 B13R1.6 FCCCOCc1cccc(c1)Cl 7a_100000241301_100011934791 [0,2,0,0,0,0|2,0,0]=4 18923 B13R1.6 FCCCOCc1cccc(c1)F 34a_100000210976_100011934791 [0,2,0,0,0,0|2,0,0]=4 18924 B13R1.6 FCCCOCc1cccc(c1)F 34a_100000759539_100000187166 [0,2,0,0,0,0|2,0,0]=4 18925 B13R1.6 FCCCOCc1cccc(c1)F 7a_100000210976_100011934791 [0,2,0,0,0,0|2,0,0]=4 18926 B13R1.6 FCCCOCc1cccc(c1)I 34a_100000759539_100011218688 [0,2,0,0,0,0|2,0,0]=4 18927 B13R1.6 FCCCOCc1cccc(c1)I 34a_100011215336_100011934791 [0,2,0,0,0,0|2,0,0]=4 18928 B13R1.6 FCCCOCc1cccc(c1)I 7a_100011215336_100011934791 [0,2,0,0,0,0|2,0,0]=4 18929 B13R1.6 FCCCOCc1cccc(n1)Br 34a_100000694195_100011934791 [0,2,0,0,0,0|1,0,0]=3 18930 B13R1.6 FCCCOCc1cccc(n1)Br 34a_100000759539_100009889011 [0,2,0,0,0,0|1,0,0]=3 18931 B13R1.6 FCCCOCc1cccc(n1)Cl 34a_100000759539_100000086093 [0,2,0,0,0,0|1,0,0]=3 18932 B13R1.6 FCCCOCc1cccc(n1)Cl 34a_100011998359_100011934791 [0,2,0,0,0,0|1,0,0]=3 18933 B13R1.6 FCCCOCc1cccc(n1)F 34a_100000086748_100011934791 [0,2,0,0,0,0|1,0,0]=3 18934 B13R1.6 FCCCOCc1cccc(n1)F 34a_100000759539_100009819644 [0,2,0,0,0,0|1,0,0]=3 18935 B13R1.6 FCCCOCc1ccnc(n1)Cl 34a_100000759539_100000099655 [0,2,0,0,0,0|2,0,0]=4 18936 B13R1.6 FCCCSCc1cc(ccn1)Br 62a_100010173614_100011934791 [0,2,0,0,0,0|1,0,0]=3 18937 B13R1.6 FCCCSCc1cc(ccn1)Br 62a_100011934791_100010173614 [0,2,0,0,0,0|1,0,0]=3 18938 B13R1.6 FCCCSCc1cc(ccn1)Cl 62a_100011934791_100016988179 [0,2,0,0,0,0|1,0,0]=3 18939 B13R1.6 FCCCSCc1cc(ccn1)Cl 62a_100016988179_100011934791 [0,2,0,0,0,0|1,0,0]=3 18940 B13R1.6 FCCCSCc1cccc(c1)Br 62a_100000211773_100011934791 [0,2,0,0,0,0|2,0,0]=4 18941 B13R1.6 FCCCSCc1cccc(c1)Br 62a_100011934791_100000211773 [0,2,0,0,0,0|2,0,0]=4 18942 B13R1.6 FCCCSCc1cccc(c1)Cl 62a_100000187163_100011934791 [0,2,0,0,0,0|2,0,0]=4 18943 B13R1.6 FCCCSCc1cccc(c1)Cl 62a_100011934791_100000187163 [0,2,0,0,0,0|2,0,0]=4 18944 B13R1.6 FCCCSCc1cccc(c1)F 62a_100000230114_100011934791 [0,2,0,0,0,0|2,0,0]=4 18945 B13R1.6 FCCCSCc1cccc(c1)F 62a_100011934791_100000230114 [0,2,0,0,0,0|2,0,0]=4 18946 B13R1.6 FCCCSCc1cccc(c1)I 62a_100011218688_100011934791 [0,2,0,0,0,0|2,0,0]=4 18947 B13R1.6 FCCCSCc1cccc(c1)I 62a_100011934791_100011218688 [0,2,0,0,0,0|2,0,0]=4 18948 B13R1.6 FCCCSCc1cccc(n1)Br 62a_100009889011_100011934791 [0,2,0,0,0,0|1,0,0]=3 18949 B13R1.6 FCCCSCc1cccc(n1)Br 62a_100011934791_100009889011 [0,2,0,0,0,0|1,0,0]=3 18950 B13R1.6 FCCCSCc1cccc(n1)Cl 62a_100000086093_100011934791 [0,2,0,0,0,0|1,0,0]=3 18951 B13R1.6 FCCCSCc1cccc(n1)Cl 62a_100011934791_100000086093 [0,2,0,0,0,0|1,0,0]=3 18952 B13R1.6 FCCCSCc1cccc(n1)F 62a_100009819644_100011934791 [0,2,0,0,0,0|1,0,0]=3 18953 B13R1.6 FCCCSCc1cccc(n1)F 62a_100011934791_100009819644 [0,2,0,0,0,0|1,0,0]=3 18954 B13R1.6 FCCCSCc1ccnc(n1)Cl 62a_100000099655_100011934791 [0,2,0,0,0,0|2,0,0]=4 18955 B13R1.6 FCCCSCc1ccnc(n1)Cl 62a_100011934791_100000099655 [0,2,0,0,0,0|2,0,0]=4 18956 B13R1.6 FCCNCCc1cccc(c1)Br 2230a_100011207229_100011217306 [0,2,0,0,0,0|2,0,0]=4 18957 B13R1.6 FCCNCCc1cccc(c1)Br 34a_100000724931_100011740638 [0,2,0,0,0,0|2,0,0]=4 18958 B13R1.6 FCCNCCc1cccc(c1)Br 34a_100011207229_100011217306 [0,2,0,0,0,0|2,0,0]=4 18959 B13R1.6 FCCNCCc1cccc(c1)Cl 2230a_100000185263_100011217306 [0,2,0,0,0,0|2,0,0]=4 18960 B13R1.6 FCCNCCc1cccc(c1)Cl 34a_100000185263_100011217306 [0,2,0,0,0,0|2,0,0]=4 18961 B13R1.6 FCCNCCc1cccc(c1)Cl 34a_100000724931_100011713710 [0,2,0,0,0,0|2,0,0]=4 18962 B13R1.6 FCCNCCc1cccc(c1)F 2230a_100000205154_100011217306 [0,2,0,0,0,0|2,0,0]=4 18963 B13R1.6 FCCNCCc1cccc(c1)F 34a_100000205154_100011217306 [0,2,0,0,0,0|2,0,0]=4 18964 B13R1.6 FCCNCCc1cccc(c1)F 34a_100000724931_100011217235 [0,2,0,0,0,0|2,0,0]=4 18965 B13R1.6 FCCOCCc1cccc(c1)Br 34a_100011217444_100011217306 [0,2,0,0,0,0|2,0,0]=4 18966 B13R1.6 FCCOCCc1cccc(c1)Br 7a_100011217444_100011217306 [0,2,0,0,0,0|2,0,0]=4 18967 B13R1.6 FCCOCCc1cccc(c1)Cl 34a_100000754733_100011217306 [0,2,0,0,0,0|2,0,0]=4 18968 B13R1.6 FCCOCCc1cccc(c1)Cl 7a_100000754733_100011217306 [0,2,0,0,0,0|2,0,0]=4 18969 B13R1.6 FCCOCCc1cccc(c1)F 34a_100000763591_100011217306 [0,2,0,0,0,0|2,0,0]=4 18970 B13R1.6 FCCOCCc1cccc(c1)F 7a_100000763591_100011217306 [0,2,0,0,0,0|2,0,0]=4 18971 B13R1.6 FCCOCCc1cccc(n1)Br 34a_100010221043_100011217306 [0,2,0,0,0,0|1,0,0]=3 18972 B13R1.6 FCCOCCc1cccc(n1)Br 7a_100010221043_100011217306 [0,2,0,0,0,0|1,0,0]=3 18973 B13R1.6 FCCSCCc1cccc(c1)Br 62a_100011217306_100011740638 [0,2,0,0,0,0|2,0,0]=4 18974 B13R1.6 FCCSCCc1cccc(c1)Br 62a_100011740638_100011217306 [0,2,0,0,0,0|2,0,0]=4 18975 B13R1.6 FCCSCCc1cccc(c1)Cl 62a_100011217306_100011713710 [0,2,0,0,0,0|2,0,0]=4 18976 B13R1.6 FCCSCCc1cccc(c1)Cl 62a_100011713710_100011217306 [0,2,0,0,0,0|2,0,0]=4 18977 B13R1.6 FCCSCCc1cccc(c1)F 62a_100011217235_100011217306 [0,2,0,0,0,0|2,0,0]=4 18978 B13R1.6 FCCSCCc1cccc(c1)F 62a_100011217306_100011217235 [0,2,0,0,0,0|2,0,0]=4 18979 B13R1.6 FCNCCCc1cccc(c1)Br 34a_100000753791_100015361967 [0,2,0,0,0,0|2,0,0]=4 18980 B13R1.6 FCNCCCc1cccc(c1)Cl 34a_100000704586_100015361967 [0,2,0,0,0,0|2,0,0]=4 18981 B13R1.6 FCNCCCc1cccc(c1)F 34a_100000754185_100015361967 [0,2,0,0,0,0|2,0,0]=4 18982 B13R1.6 FCOCCCc1cccc(c1)Br 34a_100011709248_100015361967 [0,2,0,0,0,0|2,0,0]=4 18983 B13R1.6 FCOCCCc1cccc(c1)Br 7a_100011709248_100015361967 [0,2,0,0,0,0|2,0,0]=4 18984 B13R1.6 FCOCCCc1cccc(c1)Cl 34a_100011709246_100015361967 [0,2,0,0,0,0|2,0,0]=4 18985 B13R1.6 FCOCCCc1cccc(c1)Cl 7a_100011709246_100015361967 [0,2,0,0,0,0|2,0,0]=4 18986 B13R1.6 FCOCCNc1cccc(n1)F 34a_200011432718_100015361967 [0,2,0,0,0,0|2,0,0]=4 18987 B13R1.6 FCSCCCc1cccc(c1)Br 62a_100011713683_100015361967 [0,2,0,0,0,0|2,0,0]=4 18988 B13R1.6 FCSCCCc1cccc(c1)Br 62a_100015361967_100011713683 [0,2,0,0,0,0|2,0,0]=4 18989 B13R1.6 FCSCCCc1cccc(c1)F 62a_100015361967_200000698031 [0,2,0,0,0,0|2,0,0]=4 18990 B13R1.6 FCSCCCc1cccc(c1)F 62a_200000698031_100015361967 [0,2,0,0,0,0|2,0,0]=4 18991 B13R1.6 Fc1cccc(c1)CCOCCBr 34a_100000211926_100011217235 [0,2,0,0,0,0|2,0,0]=4 18992 B13R1.6 Fc1cccc(c1)COCCCBr 34a_100011217188_100000187166 [0,2,0,0,0,0|2,0,0]=4 18993 B13R1.6 Fc1cccc(c1)COCCCCl 34a_100000230001_100000187166 [0,2,0,0,0,0|2,0,0]=4 18994 B13R1.6 Fc1cccc(n1)COCCCBr 34a_100011217188_100009819644 [0,2,0,0,0,0|1,0,0]=3 18995 B13R1.6 Fc1cccc(n1)COCCCCl 34a_100000230001_100009819644 [0,2,0,0,0,0|1,0,0]=3 18996 B13R1.6 N#CCCCSc1cc(ccn1)Cl 62a_100000687738_100010167805 [0,2,0,0,0,0|1,0,1]=4 18997 B13R1.6 N#CCCCSc1cc(ccn1)Cl 62a_100010167805_100000687738 [0,2,0,0,0,0|1,0,1]=4 18998 B13R1.6 N#CCCCSc1cc(ccn1)F 62a_100000687738_100000764206 [0,2,0,0,0,0|1,0,1]=4 18999 B13R1.6 N#CCCCSc1cc(ccn1)F 62a_100000764206_100000687738 [0,2,0,0,0,0|1,0,1]=4 19000 B13R1.6 N#CCCCSc1cc(ccn1)N 62a_100000687738_100009814236 [0,2,0,0,0,0|1,0,1]=4 19001 B13R1.6 N#CCCCSc1cc(ccn1)N 62a_100009814236_100000687738 [0,2,0,0,0,0|1,0,1]=4 19002 B13R1.6 N#CCCCSc1cc(ccn1)O 62a_100000687738_100000762945 [0,2,0,0,0,0|1,0,1]=4 19003 B13R1.6 N#CCCCSc1cccc(n1)Br 62a_100000684672_100000687738 [0,2,0,0,0,0|1,0,1]=4 19004 B13R1.6 N#CCCCSc1cccc(n1)Br 62a_100000687738_100000684672 [0,2,0,0,0,0|1,0,1]=4 19005 B13R1.6 N#CCCCSc1cccc(n1)Cl 62a_100000051397_100000687738 [0,2,0,0,0,0|1,0,1]=4 19006 B13R1.6 N#CCCCSc1cccc(n1)Cl 62a_100000687738_100000051397 [0,2,0,0,0,0|1,0,1]=4 19007 B13R1.6 N#CCCCSc1cccc(n1)F 62a_100000687738_100009815982 [0,2,0,0,0,0|1,0,1]=4 19008 B13R1.6 N#CCCCSc1cccc(n1)F 62a_100009815982_100000687738 [0,2,0,0,0,0|1,0,1]=4 19009 B13R1.6 N#CCCCSc1cccc(n1)N 62a_100000687738_100000740741 [0,2,0,0,0,0|1,0,1]=4 19010 B13R1.6 N#CCCCSc1cccc(n1)N 62a_100000740741_100000687738 [0,2,0,0,0,0|1,0,1]=4 19011 B13R1.6 N#CCCNCc1cc(ccn1)Br 270004a_100000720768_100009818557 [0,2,0,0,0,0|1,0,1]=4 19012 B13R1.6 N#CCCNCc1cc(ccn1)Cl 270004a_100000720768_100011998288 [0,2,0,0,0,0|1,0,1]=4 19013 B13R1.6 N#CCCNCc1cccc(n1)Br 2230a_100016987751_100011215226 [0,2,0,0,0,0|1,0,1]=4 19014 B13R1.6 N#CCCNCc1cccc(n1)Br 270004a_100000720768_100000688028 [0,2,0,0,0,0|1,0,1]=4 19015 B13R1.6 N#CCCNCc1cccc(n1)Cl 2230a_100016990191_100011215226 [0,2,0,0,0,0|1,0,1]=4 19016 B13R1.6 N#CCCNCc1cccc(n1)Cl 270004a_100000720768_100011361687 [0,2,0,0,0,0|1,0,1]=4 19017 B13R1.6 N#CCCNCc1cccc(n1)F 2230a_100015188798_100011215226 [0,2,0,0,0,0|1,0,1]=4 19018 B13R1.6 N#CCCNCc1cccc(n1)F 270004a_100000720768_100000050434 [0,2,0,0,0,0|1,0,1]=4 19019 B13R1.6 N#CCCSCc1cc(ccn1)Br 62a_100010173614_100011215226 [0,2,0,0,0,0|1,0,1]=4 19020 B13R1.6 N#CCCSCc1cc(ccn1)Br 62a_100011215226_100010173614 [0,2,0,0,0,0|1,0,1]=4 19021 B13R1.6 N#CCCSCc1cc(ccn1)Cl 62a_100011215226_100016988179 [0,2,0,0,0,0|1,0,1]=4 19022 B13R1.6 N#CCCSCc1cc(ccn1)Cl 62a_100016988179_100011215226 [0,2,0,0,0,0|1,0,1]=4 19023 B13R1.6 N#CCCSCc1cccc(n1)Br 62a_100009889011_100011215226 [0,2,0,0,0,0|1,0,1]=4 19024 B13R1.6 N#CCCSCc1cccc(n1)Br 62a_100011215226_100009889011 [0,2,0,0,0,0|1,0,1]=4 19025 B13R1.6 N#CCCSCc1cccc(n1)Cl 62a_100000086093_100011215226 [0,2,0,0,0,0|1,0,1]=4 19026 B13R1.6 N#CCCSCc1cccc(n1)Cl 62a_100011215226_100000086093 [0,2,0,0,0,0|1,0,1]=4 19027 B13R1.6 N#CCCSCc1cccc(n1)F 62a_100009819644_100011215226 [0,2,0,0,0,0|1,0,1]=4 19028 B13R1.6 N#CCCSCc1cccc(n1)F 62a_100011215226_100009819644 [0,2,0,0,0,0|1,0,1]=4 19029 B13R1.6 N#CCOCCc1cccc(n1)Br 7a_100010221043_100011215382 [0,2,0,0,0,0|1,0,1]=4 19030 B13R1.6 NCCCOCc1cc(ccn1)Br 34a_100000182051_100010173614 [0,2,0,0,0,0|1,0,0]=3 19031 B13R1.6 NCCCOCc1cc(ccn1)Cl 34a_100000182051_100016988179 [0,2,0,0,0,0|1,0,0]=3 19032 B13R1.6 NCCCOCc1cccc(c1)Br 34a_100000182051_100000698116 [0,2,0,0,0,0|2,0,0]=4 19033 B13R1.6 NCCCOCc1cccc(c1)Cl 34a_100000182051_100000187163 [0,2,0,0,0,0|2,0,0]=4 19034 B13R1.6 NCCCOCc1cccc(c1)F 34a_100000182051_100000187166 [0,2,0,0,0,0|2,0,0]=4 19035 B13R1.6 NCCCOCc1cccc(c1)I 34a_100000182051_100011218688 [0,2,0,0,0,0|2,0,0]=4 19036 B13R1.6 NCCCOCc1cccc(c1)O 34a_100000182051_100011660834 [0,2,0,0,0,0|2,0,0]=4 19037 B13R1.6 NCCCOCc1cccc(n1)Br 34a_100000182051_100009889011 [0,2,0,0,0,0|1,0,0]=3 19038 B13R1.6 NCCCOCc1cccc(n1)Cl 34a_100000182051_100000086093 [0,2,0,0,0,0|1,0,0]=3 19039 B13R1.6 NCCCOCc1cccc(n1)F 34a_100000182051_100009819644 [0,2,0,0,0,0|1,0,0]=3 19040 B13R1.6 NCCCOCc1ccnc(n1)Cl 34a_100000182051_100000099655 [0,2,0,0,0,0|2,0,0]=4 19041 B13R1.6 NCCOCCc1cccc(c1)Br 34a_100000210304_100011740638 [0,2,0,0,0,0|2,0,0]=4 19042 B13R1.6 NCCOCCc1cccc(c1)Cl 34a_100000210304_100011713710 [0,2,0,0,0,0|2,0,0]=4 19043 B13R1.6 NCCOCCc1cccc(c1)F 34a_100000210304_100011217235 [0,2,0,0,0,0|2,0,0]=4 19044 B13R1.6 NOCCOCc1cc(ccn1)Br 34a_100000700252_100010173614 [0,2,0,0,0,0|2,0,0]=4 19045 B13R1.6 NOCCOCc1cc(ccn1)Cl 34a_100000700252_100016988179 [0,2,0,0,0,0|2,0,0]=4 19046 B13R1.6 NOCCOCc1cccc(n1)Br 34a_100000700252_100009889011 [0,2,0,0,0,0|2,0,0]=4 19047 B13R1.6 NOCCOCc1cccc(n1)Cl 34a_100000700252_100000086093 [0,2,0,0,0,0|2,0,0]=4 19048 B13R1.6 NOCCOCc1cccc(n1)F 34a_100000700252_100009819644 [0,2,0,0,0,0|2,0,0]=4 19049 B13R1.6 Nc1cc(ncn1)NCCCCO 27a_100000750430_100000701291 [0,2,0,0,0,0|2,0,0]=4 19050 B13R1.6 Nc1cc(ncn1)SCCCCF 62a_100000701291_100000729493 [0,2,0,0,0,0|2,0,0]=4 19051 B13R1.6 Nc1cc(ncn1)SCCCCF 62a_100000729493_100000701291 [0,2,0,0,0,0|2,0,0]=4 19052 B13R1.6 Nc1cc(ncn1)SCCCCO 62a_100000210776_100000701291 [0,2,0,0,0,0|2,0,0]=4 19053 B13R1.6 Nc1cc(ncn1)SCCCCO 62a_100000701291_100000210776 [0,2,0,0,0,0|2,0,0]=4 19054 B13R1.6 Nc1cccc(c1)CCCOCF 34a_200000698965_100015361967 [0,2,0,0,0,0|2,0,0]=4 19055 B13R1.6 Nc1cccc(c1)CCCOCF 7a_200000698965_100015361967 [0,2,0,0,0,0|2,0,0]=4 19056 B13R1.6 Nc1cccc(c1)CCOCCF 34a_100011996697_100011217306 [0,2,0,0,0,0|2,0,0]=4 19057 B13R1.6 Nc1cccc(c1)CCOCCO 34a_100011996697_100000211926 [0,2,0,0,0,0|2,0,0]=4 19058 B13R1.6 Nc1cccc(c1)COCCCF 34a_100000211919_100011934791 [0,2,0,0,0,0|2,0,0]=4 19059 B13R1.6 Nc1cccc(c1)COCCCO 34a_100000211919_100000230001 [0,2,0,0,0,0|2,0,0]=4 19060 B13R1.6 Nc1cccc(c1)OCCCCF 34a_100000210217_100000729493 [0,2,0,0,0,0|2,0,0]=4 19061 B13R1.6 Nc1cccc(c1)OCCCCO 34a_100000210217_100011216708 [0,2,0,0,0,0|2,0,0]=4 19062 B13R1.6 Nc1cccc(c1)SCCCCF 62a_100000210019_100000729493 [0,2,0,0,0,0|2,0,0]=4 19063 B13R1.6 Nc1cccc(c1)SCCCCF 62a_100000729493_100000210019 [0,2,0,0,0,0|2,0,0]=4 19064 B13R1.6 Nc1cccc(c1)SCCCCO 62a_100000210019_100000210776 [0,2,0,0,0,0|2,0,0]=4 19065 B13R1.6 Nc1cccc(c1)SCCCCO 62a_100000210776_100000210019 [0,2,0,0,0,0|2,0,0]=4 19066 B13R1.6 Nc1cccc(n1)SCCCC=O 62a_100000740741_200011292268 [0,2,0,0,0,0|1,0,1]=4 19067 B13R1.6 Nc1cccc(n1)SCCCC=O 62a_200011292268_100000740741 [0,2,0,0,0,0|1,0,1]=4 19068 B13R1.6 Nc1cccc(n1)SCCCCF 62a_100000729493_100000740741 [0,2,0,0,0,0|1,0,0]=3 19069 B13R1.6 Nc1cccc(n1)SCCCCF 62a_100000740741_100000729493 [0,2,0,0,0,0|1,0,0]=3 19070 B13R1.6 Nc1cccc(n1)SCCCCO 62a_100000210776_100000740741 [0,2,0,0,0,0|1,0,0]=3 19071 B13R1.6 Nc1cccc(n1)SCCCCO 62a_100000740741_100000210776 [0,2,0,0,0,0|1,0,0]=3 19072 B13R1.6 Nc1ccnc(c1)COCCCF 34a_100000692640_100011934791 [0,2,0,0,0,0|1,0,0]=3 19073 B13R1.6 Nc1ccnc(c1)COCCCO 34a_100000692640_100000230001 [0,2,0,0,0,0|1,0,0]=3 19074 B13R1.6 Nc1ccnc(c1)SCCCC=O 62a_100009814236_200011292268 [0,2,0,0,0,0|1,0,1]=4 19075 B13R1.6 Nc1ccnc(c1)SCCCC=O 62a_200011292268_100009814236 [0,2,0,0,0,0|1,0,1]=4 19076 B13R1.6 Nc1ccnc(c1)SCCCCF 62a_100000729493_100009814236 [0,2,0,0,0,0|1,0,0]=3 19077 B13R1.6 Nc1ccnc(c1)SCCCCF 62a_100009814236_100000729493 [0,2,0,0,0,0|1,0,0]=3 19078 B13R1.6 Nc1ccnc(c1)SCCCCO 62a_100000210776_100009814236 [0,2,0,0,0,0|1,0,0]=3 19079 B13R1.6 Nc1ccnc(c1)SCCCCO 62a_100009814236_100000210776 [0,2,0,0,0,0|1,0,0]=3 19080 B13R1.6 Nc1ccnc(n1)NCCCCO 27a_100000750430_100000757536 [0,2,0,0,0,0|2,0,0]=4 19081 B13R1.6 Nc1ccnc(n1)SCCCCF 62a_100000729493_100000757536 [0,2,0,0,0,0|2,0,0]=4 19082 B13R1.6 Nc1ccnc(n1)SCCCCF 62a_100000757536_100000729493 [0,2,0,0,0,0|2,0,0]=4 19083 B13R1.6 Nc1ccnc(n1)SCCCCO 62a_100000210776_100000757536 [0,2,0,0,0,0|2,0,0]=4 19084 B13R1.6 Nc1ccnc(n1)SCCCCO 62a_100000757536_100000210776 [0,2,0,0,0,0|2,0,0]=4 19085 B13R1.6 Nc1cncc(n1)SCCCCF 62a_100000729493_100000747728 [0,2,0,0,0,0|2,0,0]=4 19086 B13R1.6 Nc1cncc(n1)SCCCCF 62a_100000747728_100000729493 [0,2,0,0,0,0|2,0,0]=4 19087 B13R1.6 Nc1cncc(n1)SCCCCO 62a_100000210776_100000747728 [0,2,0,0,0,0|2,0,0]=4 19088 B13R1.6 Nc1cncc(n1)SCCCCO 62a_100000747728_100000210776 [0,2,0,0,0,0|2,0,0]=4 19089 B13R1.6 Nc1cnnc(c1)SCCCCF 62a_100000729493_100011996757 [0,2,0,0,0,0|2,0,0]=4 19090 B13R1.6 Nc1cnnc(c1)SCCCCF 62a_100011996757_100000729493 [0,2,0,0,0,0|2,0,0]=4 19091 B13R1.6 Nc1cnnc(c1)SCCCCO 62a_100000210776_100011996757 [0,2,0,0,0,0|2,0,0]=4 19092 B13R1.6 Nc1cnnc(c1)SCCCCO 62a_100011996757_100000210776 [0,2,0,0,0,0|2,0,0]=4 19093 B13R1.6 Nc1nccc(n1)NCCCCO 27a_100000750430_100000055538 [0,2,0,0,0,0|2,0,0]=4 19094 B13R1.6 Nc1nccc(n1)SCCCCF 62a_100000055538_100000729493 [0,2,0,0,0,0|2,0,0]=4 19095 B13R1.6 Nc1nccc(n1)SCCCCF 62a_100000729493_100000055538 [0,2,0,0,0,0|2,0,0]=4 19096 B13R1.6 Nc1nccc(n1)SCCCCO 62a_100000055538_100000210776 [0,2,0,0,0,0|2,0,0]=4 19097 B13R1.6 Nc1nccc(n1)SCCCCO 62a_100000210776_100000055538 [0,2,0,0,0,0|2,0,0]=4 19098 B13R1.6 O=CCCCSc1cc(ccn1)Cl 62a_100010167805_200011292268 [0,2,0,0,0,0|1,0,1]=4 19099 B13R1.6 O=CCCCSc1cc(ccn1)Cl 62a_200011292268_100010167805 [0,2,0,0,0,0|1,0,1]=4 19100 B13R1.6 O=CCCCSc1cc(ccn1)F 62a_100000764206_200011292268 [0,2,0,0,0,0|1,0,1]=4 19101 B13R1.6 O=CCCCSc1cc(ccn1)F 62a_200011292268_100000764206 [0,2,0,0,0,0|1,0,1]=4 19102 B13R1.6 O=CCCCSc1cc(ccn1)O 62a_200011292268_100000762945 [0,2,0,0,0,0|1,0,1]=4 19103 B13R1.6 O=CCCCSc1cccc(n1)Br 62a_100000684672_200011292268 [0,2,0,0,0,0|1,0,1]=4 19104 B13R1.6 O=CCCCSc1cccc(n1)Br 62a_200011292268_100000684672 [0,2,0,0,0,0|1,0,1]=4 19105 B13R1.6 O=CCCCSc1cccc(n1)Cl 62a_100000051397_200011292268 [0,2,0,0,0,0|1,0,1]=4 19106 B13R1.6 O=CCCCSc1cccc(n1)Cl 62a_200011292268_100000051397 [0,2,0,0,0,0|1,0,1]=4 19107 B13R1.6 O=CCCCSc1cccc(n1)F 62a_100009815982_200011292268 [0,2,0,0,0,0|1,0,1]=4 19108 B13R1.6 O=CCCCSc1cccc(n1)F 62a_200011292268_100009815982 [0,2,0,0,0,0|1,0,1]=4 19109 B13R1.6 O=CCOCCc1cccc(n1)Br 34a_100010221043_200009817547 [0,2,0,0,0,0|1,0,1]=4 19110 B13R1.6 O=CCOCCc1cccc(n1)Br 7a_100010221043_200015260668 [0,2,0,0,0,0|1,0,1]=4 19111 B13R1.6 O=c1cc(nc[nH]1)SCCCCF 62a_100012002517_100000729493 [0,2,0,0,0,0|2,0,0]=4 19112 B13R1.6 O=c1cc(nc[nH]1)SCCCCO 62a_100012002517_100000210776 [0,2,0,0,0,0|2,0,0]=4 19113 B13R1.6 O=c1cc[nH]c(c1)SCCCCF 62a_100009817434_100000729493 [0,2,0,0,0,0|1,0,1]=4 19114 B13R1.6 O=c1cc[nH]c(c1)SCCCCO 62a_100009817434_100000210776 [0,2,0,0,0,0|1,0,1]=4 19115 B13R1.6 O=c1cccc([nH]1)CNCCCF 207a_100015189416_100011935257 [0,2,0,0,0,0|1,0,1]=4 19116 B13R1.6 O=c1cccc([nH]1)CNCCCF 2230a_100000696482_100011934791 [0,2,0,0,0,0|1,0,1]=4 19117 B13R1.6 O=c1cccc([nH]1)CNCCCO 207a_100000182051_100011935257 [0,2,0,0,0,0|1,0,1]=4 19118 B13R1.6 O=c1cccc([nH]1)CNCCCO 2230a_100000696482_100000230001 [0,2,0,0,0,0|1,0,1]=4 19119 B13R1.6 O=c1cccc([nH]1)OCCCCF 34a_100000033347_100000729493 [0,2,0,0,0,0|1,0,1]=4 19120 B13R1.6 O=c1cccc([nH]1)OCCCCO 34a_100000033347_100011216708 [0,2,0,0,0,0|1,0,1]=4 19121 B13R1.6 O=c1cccc([nH]1)SCCCCF 62a_100000729493_100000752884 [0,2,0,0,0,0|1,0,1]=4 19122 B13R1.6 O=c1cccc([nH]1)SCCCCO 62a_100000210776_100000752884 [0,2,0,0,0,0|1,0,1]=4 19123 B13R1.6 O=c1nc(cc[nH]1)NCCCCO 27a_100000750430_200000134032 [0,2,0,0,0,0|2,0,0]=4 19124 B13R1.6 O=c1nc(cc[nH]1)SCCCCF 62a_100000729493_200000134032 [0,2,0,0,0,0|2,0,0]=4 19125 B13R1.6 O=c1nc(cc[nH]1)SCCCCO 62a_100000210776_200000134032 [0,2,0,0,0,0|2,0,0]=4 19126 B13R1.6 OCCCCNc1cc(ccn1)F 27a_100000750430_100000764206 [0,2,0,0,0,0|1,0,0]=3 19127 B13R1.6 OCCCCNc1cc(ncn1)F 27a_100000750430_200009880791 [0,2,0,0,0,0|2,0,0]=4 19128 B13R1.6 OCCCCNc1cc(ncn1)O 27a_100000750430_100000765262 [0,2,0,0,0,0|2,0,0]=4 19129 B13R1.6 OCCCCNc1cccc(c1)Br 34a_100000210019_100011216708 [0,2,0,0,0,0|2,0,0]=4 19130 B13R1.6 OCCCCNc1cccc(c1)Cl 34a_100000185859_100011216708 [0,2,0,0,0,0|2,0,0]=4 19131 B13R1.6 OCCCCNc1cccc(c1)F 34a_100000210047_100011216708 [0,2,0,0,0,0|2,0,0]=4 19132 B13R1.6 OCCCCNc1cccc(c1)I 34a_100000211102_100011216708 [0,2,0,0,0,0|2,0,0]=4 19133 B13R1.6 OCCCCNc1cccc(c1)O 34a_100000210217_100011216708 [0,2,0,0,0,0|2,0,0]=4 19134 B13R1.6 OCCCCNc1cccc(n1)F 27a_100000750430_100009815982 [0,2,0,0,0,0|1,0,0]=3 19135 B13R1.6 OCCCCNc1cncc(n1)Cl 27a_100000750430_100010892449 [0,2,0,0,0,0|2,0,0]=4 19136 B13R1.6 OCCCCNc1cncc(n1)F 27a_100000750430_200009863489 [0,2,0,0,0,0|2,0,0]=4 19137 B13R1.6 OCCCCNc1nccc(n1)O 27a_100000750430_100011649813 [0,2,0,0,0,0|2,0,0]=4 19138 B13R1.6 OCCCCOc1cccc(c1)Br 34a_100000210342_100011216708 [0,2,0,0,0,0|2,0,0]=4 19139 B13R1.6 OCCCCOc1cccc(c1)Br 7a_100000210342_100000210776 [0,2,0,0,0,0|2,0,0]=4 19140 B13R1.6 OCCCCOc1cccc(c1)Cl 34a_100000210295_100011216708 [0,2,0,0,0,0|2,0,0]=4 19141 B13R1.6 OCCCCOc1cccc(c1)Cl 7a_100000210295_100000210776 [0,2,0,0,0,0|2,0,0]=4 19142 B13R1.6 OCCCCOc1cccc(c1)F 34a_100000210426_100011216708 [0,2,0,0,0,0|2,0,0]=4 19143 B13R1.6 OCCCCOc1cccc(c1)F 7a_100000210426_100000210776 [0,2,0,0,0,0|2,0,0]=4 19144 B13R1.6 OCCCCOc1cccc(c1)I 34a_100000211634_100011216708 [0,2,0,0,0,0|2,0,0]=4 19145 B13R1.6 OCCCCOc1cccc(c1)I 7a_100000211634_100000210776 [0,2,0,0,0,0|2,0,0]=4 19146 B13R1.6 OCCCCOc1cccc(n1)F 34a_100011432558_100011216708 [0,2,0,0,0,0|1,0,0]=3 19147 B13R1.6 OCCCCSc1cc(ccn1)Cl 62a_100000210776_100010167805 [0,2,0,0,0,0|1,0,0]=3 19148 B13R1.6 OCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210776 [0,2,0,0,0,0|1,0,0]=3 19149 B13R1.6 OCCCCSc1cc(ccn1)F 62a_100000210776_100000764206 [0,2,0,0,0,0|1,0,0]=3 19150 B13R1.6 OCCCCSc1cc(ccn1)F 62a_100000764206_100000210776 [0,2,0,0,0,0|1,0,0]=3 19151 B13R1.6 OCCCCSc1cc(ccn1)O 62a_100000210776_100000762945 [0,2,0,0,0,0|1,0,0]=3 19152 B13R1.6 OCCCCSc1cc(cnn1)O 62a_100000210776_200010734679 [0,2,0,0,0,0|2,0,0]=4 19153 B13R1.6 OCCCCSc1cc(ncn1)Cl 62a_100000210776_100010161198 [0,2,0,0,0,0|2,0,0]=4 19154 B13R1.6 OCCCCSc1cc(ncn1)Cl 62a_100010161198_100000210776 [0,2,0,0,0,0|2,0,0]=4 19155 B13R1.6 OCCCCSc1cc(ncn1)F 62a_100000210776_200009880791 [0,2,0,0,0,0|2,0,0]=4 19156 B13R1.6 OCCCCSc1cc(ncn1)F 62a_200009880791_100000210776 [0,2,0,0,0,0|2,0,0]=4 19157 B13R1.6 OCCCCSc1cc(ncn1)O 62a_100000210776_100000765262 [0,2,0,0,0,0|2,0,0]=4 19158 B13R1.6 OCCCCSc1cccc(c1)Br 62a_100000210776_100000691529 [0,2,0,0,0,0|2,0,0]=4 19159 B13R1.6 OCCCCSc1cccc(c1)Br 62a_100000691529_100000210776 [0,2,0,0,0,0|2,0,0]=4 19160 B13R1.6 OCCCCSc1cccc(c1)Cl 62a_100000210776_100000699651 [0,2,0,0,0,0|2,0,0]=4 19161 B13R1.6 OCCCCSc1cccc(c1)Cl 62a_100000699651_100000210776 [0,2,0,0,0,0|2,0,0]=4 19162 B13R1.6 OCCCCSc1cccc(c1)F 62a_100000210776_100000685547 [0,2,0,0,0,0|2,0,0]=4 19163 B13R1.6 OCCCCSc1cccc(c1)F 62a_100000685547_100000210776 [0,2,0,0,0,0|2,0,0]=4 19164 B13R1.6 OCCCCSc1cccc(c1)O 62a_100000210776_100000211634 [0,2,0,0,0,0|2,0,0]=4 19165 B13R1.6 OCCCCSc1cccc(c1)[S] 62a_100000210776_114929384022 [0,2,0,0,0,0|2,0,0]=4 19166 B13R1.6 OCCCCSc1cccc(c1)[S] 62a_114929384022_100000210776 [0,2,0,0,0,0|2,0,0]=4 19167 B13R1.6 OCCCCSc1cccc(n1)Br 62a_100000210776_100000684672 [0,2,0,0,0,0|1,0,0]=3 19168 B13R1.6 OCCCCSc1cccc(n1)Br 62a_100000684672_100000210776 [0,2,0,0,0,0|1,0,0]=3 19169 B13R1.6 OCCCCSc1cccc(n1)Cl 62a_100000051397_100000210776 [0,2,0,0,0,0|1,0,0]=3 19170 B13R1.6 OCCCCSc1cccc(n1)Cl 62a_100000210776_100000051397 [0,2,0,0,0,0|1,0,0]=3 19171 B13R1.6 OCCCCSc1cccc(n1)F 62a_100000210776_100009815982 [0,2,0,0,0,0|1,0,0]=3 19172 B13R1.6 OCCCCSc1cccc(n1)F 62a_100009815982_100000210776 [0,2,0,0,0,0|1,0,0]=3 19173 B13R1.6 OCCCCSc1ccnc(n1)Cl 62a_100000210776_100010154678 [0,2,0,0,0,0|2,0,0]=4 19174 B13R1.6 OCCCCSc1ccnc(n1)Cl 62a_100010154678_100000210776 [0,2,0,0,0,0|2,0,0]=4 19175 B13R1.6 OCCCCSc1cncc(n1)Cl 62a_100000210776_100010892449 [0,2,0,0,0,0|2,0,0]=4 19176 B13R1.6 OCCCCSc1cncc(n1)Cl 62a_100010892449_100000210776 [0,2,0,0,0,0|2,0,0]=4 19177 B13R1.6 OCCCCSc1cncc(n1)F 62a_100000210776_200009863489 [0,2,0,0,0,0|2,0,0]=4 19178 B13R1.6 OCCCCSc1cncc(n1)F 62a_200009863489_100000210776 [0,2,0,0,0,0|2,0,0]=4 19179 B13R1.6 OCCCCSc1cncc(n1)O 62a_100000210776_100011269956 [0,2,0,0,0,0|2,0,0]=4 19180 B13R1.6 OCCCCSc1nccc(n1)O 62a_100000210776_100011649813 [0,2,0,0,0,0|2,0,0]=4 19181 B13R1.6 OCCCNCc1cc(ccn1)Br 270004a_100000182051_100009818557 [0,2,0,0,0,0|1,0,0]=3 19182 B13R1.6 OCCCNCc1cc(ccn1)Cl 270004a_100000182051_100011998288 [0,2,0,0,0,0|1,0,0]=3 19183 B13R1.6 OCCCNCc1cccc(c1)Br 207a_100000182051_100000210085 [0,2,0,0,0,0|2,0,0]=4 19184 B13R1.6 OCCCNCc1cccc(c1)Br 2230a_100000174977_100000230001 [0,2,0,0,0,0|2,0,0]=4 19185 B13R1.6 OCCCNCc1cccc(c1)Br 270004a_100000182051_100000210085 [0,2,0,0,0,0|2,0,0]=4 19186 B13R1.6 OCCCNCc1cccc(c1)Br 34a_100000174977_100000230001 [0,2,0,0,0,0|2,0,0]=4 19187 B13R1.6 OCCCNCc1cccc(c1)Cl 207a_100000182051_100000210801 [0,2,0,0,0,0|2,0,0]=4 19188 B13R1.6 OCCCNCc1cccc(c1)Cl 2230a_100000174878_100000230001 [0,2,0,0,0,0|2,0,0]=4 19189 B13R1.6 OCCCNCc1cccc(c1)Cl 270004a_100000182051_100000210801 [0,2,0,0,0,0|2,0,0]=4 19190 B13R1.6 OCCCNCc1cccc(c1)Cl 34a_100000174878_100000230001 [0,2,0,0,0,0|2,0,0]=4 19191 B13R1.6 OCCCNCc1cccc(c1)F 207a_100000182051_100000210812 [0,2,0,0,0,0|2,0,0]=4 19192 B13R1.6 OCCCNCc1cccc(c1)F 2230a_100000174948_100000230001 [0,2,0,0,0,0|2,0,0]=4 19193 B13R1.6 OCCCNCc1cccc(c1)F 270004a_100000182051_100000210812 [0,2,0,0,0,0|2,0,0]=4 19194 B13R1.6 OCCCNCc1cccc(c1)F 34a_100000174948_100000230001 [0,2,0,0,0,0|2,0,0]=4 19195 B13R1.6 OCCCNCc1cccc(c1)I 207a_100000182051_100000014684 [0,2,0,0,0,0|2,0,0]=4 19196 B13R1.6 OCCCNCc1cccc(c1)I 2230a_100000106179_100000230001 [0,2,0,0,0,0|2,0,0]=4 19197 B13R1.6 OCCCNCc1cccc(c1)I 270004a_100000182051_100000014684 [0,2,0,0,0,0|2,0,0]=4 19198 B13R1.6 OCCCNCc1cccc(c1)I 34a_100000106179_100000230001 [0,2,0,0,0,0|2,0,0]=4 19199 B13R1.6 OCCCNCc1cccc(c1)O 207a_100000182051_100000188321 [0,2,0,0,0,0|2,0,0]=4 19200 B13R1.6 OCCCNCc1cccc(c1)O 2230a_100000743036_100000230001 [0,2,0,0,0,0|2,0,0]=4 19201 B13R1.6 OCCCNCc1cccc(c1)O 270004a_100000182051_100000188321 [0,2,0,0,0,0|2,0,0]=4 19202 B13R1.6 OCCCNCc1cccc(c1)O 34a_100000743036_100000230001 [0,2,0,0,0,0|2,0,0]=4 19203 B13R1.6 OCCCNCc1cccc(n1)Br 2230a_100016987751_100000230001 [0,2,0,0,0,0|1,0,0]=3 19204 B13R1.6 OCCCNCc1cccc(n1)Br 270004a_100000182051_100000688028 [0,2,0,0,0,0|1,0,0]=3 19205 B13R1.6 OCCCNCc1cccc(n1)Cl 2230a_100016990191_100000230001 [0,2,0,0,0,0|1,0,0]=3 19206 B13R1.6 OCCCNCc1cccc(n1)Cl 270004a_100000182051_100011361687 [0,2,0,0,0,0|1,0,0]=3 19207 B13R1.6 OCCCNCc1cccc(n1)F 2230a_100015188798_100000230001 [0,2,0,0,0,0|1,0,0]=3 19208 B13R1.6 OCCCNCc1cccc(n1)F 270004a_100000182051_100000050434 [0,2,0,0,0,0|1,0,0]=3 19209 B13R1.6 OCCCNCc1cccc(n1)F 34a_100015188798_100000230001 [0,2,0,0,0,0|1,0,0]=3 19210 B13R1.6 OCCCOCc1cc(ccn1)Cl 34a_100000748867_100000230001 [0,2,0,0,0,0|1,0,0]=3 19211 B13R1.6 OCCCOCc1cccc(c1)Br 34a_100000687537_100000230001 [0,2,0,0,0,0|2,0,0]=4 19212 B13R1.6 OCCCOCc1cccc(c1)Br 7a_100000687537_100011215043 [0,2,0,0,0,0|2,0,0]=4 19213 B13R1.6 OCCCOCc1cccc(c1)Cl 34a_100000241301_100000230001 [0,2,0,0,0,0|2,0,0]=4 19214 B13R1.6 OCCCOCc1cccc(c1)Cl 7a_100000241301_100011215043 [0,2,0,0,0,0|2,0,0]=4 19215 B13R1.6 OCCCOCc1cccc(c1)F 34a_100000210976_100000230001 [0,2,0,0,0,0|2,0,0]=4 19216 B13R1.6 OCCCOCc1cccc(c1)F 7a_100000210976_100011215043 [0,2,0,0,0,0|2,0,0]=4 19217 B13R1.6 OCCCOCc1cccc(c1)I 34a_100011215336_100000230001 [0,2,0,0,0,0|2,0,0]=4 19218 B13R1.6 OCCCOCc1cccc(c1)I 7a_100011215336_100011215043 [0,2,0,0,0,0|2,0,0]=4 19219 B13R1.6 OCCCOCc1cccc(n1)Br 34a_100000694195_100000230001 [0,2,0,0,0,0|1,0,0]=3 19220 B13R1.6 OCCCOCc1cccc(n1)Cl 34a_100011998359_100000230001 [0,2,0,0,0,0|1,0,0]=3 19221 B13R1.6 OCCCOCc1cccc(n1)F 34a_100000086748_100000230001 [0,2,0,0,0,0|1,0,0]=3 19222 B13R1.6 OCCCSCc1cc(ccn1)Br 62a_100010173614_100011215043 [0,2,0,0,0,0|1,0,0]=3 19223 B13R1.6 OCCCSCc1cc(ccn1)Br 62a_100011215043_100010173614 [0,2,0,0,0,0|1,0,0]=3 19224 B13R1.6 OCCCSCc1cc(ccn1)Cl 62a_100011215043_100016988179 [0,2,0,0,0,0|1,0,0]=3 19225 B13R1.6 OCCCSCc1cc(ccn1)Cl 62a_100016988179_100011215043 [0,2,0,0,0,0|1,0,0]=3 19226 B13R1.6 OCCCSCc1cccc(c1)Br 62a_100000211773_100011215043 [0,2,0,0,0,0|2,0,0]=4 19227 B13R1.6 OCCCSCc1cccc(c1)Br 62a_100011215043_100000211773 [0,2,0,0,0,0|2,0,0]=4 19228 B13R1.6 OCCCSCc1cccc(c1)Cl 62a_100000187163_100011215043 [0,2,0,0,0,0|2,0,0]=4 19229 B13R1.6 OCCCSCc1cccc(c1)Cl 62a_100011215043_100000187163 [0,2,0,0,0,0|2,0,0]=4 19230 B13R1.6 OCCCSCc1cccc(c1)F 62a_100000230114_100011215043 [0,2,0,0,0,0|2,0,0]=4 19231 B13R1.6 OCCCSCc1cccc(c1)F 62a_100011215043_100000230114 [0,2,0,0,0,0|2,0,0]=4 19232 B13R1.6 OCCCSCc1cccc(c1)I 62a_100011215043_100011218688 [0,2,0,0,0,0|2,0,0]=4 19233 B13R1.6 OCCCSCc1cccc(c1)I 62a_100011218688_100011215043 [0,2,0,0,0,0|2,0,0]=4 19234 B13R1.6 OCCCSCc1cccc(c1)O 62a_100011215043_100011660834 [0,2,0,0,0,0|2,0,0]=4 19235 B13R1.6 OCCCSCc1cccc(c1)O 62a_100011660834_100011215043 [0,2,0,0,0,0|2,0,0]=4 19236 B13R1.6 OCCCSCc1cccc(n1)Br 62a_100009889011_100011215043 [0,2,0,0,0,0|1,0,0]=3 19237 B13R1.6 OCCCSCc1cccc(n1)Br 62a_100011215043_100009889011 [0,2,0,0,0,0|1,0,0]=3 19238 B13R1.6 OCCCSCc1cccc(n1)Cl 62a_100000086093_100011215043 [0,2,0,0,0,0|1,0,0]=3 19239 B13R1.6 OCCCSCc1cccc(n1)Cl 62a_100011215043_100000086093 [0,2,0,0,0,0|1,0,0]=3 19240 B13R1.6 OCCCSCc1cccc(n1)F 62a_100009819644_100011215043 [0,2,0,0,0,0|1,0,0]=3 19241 B13R1.6 OCCCSCc1cccc(n1)F 62a_100011215043_100009819644 [0,2,0,0,0,0|1,0,0]=3 19242 B13R1.6 OCCCSCc1ccnc(n1)Cl 62a_100000099655_100011215043 [0,2,0,0,0,0|2,0,0]=4 19243 B13R1.6 OCCCSCc1ccnc(n1)Cl 62a_100011215043_100000099655 [0,2,0,0,0,0|2,0,0]=4 19244 B13R1.6 OCCNCCc1cccc(c1)Br 2230a_100011207229_100000211926 [0,2,0,0,0,0|2,0,0]=4 19245 B13R1.6 OCCNCCc1cccc(c1)Br 2230a_100016997473_100011740638 [0,2,0,0,0,0|2,0,0]=4 19246 B13R1.6 OCCNCCc1cccc(c1)Br 34a_100011207229_100000211926 [0,2,0,0,0,0|2,0,0]=4 19247 B13R1.6 OCCNCCc1cccc(c1)Br 34a_100016990907_100011740638 [0,2,0,0,0,0|2,0,0]=4 19248 B13R1.6 OCCNCCc1cccc(c1)Cl 2230a_100000185263_100000211926 [0,2,0,0,0,0|2,0,0]=4 19249 B13R1.6 OCCNCCc1cccc(c1)Cl 2230a_100016997473_100011713710 [0,2,0,0,0,0|2,0,0]=4 19250 B13R1.6 OCCNCCc1cccc(c1)Cl 34a_100000185263_100000211926 [0,2,0,0,0,0|2,0,0]=4 19251 B13R1.6 OCCNCCc1cccc(c1)Cl 34a_100016990907_100011713710 [0,2,0,0,0,0|2,0,0]=4 19252 B13R1.6 OCCNCCc1cccc(c1)F 2230a_100000205154_100000211926 [0,2,0,0,0,0|2,0,0]=4 19253 B13R1.6 OCCNCCc1cccc(c1)F 2230a_100016997473_100011217235 [0,2,0,0,0,0|2,0,0]=4 19254 B13R1.6 OCCNCCc1cccc(c1)F 34a_100000205154_100000211926 [0,2,0,0,0,0|2,0,0]=4 19255 B13R1.6 OCCNCCc1cccc(c1)F 34a_100016990907_100011217235 [0,2,0,0,0,0|2,0,0]=4 19256 B13R1.6 OCCNCCc1cccc(c1)O 2230a_100000747277_100000211926 [0,2,0,0,0,0|2,0,0]=4 19257 B13R1.6 OCCNCCc1cccc(c1)O 34a_100000747277_100000211926 [0,2,0,0,0,0|2,0,0]=4 19258 B13R1.6 OCCOCCc1cccc(c1)Br 34a_100011217444_100000211926 [0,2,0,0,0,0|2,0,0]=4 19259 B13R1.6 OCCOCCc1cccc(c1)Br 7a_100011217444_100000211926 [0,2,0,0,0,0|2,0,0]=4 19260 B13R1.6 OCCOCCc1cccc(c1)Cl 34a_100000754733_100000211926 [0,2,0,0,0,0|2,0,0]=4 19261 B13R1.6 OCCOCCc1cccc(c1)Cl 7a_100000754733_100000211926 [0,2,0,0,0,0|2,0,0]=4 19262 B13R1.6 OCCOCCc1cccc(c1)F 34a_100000763591_100000211926 [0,2,0,0,0,0|2,0,0]=4 19263 B13R1.6 OCCOCCc1cccc(c1)F 7a_100000763591_100000211926 [0,2,0,0,0,0|2,0,0]=4 19264 B13R1.6 OCCOCCc1cccc(n1)Br 34a_100010221043_100000211926 [0,2,0,0,0,0|1,0,0]=3 19265 B13R1.6 OCCOCCc1cccc(n1)Br 7a_100010221043_100000211926 [0,2,0,0,0,0|1,0,0]=3 19266 B13R1.6 OCCSCCc1cccc(c1)Br 62a_100000211926_100011740638 [0,2,0,0,0,0|2,0,0]=4 19267 B13R1.6 OCCSCCc1cccc(c1)Br 62a_100011740638_100000211926 [0,2,0,0,0,0|2,0,0]=4 19268 B13R1.6 OCCSCCc1cccc(c1)Cl 62a_100000211926_100011713710 [0,2,0,0,0,0|2,0,0]=4 19269 B13R1.6 OCCSCCc1cccc(c1)Cl 62a_100011713710_100000211926 [0,2,0,0,0,0|2,0,0]=4 19270 B13R1.6 OCCSCCc1cccc(c1)F 62a_100000211926_100011217235 [0,2,0,0,0,0|2,0,0]=4 19271 B13R1.6 OCCSCCc1cccc(c1)F 62a_100011217235_100000211926 [0,2,0,0,0,0|2,0,0]=4 19272 B13R1.6 Oc1cc(ncn1)SCCCCF 62a_100000729493_100000765262 [0,2,0,0,0,0|2,0,0]=4 19273 B13R1.6 Oc1cccc(c1)CCNCCF 2230a_100000747277_100011217306 [0,2,0,0,0,0|2,0,0]=4 19274 B13R1.6 Oc1cccc(c1)CCNCCF 34a_100000747277_100011217306 [0,2,0,0,0,0|2,0,0]=4 19275 B13R1.6 Oc1cccc(c1)CNCCCF 207a_100015189416_100000188321 [0,2,0,0,0,0|2,0,0]=4 19276 B13R1.6 Oc1cccc(c1)CNCCCF 2230a_100000743036_100011934791 [0,2,0,0,0,0|2,0,0]=4 19277 B13R1.6 Oc1cccc(c1)CNCCCF 2230a_100015189416_100011660834 [0,2,0,0,0,0|2,0,0]=4 19278 B13R1.6 Oc1cccc(c1)CNCCCF 270004a_100015189416_100000188321 [0,2,0,0,0,0|2,0,0]=4 19279 B13R1.6 Oc1cccc(c1)CNCCCF 34a_100000743036_100011934791 [0,2,0,0,0,0|2,0,0]=4 19280 B13R1.6 Oc1cccc(c1)CNCCCF 34a_100015189416_100011660834 [0,2,0,0,0,0|2,0,0]=4 19281 B13R1.6 Oc1cccc(c1)COCCCBr 34a_100011217188_100011660834 [0,2,0,0,0,0|2,0,0]=4 19282 B13R1.6 Oc1cccc(c1)COCCCCl 34a_100000230001_100011660834 [0,2,0,0,0,0|2,0,0]=4 19283 B13R1.6 Oc1cccc(c1)COCCCF 34a_100000759539_100011660834 [0,2,0,0,0,0|2,0,0]=4 19284 B13R1.6 Oc1cccc(c1)CSCCCF 62a_100011660834_100011934791 [0,2,0,0,0,0|2,0,0]=4 19285 B13R1.6 Oc1cccc(c1)CSCCCF 62a_100011934791_100011660834 [0,2,0,0,0,0|2,0,0]=4 19286 B13R1.6 Oc1cccc(c1)NCCCCF 34a_100000210217_100000729493 [0,2,0,0,0,0|2,0,0]=4 19287 B13R1.6 Oc1cccc(c1)SCCCCF 62a_100000729493_100000211634 [0,2,0,0,0,0|2,0,0]=4 19288 B13R1.6 Oc1ccnc(c1)SCCCCF 62a_100000729493_100000762945 [0,2,0,0,0,0|1,0,0]=3 19289 B13R1.6 Oc1ccnc(n1)SCCCCF 62a_100000729493_100011649813 [0,2,0,0,0,0|2,0,0]=4 19290 B13R1.6 Oc1cncc(n1)SCCCCF 62a_100000729493_100011269956 [0,2,0,0,0,0|2,0,0]=4 19291 B13R1.6 Oc1cnnc(c1)SCCCCF 62a_100000729493_200010734679 [0,2,0,0,0,0|2,0,0]=4 19292 B13R1.6 [13CH3]NCCCOc1cccc(c1)Cl 2230a_100011220311_200025704644 [0,2,0,0,0,0|2,0,0]=4 19293 B13R1.6 [13CH3]NCCCOc1cccc(c1)Cl 34a_100011220311_200025704644 [0,2,0,0,0,0|2,0,0]=4 19294 B13R1.6 [13CH3]NCCCOc1cccc(c1)F 2230a_100102661586_200025704644 [0,2,0,0,0,0|2,0,0]=4 19295 B13R1.6 [13CH3]NCCCOc1cccc(c1)F 34a_100102661586_200025704644 [0,2,0,0,0,0|2,0,0]=4 19296 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 2230a_200011225440_200025704644 [0,2,0,0,0,0|2,0,0]=4 19297 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 34a_200011225440_200025704644 [0,2,0,0,0,0|2,0,0]=4 19298 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 7a_200011225440_200025704644 [0,2,0,0,0,0|2,0,0]=4 19299 B13R1.6 [13CH3]OCCCOc1cccc(c1)F 34a_200011305857_200025704644 [0,2,0,0,0,0|2,0,0]=4 19300 B13R1.6 [13CH3]OCCCOc1cccc(c1)F 7a_200011305857_200025704644 [0,2,0,0,0,0|2,0,0]=4 19301 B13R1.6 [13CH3]OCCNCc1cccc(c1)Cl 34a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 19302 B13R1.6 [13CH3]OCCSCc1cccc(c1)F 34a_100011212928_200025704644 [0,2,0,0,0,0|2,0,0]=4 19303 B13R1.6 [13CH3]OCCSCc1cccc(c1)F 7a_100011212928_200025704644 [0,2,0,0,0,0|2,0,0]=4 19304 B13R1.6 [13CH3]SCCCOc1cccc(c1)Cl 62a_100000742658_200025704644 [0,2,0,0,0,0|2,0,0]=4 19305 B13R1.6 [13CH3]SCCCOc1cccc(c1)Cl 62a_200025704644_100000742658 [0,2,0,0,0,0|2,0,0]=4 19306 B13R1.6 [O-][n+]1ccnc(c1)NCCCCO 27a_100000750430_100009880115 [0,2,0,0,0,0|2,0,0]=4 19307 B13R1.6 [O-][n+]1ccnc(c1)SCCCCF 62a_100000729493_100009880115 [0,2,0,0,0,0|2,0,0]=4 19308 B13R1.6 [O-][n+]1ccnc(c1)SCCCCO 62a_100000210776_100009880115 [0,2,0,0,0,0|2,0,0]=4 19309 B13R1.24 C#CCCNC(C)c1ccccn1 2230a_100000181244_100000688953 [0,2,0,0,0,0|0,0,2]=4 19310 B13R1.24 C#CCNCC(O)c1ccccn1 2230a_100000691469_100000038162 [0,2,0,0,0,0|0,0,2]=4 19311 B13R1.24 C=CCCNC(C)c1ccccn1 2230a_100000181244_100000754431 [0,2,0,0,0,0|0,0,2]=4 19312 B13R1.24 C=CCCNC(C)c1ccccn1 269862a_100015191253_100000210467 [0,2,0,0,0,0|0,0,2]=4 19313 B13R1.24 C=CCNCC(O)c1ccccn1 2230a_100000691469_100000210623 [0,2,0,0,0,0|0,0,2]=4 19314 B13R1.24 CC#CCNC(C)c1ccccn1 2230a_100000181244_100000748600 [0,2,0,0,0,0|0,0,2]=4 19315 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [0,2,0,0,0,0|2,0,0]=4 19316 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [0,2,0,0,0,0|2,0,0]=4 19317 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [0,2,0,0,0,0|2,0,0]=4 19318 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [0,2,0,0,0,0|2,0,0]=4 19319 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [0,2,0,0,0,0|2,0,0]=4 19320 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [0,2,0,0,0,0|2,0,0]=4 19321 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [0,2,0,0,0,0|2,0,0]=4 19322 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [0,2,0,0,0,0|2,0,0]=4 19323 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,2,0,0,0,0|2,0,0]=4 19324 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,2,0,0,0,0|2,0,0]=4 19325 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,2,0,0,0,0|2,0,0]=4 19326 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,2,0,0,0,0|2,0,0]=4 19327 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,2,0,0,0,0|2,0,0]=4 19328 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,2,0,0,0,0|2,0,0]=4 19329 B13R1.24 CC(CSCCF)c1ccccc1 62a_100000756946_100011217306 [0,2,0,0,0,0|2,0,0]=4 19330 B13R1.24 CC(CSCCF)c1ccccc1 62a_100011217306_100000756946 [0,2,0,0,0,0|2,0,0]=4 19331 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000211926_100000756946 [0,2,0,0,0,0|2,0,0]=4 19332 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000756946_100000211926 [0,2,0,0,0,0|2,0,0]=4 19333 B13R1.24 CC(NCCC#N)c1ccccn1 2230a_100000181244_100011215226 [0,2,0,0,0,0|1,0,1]=4 19334 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,2,0,0,0,0|2,0,0]=4 19335 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,2,0,0,0,0|2,0,0]=4 19336 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,2,0,0,0,0|2,0,0]=4 19337 B13R1.24 CC(NCCCF)c1ccccn1 2230a_100000181244_100011934791 [0,2,0,0,0,0|1,0,0]=3 19338 B13R1.24 CC(NCCCF)c1ccccn1 269862a_100015189416_100000210467 [0,2,0,0,0,0|1,0,0]=3 19339 B13R1.24 CC(NCCCF)c1cccnn1 269862a_100015189416_100009866853 [0,2,0,0,0,0|2,0,0]=4 19340 B13R1.24 CC(NCCCF)c1cnccn1 2230a_100015189416_200000703233 [0,2,0,0,0,0|2,0,0]=4 19341 B13R1.24 CC(NCCCF)c1cnccn1 269862a_100015189416_100000751083 [0,2,0,0,0,0|2,0,0]=4 19342 B13R1.24 CC(NCCCF)c1ncccn1 2230a_100020641698_100011934791 [0,2,0,0,0,0|2,0,0]=4 19343 B13R1.24 CC(NCCCF)c1ncccn1 270004a_100015189416_100011350828 [0,2,0,0,0,0|2,0,0]=4 19344 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,2,0,0,0,0|2,0,0]=4 19345 B13R1.24 CC(NCCCO)c1ccccn1 2230a_100000181244_100000230001 [0,2,0,0,0,0|1,0,0]=3 19346 B13R1.24 CC(NCCCO)c1ccccn1 269862a_100000182051_100000210467 [0,2,0,0,0,0|1,0,0]=3 19347 B13R1.24 CC(NCCCO)c1cccnn1 269862a_100000182051_100009866853 [0,2,0,0,0,0|2,0,0]=4 19348 B13R1.24 CC(NCCCO)c1cnccn1 269862a_100000182051_100000751083 [0,2,0,0,0,0|2,0,0]=4 19349 B13R1.24 CC(NCCCO)c1ncccn1 2230a_100020641698_100000230001 [0,2,0,0,0,0|2,0,0]=4 19350 B13R1.24 CC(NCCCO)c1ncccn1 270004a_100000182051_100011350828 [0,2,0,0,0,0|2,0,0]=4 19351 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,2,0,0,0,0|2,0,0]=4 19352 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,2,0,0,0,0|2,0,0]=4 19353 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,2,0,0,0,0|2,0,0]=4 19354 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,2,0,0,0,0|2,0,0]=4 19355 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,2,0,0,0,0|2,0,0]=4 19356 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,2,0,0,0,0|2,0,0]=4 19357 B13R1.24 CC(SCCCF)c1cnccn1 62a_100011934791_200000703233 [0,2,0,0,0,0|2,0,0]=4 19358 B13R1.24 CC(SCCCF)c1cnccn1 62a_200000703233_100011934791 [0,2,0,0,0,0|2,0,0]=4 19359 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,2,0,0,0,0|2,0,0]=4 19360 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,2,0,0,0,0|2,0,0]=4 19361 B13R1.24 CC(SCCCO)c1cnccn1 62a_100011215043_200000703233 [0,2,0,0,0,0|2,0,0]=4 19362 B13R1.24 CC(SCCCO)c1cnccn1 62a_200000703233_100011215043 [0,2,0,0,0,0|2,0,0]=4 19363 B13R1.24 CC=CCNC(C)c1ccccn1 2230a_100000181244_100000070051 [0,2,0,0,0,0|0,0,2]=4 19364 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,2,0,0,0,0|1,0,0]=3 19365 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,2,0,0,0,0|1,0,0]=3 19366 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,2,0,0,0,0|1,0,0]=3 19367 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,2,0,0,0,0|1,0,0]=3 19368 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,2,0,0,0,0|1,0,0]=3 19369 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,2,0,0,0,0|1,0,0]=3 19370 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,2,0,0,0,0|1,0,0]=3 19371 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,2,0,0,0,0|1,0,0]=3 19372 B13R1.24 CCCCCN(C)c1cccnn1 27a_100000223495_100016991348 [0,2,0,0,0,0|1,0,0]=3 19373 B13R1.24 CCCCCN(C)c1ccncn1 27a_100000223495_100000703185 [0,2,0,0,0,0|1,0,0]=3 19374 B13R1.24 CCCCCN(C)c1cnccn1 27a_100000223495_100000211759 [0,2,0,0,0,0|1,0,0]=3 19375 B13R1.24 CCCCCN(C)c1ncccn1 27a_100000223495_100000211032 [0,2,0,0,0,0|1,0,0]=3 19376 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,2,0,0,0,0|1,0,0]=3 19377 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,2,0,0,0,0|1,0,0]=3 19378 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,2,0,0,0,0|1,0,0]=3 19379 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,2,0,0,0,0|1,0,0]=3 19380 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,2,0,0,0,0|1,0,1]=4 19381 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,2,0,0,0,0|1,0,1]=4 19382 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,2,0,0,0,0|1,0,1]=4 19383 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,2,0,0,0,0|1,0,1]=4 19384 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,2,0,0,0,0|1,0,0]=3 19385 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,2,0,0,0,0|1,0,0]=3 19386 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,2,0,0,0,0|1,0,0]=3 19387 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,2,0,0,0,0|0,0,0]=2 19388 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,2,0,0,0,0|0,0,0]=2 19389 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,2,0,0,0,0|2,0,0]=4 19390 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,2,0,0,0,0|2,0,0]=4 19391 B13R1.24 CCCCNC(C)c1cccnn1 269862a_100000102301_100009866853 [0,2,0,0,0,0|1,0,0]=3 19392 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [0,2,0,0,0,0|2,0,0]=4 19393 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [0,2,0,0,0,0|2,0,0]=4 19394 B13R1.24 CCCCNC(C)c1cnccn1 2230a_100000102301_200000703233 [0,2,0,0,0,0|1,0,0]=3 19395 B13R1.24 CCCCNC(C)c1cnccn1 269862a_100000102301_100000751083 [0,2,0,0,0,0|1,0,0]=3 19396 B13R1.24 CCCCNC(C)c1cnccn1 7a_106832991798_200000703233 [0,2,0,0,0,0|1,0,0]=3 19397 B13R1.24 CCCCNC(C)c1ncccn1 2230a_100020641698_100000210211 [0,2,0,0,0,0|1,0,0]=3 19398 B13R1.24 CCCCNC(C)c1ncccn1 270004a_100000102301_100011350828 [0,2,0,0,0,0|1,0,0]=3 19399 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,2,0,0,0,0|1,0,0]=3 19400 B13R1.24 CCCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210211 [0,2,0,0,0,0|1,0,0]=3 19401 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,2,0,0,0,0|1,0,0]=3 19402 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,2,0,0,0,0|1,0,0]=3 19403 B13R1.24 CCCCOC(C)c1cnccn1 7a_100000210227_200000703233 [0,2,0,0,0,0|1,0,0]=3 19404 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,2,0,0,0,0|1,0,0]=3 19405 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,2,0,0,0,0|1,0,0]=3 19406 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,2,0,0,0,0|1,0,0]=3 19407 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,2,0,0,0,0|1,0,0]=3 19408 B13R1.24 CCCCSC(C)c1cnccn1 62a_100000210211_200000703233 [0,2,0,0,0,0|1,0,0]=3 19409 B13R1.24 CCCCSC(C)c1cnccn1 62a_200000703233_100000210210 [0,2,0,0,0,0|1,0,0]=3 19410 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,2,0,0,0,0|1,0,0]=3 19411 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,2,0,0,0,0|1,0,0]=3 19412 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,2,0,0,0,0|1,0,0]=3 19413 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,2,0,0,0,0|1,0,0]=3 19414 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [0,2,0,0,0,0|0,0,0]=2 19415 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,2,0,0,0,0|2,0,0]=4 19416 B13R1.24 CCCNN=C(C)c1ccccn1 4a_100000740057_100000210467 [0,2,0,0,0,0|1,0,1]=4 19417 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [0,2,0,0,0,0|0,0,1]=3 19418 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,2,0,0,0,0|1,0,0]=3 19419 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,2,0,0,0,0|1,0,0]=3 19420 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,2,0,0,0,0|1,0,0]=3 19421 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,2,0,0,0,0|1,0,0]=3 19422 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|1,0,0]=3 19423 B13R1.24 CCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210303 [0,2,0,0,0,0|2,0,0]=4 19424 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,2,0,0,0,0|1,0,0]=3 19425 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,2,0,0,0,0|1,0,1]=4 19426 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,2,0,0,0,0|1,0,1]=4 19427 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [0,2,0,0,0,0|0,0,1]=3 19428 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [0,2,0,0,0,0|0,0,1]=3 19429 B13R1.24 CCCSCC(=O)c1ncccn1 62a_100000210303_100020636365 [0,2,0,0,0,0|1,0,1]=4 19430 B13R1.24 CCCSCC(=O)c1ncccn1 62a_100020636365_100000210303 [0,2,0,0,0,0|1,0,1]=4 19431 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,2,0,0,0,0|1,0,0]=3 19432 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,2,0,0,0,0|1,0,0]=3 19433 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,2,0,0,0,0|1,0,0]=3 19434 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,2,0,0,0,0|1,0,0]=3 19435 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [0,2,0,0,0,0|2,0,0]=4 19436 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,2,0,0,0,0|1,0,0]=3 19437 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,2,0,0,0,0|1,0,0]=3 19438 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,2,0,0,0,0|1,0,1]=4 19439 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,2,0,0,0,0|1,0,0]=3 19440 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,2,0,0,0,0|1,0,0]=3 19441 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,2,0,0,0,0|2,0,0]=4 19442 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,2,0,0,0,0|1,0,0]=3 19443 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,2,0,0,0,0|1,0,1]=4 19444 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [0,2,0,0,0,0|2,0,0]=4 19445 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [0,2,0,0,0,0|2,0,0]=4 19446 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [0,2,0,0,0,0|2,0,0]=4 19447 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,2,0,0,0,0|1,0,0]=3 19448 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,2,0,0,0,0|1,0,0]=3 19449 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,2,0,0,0,0|2,0,0]=4 19450 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,2,0,0,0,0|2,0,0]=4 19451 B13R1.24 CCOCSC(C)c1cnccn1 62a_100000739092_200000703233 [0,2,0,0,0,0|2,0,0]=4 19452 B13R1.24 CCOCSC(C)c1cnccn1 62a_200000703233_100000739092 [0,2,0,0,0,0|2,0,0]=4 19453 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,2,0,0,0,0|1,0,1]=4 19454 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,2,0,0,0,0|1,0,1]=4 19455 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,2,0,0,0,0|1,0,1]=4 19456 B13R1.24 CCSCCN(C)c1ccccc1 2230a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 19457 B13R1.24 CCSCCN(C)c1ccccc1 269982a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 19458 B13R1.24 CCSCCN(C)c1ccccc1 34a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 19459 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [0,2,0,0,0,0|2,0,0]=4 19460 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,2,0,0,0,0|1,0,0]=3 19461 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,2,0,0,0,0|1,0,0]=3 19462 B13R1.24 CN(CCCCF)c1ccccc1 2230a_100000210012_100000729493 [0,2,0,0,0,0|2,0,0]=4 19463 B13R1.24 CN(CCCCF)c1ccccc1 269982a_100000210012_100000729493 [0,2,0,0,0,0|2,0,0]=4 19464 B13R1.24 CN(CCCCF)c1ccccc1 34a_100000210012_100000729493 [0,2,0,0,0,0|2,0,0]=4 19465 B13R1.24 CN(CCCCO)c1ccccc1 2230a_100000210012_100000210776 [0,2,0,0,0,0|2,0,0]=4 19466 B13R1.24 CN(CCCCO)c1ccccc1 269982a_100000210012_100000210776 [0,2,0,0,0,0|2,0,0]=4 19467 B13R1.24 CN(CCCCO)c1ccccc1 34a_100000210012_100011216708 [0,2,0,0,0,0|2,0,0]=4 19468 B13R1.24 CN(CCCCO)c1cccnn1 27a_100000717598_100016991348 [0,2,0,0,0,0|2,0,0]=4 19469 B13R1.24 CN(CCCCO)c1ccncn1 27a_100000717598_100000703185 [0,2,0,0,0,0|2,0,0]=4 19470 B13R1.24 CN(CCCCO)c1cnccn1 27a_100000717598_100000211759 [0,2,0,0,0,0|2,0,0]=4 19471 B13R1.24 CN(CCCCO)c1ncccn1 27a_100000717598_100000211032 [0,2,0,0,0,0|2,0,0]=4 19472 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,2,0,0,0,0|1,0,1]=4 19473 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,2,0,0,0,0|1,0,1]=4 19474 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,2,0,0,0,0|1,0,1]=4 19475 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|1,0,0]=3 19476 B13R1.24 COCCCN(C)c1ccccc1 2230a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 19477 B13R1.24 COCCCN(C)c1ccccc1 269982a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 19478 B13R1.24 COCCCN(C)c1ccccc1 34a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 19479 B13R1.24 COCCCN(C)c1cccnn1 27a_100000224831_100016991348 [0,2,0,0,0,0|2,0,0]=4 19480 B13R1.24 COCCCN(C)c1ccncn1 27a_100000224831_100000703185 [0,2,0,0,0,0|2,0,0]=4 19481 B13R1.24 COCCCN(C)c1cnccn1 27a_100000224831_100000211759 [0,2,0,0,0,0|2,0,0]=4 19482 B13R1.24 COCCCN(C)c1ncccn1 27a_100000224831_100000211032 [0,2,0,0,0,0|2,0,0]=4 19483 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,2,0,0,0,0|2,0,0]=4 19484 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,2,0,0,0,0|2,0,0]=4 19485 B13R1.24 COCCNC(C)c1ccccn1 2230a_100000181244_100011201679 [0,2,0,0,0,0|1,0,0]=3 19486 B13R1.24 COCCNC(C)c1ccccn1 269862a_100000209980_100000210467 [0,2,0,0,0,0|1,0,0]=3 19487 B13R1.24 COCCNC(C)c1cccnn1 269862a_100000209980_100009866853 [0,2,0,0,0,0|2,0,0]=4 19488 B13R1.24 COCCNC(C)c1cnccn1 2230a_100000209980_200000703233 [0,2,0,0,0,0|2,0,0]=4 19489 B13R1.24 COCCNC(C)c1cnccn1 269862a_100000209980_100000751083 [0,2,0,0,0,0|2,0,0]=4 19490 B13R1.24 COCCNC(C)c1ncccn1 2230a_100020641698_100011201679 [0,2,0,0,0,0|2,0,0]=4 19491 B13R1.24 COCCNC(C)c1ncccn1 270004a_100000209980_100011350828 [0,2,0,0,0,0|2,0,0]=4 19492 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,2,0,0,0,0|2,0,0]=4 19493 B13R1.24 COCCN[C@H](C)c1cnccn1 2230a_100020589798_100011201679 [0,2,0,0,0,0|2,0,0]=4 19494 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,2,0,0,0,0|2,0,0]=4 19495 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,2,0,0,0,0|2,0,0]=4 19496 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,2,0,0,0,0|2,0,0]=4 19497 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,2,0,0,0,0|2,0,0]=4 19498 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,2,0,0,0,0|2,0,0]=4 19499 B13R1.24 COCCSC(C)c1cnccn1 62a_100000233755_200000703233 [0,2,0,0,0,0|2,0,0]=4 19500 B13R1.24 COCCSC(C)c1cnccn1 62a_200000703233_100000233755 [0,2,0,0,0,0|2,0,0]=4 19501 B13R1.24 COCNCC(C)c1ccccc1 2230a_100000701038_100000766300 [0,2,0,0,0,0|2,0,0]=4 19502 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [0,2,0,0,0,0|2,0,0]=4 19503 B13R1.24 COCNCC(O)c1ccccn1 2230a_100000691469_100000766300 [0,2,0,0,0,0|1,0,0]=3 19504 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000027445_100000766300 [0,2,0,0,0,0|1,0,1]=4 19505 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000766300_100000027445 [0,2,0,0,0,0|1,0,1]=4 19506 B13R1.24 COCSCC(C)c1ccccc1 62a_100000756946_100000766300 [0,2,0,0,0,0|2,0,0]=4 19507 B13R1.24 COCSCC(C)c1ccccc1 62a_100000766300_100000756946 [0,2,0,0,0,0|2,0,0]=4 19508 B13R1.24 COCSCC(O)c1ccccc1 62a_100000185958_100000766300 [0,2,0,0,0,0|2,0,0]=4 19509 B13R1.24 COCSCC(O)c1ccccc1 62a_100000766300_100000185958 [0,2,0,0,0,0|2,0,0]=4 19510 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100000766300_100011933945 [0,2,0,0,0,0|2,0,0]=4 19511 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766300 [0,2,0,0,0,0|2,0,0]=4 19512 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,2,0,0,0,0|1,0,1]=4 19513 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,2,0,0,0,0|1,0,1]=4 19514 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,2,0,0,0,0|2,0,0]=4 19515 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,2,0,0,0,0|2,0,0]=4 19516 B13R1.24 CSCCNC(C)c1ccccn1 2230a_100000181244_100000751147 [0,2,0,0,0,0|1,0,0]=3 19517 B13R1.24 CSCCNC(C)c1ccccn1 269862a_100020590264_100000210467 [0,2,0,0,0,0|1,0,0]=3 19518 B13R1.24 CSCCNC(C)c1cccnn1 269862a_100020590264_100009866853 [0,2,0,0,0,0|2,0,0]=4 19519 B13R1.24 CSCCNC(C)c1cnccn1 2230a_100020590264_200000703233 [0,2,0,0,0,0|2,0,0]=4 19520 B13R1.24 CSCCNC(C)c1cnccn1 269862a_100020590264_100000751083 [0,2,0,0,0,0|2,0,0]=4 19521 B13R1.24 CSCCNC(C)c1ncccn1 2230a_100020641698_100000751147 [0,2,0,0,0,0|2,0,0]=4 19522 B13R1.24 CSCCNC(C)c1ncccn1 270004a_100020590264_100011350828 [0,2,0,0,0,0|2,0,0]=4 19523 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,2,0,0,0,0|2,0,0]=4 19524 B13R1.24 CSCCN[C@H](C)c1cnccn1 2230a_100020589798_100000751147 [0,2,0,0,0,0|2,0,0]=4 19525 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,2,0,0,0,0|2,0,0]=4 19526 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,2,0,0,0,0|2,0,0]=4 19527 B13R1.24 CSCCOC(C)c1cnccn1 7a_100000230434_200000703233 [0,2,0,0,0,0|2,0,0]=4 19528 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,2,0,0,0,0|2,0,0]=4 19529 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,2,0,0,0,0|2,0,0]=4 19530 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,2,0,0,0,0|2,0,0]=4 19531 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,2,0,0,0,0|2,0,0]=4 19532 B13R1.24 CSCCSC(C)c1cnccn1 62a_100000212216_200000703233 [0,2,0,0,0,0|2,0,0]=4 19533 B13R1.24 CSCCSC(C)c1cnccn1 62a_200000703233_100000751147 [0,2,0,0,0,0|2,0,0]=4 19534 B13R1.24 CSCNCC(C)c1ccccc1 2230a_100000701038_100011218213 [0,2,0,0,0,0|2,0,0]=4 19535 B13R1.24 CSCNCC(C)c1ccccc1 34a_100000701038_100011218213 [0,2,0,0,0,0|2,0,0]=4 19536 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [0,2,0,0,0,0|2,0,0]=4 19537 B13R1.24 CSCNCC(O)c1ccccn1 2230a_100000691469_100011218213 [0,2,0,0,0,0|1,0,0]=3 19538 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,2,0,0,0,0|2,0,0]=4 19539 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,2,0,0,0,0|2,0,0]=4 19540 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100000027445_100011218213 [0,2,0,0,0,0|1,0,1]=4 19541 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100011218213_100000027445 [0,2,0,0,0,0|1,0,1]=4 19542 B13R1.24 CSCSCC(C)c1ccccc1 62a_100000756946_100011218213 [0,2,0,0,0,0|2,0,0]=4 19543 B13R1.24 CSCSCC(C)c1ccccc1 62a_100011218213_100000756946 [0,2,0,0,0,0|2,0,0]=4 19544 B13R1.24 CSCSCC(O)c1ccccc1 62a_100000185958_100011218213 [0,2,0,0,0,0|2,0,0]=4 19545 B13R1.24 CSCSCC(O)c1ccccc1 62a_100011218213_100000185958 [0,2,0,0,0,0|2,0,0]=4 19546 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011218213_100011933945 [0,2,0,0,0,0|2,0,0]=4 19547 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100011218213 [0,2,0,0,0,0|2,0,0]=4 19548 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,2,0,0,0,0|2,0,0]=4 19549 B13R1.24 C[C@@H](NCCCF)c1cnccn1 2230a_100020589798_100011934791 [0,2,0,0,0,0|2,0,0]=4 19550 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,2,0,0,0,0|2,0,0]=4 19551 B13R1.24 C[C@@H](NCCCO)c1cnccn1 2230a_100020589798_100000230001 [0,2,0,0,0,0|2,0,0]=4 19552 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,2,0,0,0,0|2,0,0]=4 19553 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,2,0,0,0,0|2,0,0]=4 19554 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,2,0,0,0,0|2,0,0]=4 19555 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,2,0,0,0,0|2,0,0]=4 19556 B13R1.24 N#CCNCC(O)c1ccccn1 2230a_100000691469_100011215382 [0,2,0,0,0,0|1,0,1]=4 19557 B13R1.24 NCCOCC(=O)c1ccccn1 34a_100000210304_100000027445 [0,2,0,0,0,0|1,0,1]=4 19558 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,2,0,0,0,0|2,0,0]=4 19559 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,2,0,0,0,0|2,0,0]=4 19560 B13R1.24 N[C@@H](CCOCF)c1ccccc1 34a_100025705951_100015361967 [0,2,0,0,0,0|2,0,0]=4 19561 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,2,0,0,0,0|2,0,0]=4 19562 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,2,0,0,0,0|2,0,0]=4 19563 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,2,0,0,0,0|1,0,1]=4 19564 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,2,0,0,0,0|1,0,1]=4 19565 B13R1.24 O=C(CNCCF)c1ccccn1 34a_100000724931_100000027445 [0,2,0,0,0,0|1,0,1]=4 19566 B13R1.24 O=C(CNCCO)c1ccccn1 34a_100016990907_100000027445 [0,2,0,0,0,0|1,0,1]=4 19567 B13R1.24 O=C(COCCBr)c1ccccn1 34a_100000211926_100000027445 [0,2,0,0,0,0|1,0,1]=4 19568 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100000027445_100011217306 [0,2,0,0,0,0|1,0,1]=4 19569 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100011217306_100000027445 [0,2,0,0,0,0|1,0,1]=4 19570 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000027445_100000211926 [0,2,0,0,0,0|1,0,1]=4 19571 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000211926_100000027445 [0,2,0,0,0,0|1,0,1]=4 19572 B13R1.24 O=CCNCC(O)c1ccccn1 2230a_100000691469_200015260668 [0,2,0,0,0,0|1,0,1]=4 19573 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [0,2,0,0,0,0|2,0,0]=4 19574 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [0,2,0,0,0,0|2,0,0]=4 19575 B13R1.24 OC(CNCCF)c1ccccn1 2230a_100000691469_100011217306 [0,2,0,0,0,0|1,0,0]=3 19576 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,2,0,0,0,0|2,0,0]=4 19577 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [0,2,0,0,0,0|2,0,0]=4 19578 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [0,2,0,0,0,0|2,0,0]=4 19579 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [0,2,0,0,0,0|2,0,0]=4 19580 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [0,2,0,0,0,0|2,0,0]=4 19581 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [0,2,0,0,0,0|2,0,0]=4 19582 B13R1.24 OCCNCC(O)c1ccccn1 2230a_100000691469_100000211926 [0,2,0,0,0,0|1,0,0]=3 19583 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [0,2,0,0,0,0|2,0,0]=4 19584 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [0,2,0,0,0,0|2,0,0]=4 19585 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [0,2,0,0,0,0|2,0,0]=4 19586 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [0,2,0,0,0,0|2,0,0]=4 19587 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [0,2,0,0,0,0|2,0,0]=4 19588 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 19589 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100000729684_100015361967 [0,2,0,0,0,0|2,0,0]=4 19590 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100015361967_100000729684 [0,2,0,0,0,0|2,0,0]=4 19591 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [0,2,0,0,0,0|2,0,0]=4 19592 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,2,0,0,0,0|2,0,0]=4 19593 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [0,2,0,0,0,0|2,0,0]=4 19594 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [0,2,0,0,0,0|2,0,0]=4 19595 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|1,0,0]=3 19596 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,2,0,0,0,0|1,0,1]=4 19597 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,2,0,0,0,0|1,0,1]=4 19598 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [0,2,0,0,0,0|1,0,0]=3 19599 B13R1.28 BrCCCCOCc1ccccn1 34a_100011216708_100000721315 [0,2,0,0,0,0|0,0,0]=2 19600 B13R1.28 BrCCCCOCc1cccnc1 34a_100011216708_100000733263 [0,2,0,0,0,0|2,0,0]=4 19601 B13R1.28 BrCCCCOCc1cccnn1 34a_100011216708_100016990269 [0,2,0,0,0,0|1,0,0]=3 19602 B13R1.28 BrCCCCOCc1cnccn1 34a_100011216708_100016995436 [0,2,0,0,0,0|1,0,0]=3 19603 B13R1.28 BrCCCCOCc1ncccn1 34a_100011216708_100000703007 [0,2,0,0,0,0|1,0,0]=3 19604 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [0,2,0,0,0,0|1,0,0]=3 19605 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [0,2,0,0,0,0|1,0,0]=3 19606 B13R1.28 BrCCOCCOc1ccccc1 34a_100000211926_100000184471 [0,2,0,0,0,0|2,0,0]=4 19607 B13R1.28 BrCCOCCSc1ccccc1 34a_100000211926_100000246102 [0,2,0,0,0,0|2,0,0]=4 19608 B13R1.28 BrCCOCOCc1ccccc1 34a_100000211926_100000763385 [0,2,0,0,0,0|2,0,0]=4 19609 B13R1.28 BrCCOCSCc1ccccc1 34a_100000211926_200011217039 [0,2,0,0,0,0|2,0,0]=4 19610 B13R1.28 C#CCCCCNc1ccccc1 34a_100000106764_100010269958 [0,2,0,0,0,0|1,0,1]=4 19611 B13R1.28 C#CCCCCNc1cccnn1 27a_100000706060_100016991348 [0,2,0,0,0,0|1,0,1]=4 19612 B13R1.28 C#CCCCCNc1ccncn1 27a_100000706060_100000703185 [0,2,0,0,0,0|1,0,1]=4 19613 B13R1.28 C#CCCCCNc1cnccn1 27a_100000706060_100000211759 [0,2,0,0,0,0|1,0,1]=4 19614 B13R1.28 C#CCCCCNc1ncccn1 27a_100000706060_100000211032 [0,2,0,0,0,0|1,0,1]=4 19615 B13R1.28 C#CCCCCOc1ccccc1 34a_100000210340_100010269958 [0,2,0,0,0,0|1,0,1]=4 19616 B13R1.28 C#CCCCCOc1ccccc1 7a_100000210340_100010269958 [0,2,0,0,0,0|1,0,1]=4 19617 B13R1.28 C#CCCCCSc1ccccc1 62a_100000719477_100010269958 [0,2,0,0,0,0|1,0,1]=4 19618 B13R1.28 C#CCCCCSc1ccccc1 62a_100010269958_100000041952 [0,2,0,0,0,0|1,0,1]=4 19619 B13R1.28 C#CCCCCSc1ccccn1 62a_100010269958_100011216584 [0,2,0,0,0,0|0,0,1]=3 19620 B13R1.28 C#CCCCCSc1ccccn1 62a_100011216584_100010269958 [0,2,0,0,0,0|0,0,1]=3 19621 B13R1.28 C#CCCCCSc1cccnn1 62a_100010269958_100016991348 [0,2,0,0,0,0|1,0,1]=4 19622 B13R1.28 C#CCCCCSc1cccnn1 62a_100016991348_100010269958 [0,2,0,0,0,0|1,0,1]=4 19623 B13R1.28 C#CCCCCSc1ccncn1 62a_100000703185_100010269958 [0,2,0,0,0,0|1,0,1]=4 19624 B13R1.28 C#CCCCCSc1ccncn1 62a_100010269958_100000703185 [0,2,0,0,0,0|1,0,1]=4 19625 B13R1.28 C#CCCCCSc1cnccn1 62a_100000211759_100010269958 [0,2,0,0,0,0|1,0,1]=4 19626 B13R1.28 C#CCCCCSc1cnccn1 62a_100010269958_100000211759 [0,2,0,0,0,0|1,0,1]=4 19627 B13R1.28 C#CCCCCSc1ncccn1 62a_100000211032_100010269958 [0,2,0,0,0,0|1,0,1]=4 19628 B13R1.28 C#CCCCCSc1ncccn1 62a_100010269958_100000211032 [0,2,0,0,0,0|1,0,1]=4 19629 B13R1.28 C#CCCCNCc1ccccc1 207a_100000718082_100015611070 [0,2,0,0,0,0|1,0,1]=4 19630 B13R1.28 C#CCCCNCc1ccccc1 2230a_100015324214_100000731252 [0,2,0,0,0,0|1,0,1]=4 19631 B13R1.28 C#CCCCNCc1ccccc1 270004a_100000718082_100015611070 [0,2,0,0,0,0|1,0,1]=4 19632 B13R1.28 C#CCCCNCc1ccccc1 34a_100000718082_100015291786 [0,2,0,0,0,0|1,0,1]=4 19633 B13R1.28 C#CCCCNCc1ccccc1 34a_100015324214_100000695029 [0,2,0,0,0,0|1,0,1]=4 19634 B13R1.28 C#CCCCNCc1ccccn1 207a_100000718082_100000209966 [0,2,0,0,0,0|0,0,1]=3 19635 B13R1.28 C#CCCCNCc1ccccn1 270004a_100000718082_100000209966 [0,2,0,0,0,0|0,0,1]=3 19636 B13R1.28 C#CCCCNCc1ccccn1 34a_100000718082_100000721315 [0,2,0,0,0,0|0,0,1]=3 19637 B13R1.28 C#CCCCNCc1cccnn1 2230a_100159270163_100000731252 [0,2,0,0,0,0|1,0,1]=4 19638 B13R1.28 C#CCCCNCc1cccnn1 34a_100000718082_100016990269 [0,2,0,0,0,0|1,0,1]=4 19639 B13R1.28 C#CCCCNCc1cnccn1 270004a_100000718082_100000749867 [0,2,0,0,0,0|1,0,1]=4 19640 B13R1.28 C#CCCCNCc1cnccn1 34a_100000718082_100016995436 [0,2,0,0,0,0|1,0,1]=4 19641 B13R1.28 C#CCCCNCc1ncccn1 270004a_100000718082_100011532527 [0,2,0,0,0,0|1,0,1]=4 19642 B13R1.28 C#CCCCNCc1ncccn1 34a_100000718082_100000703007 [0,2,0,0,0,0|1,0,1]=4 19643 B13R1.28 C#CCCCOCc1ccccc1 34a_100000210790_100000695029 [0,2,0,0,0,0|1,0,1]=4 19644 B13R1.28 C#CCCCOCc1ccccc1 34a_100000215630_100015291786 [0,2,0,0,0,0|1,0,1]=4 19645 B13R1.28 C#CCCCOCc1ccccc1 7a_100000210790_100011215417 [0,2,0,0,0,0|1,0,1]=4 19646 B13R1.28 C#CCCCOCc1ccccc1 7a_100000215630_100000211182 [0,2,0,0,0,0|1,0,1]=4 19647 B13R1.28 C#CCCCOCc1ccccn1 34a_100000215630_100000721315 [0,2,0,0,0,0|0,0,1]=3 19648 B13R1.28 C#CCCCOCc1ccccn1 7a_100000215630_100000721315 [0,2,0,0,0,0|0,0,1]=3 19649 B13R1.28 C#CCCCOCc1cccnn1 34a_100000215630_100016990269 [0,2,0,0,0,0|1,0,1]=4 19650 B13R1.28 C#CCCCOCc1cccnn1 7a_100000215630_100016990269 [0,2,0,0,0,0|1,0,1]=4 19651 B13R1.28 C#CCCCOCc1cnccn1 34a_100000215630_100016995436 [0,2,0,0,0,0|1,0,1]=4 19652 B13R1.28 C#CCCCOCc1cnccn1 7a_100000215630_100016995436 [0,2,0,0,0,0|1,0,1]=4 19653 B13R1.28 C#CCCCOCc1ncccn1 34a_100000215630_100000703007 [0,2,0,0,0,0|1,0,1]=4 19654 B13R1.28 C#CCCCOCc1ncccn1 7a_100000215630_100000703007 [0,2,0,0,0,0|1,0,1]=4 19655 B13R1.28 C#CCCCSCc1ccccc1 62a_100000211182_100011215417 [0,2,0,0,0,0|1,0,1]=4 19656 B13R1.28 C#CCCCSCc1ccccc1 62a_100011215417_100015291786 [0,2,0,0,0,0|1,0,1]=4 19657 B13R1.28 C#CCCCSCc1ccccn1 62a_100000721315_100011215417 [0,2,0,0,0,0|0,0,1]=3 19658 B13R1.28 C#CCCCSCc1ccccn1 62a_100011215417_100000721315 [0,2,0,0,0,0|0,0,1]=3 19659 B13R1.28 C#CCCCSCc1cccnn1 62a_100011215417_100016990269 [0,2,0,0,0,0|1,0,1]=4 19660 B13R1.28 C#CCCCSCc1cccnn1 62a_100016990269_100011215417 [0,2,0,0,0,0|1,0,1]=4 19661 B13R1.28 C#CCCCSCc1cnccn1 62a_100011215417_100016995436 [0,2,0,0,0,0|1,0,1]=4 19662 B13R1.28 C#CCCCSCc1cnccn1 62a_100016995436_100011215417 [0,2,0,0,0,0|1,0,1]=4 19663 B13R1.28 C#CCCCSCc1ncccn1 62a_100000703007_100011215417 [0,2,0,0,0,0|1,0,1]=4 19664 B13R1.28 C#CCCCSCc1ncccn1 62a_100011215417_100000703007 [0,2,0,0,0,0|1,0,1]=4 19665 B13R1.28 C#CCCNCCc1ccccc1 2230a_100000106460_100000688953 [0,2,0,0,0,0|1,0,1]=4 19666 B13R1.28 C#CCCNCCc1ccccc1 34a_100000106460_100000688953 [0,2,0,0,0,0|1,0,1]=4 19667 B13R1.28 C#CCCNCCc1ccccc1 34a_100000755551_100000765856 [0,2,0,0,0,0|1,0,1]=4 19668 B13R1.28 C#CCCOCCc1ccccc1 34a_100000210268_100000688953 [0,2,0,0,0,0|1,0,1]=4 19669 B13R1.28 C#CCCOCCc1ccccc1 34a_100011215631_100000765856 [0,2,0,0,0,0|1,0,1]=4 19670 B13R1.28 C#CCCOCCc1ccccc1 7a_100000210268_100000688953 [0,2,0,0,0,0|1,0,1]=4 19671 B13R1.28 C#CCCOCCc1ccccn1 34a_100000210271_100000688953 [0,2,0,0,0,0|0,0,1]=3 19672 B13R1.28 C#CCCOCCc1cnccn1 34a_100011349526_100000688953 [0,2,0,0,0,0|1,0,1]=4 19673 B13R1.28 C#CCCSCCc1ccccc1 62a_100000688953_100011218657 [0,2,0,0,0,0|1,0,1]=4 19674 B13R1.28 C#CCCSCCc1ccccc1 62a_100000765856_100000688953 [0,2,0,0,0,0|1,0,1]=4 19675 B13R1.28 C#CCCSCCc1ccccn1 62a_100000688953_100015183660 [0,2,0,0,0,0|0,0,1]=3 19676 B13R1.28 C#CCCSCCc1ccccn1 62a_100015183660_100000688953 [0,2,0,0,0,0|0,0,1]=3 19677 B13R1.28 C#CCNCCCc1ccccc1 2230a_100000211184_100000038162 [0,2,0,0,0,0|1,0,1]=4 19678 B13R1.28 C#CCNCCCc1ccccc1 34a_100000211184_100000184674 [0,2,0,0,0,0|1,0,1]=4 19679 B13R1.28 C#CCNCCCc1ccccc1 34a_100000212058_100000211621 [0,2,0,0,0,0|1,0,1]=4 19680 B13R1.28 C#CCNCCOc1ccccn1 2230a_106741647558_100000038162 [0,2,0,0,0,0|0,0,2]=4 19681 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210247_100000211621 [0,2,0,0,0,0|1,0,1]=4 19682 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210828_100000184674 [0,2,0,0,0,0|1,0,1]=4 19683 B13R1.28 C#CCOCCCc1ccccc1 7a_100000210828_100000038162 [0,2,0,0,0,0|1,0,1]=4 19684 B13R1.28 C#CCOCCCc1ccccn1 34a_100011215068_100000184674 [0,2,0,0,0,0|0,0,1]=3 19685 B13R1.28 C#CCOCCSc1ccccn1 62a_100010402529_100011216584 [0,2,0,0,0,0|0,0,2]=4 19686 B13R1.28 C#CCOCCSc1ccccn1 62a_100011216584_100010402529 [0,2,0,0,0,0|0,0,2]=4 19687 B13R1.28 C#CCOCCSc1ccccn1 7a_100000156319_100000038162 [0,2,0,0,0,0|0,0,2]=4 19688 B13R1.28 C#CCSCCCc1ccccc1 62a_100000038162_100000211621 [0,2,0,0,0,0|1,0,1]=4 19689 B13R1.28 C/C=C/CCOCc1ccccc1 34a_100016278192_100015291786 [0,2,0,0,0,0|1,0,1]=4 19690 B13R1.28 C/C=C/CCOCc1ccccn1 34a_100016278192_100000721315 [0,2,0,0,0,0|0,0,1]=3 19691 B13R1.28 C/C=C/CCOCc1cccnn1 34a_100016278192_100016990269 [0,2,0,0,0,0|1,0,1]=4 19692 B13R1.28 C/C=C/CCOCc1cnccn1 34a_100016278192_100016995436 [0,2,0,0,0,0|1,0,1]=4 19693 B13R1.28 C/C=C/CCOCc1ncccn1 34a_100016278192_100000703007 [0,2,0,0,0,0|1,0,1]=4 19694 B13R1.28 C/C=C/CNCCc1ccccc1 34a_100000106460_100102629194 [0,2,0,0,0,0|1,0,1]=4 19695 B13R1.28 C/C=C/COCCc1ccccc1 34a_100000210268_100102629194 [0,2,0,0,0,0|1,0,1]=4 19696 B13R1.28 C/C=C/COCCc1ccccc1 34a_100016270725_100000765856 [0,2,0,0,0,0|1,0,1]=4 19697 B13R1.28 C/C=C/COCCc1ccccc1 7a_100000210268_100102629194 [0,2,0,0,0,0|1,0,1]=4 19698 B13R1.28 C/C=C/COCCc1ccccn1 34a_100000210271_100102629194 [0,2,0,0,0,0|0,0,1]=3 19699 B13R1.28 C/C=C/COCCc1cnccn1 34a_100011349526_100102629194 [0,2,0,0,0,0|1,0,1]=4 19700 B13R1.28 C/C=C/CSCCc1ccccc1 62a_100000765856_100102629194 [0,2,0,0,0,0|1,0,1]=4 19701 B13R1.28 C/C=C/CSCCc1ccccc1 62a_100102629194_100011218657 [0,2,0,0,0,0|1,0,1]=4 19702 B13R1.28 C/C=C/CSCCc1ccccn1 62a_100015183660_100102629194 [0,2,0,0,0,0|0,0,1]=3 19703 B13R1.28 C/C=C/CSCCc1ccccn1 62a_100102629194_100015183660 [0,2,0,0,0,0|0,0,1]=3 19704 B13R1.28 C=CCCCCNc1ccccc1 34a_100000106764_100011215482 [0,2,0,0,0,0|1,0,1]=4 19705 B13R1.28 C=CCCCCNc1cccnn1 27a_100000703577_100016991348 [0,2,0,0,0,0|1,0,1]=4 19706 B13R1.28 C=CCCCCNc1ccncn1 27a_100000703577_100000703185 [0,2,0,0,0,0|1,0,1]=4 19707 B13R1.28 C=CCCCCNc1cnccn1 27a_100000703577_100000211759 [0,2,0,0,0,0|1,0,1]=4 19708 B13R1.28 C=CCCCCNc1ncccn1 27a_100000703577_100000211032 [0,2,0,0,0,0|1,0,1]=4 19709 B13R1.28 C=CCCCCOc1ccccc1 34a_100000210340_100011215482 [0,2,0,0,0,0|1,0,1]=4 19710 B13R1.28 C=CCCCCOc1ccccc1 7a_100000210340_100011215482 [0,2,0,0,0,0|1,0,1]=4 19711 B13R1.28 C=CCCCCSc1ccccc1 62a_100000719477_100011215482 [0,2,0,0,0,0|1,0,1]=4 19712 B13R1.28 C=CCCCCSc1ccccc1 62a_100011215482_100000041952 [0,2,0,0,0,0|1,0,1]=4 19713 B13R1.28 C=CCCCCSc1ccccn1 62a_100011215482_100011216584 [0,2,0,0,0,0|0,0,1]=3 19714 B13R1.28 C=CCCCCSc1ccccn1 62a_100011216584_100011215482 [0,2,0,0,0,0|0,0,1]=3 19715 B13R1.28 C=CCCCCSc1cccnn1 62a_100011215482_100016991348 [0,2,0,0,0,0|1,0,1]=4 19716 B13R1.28 C=CCCCCSc1cccnn1 62a_100016991348_100011215482 [0,2,0,0,0,0|1,0,1]=4 19717 B13R1.28 C=CCCCCSc1ccncn1 62a_100000703185_100011215482 [0,2,0,0,0,0|1,0,1]=4 19718 B13R1.28 C=CCCCCSc1ccncn1 62a_100011215482_100000703185 [0,2,0,0,0,0|1,0,1]=4 19719 B13R1.28 C=CCCCCSc1cnccn1 62a_100000211759_100011215482 [0,2,0,0,0,0|1,0,1]=4 19720 B13R1.28 C=CCCCCSc1cnccn1 62a_100011215482_100000211759 [0,2,0,0,0,0|1,0,1]=4 19721 B13R1.28 C=CCCCCSc1ncccn1 62a_100000211032_100011215482 [0,2,0,0,0,0|1,0,1]=4 19722 B13R1.28 C=CCCCCSc1ncccn1 62a_100011215482_100000211032 [0,2,0,0,0,0|1,0,1]=4 19723 B13R1.28 C=CCCCNCc1ccccc1 2230a_100000700776_100015291786 [0,2,0,0,0,0|1,0,1]=4 19724 B13R1.28 C=CCCCNCc1ccccc1 2230a_100015324214_100011713584 [0,2,0,0,0,0|1,0,1]=4 19725 B13R1.28 C=CCCCNCc1ccccc1 270004a_100000700776_100015611070 [0,2,0,0,0,0|1,0,1]=4 19726 B13R1.28 C=CCCCNCc1ccccc1 34a_100000700776_100015291786 [0,2,0,0,0,0|1,0,1]=4 19727 B13R1.28 C=CCCCNCc1ccccc1 34a_100015324214_100000757094 [0,2,0,0,0,0|1,0,1]=4 19728 B13R1.28 C=CCCCNCc1ccccn1 2230a_100000700776_100000721315 [0,2,0,0,0,0|0,0,1]=3 19729 B13R1.28 C=CCCCNCc1ccccn1 270004a_100000700776_100000209966 [0,2,0,0,0,0|0,0,1]=3 19730 B13R1.28 C=CCCCNCc1ccccn1 34a_100000700776_100000721315 [0,2,0,0,0,0|0,0,1]=3 19731 B13R1.28 C=CCCCNCc1cccnn1 2230a_100000700776_100016990269 [0,2,0,0,0,0|1,0,1]=4 19732 B13R1.28 C=CCCCNCc1cccnn1 2230a_100159270163_100011713584 [0,2,0,0,0,0|1,0,1]=4 19733 B13R1.28 C=CCCCNCc1cccnn1 34a_100000700776_100016990269 [0,2,0,0,0,0|1,0,1]=4 19734 B13R1.28 C=CCCCNCc1cnccn1 2230a_100000700776_100016995436 [0,2,0,0,0,0|1,0,1]=4 19735 B13R1.28 C=CCCCNCc1cnccn1 270004a_100000700776_100000749867 [0,2,0,0,0,0|1,0,1]=4 19736 B13R1.28 C=CCCCNCc1cnccn1 34a_100000700776_100016995436 [0,2,0,0,0,0|1,0,1]=4 19737 B13R1.28 C=CCCCNCc1ncccn1 2230a_100000700776_100000703007 [0,2,0,0,0,0|1,0,1]=4 19738 B13R1.28 C=CCCCNCc1ncccn1 270004a_100000700776_100011532527 [0,2,0,0,0,0|1,0,1]=4 19739 B13R1.28 C=CCCCNCc1ncccn1 34a_100000700776_100000703007 [0,2,0,0,0,0|1,0,1]=4 19740 B13R1.28 C=CCCCOCc1ccccc1 34a_100000210790_100000757094 [0,2,0,0,0,0|1,0,1]=4 19741 B13R1.28 C=CCCCOCc1ccccc1 34a_100000758997_100015291786 [0,2,0,0,0,0|1,0,1]=4 19742 B13R1.28 C=CCCCOCc1ccccc1 7a_100000210790_100000757094 [0,2,0,0,0,0|1,0,1]=4 19743 B13R1.28 C=CCCCOCc1ccccc1 7a_100000758997_100000211182 [0,2,0,0,0,0|1,0,1]=4 19744 B13R1.28 C=CCCCOCc1ccccn1 34a_100000758997_100000721315 [0,2,0,0,0,0|0,0,1]=3 19745 B13R1.28 C=CCCCOCc1ccccn1 7a_100000758997_100000721315 [0,2,0,0,0,0|0,0,1]=3 19746 B13R1.28 C=CCCCOCc1cccnn1 34a_100000758997_100016990269 [0,2,0,0,0,0|1,0,1]=4 19747 B13R1.28 C=CCCCOCc1cccnn1 7a_100000758997_100016990269 [0,2,0,0,0,0|1,0,1]=4 19748 B13R1.28 C=CCCCOCc1cnccn1 34a_100000758997_100016995436 [0,2,0,0,0,0|1,0,1]=4 19749 B13R1.28 C=CCCCOCc1cnccn1 7a_100000758997_100016995436 [0,2,0,0,0,0|1,0,1]=4 19750 B13R1.28 C=CCCCOCc1ncccn1 34a_100000758997_100000703007 [0,2,0,0,0,0|1,0,1]=4 19751 B13R1.28 C=CCCCOCc1ncccn1 7a_100000758997_100000703007 [0,2,0,0,0,0|1,0,1]=4 19752 B13R1.28 C=CCCCSCc1ccccc1 62a_100000211182_100000757094 [0,2,0,0,0,0|1,0,1]=4 19753 B13R1.28 C=CCCCSCc1ccccc1 62a_100011713584_100015291786 [0,2,0,0,0,0|1,0,1]=4 19754 B13R1.28 C=CCCCSCc1ccccn1 62a_100000721315_100000757094 [0,2,0,0,0,0|0,0,1]=3 19755 B13R1.28 C=CCCCSCc1ccccn1 62a_100011713584_100000721315 [0,2,0,0,0,0|0,0,1]=3 19756 B13R1.28 C=CCCCSCc1cccnn1 62a_100011713584_100016990269 [0,2,0,0,0,0|1,0,1]=4 19757 B13R1.28 C=CCCCSCc1cccnn1 62a_100016990269_100000757094 [0,2,0,0,0,0|1,0,1]=4 19758 B13R1.28 C=CCCCSCc1cnccn1 62a_100011713584_100016995436 [0,2,0,0,0,0|1,0,1]=4 19759 B13R1.28 C=CCCCSCc1cnccn1 62a_100016995436_100000757094 [0,2,0,0,0,0|1,0,1]=4 19760 B13R1.28 C=CCCCSCc1ncccn1 62a_100000703007_100000757094 [0,2,0,0,0,0|1,0,1]=4 19761 B13R1.28 C=CCCCSCc1ncccn1 62a_100011713584_100000703007 [0,2,0,0,0,0|1,0,1]=4 19762 B13R1.28 C=CCCNCCc1ccccc1 2230a_100000106460_100000754431 [0,2,0,0,0,0|1,0,1]=4 19763 B13R1.28 C=CCCNCCc1ccccc1 2230a_100015191253_100000765856 [0,2,0,0,0,0|1,0,1]=4 19764 B13R1.28 C=CCCNCCc1ccccc1 34a_100000106460_100000754431 [0,2,0,0,0,0|1,0,1]=4 19765 B13R1.28 C=CCCNCCc1ccccn1 2230a_100015191253_100015183660 [0,2,0,0,0,0|0,0,1]=3 19766 B13R1.28 C=CCCOCCc1ccccc1 34a_100000210268_100000754431 [0,2,0,0,0,0|1,0,1]=4 19767 B13R1.28 C=CCCOCCc1ccccc1 34a_100011205117_100000765856 [0,2,0,0,0,0|1,0,1]=4 19768 B13R1.28 C=CCCOCCc1ccccc1 7a_100000210268_100000754431 [0,2,0,0,0,0|1,0,1]=4 19769 B13R1.28 C=CCCOCCc1ccccn1 34a_100000210271_100000754431 [0,2,0,0,0,0|0,0,1]=3 19770 B13R1.28 C=CCCOCCc1cnccn1 34a_100011349526_100000754431 [0,2,0,0,0,0|1,0,1]=4 19771 B13R1.28 C=CCCSCCc1ccccc1 62a_100000754431_100011218657 [0,2,0,0,0,0|1,0,1]=4 19772 B13R1.28 C=CCCSCCc1ccccc1 62a_100000765856_100000754431 [0,2,0,0,0,0|1,0,1]=4 19773 B13R1.28 C=CCCSCCc1ccccn1 62a_100000754431_100015183660 [0,2,0,0,0,0|0,0,1]=3 19774 B13R1.28 C=CCCSCCc1ccccn1 62a_100015183660_100000754431 [0,2,0,0,0,0|0,0,1]=3 19775 B13R1.28 C=CCNCCCc1ccccc1 2230a_100000211184_100000210623 [0,2,0,0,0,0|1,0,1]=4 19776 B13R1.28 C=CCNCCCc1ccccc1 2230a_100020586998_100000211621 [0,2,0,0,0,0|1,0,1]=4 19777 B13R1.28 C=CCNCCCc1ccccc1 34a_100000211184_100015514636 [0,2,0,0,0,0|1,0,1]=4 19778 B13R1.28 C=CCNCCOc1ccccn1 2230a_106741647558_100000210623 [0,2,0,0,0,0|0,0,2]=4 19779 B13R1.28 C=CCOCCCc1ccccc1 34a_100000210828_100015514636 [0,2,0,0,0,0|1,0,1]=4 19780 B13R1.28 C=CCOCCCc1ccccc1 34a_200000210373_100000211621 [0,2,0,0,0,0|1,0,1]=4 19781 B13R1.28 C=CCOCCCc1ccccc1 7a_100000210828_100015514636 [0,2,0,0,0,0|1,0,1]=4 19782 B13R1.28 C=CCOCCCc1ccccn1 34a_100011215068_100015514636 [0,2,0,0,0,0|0,0,1]=3 19783 B13R1.28 C=CCOCCSc1ccccn1 7a_100000156319_100015514636 [0,2,0,0,0,0|0,0,2]=4 19784 B13R1.28 C=CCSCCCc1ccccc1 62a_100000210623_100000211621 [0,2,0,0,0,0|1,0,1]=4 19785 B13R1.28 C=CCSCCCc1ccccc1 62a_100000211621_100000210623 [0,2,0,0,0,0|1,0,1]=4 19786 B13R1.28 C=COCCOCc1ccccn1 34a_100000033082_100000721315 [0,2,0,0,0,0|0,0,2]=4 19787 B13R1.28 C=COCCSCc1ccccn1 62a_100000039644_100000721315 [0,2,0,0,0,0|0,0,2]=4 19788 B13R1.28 C=COCCSCc1ccccn1 62a_100000721315_100000039644 [0,2,0,0,0,0|0,0,2]=4 19789 B13R1.28 CC#CCCOCc1ccccc1 34a_100000750427_100015291786 [0,2,0,0,0,0|1,0,1]=4 19790 B13R1.28 CC#CCCOCc1ccccn1 34a_100000750427_100000721315 [0,2,0,0,0,0|0,0,1]=3 19791 B13R1.28 CC#CCCOCc1cccnn1 34a_100000750427_100016990269 [0,2,0,0,0,0|1,0,1]=4 19792 B13R1.28 CC#CCCOCc1cnccn1 34a_100000750427_100016995436 [0,2,0,0,0,0|1,0,1]=4 19793 B13R1.28 CC#CCCOCc1ncccn1 34a_100000750427_100000703007 [0,2,0,0,0,0|1,0,1]=4 19794 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000106460_100000748600 [0,2,0,0,0,0|1,0,1]=4 19795 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000685387_100000765856 [0,2,0,0,0,0|1,0,1]=4 19796 B13R1.28 CC#CCNCCc1ccccc1 34a_100000106460_100000748600 [0,2,0,0,0,0|1,0,1]=4 19797 B13R1.28 CC#CCNCCc1ccccc1 34a_100000685387_100000765856 [0,2,0,0,0,0|1,0,1]=4 19798 B13R1.28 CC#CCNCCc1ccccn1 2230a_100000685387_100015183660 [0,2,0,0,0,0|0,0,1]=3 19799 B13R1.28 CC#CCOCCc1ccccc1 34a_100000210268_100000748600 [0,2,0,0,0,0|1,0,1]=4 19800 B13R1.28 CC#CCOCCc1ccccc1 34a_100000761923_100000765856 [0,2,0,0,0,0|1,0,1]=4 19801 B13R1.28 CC#CCOCCc1ccccc1 7a_100000210268_100000748600 [0,2,0,0,0,0|1,0,1]=4 19802 B13R1.28 CC#CCOCCc1ccccn1 34a_100000210271_100000748600 [0,2,0,0,0,0|0,0,1]=3 19803 B13R1.28 CC#CCOCCc1cnccn1 34a_100011349526_100000748600 [0,2,0,0,0,0|1,0,1]=4 19804 B13R1.28 CC#CCSCCc1ccccc1 62a_100000748600_100011218657 [0,2,0,0,0,0|1,0,1]=4 19805 B13R1.28 CC#CCSCCc1ccccc1 62a_100000765856_100000748600 [0,2,0,0,0,0|1,0,1]=4 19806 B13R1.28 CC#CCSCCc1ccccn1 62a_100000748600_100015183660 [0,2,0,0,0,0|0,0,1]=3 19807 B13R1.28 CC#CCSCCc1ccccn1 62a_100015183660_100000748600 [0,2,0,0,0,0|0,0,1]=3 19808 B13R1.28 CC/C=C\CCNc1ccccc1 34a_100000106764_100015370543 [0,2,0,0,0,0|1,0,1]=4 19809 B13R1.28 CC/C=C\CCOc1ccccc1 34a_100000210340_100015370543 [0,2,0,0,0,0|1,0,1]=4 19810 B13R1.28 CC/C=C\CCOc1ccccc1 7a_100000210340_100015370543 [0,2,0,0,0,0|1,0,1]=4 19811 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100000719477_100015370543 [0,2,0,0,0,0|1,0,1]=4 19812 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100015370543_100000041952 [0,2,0,0,0,0|1,0,1]=4 19813 B13R1.28 CC/C=C\CCSc1ccccn1 62a_100011216584_100015370543 [0,2,0,0,0,0|0,0,1]=3 19814 B13R1.28 CC/C=C\CCSc1ccccn1 62a_100015370543_100011216584 [0,2,0,0,0,0|0,0,1]=3 19815 B13R1.28 CC/C=C\CCSc1cccnn1 62a_100015370543_100016991348 [0,2,0,0,0,0|1,0,1]=4 19816 B13R1.28 CC/C=C\CCSc1cccnn1 62a_100016991348_100015370543 [0,2,0,0,0,0|1,0,1]=4 19817 B13R1.28 CC/C=C\CCSc1ccncn1 62a_100000703185_100015370543 [0,2,0,0,0,0|1,0,1]=4 19818 B13R1.28 CC/C=C\CCSc1ccncn1 62a_100015370543_100000703185 [0,2,0,0,0,0|1,0,1]=4 19819 B13R1.28 CC/C=C\CCSc1cnccn1 62a_100000211759_100015370543 [0,2,0,0,0,0|1,0,1]=4 19820 B13R1.28 CC/C=C\CCSc1cnccn1 62a_100015370543_100000211759 [0,2,0,0,0,0|1,0,1]=4 19821 B13R1.28 CC/C=C\CCSc1ncccn1 62a_100000211032_100015370543 [0,2,0,0,0,0|1,0,1]=4 19822 B13R1.28 CC/C=C\CCSc1ncccn1 62a_100015370543_100000211032 [0,2,0,0,0,0|1,0,1]=4 19823 B13R1.28 CC/C=C\CNCc1ccccc1 2230a_100015324214_100103147603 [0,2,0,0,0,0|1,0,1]=4 19824 B13R1.28 CC/C=C\CNCc1ccccc1 34a_100015324214_100103147603 [0,2,0,0,0,0|1,0,1]=4 19825 B13R1.28 CC/C=C\CNCc1cccnn1 2230a_100159270163_100103147603 [0,2,0,0,0,0|1,0,1]=4 19826 B13R1.28 CC/C=C\COCc1ccccc1 34a_100000210790_100103147603 [0,2,0,0,0,0|1,0,1]=4 19827 B13R1.28 CC/C=C\COCc1ccccc1 34a_100016268518_100015291786 [0,2,0,0,0,0|1,0,1]=4 19828 B13R1.28 CC/C=C\COCc1ccccc1 7a_100000210790_100103147603 [0,2,0,0,0,0|1,0,1]=4 19829 B13R1.28 CC/C=C\COCc1ccccn1 34a_100016268518_100000721315 [0,2,0,0,0,0|0,0,1]=3 19830 B13R1.28 CC/C=C\COCc1cccnn1 34a_100016268518_100016990269 [0,2,0,0,0,0|1,0,1]=4 19831 B13R1.28 CC/C=C\COCc1cnccn1 34a_100016268518_100016995436 [0,2,0,0,0,0|1,0,1]=4 19832 B13R1.28 CC/C=C\COCc1ncccn1 34a_100016268518_100000703007 [0,2,0,0,0,0|1,0,1]=4 19833 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100000211182_100103147603 [0,2,0,0,0,0|1,0,1]=4 19834 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100103147603_100015291786 [0,2,0,0,0,0|1,0,1]=4 19835 B13R1.28 CC/C=C\CSCc1ccccn1 62a_100000721315_100103147603 [0,2,0,0,0,0|0,0,1]=3 19836 B13R1.28 CC/C=C\CSCc1ccccn1 62a_100103147603_100000721315 [0,2,0,0,0,0|0,0,1]=3 19837 B13R1.28 CC/C=C\CSCc1cccnn1 62a_100016990269_100103147603 [0,2,0,0,0,0|1,0,1]=4 19838 B13R1.28 CC/C=C\CSCc1cccnn1 62a_100103147603_100016990269 [0,2,0,0,0,0|1,0,1]=4 19839 B13R1.28 CC/C=C\CSCc1cnccn1 62a_100016995436_100103147603 [0,2,0,0,0,0|1,0,1]=4 19840 B13R1.28 CC/C=C\CSCc1cnccn1 62a_100103147603_100016995436 [0,2,0,0,0,0|1,0,1]=4 19841 B13R1.28 CC/C=C\CSCc1ncccn1 62a_100000703007_100103147603 [0,2,0,0,0,0|1,0,1]=4 19842 B13R1.28 CC/C=C\CSCc1ncccn1 62a_100103147603_100000703007 [0,2,0,0,0,0|1,0,1]=4 19843 B13R1.28 CC=CCNCCc1ccccc1 2230a_100000106460_100000070051 [0,2,0,0,0,0|1,0,1]=4 19844 B13R1.28 CC=CCNCCc1ccccc1 34a_100000106460_100000070051 [0,2,0,0,0,0|1,0,1]=4 19845 B13R1.28 CC=CCOCCc1ccccc1 34a_100000210268_100000070051 [0,2,0,0,0,0|1,0,1]=4 19846 B13R1.28 CC=CCOCCc1ccccc1 7a_100000210268_100000070051 [0,2,0,0,0,0|1,0,1]=4 19847 B13R1.28 CC=CCOCCc1ccccn1 34a_100000210271_100000070051 [0,2,0,0,0,0|0,0,1]=3 19848 B13R1.28 CC=CCOCCc1cnccn1 34a_100011349526_100000070051 [0,2,0,0,0,0|1,0,1]=4 19849 B13R1.28 CC=CCSCCc1ccccc1 62a_100000070051_100011218657 [0,2,0,0,0,0|1,0,1]=4 19850 B13R1.28 CC=CCSCCc1ccccc1 62a_100000765856_100000070051 [0,2,0,0,0,0|1,0,1]=4 19851 B13R1.28 CC=CCSCCc1ccccn1 62a_100000070051_100015183660 [0,2,0,0,0,0|0,0,1]=3 19852 B13R1.28 CC=CCSCCc1ccccn1 62a_100015183660_100000070051 [0,2,0,0,0,0|0,0,1]=3 19853 B13R1.28 CCC#CCNCc1ccccc1 2230a_100015324214_100009813939 [0,2,0,0,0,0|1,0,1]=4 19854 B13R1.28 CCC#CCNCc1ccccc1 34a_100015324214_100009813939 [0,2,0,0,0,0|1,0,1]=4 19855 B13R1.28 CCC#CCNCc1cccnn1 2230a_100159270163_100009813939 [0,2,0,0,0,0|1,0,1]=4 19856 B13R1.28 CCC#CCOCc1ccccc1 34a_100000032950_100015291786 [0,2,0,0,0,0|1,0,1]=4 19857 B13R1.28 CCC#CCOCc1ccccc1 34a_100000210790_100009813939 [0,2,0,0,0,0|1,0,1]=4 19858 B13R1.28 CCC#CCOCc1ccccc1 7a_100000210790_100009813939 [0,2,0,0,0,0|1,0,1]=4 19859 B13R1.28 CCC#CCOCc1ccccn1 34a_100000032950_100000721315 [0,2,0,0,0,0|0,0,1]=3 19860 B13R1.28 CCC#CCOCc1cccnn1 34a_100000032950_100016990269 [0,2,0,0,0,0|1,0,1]=4 19861 B13R1.28 CCC#CCOCc1cnccn1 34a_100000032950_100016995436 [0,2,0,0,0,0|1,0,1]=4 19862 B13R1.28 CCC#CCOCc1ncccn1 34a_100000032950_100000703007 [0,2,0,0,0,0|1,0,1]=4 19863 B13R1.28 CCC#CCSCc1ccccc1 62a_100000211182_100009813939 [0,2,0,0,0,0|1,0,1]=4 19864 B13R1.28 CCC#CCSCc1ccccc1 62a_100009813939_100015291786 [0,2,0,0,0,0|1,0,1]=4 19865 B13R1.28 CCC#CCSCc1ccccn1 62a_100000721315_100009813939 [0,2,0,0,0,0|0,0,1]=3 19866 B13R1.28 CCC#CCSCc1ccccn1 62a_100009813939_100000721315 [0,2,0,0,0,0|0,0,1]=3 19867 B13R1.28 CCC#CCSCc1cccnn1 62a_100009813939_100016990269 [0,2,0,0,0,0|1,0,1]=4 19868 B13R1.28 CCC#CCSCc1cccnn1 62a_100016990269_100009813939 [0,2,0,0,0,0|1,0,1]=4 19869 B13R1.28 CCC#CCSCc1cnccn1 62a_100009813939_100016995436 [0,2,0,0,0,0|1,0,1]=4 19870 B13R1.28 CCC#CCSCc1cnccn1 62a_100016995436_100009813939 [0,2,0,0,0,0|1,0,1]=4 19871 B13R1.28 CCC#CCSCc1ncccn1 62a_100000703007_100009813939 [0,2,0,0,0,0|1,0,1]=4 19872 B13R1.28 CCC#CCSCc1ncccn1 62a_100009813939_100000703007 [0,2,0,0,0,0|1,0,1]=4 19873 B13R1.28 CCC=NNCCc1ccccc1 4a_100000740470_100000210100 [0,2,0,0,0,0|1,0,1]=4 19874 B13R1.28 CCCC=NNCc1ccccc1 4a_100000007032_100000185831 [0,2,0,0,0,0|1,0,1]=4 19875 B13R1.28 CCCC=NNCc1ccccn1 4a_100000736832_100000185831 [0,2,0,0,0,0|0,0,1]=3 19876 B13R1.28 CCCCC=NNc1ccccc1 4a_100015195140_100000210104 [0,2,0,0,0,0|1,0,1]=4 19877 B13R1.28 CCCCC=NNc1ccccn1 4a_100000183288_100000210104 [0,2,0,0,0,0|0,0,1]=3 19878 B13R1.28 CCCCC=NNc1cccnn1 4a_100000757824_100000210104 [0,2,0,0,0,0|1,0,1]=4 19879 B13R1.28 CCCCC=NNc1ccncn1 4a_100011438088_100000210104 [0,2,0,0,0,0|1,0,1]=4 19880 B13R1.28 CCCCC=NNc1cnccn1 4a_100000736894_100000210104 [0,2,0,0,0,0|1,0,1]=4 19881 B13R1.28 CCCCC=NNc1ncccn1 4a_100000736892_100000210104 [0,2,0,0,0,0|1,0,1]=4 19882 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [0,2,0,0,0,0|1,0,0]=3 19883 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [0,2,0,0,0,0|0,0,0]=2 19884 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [0,2,0,0,0,0|2,0,0]=4 19885 B13R1.28 CCCCCC=Cc1cccnn1 271570a_100000062253_100016991348 [0,2,0,0,0,0|1,0,0]=3 19886 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [0,2,0,0,0,0|2,0,0]=4 19887 B13R1.28 CCCCCC=Cc1ccncn1 271570a_100000062253_100000703185 [0,2,0,0,0,0|1,0,0]=3 19888 B13R1.28 CCCCCC=Cc1cnccn1 271570a_100000062253_100000758340 [0,2,0,0,0,0|1,0,0]=3 19889 B13R1.28 CCCCCC=Cc1ncccn1 271570a_100000062253_100000211032 [0,2,0,0,0,0|1,0,0]=3 19890 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [0,2,0,0,0,0|1,0,0]=3 19891 B13R1.28 CCCCCCNc1cccnn1 27a_100000210581_100016991348 [0,2,0,0,0,0|1,0,0]=3 19892 B13R1.28 CCCCCCNc1ccncn1 27a_100000210581_100000703185 [0,2,0,0,0,0|1,0,0]=3 19893 B13R1.28 CCCCCCNc1cnccn1 27a_100000210581_100000211759 [0,2,0,0,0,0|1,0,0]=3 19894 B13R1.28 CCCCCCNc1ncccn1 27a_100000210581_100000211032 [0,2,0,0,0,0|1,0,0]=3 19895 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [0,2,0,0,0,0|1,0,0]=3 19896 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [0,2,0,0,0,0|1,0,0]=3 19897 B13R1.28 CCCCCCOc1cccnc1 34a_100000210849_100000210314 [0,2,0,0,0,0|2,0,0]=4 19898 B13R1.28 CCCCCCOc1cccnc1 7a_100000210849_100000210314 [0,2,0,0,0,0|2,0,0]=4 19899 B13R1.28 CCCCCCOc1ccncc1 34a_100000212176_100000210314 [0,2,0,0,0,0|2,0,0]=4 19900 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [0,2,0,0,0,0|1,0,0]=3 19901 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [0,2,0,0,0,0|1,0,0]=3 19902 B13R1.28 CCCCCCSc1ccccn1 62a_100000210314_100011216584 [0,2,0,0,0,0|0,0,0]=2 19903 B13R1.28 CCCCCCSc1ccccn1 62a_100011216584_100000210757 [0,2,0,0,0,0|0,0,0]=2 19904 B13R1.28 CCCCCCSc1cccnc1 62a_100000210063_100000210757 [0,2,0,0,0,0|2,0,0]=4 19905 B13R1.28 CCCCCCSc1cccnc1 62a_100000210314_100000210063 [0,2,0,0,0,0|2,0,0]=4 19906 B13R1.28 CCCCCCSc1cccnn1 62a_100000210314_100016991348 [0,2,0,0,0,0|1,0,0]=3 19907 B13R1.28 CCCCCCSc1cccnn1 62a_100016991348_100000210757 [0,2,0,0,0,0|1,0,0]=3 19908 B13R1.28 CCCCCCSc1ccncc1 62a_100000210314_100000728582 [0,2,0,0,0,0|2,0,0]=4 19909 B13R1.28 CCCCCCSc1ccncc1 62a_100000728582_100000210757 [0,2,0,0,0,0|2,0,0]=4 19910 B13R1.28 CCCCCCSc1ccncn1 62a_100000210314_100000703185 [0,2,0,0,0,0|1,0,0]=3 19911 B13R1.28 CCCCCCSc1ccncn1 62a_100000703185_100000210757 [0,2,0,0,0,0|1,0,0]=3 19912 B13R1.28 CCCCCCSc1cnccn1 62a_100000210314_100000211759 [0,2,0,0,0,0|1,0,0]=3 19913 B13R1.28 CCCCCCSc1cnccn1 62a_100000211759_100000210757 [0,2,0,0,0,0|1,0,0]=3 19914 B13R1.28 CCCCCCSc1ncccn1 62a_100000210314_100000211032 [0,2,0,0,0,0|1,0,0]=3 19915 B13R1.28 CCCCCCSc1ncccn1 62a_100000211032_100000210757 [0,2,0,0,0,0|1,0,0]=3 19916 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [0,2,0,0,0,0|1,0,0]=3 19917 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [0,2,0,0,0,0|1,0,0]=3 19918 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [0,2,0,0,0,0|1,0,0]=3 19919 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [0,2,0,0,0,0|1,0,0]=3 19920 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [0,2,0,0,0,0|1,0,0]=3 19921 B13R1.28 CCCCCNCc1ccccn1 207a_100000209983_100000209966 [0,2,0,0,0,0|0,0,0]=2 19922 B13R1.28 CCCCCNCc1ccccn1 2230a_100000209983_100000721315 [0,2,0,0,0,0|0,0,0]=2 19923 B13R1.28 CCCCCNCc1ccccn1 270004a_100000209983_100000209966 [0,2,0,0,0,0|0,0,0]=2 19924 B13R1.28 CCCCCNCc1cccnc1 207a_100000209983_100000209961 [0,2,0,0,0,0|2,0,0]=4 19925 B13R1.28 CCCCCNCc1cccnc1 2230a_100000209983_100000741622 [0,2,0,0,0,0|2,0,0]=4 19926 B13R1.28 CCCCCNCc1cccnc1 270004a_100000209983_100000209961 [0,2,0,0,0,0|2,0,0]=4 19927 B13R1.28 CCCCCNCc1cccnn1 2230a_100000209983_100016990269 [0,2,0,0,0,0|1,0,0]=3 19928 B13R1.28 CCCCCNCc1cccnn1 2230a_100159270163_100000210326 [0,2,0,0,0,0|1,0,0]=3 19929 B13R1.28 CCCCCNCc1ccncc1 207a_100000209983_100000186114 [0,2,0,0,0,0|2,0,0]=4 19930 B13R1.28 CCCCCNCc1ccncc1 2230a_100000209983_100015193705 [0,2,0,0,0,0|2,0,0]=4 19931 B13R1.28 CCCCCNCc1cnccn1 2230a_100000209983_100016995436 [0,2,0,0,0,0|1,0,0]=3 19932 B13R1.28 CCCCCNCc1cnccn1 270004a_100000209983_100000749867 [0,2,0,0,0,0|1,0,0]=3 19933 B13R1.28 CCCCCNCc1ncccn1 2230a_100000209983_100000703007 [0,2,0,0,0,0|1,0,0]=3 19934 B13R1.28 CCCCCNCc1ncccn1 270004a_100000209983_100011532527 [0,2,0,0,0,0|1,0,0]=3 19935 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [0,2,0,0,0,0|1,0,0]=3 19936 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [0,2,0,0,0,0|1,0,0]=3 19937 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [0,2,0,0,0,0|1,0,0]=3 19938 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [0,2,0,0,0,0|1,0,0]=3 19939 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [0,2,0,0,0,0|0,0,0]=2 19940 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [0,2,0,0,0,0|0,0,0]=2 19941 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [0,2,0,0,0,0|2,0,0]=4 19942 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [0,2,0,0,0,0|2,0,0]=4 19943 B13R1.28 CCCCCOCc1cccnn1 34a_100000210253_100016990269 [0,2,0,0,0,0|1,0,0]=3 19944 B13R1.28 CCCCCOCc1cccnn1 7a_100000210253_100016990269 [0,2,0,0,0,0|1,0,0]=3 19945 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [0,2,0,0,0,0|2,0,0]=4 19946 B13R1.28 CCCCCOCc1cnccn1 34a_100000210253_100016995436 [0,2,0,0,0,0|1,0,0]=3 19947 B13R1.28 CCCCCOCc1cnccn1 7a_100000210253_100016995436 [0,2,0,0,0,0|1,0,0]=3 19948 B13R1.28 CCCCCOCc1ncccn1 34a_100000210253_100000703007 [0,2,0,0,0,0|1,0,0]=3 19949 B13R1.28 CCCCCOCc1ncccn1 7a_100000210253_100000703007 [0,2,0,0,0,0|1,0,0]=3 19950 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [0,2,0,0,0,0|1,0,0]=3 19951 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [0,2,0,0,0,0|1,0,0]=3 19952 B13R1.28 CCCCCSCc1ccccn1 62a_100000210326_100000721315 [0,2,0,0,0,0|0,0,0]=2 19953 B13R1.28 CCCCCSCc1ccccn1 62a_100000721315_100000210326 [0,2,0,0,0,0|0,0,0]=2 19954 B13R1.28 CCCCCSCc1cccnc1 62a_100000210326_100000741622 [0,2,0,0,0,0|2,0,0]=4 19955 B13R1.28 CCCCCSCc1cccnc1 62a_100000741622_100000210326 [0,2,0,0,0,0|2,0,0]=4 19956 B13R1.28 CCCCCSCc1cccnn1 62a_100000210326_100016990269 [0,2,0,0,0,0|1,0,0]=3 19957 B13R1.28 CCCCCSCc1cccnn1 62a_100016990269_100000210326 [0,2,0,0,0,0|1,0,0]=3 19958 B13R1.28 CCCCCSCc1ccncc1 62a_100000210326_100015193705 [0,2,0,0,0,0|2,0,0]=4 19959 B13R1.28 CCCCCSCc1ccncc1 62a_100015193705_100000210326 [0,2,0,0,0,0|2,0,0]=4 19960 B13R1.28 CCCCCSCc1cnccn1 62a_100000210326_100016995436 [0,2,0,0,0,0|1,0,0]=3 19961 B13R1.28 CCCCCSCc1cnccn1 62a_100016995436_100000210326 [0,2,0,0,0,0|1,0,0]=3 19962 B13R1.28 CCCCCSCc1ncccn1 62a_100000210326_100000703007 [0,2,0,0,0,0|1,0,0]=3 19963 B13R1.28 CCCCCSCc1ncccn1 62a_100000703007_100000210326 [0,2,0,0,0,0|1,0,0]=3 19964 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [0,2,0,0,0,0|1,0,0]=3 19965 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [0,2,0,0,0,0|1,0,0]=3 19966 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [0,2,0,0,0,0|1,0,0]=3 19967 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [0,2,0,0,0,0|1,0,0]=3 19968 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [0,2,0,0,0,0|0,0,0]=2 19969 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [0,2,0,0,0,0|0,0,0]=2 19970 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [0,2,0,0,0,0|2,0,0]=4 19971 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [0,2,0,0,0,0|2,0,0]=4 19972 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [0,2,0,0,0,0|2,0,0]=4 19973 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [0,2,0,0,0,0|2,0,0]=4 19974 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [0,2,0,0,0,0|2,0,0]=4 19975 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [0,2,0,0,0,0|1,0,0]=3 19976 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [0,2,0,0,0,0|1,0,1]=4 19977 B13R1.28 CCCCNN=Cc1ccccn1 4a_100025702795_100000209966 [0,2,0,0,0,0|0,0,1]=3 19978 B13R1.28 CCCCNN=Cc1ccncn1 4a_100025702795_100011744739 [0,2,0,0,0,0|1,0,1]=4 19979 B13R1.28 CCCCNN=Cc1cnccn1 4a_100025702795_100000749867 [0,2,0,0,0,0|1,0,1]=4 19980 B13R1.28 CCCCNN=Cc1ncccn1 4a_100025702795_100011532527 [0,2,0,0,0,0|1,0,1]=4 19981 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,2,0,0,0,0|1,0,0]=3 19982 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,2,0,0,0,0|1,0,0]=3 19983 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,2,0,0,0,0|1,0,0]=3 19984 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,2,0,0,0,0|1,0,0]=3 19985 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [0,2,0,0,0,0|0,0,0]=2 19986 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [0,2,0,0,0,0|0,0,0]=2 19987 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,2,0,0,0,0|2,0,0]=4 19988 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,2,0,0,0,0|2,0,0]=4 19989 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [0,2,0,0,0,0|2,0,0]=4 19990 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [0,2,0,0,0,0|2,0,0]=4 19991 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,2,0,0,0,0|1,0,0]=3 19992 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [0,2,0,0,0,0|1,0,0]=3 19993 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [0,2,0,0,0,0|1,0,0]=3 19994 B13R1.28 CCCCOCOc1cccnc1 34a_100000210849_100011995733 [0,2,0,0,0,0|2,0,0]=4 19995 B13R1.28 CCCCOCOc1ccncc1 34a_100000212176_100011995733 [0,2,0,0,0,0|2,0,0]=4 19996 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [0,2,0,0,0,0|1,0,0]=3 19997 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [0,2,0,0,0,0|1,0,0]=3 19998 B13R1.28 CCCCOCSc1ccccn1 62a_100011216584_100011995733 [0,2,0,0,0,0|0,0,0]=2 19999 B13R1.28 CCCCOCSc1ccccn1 62a_100011995733_100011216584 [0,2,0,0,0,0|0,0,0]=2 20000 B13R1.28 CCCCOCSc1cccnc1 62a_100000210063_100011995733 [0,2,0,0,0,0|2,0,0]=4 20001 B13R1.28 CCCCOCSc1cccnc1 62a_100011995733_100000210063 [0,2,0,0,0,0|2,0,0]=4 20002 B13R1.28 CCCCOCSc1cccnn1 62a_100011995733_100016991348 [0,2,0,0,0,0|1,0,0]=3 20003 B13R1.28 CCCCOCSc1cccnn1 62a_100016991348_100011995733 [0,2,0,0,0,0|1,0,0]=3 20004 B13R1.28 CCCCOCSc1ccncc1 62a_100000728582_100011995733 [0,2,0,0,0,0|2,0,0]=4 20005 B13R1.28 CCCCOCSc1ccncc1 62a_100011995733_100000728582 [0,2,0,0,0,0|2,0,0]=4 20006 B13R1.28 CCCCOCSc1ccncn1 62a_100000703185_100011995733 [0,2,0,0,0,0|1,0,0]=3 20007 B13R1.28 CCCCOCSc1ccncn1 62a_100011995733_100000703185 [0,2,0,0,0,0|1,0,0]=3 20008 B13R1.28 CCCCOCSc1cnccn1 62a_100000211759_100011995733 [0,2,0,0,0,0|1,0,0]=3 20009 B13R1.28 CCCCOCSc1cnccn1 62a_100011995733_100000211759 [0,2,0,0,0,0|1,0,0]=3 20010 B13R1.28 CCCCOCSc1ncccn1 62a_100000211032_100011995733 [0,2,0,0,0,0|1,0,0]=3 20011 B13R1.28 CCCCOCSc1ncccn1 62a_100011995733_100000211032 [0,2,0,0,0,0|1,0,0]=3 20012 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [0,2,0,0,0,0|1,0,0]=3 20013 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [0,2,0,0,0,0|1,0,0]=3 20014 B13R1.28 CCCCSCCc1ccccn1 62a_100000210211_100015183660 [0,2,0,0,0,0|0,0,0]=2 20015 B13R1.28 CCCCSCCc1ccccn1 62a_100015183660_100000210210 [0,2,0,0,0,0|0,0,0]=2 20016 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [0,2,0,0,0,0|2,0,0]=4 20017 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [0,2,0,0,0,0|2,0,0]=4 20018 B13R1.28 CCCCSCCc1ccncc1 62a_100000210211_100000723409 [0,2,0,0,0,0|2,0,0]=4 20019 B13R1.28 CCCCSCCc1ccncc1 62a_100000723409_100000210210 [0,2,0,0,0,0|2,0,0]=4 20020 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [0,2,0,0,0,0|1,0,0]=3 20021 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [0,2,0,0,0,0|1,0,0]=3 20022 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [0,2,0,0,0,0|1,0,1]=4 20023 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [0,2,0,0,0,0|1,0,1]=4 20024 B13R1.28 CCCNCC#Cc1ccccc1 34a_100000735379_100000210303 [0,2,0,0,0,0|1,0,1]=4 20025 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [0,2,0,0,0,0|1,0,1]=4 20026 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [0,2,0,0,0,0|1,0,0]=3 20027 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [0,2,0,0,0,0|1,0,0]=3 20028 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [0,2,0,0,0,0|2,0,0]=4 20029 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [0,2,0,0,0,0|2,0,0]=4 20030 B13R1.28 CCCNCCCc1ccncc1 2230a_100011275580_100000210303 [0,2,0,0,0,0|2,0,0]=4 20031 B13R1.28 CCCNCCOc1ccccc1 2230a_100000174943_100000210303 [0,2,0,0,0,0|1,0,0]=3 20032 B13R1.28 CCCNCCOc1ccccc1 270004a_100020643023_100000758736 [0,2,0,0,0,0|1,0,0]=3 20033 B13R1.28 CCCNCCOc1ccccc1 34a_100000174943_100000210303 [0,2,0,0,0,0|1,0,0]=3 20034 B13R1.28 CCCNCCOc1ccccn1 2230a_106741647558_100000210303 [0,2,0,0,0,0|0,0,0]=2 20035 B13R1.28 CCCNCCOc1cccnc1 2230a_100000754688_100000210303 [0,2,0,0,0,0|2,0,0]=4 20036 B13R1.28 CCCNCCSc1ccccc1 2230a_100000189519_100000210303 [0,2,0,0,0,0|1,0,0]=3 20037 B13R1.28 CCCNN=CCc1ccccc1 4a_100000740057_100000209964 [0,2,0,0,0,0|1,0,1]=4 20038 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [0,2,0,0,0,0|1,0,1]=4 20039 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [0,2,0,0,0,0|1,0,1]=4 20040 B13R1.28 CCCOCC#Cc1ccccc1 34a_100000210258_100011352542 [0,2,0,0,0,0|1,0,1]=4 20041 B13R1.28 CCCOCC#Cc1ccccc1 34a_100011217464_100000210303 [0,2,0,0,0,0|1,0,1]=4 20042 B13R1.28 CCCOCC#Cc1ccccc1 7a_100011217464_100000210303 [0,2,0,0,0,0|1,0,1]=4 20043 B13R1.28 CCCOCC#Cc1ccccn1 34a_100011894333_100000210303 [0,2,0,0,0,0|0,0,1]=3 20044 B13R1.28 CCCOCCCC1=CCC=CC1 34a_100020667889_100000210303 [0,2,0,0,0,0|1,0,1]=4 20045 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,2,0,0,0,0|1,0,0]=3 20046 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,2,0,0,0,0|1,0,0]=3 20047 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,2,0,0,0,0|1,0,0]=3 20048 B13R1.28 CCCOCCCc1ccccn1 34a_100011215068_100000210303 [0,2,0,0,0,0|0,0,0]=2 20049 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [0,2,0,0,0,0|2,0,0]=4 20050 B13R1.28 CCCOCCCc1ccncc1 34a_100000210659_100000210303 [0,2,0,0,0,0|2,0,0]=4 20051 B13R1.28 CCCOCCNc1ccccc1 34a_100000106764_100011215938 [0,2,0,0,0,0|1,0,0]=3 20052 B13R1.28 CCCOCCNc1ccccc1 34a_100000211345_100000210303 [0,2,0,0,0,0|1,0,0]=3 20053 B13R1.28 CCCOCCNc1cccnn1 27a_100161115042_100016991348 [0,2,0,0,0,0|1,0,0]=3 20054 B13R1.28 CCCOCCNc1ccncc1 34a_200011243140_100000210303 [0,2,0,0,0,0|2,0,0]=4 20055 B13R1.28 CCCOCCNc1ccncn1 27a_100161115042_100000703185 [0,2,0,0,0,0|1,0,0]=3 20056 B13R1.28 CCCOCCNc1cnccn1 27a_100161115042_100000211759 [0,2,0,0,0,0|1,0,0]=3 20057 B13R1.28 CCCOCCNc1ncccn1 27a_100161115042_100000211032 [0,2,0,0,0,0|1,0,0]=3 20058 B13R1.28 CCCOCCOc1ccccc1 34a_100000210258_100000184471 [0,2,0,0,0,0|1,0,0]=3 20059 B13R1.28 CCCOCCOc1ccccc1 34a_100000210260_100000210303 [0,2,0,0,0,0|1,0,0]=3 20060 B13R1.28 CCCOCCOc1ccccc1 34a_100000210340_100011215938 [0,2,0,0,0,0|1,0,0]=3 20061 B13R1.28 CCCOCCOc1ccccc1 7a_100000210260_100000210303 [0,2,0,0,0,0|1,0,0]=3 20062 B13R1.28 CCCOCCOc1ccccc1 7a_100000210340_100011215938 [0,2,0,0,0,0|1,0,0]=3 20063 B13R1.28 CCCOCCOc1cccnc1 34a_100000210849_100011215938 [0,2,0,0,0,0|2,0,0]=4 20064 B13R1.28 CCCOCCOc1cccnc1 7a_100000210849_100011215938 [0,2,0,0,0,0|2,0,0]=4 20065 B13R1.28 CCCOCCOc1ccncc1 34a_100000212176_100011215938 [0,2,0,0,0,0|2,0,0]=4 20066 B13R1.28 CCCOCCSc1ccccc1 34a_100000210258_100000246102 [0,2,0,0,0,0|1,0,0]=3 20067 B13R1.28 CCCOCCSc1ccccc1 62a_100000719477_100011215938 [0,2,0,0,0,0|1,0,0]=3 20068 B13R1.28 CCCOCCSc1ccccc1 62a_100011215938_100000041952 [0,2,0,0,0,0|1,0,0]=3 20069 B13R1.28 CCCOCCSc1ccccc1 7a_100000230494_100000210303 [0,2,0,0,0,0|1,0,0]=3 20070 B13R1.28 CCCOCCSc1ccccn1 62a_100011215938_100011216584 [0,2,0,0,0,0|0,0,0]=2 20071 B13R1.28 CCCOCCSc1ccccn1 62a_100011216584_100011215938 [0,2,0,0,0,0|0,0,0]=2 20072 B13R1.28 CCCOCCSc1ccccn1 7a_100000156319_100000210303 [0,2,0,0,0,0|0,0,0]=2 20073 B13R1.28 CCCOCCSc1cccnc1 62a_100000210063_100011215938 [0,2,0,0,0,0|2,0,0]=4 20074 B13R1.28 CCCOCCSc1cccnc1 62a_100011215938_100000210063 [0,2,0,0,0,0|2,0,0]=4 20075 B13R1.28 CCCOCCSc1cccnn1 62a_100011215938_100016991348 [0,2,0,0,0,0|1,0,0]=3 20076 B13R1.28 CCCOCCSc1cccnn1 62a_100016991348_100011215938 [0,2,0,0,0,0|1,0,0]=3 20077 B13R1.28 CCCOCCSc1ccncc1 62a_100000728582_100011215938 [0,2,0,0,0,0|2,0,0]=4 20078 B13R1.28 CCCOCCSc1ccncc1 62a_100011215938_100000728582 [0,2,0,0,0,0|2,0,0]=4 20079 B13R1.28 CCCOCCSc1ccncn1 62a_100000703185_100011215938 [0,2,0,0,0,0|1,0,0]=3 20080 B13R1.28 CCCOCCSc1ccncn1 62a_100011215938_100000703185 [0,2,0,0,0,0|1,0,0]=3 20081 B13R1.28 CCCOCCSc1cnccn1 62a_100000211759_100011215938 [0,2,0,0,0,0|1,0,0]=3 20082 B13R1.28 CCCOCCSc1cnccn1 62a_100011215938_100000211759 [0,2,0,0,0,0|1,0,0]=3 20083 B13R1.28 CCCOCCSc1ncccn1 62a_100000211032_100011215938 [0,2,0,0,0,0|1,0,0]=3 20084 B13R1.28 CCCOCCSc1ncccn1 62a_100011215938_100000211032 [0,2,0,0,0,0|1,0,0]=3 20085 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [0,2,0,0,0,0|1,0,0]=3 20086 B13R1.28 CCCOCSCc1ccccc1 34a_100000210258_200011217039 [0,2,0,0,0,0|1,0,0]=3 20087 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [0,2,0,0,0,0|1,0,1]=4 20088 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [0,2,0,0,0,0|1,0,1]=4 20089 B13R1.28 CCCSCC#Cc1ccccc1 62a_100000210303_100011352542 [0,2,0,0,0,0|1,0,1]=4 20090 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [0,2,0,0,0,0|1,0,0]=3 20091 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [0,2,0,0,0,0|1,0,0]=3 20092 B13R1.28 CCCSCCNc1cccnn1 27a_100020603323_100016991348 [0,2,0,0,0,0|1,0,0]=3 20093 B13R1.28 CCCSCCNc1ccncn1 27a_100020603323_100000703185 [0,2,0,0,0,0|1,0,0]=3 20094 B13R1.28 CCCSCCNc1cnccn1 27a_100020603323_100000211759 [0,2,0,0,0,0|1,0,0]=3 20095 B13R1.28 CCCSCCNc1ncccn1 27a_100020603323_100000211032 [0,2,0,0,0,0|1,0,0]=3 20096 B13R1.28 CCCSCCOc1ccccc1 62a_100000184471_100000210303 [0,2,0,0,0,0|1,0,0]=3 20097 B13R1.28 CCCSCCOc1ccccc1 62a_100000210303_100000184471 [0,2,0,0,0,0|1,0,0]=3 20098 B13R1.28 CCCSCCSc1ccccc1 62a_100000210303_100000246102 [0,2,0,0,0,0|1,0,0]=3 20099 B13R1.28 CCCSCCSc1ccccc1 62a_100000246102_100000210303 [0,2,0,0,0,0|1,0,0]=3 20100 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [0,2,0,0,0,0|1,0,0]=3 20101 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [0,2,0,0,0,0|1,0,0]=3 20102 B13R1.28 CCCSCSCc1ccccc1 62a_100000210303_200011217039 [0,2,0,0,0,0|1,0,0]=3 20103 B13R1.28 CCCSCSCc1ccccc1 62a_200011217039_100000210303 [0,2,0,0,0,0|1,0,0]=3 20104 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [0,2,0,0,0,0|1,0,0]=3 20105 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [0,2,0,0,0,0|1,0,0]=3 20106 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [0,2,0,0,0,0|1,0,0]=3 20107 B13R1.28 CCNCCCCc1ccncc1 2230a_100015525214_100020630000 [0,2,0,0,0,0|2,0,0]=4 20108 B13R1.28 CCNCCCOc1ccccc1 2230a_100000216521_100000210202 [0,2,0,0,0,0|1,0,0]=3 20109 B13R1.28 CCNCCCOc1ccccc1 2230a_100015525214_100000199009 [0,2,0,0,0,0|1,0,0]=3 20110 B13R1.28 CCNCCCOc1ccccc1 34a_100000216521_100000210202 [0,2,0,0,0,0|1,0,0]=3 20111 B13R1.28 CCNCCCSc1ccccc1 2230a_100000184639_100000210202 [0,2,0,0,0,0|1,0,0]=3 20112 B13R1.28 CCNCCCSc1ccccc1 2230a_100015525214_200011203293 [0,2,0,0,0,0|1,0,0]=3 20113 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [0,2,0,0,0,0|1,0,0]=3 20114 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [0,2,0,0,0,0|1,0,0]=3 20115 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [0,2,0,0,0,0|1,0,0]=3 20116 B13R1.28 CCNCCSCc1ccccc1 2230a_100000189534_100000210202 [0,2,0,0,0,0|1,0,0]=3 20117 B13R1.28 CCNCCSCc1ccccc1 2230a_100015525214_200011297719 [0,2,0,0,0,0|1,0,0]=3 20118 B13R1.28 CCNCCSCc1ccccc1 34a_100000189534_100000210202 [0,2,0,0,0,0|1,0,0]=3 20119 B13R1.28 CCNCCSCc1ccccc1 7a_100000189534_100000210202 [0,2,0,0,0,0|1,0,0]=3 20120 B13R1.28 CCNCCSSc1ccccn1 2230a_100016995281_100000210202 [0,2,0,0,0,0|1,0,0]=3 20121 B13R1.28 CCNCCSSc1ccccn1 7a_100016995281_100000210202 [0,2,0,0,0,0|1,0,0]=3 20122 B13R1.28 CCNN=CCCc1ccccc1 4a_100000756455_100000198083 [0,2,0,0,0,0|1,0,1]=4 20123 B13R1.28 CCOCCC#Cc1ccccc1 34a_100000760064_100000210202 [0,2,0,0,0,0|1,0,1]=4 20124 B13R1.28 CCOCCC#Cc1ccccc1 7a_100000760064_100000210202 [0,2,0,0,0,0|1,0,1]=4 20125 B13R1.28 CCOCCC#Cc1ccccn1 34a_200011894334_100000210202 [0,2,0,0,0,0|0,0,1]=3 20126 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [0,2,0,0,0,0|1,0,0]=3 20127 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [0,2,0,0,0,0|1,0,0]=3 20128 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [0,2,0,0,0,0|1,0,0]=3 20129 B13R1.28 CCOCCCCc1ccccn1 34a_100012186994_100000210202 [0,2,0,0,0,0|0,0,0]=2 20130 B13R1.28 CCOCCCCc1cccnc1 34a_100012039607_100000210202 [0,2,0,0,0,0|2,0,0]=4 20131 B13R1.28 CCOCCCCc1cccnc1 7a_100012039607_100000210202 [0,2,0,0,0,0|2,0,0]=4 20132 B13R1.28 CCOCCCCc1ccncc1 34a_100011787716_100000210202 [0,2,0,0,0,0|2,0,0]=4 20133 B13R1.28 CCOCCCNc1ccccc1 34a_100000106764_100012232248 [0,2,0,0,0,0|1,0,0]=3 20134 B13R1.28 CCOCCCNc1ccccc1 34a_100000212590_100000210202 [0,2,0,0,0,0|1,0,0]=3 20135 B13R1.28 CCOCCCNc1cccnn1 27a_100000210961_100016991348 [0,2,0,0,0,0|1,0,0]=3 20136 B13R1.28 CCOCCCNc1ccncn1 27a_100000210961_100000703185 [0,2,0,0,0,0|1,0,0]=3 20137 B13R1.28 CCOCCCNc1cnccn1 27a_100000210961_100000211759 [0,2,0,0,0,0|1,0,0]=3 20138 B13R1.28 CCOCCCNc1ncccn1 27a_100000210961_100000211032 [0,2,0,0,0,0|1,0,0]=3 20139 B13R1.28 CCOCCCOc1ccccc1 34a_100000210340_100012232248 [0,2,0,0,0,0|1,0,0]=3 20140 B13R1.28 CCOCCCOc1ccccc1 34a_100011215863_100000210202 [0,2,0,0,0,0|1,0,0]=3 20141 B13R1.28 CCOCCCOc1ccccc1 34a_100121572206_100000199009 [0,2,0,0,0,0|1,0,0]=3 20142 B13R1.28 CCOCCCOc1ccccc1 7a_100000210340_100012232248 [0,2,0,0,0,0|1,0,0]=3 20143 B13R1.28 CCOCCCOc1ccccc1 7a_100011215863_100000210202 [0,2,0,0,0,0|1,0,0]=3 20144 B13R1.28 CCOCCCOc1cccnc1 34a_100000210849_100012232248 [0,2,0,0,0,0|2,0,0]=4 20145 B13R1.28 CCOCCCOc1cccnc1 7a_100000210849_100012232248 [0,2,0,0,0,0|2,0,0]=4 20146 B13R1.28 CCOCCCOc1ccncc1 34a_100000212176_100012232248 [0,2,0,0,0,0|2,0,0]=4 20147 B13R1.28 CCOCCCSc1ccccc1 34a_100121572206_200011203293 [0,2,0,0,0,0|1,0,0]=3 20148 B13R1.28 CCOCCCSc1ccccc1 62a_100000719477_100012232248 [0,2,0,0,0,0|1,0,0]=3 20149 B13R1.28 CCOCCCSc1ccccc1 62a_100012232248_100000041952 [0,2,0,0,0,0|1,0,0]=3 20150 B13R1.28 CCOCCCSc1ccccn1 62a_100011216584_100012232248 [0,2,0,0,0,0|0,0,0]=2 20151 B13R1.28 CCOCCCSc1ccccn1 62a_100012232248_100011216584 [0,2,0,0,0,0|0,0,0]=2 20152 B13R1.28 CCOCCCSc1cccnc1 62a_100000210063_100012232248 [0,2,0,0,0,0|2,0,0]=4 20153 B13R1.28 CCOCCCSc1cccnc1 62a_100012232248_100000210063 [0,2,0,0,0,0|2,0,0]=4 20154 B13R1.28 CCOCCCSc1cccnn1 62a_100012232248_100016991348 [0,2,0,0,0,0|1,0,0]=3 20155 B13R1.28 CCOCCCSc1cccnn1 62a_100016991348_100012232248 [0,2,0,0,0,0|1,0,0]=3 20156 B13R1.28 CCOCCCSc1ccncc1 62a_100000728582_100012232248 [0,2,0,0,0,0|2,0,0]=4 20157 B13R1.28 CCOCCCSc1ccncc1 62a_100012232248_100000728582 [0,2,0,0,0,0|2,0,0]=4 20158 B13R1.28 CCOCCCSc1ccncn1 62a_100000703185_100012232248 [0,2,0,0,0,0|1,0,0]=3 20159 B13R1.28 CCOCCCSc1ccncn1 62a_100012232248_100000703185 [0,2,0,0,0,0|1,0,0]=3 20160 B13R1.28 CCOCCCSc1cnccn1 62a_100000211759_100012232248 [0,2,0,0,0,0|1,0,0]=3 20161 B13R1.28 CCOCCCSc1cnccn1 62a_100012232248_100000211759 [0,2,0,0,0,0|1,0,0]=3 20162 B13R1.28 CCOCCCSc1ncccn1 62a_100000211032_100012232248 [0,2,0,0,0,0|1,0,0]=3 20163 B13R1.28 CCOCCCSc1ncccn1 62a_100012232248_100000211032 [0,2,0,0,0,0|1,0,0]=3 20164 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [0,2,0,0,0,0|1,0,0]=3 20165 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [0,2,0,0,0,0|1,0,0]=3 20166 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [0,2,0,0,0,0|1,0,0]=3 20167 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [0,2,0,0,0,0|1,0,0]=3 20168 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [0,2,0,0,0,0|1,0,0]=3 20169 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [0,2,0,0,0,0|1,0,0]=3 20170 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [0,2,0,0,0,0|1,0,0]=3 20171 B13R1.28 CCOCCNCc1ccccn1 207a_100011200944_100000209966 [0,2,0,0,0,0|0,0,0]=2 20172 B13R1.28 CCOCCNCc1ccccn1 2230a_102516460346_100000721315 [0,2,0,0,0,0|0,0,0]=2 20173 B13R1.28 CCOCCNCc1ccccn1 270004a_102516460346_100000209966 [0,2,0,0,0,0|0,0,0]=2 20174 B13R1.28 CCOCCNCc1ccccn1 34a_102516460346_100000721315 [0,2,0,0,0,0|0,0,0]=2 20175 B13R1.28 CCOCCNCc1cccnc1 207a_100011200944_100000209961 [0,2,0,0,0,0|2,0,0]=4 20176 B13R1.28 CCOCCNCc1cccnc1 2230a_102516460346_100000741622 [0,2,0,0,0,0|2,0,0]=4 20177 B13R1.28 CCOCCNCc1cccnc1 270004a_102516460346_100000209961 [0,2,0,0,0,0|2,0,0]=4 20178 B13R1.28 CCOCCNCc1cccnc1 34a_102516460346_100000733263 [0,2,0,0,0,0|2,0,0]=4 20179 B13R1.28 CCOCCNCc1cccnn1 2230a_100159270163_100011215890 [0,2,0,0,0,0|1,0,0]=3 20180 B13R1.28 CCOCCNCc1cccnn1 2230a_102516460346_100016990269 [0,2,0,0,0,0|1,0,0]=3 20181 B13R1.28 CCOCCNCc1cccnn1 34a_102516460346_100016990269 [0,2,0,0,0,0|1,0,0]=3 20182 B13R1.28 CCOCCNCc1ccncc1 207a_100011200944_100000186114 [0,2,0,0,0,0|2,0,0]=4 20183 B13R1.28 CCOCCNCc1ccncc1 2230a_102516460346_100015193705 [0,2,0,0,0,0|2,0,0]=4 20184 B13R1.28 CCOCCNCc1cnccn1 2230a_102516460346_100016995436 [0,2,0,0,0,0|1,0,0]=3 20185 B13R1.28 CCOCCNCc1cnccn1 270004a_102516460346_100000749867 [0,2,0,0,0,0|1,0,0]=3 20186 B13R1.28 CCOCCNCc1cnccn1 34a_102516460346_100016995436 [0,2,0,0,0,0|1,0,0]=3 20187 B13R1.28 CCOCCNCc1ncccn1 2230a_102516460346_100000703007 [0,2,0,0,0,0|1,0,0]=3 20188 B13R1.28 CCOCCNCc1ncccn1 270004a_102516460346_100011532527 [0,2,0,0,0,0|1,0,0]=3 20189 B13R1.28 CCOCCNCc1ncccn1 34a_102516460346_100000703007 [0,2,0,0,0,0|1,0,0]=3 20190 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [0,2,0,0,0,0|1,0,0]=3 20191 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [0,2,0,0,0,0|1,0,0]=3 20192 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [0,2,0,0,0,0|1,0,0]=3 20193 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [0,2,0,0,0,0|1,0,0]=3 20194 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [0,2,0,0,0,0|1,0,0]=3 20195 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [0,2,0,0,0,0|1,0,0]=3 20196 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [0,2,0,0,0,0|1,0,0]=3 20197 B13R1.28 CCOCCOCc1ccccn1 34a_100000210136_100000721315 [0,2,0,0,0,0|0,0,0]=2 20198 B13R1.28 CCOCCOCc1ccccn1 7a_100000210136_100000721315 [0,2,0,0,0,0|0,0,0]=2 20199 B13R1.28 CCOCCOCc1cccnc1 34a_100000210136_100000733263 [0,2,0,0,0,0|2,0,0]=4 20200 B13R1.28 CCOCCOCc1cccnc1 7a_100000210136_100000741622 [0,2,0,0,0,0|2,0,0]=4 20201 B13R1.28 CCOCCOCc1cccnn1 34a_100000210136_100016990269 [0,2,0,0,0,0|1,0,0]=3 20202 B13R1.28 CCOCCOCc1cccnn1 7a_100000210136_100016990269 [0,2,0,0,0,0|1,0,0]=3 20203 B13R1.28 CCOCCOCc1ccncc1 7a_100000210136_100015193705 [0,2,0,0,0,0|2,0,0]=4 20204 B13R1.28 CCOCCOCc1cnccn1 34a_100000210136_100016995436 [0,2,0,0,0,0|1,0,0]=3 20205 B13R1.28 CCOCCOCc1cnccn1 7a_100000210136_100016995436 [0,2,0,0,0,0|1,0,0]=3 20206 B13R1.28 CCOCCOCc1ncccn1 34a_100000210136_100000703007 [0,2,0,0,0,0|1,0,0]=3 20207 B13R1.28 CCOCCOCc1ncccn1 7a_100000210136_100000703007 [0,2,0,0,0,0|1,0,0]=3 20208 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [0,2,0,0,0,0|1,0,0]=3 20209 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [0,2,0,0,0,0|1,0,0]=3 20210 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [0,2,0,0,0,0|1,0,0]=3 20211 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [0,2,0,0,0,0|1,0,0]=3 20212 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [0,2,0,0,0,0|1,0,0]=3 20213 B13R1.28 CCOCCSCc1ccccn1 62a_100000210147_100000721315 [0,2,0,0,0,0|0,0,0]=2 20214 B13R1.28 CCOCCSCc1ccccn1 62a_100000721315_100011215890 [0,2,0,0,0,0|0,0,0]=2 20215 B13R1.28 CCOCCSCc1cccnc1 62a_100000210147_100000741622 [0,2,0,0,0,0|2,0,0]=4 20216 B13R1.28 CCOCCSCc1cccnc1 62a_100000741622_100011215890 [0,2,0,0,0,0|2,0,0]=4 20217 B13R1.28 CCOCCSCc1cccnn1 62a_100000210147_100016990269 [0,2,0,0,0,0|1,0,0]=3 20218 B13R1.28 CCOCCSCc1cccnn1 62a_100016990269_100011215890 [0,2,0,0,0,0|1,0,0]=3 20219 B13R1.28 CCOCCSCc1ccncc1 62a_100000210147_100015193705 [0,2,0,0,0,0|2,0,0]=4 20220 B13R1.28 CCOCCSCc1ccncc1 62a_100015193705_100011215890 [0,2,0,0,0,0|2,0,0]=4 20221 B13R1.28 CCOCCSCc1cnccn1 62a_100000210147_100016995436 [0,2,0,0,0,0|1,0,0]=3 20222 B13R1.28 CCOCCSCc1cnccn1 62a_100016995436_100011215890 [0,2,0,0,0,0|1,0,0]=3 20223 B13R1.28 CCOCCSCc1ncccn1 62a_100000210147_100000703007 [0,2,0,0,0,0|1,0,0]=3 20224 B13R1.28 CCOCCSCc1ncccn1 62a_100000703007_100011215890 [0,2,0,0,0,0|1,0,0]=3 20225 B13R1.28 CCOCCSSc1ccccn1 7a_100009993218_100000210202 [0,2,0,0,0,0|1,0,0]=3 20226 B13R1.28 CCOCSCCc1ccccc1 62a_100000739092_100011218657 [0,2,0,0,0,0|1,0,0]=3 20227 B13R1.28 CCOCSCCc1ccccc1 62a_100000765856_100000739092 [0,2,0,0,0,0|1,0,0]=3 20228 B13R1.28 CCOCSCCc1ccccn1 62a_100000739092_100015183660 [0,2,0,0,0,0|0,0,0]=2 20229 B13R1.28 CCOCSCCc1ccccn1 62a_100015183660_100000739092 [0,2,0,0,0,0|0,0,0]=2 20230 B13R1.28 CCOCSCCc1cccnc1 62a_100000739092_200011713674 [0,2,0,0,0,0|2,0,0]=4 20231 B13R1.28 CCOCSCCc1cccnc1 62a_200011713674_100000739092 [0,2,0,0,0,0|2,0,0]=4 20232 B13R1.28 CCOCSCCc1ccncc1 62a_100000723409_100000739092 [0,2,0,0,0,0|2,0,0]=4 20233 B13R1.28 CCOCSCCc1ccncc1 62a_100000739092_100000723409 [0,2,0,0,0,0|2,0,0]=4 20234 B13R1.28 CCOCSCSc1ccccc1 62a_100000739092_100011218342 [0,2,0,0,0,0|2,0,0]=4 20235 B13R1.28 CCOCSCSc1ccccc1 62a_100011218342_100000739092 [0,2,0,0,0,0|2,0,0]=4 20236 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [0,2,0,0,0,0|1,0,0]=3 20237 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [0,2,0,0,0,0|1,0,0]=3 20238 B13R1.28 CCSCCCCc1ccncc1 62a_100000210202_100020630000 [0,2,0,0,0,0|2,0,0]=4 20239 B13R1.28 CCSCCCCc1ccncc1 62a_100020630000_100000210202 [0,2,0,0,0,0|2,0,0]=4 20240 B13R1.28 CCSCCCOc1ccccc1 62a_100000199009_100000210202 [0,2,0,0,0,0|1,0,0]=3 20241 B13R1.28 CCSCCCOc1ccccc1 62a_100000210202_100000199009 [0,2,0,0,0,0|1,0,0]=3 20242 B13R1.28 CCSCCCSc1ccccc1 62a_100000210202_200011203293 [0,2,0,0,0,0|1,0,0]=3 20243 B13R1.28 CCSCCCSc1ccccc1 62a_200011203293_100000210202 [0,2,0,0,0,0|1,0,0]=3 20244 B13R1.28 CCSCCNCc1ccccc1 207a_100000106463_100015611070 [0,2,0,0,0,0|1,0,0]=3 20245 B13R1.28 CCSCCNCc1ccccc1 2230a_100000106463_100015291786 [0,2,0,0,0,0|1,0,0]=3 20246 B13R1.28 CCSCCNCc1ccccc1 2230a_100015324214_100000757381 [0,2,0,0,0,0|1,0,0]=3 20247 B13R1.28 CCSCCNCc1ccccc1 270004a_100000106463_100015611070 [0,2,0,0,0,0|1,0,0]=3 20248 B13R1.28 CCSCCNCc1ccccc1 34a_100015324214_100000757381 [0,2,0,0,0,0|1,0,0]=3 20249 B13R1.28 CCSCCNCc1ccccn1 207a_100000106463_100000209966 [0,2,0,0,0,0|0,0,0]=2 20250 B13R1.28 CCSCCNCc1ccccn1 2230a_100000106463_100000721315 [0,2,0,0,0,0|0,0,0]=2 20251 B13R1.28 CCSCCNCc1ccccn1 270004a_100000106463_100000209966 [0,2,0,0,0,0|0,0,0]=2 20252 B13R1.28 CCSCCNCc1cccnc1 207a_100000106463_100000209961 [0,2,0,0,0,0|2,0,0]=4 20253 B13R1.28 CCSCCNCc1cccnc1 2230a_100000106463_100000741622 [0,2,0,0,0,0|2,0,0]=4 20254 B13R1.28 CCSCCNCc1cccnc1 270004a_100000106463_100000209961 [0,2,0,0,0,0|2,0,0]=4 20255 B13R1.28 CCSCCNCc1cccnn1 2230a_100000106463_100016990269 [0,2,0,0,0,0|1,0,0]=3 20256 B13R1.28 CCSCCNCc1cccnn1 2230a_100159270163_100000757381 [0,2,0,0,0,0|1,0,0]=3 20257 B13R1.28 CCSCCNCc1ccncc1 207a_100000106463_100000186114 [0,2,0,0,0,0|2,0,0]=4 20258 B13R1.28 CCSCCNCc1ccncc1 2230a_100000106463_100015193705 [0,2,0,0,0,0|2,0,0]=4 20259 B13R1.28 CCSCCNCc1cnccn1 2230a_100000106463_100016995436 [0,2,0,0,0,0|1,0,0]=3 20260 B13R1.28 CCSCCNCc1cnccn1 270004a_100000106463_100000749867 [0,2,0,0,0,0|1,0,0]=3 20261 B13R1.28 CCSCCNCc1ncccn1 2230a_100000106463_100000703007 [0,2,0,0,0,0|1,0,0]=3 20262 B13R1.28 CCSCCNCc1ncccn1 270004a_100000106463_100011532527 [0,2,0,0,0,0|1,0,0]=3 20263 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [0,2,0,0,0,0|1,0,0]=3 20264 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [0,2,0,0,0,0|1,0,0]=3 20265 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [0,2,0,0,0,0|1,0,0]=3 20266 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [0,2,0,0,0,0|1,0,0]=3 20267 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [0,2,0,0,0,0|1,0,0]=3 20268 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [0,2,0,0,0,0|1,0,0]=3 20269 B13R1.28 CCSCCOCc1ccccn1 34a_100000212035_100000721315 [0,2,0,0,0,0|0,0,0]=2 20270 B13R1.28 CCSCCOCc1ccccn1 7a_100000212035_100000721315 [0,2,0,0,0,0|0,0,0]=2 20271 B13R1.28 CCSCCOCc1cccnc1 34a_100000212035_100000733263 [0,2,0,0,0,0|2,0,0]=4 20272 B13R1.28 CCSCCOCc1cccnc1 7a_100000212035_100000741622 [0,2,0,0,0,0|2,0,0]=4 20273 B13R1.28 CCSCCOCc1cccnn1 34a_100000212035_100016990269 [0,2,0,0,0,0|1,0,0]=3 20274 B13R1.28 CCSCCOCc1cccnn1 7a_100000212035_100016990269 [0,2,0,0,0,0|1,0,0]=3 20275 B13R1.28 CCSCCOCc1ccncc1 7a_100000212035_100015193705 [0,2,0,0,0,0|2,0,0]=4 20276 B13R1.28 CCSCCOCc1cnccn1 34a_100000212035_100016995436 [0,2,0,0,0,0|1,0,0]=3 20277 B13R1.28 CCSCCOCc1cnccn1 7a_100000212035_100016995436 [0,2,0,0,0,0|1,0,0]=3 20278 B13R1.28 CCSCCOCc1ncccn1 34a_100000212035_100000703007 [0,2,0,0,0,0|1,0,0]=3 20279 B13R1.28 CCSCCOCc1ncccn1 7a_100000212035_100000703007 [0,2,0,0,0,0|1,0,0]=3 20280 B13R1.28 CCSCCSCc1ccccc1 62a_100000210202_200011297719 [0,2,0,0,0,0|1,0,0]=3 20281 B13R1.28 CCSCCSCc1ccccc1 62a_100000211182_100000757381 [0,2,0,0,0,0|1,0,0]=3 20282 B13R1.28 CCSCCSCc1ccccc1 62a_100000757381_100015291786 [0,2,0,0,0,0|1,0,0]=3 20283 B13R1.28 CCSCCSCc1ccccc1 62a_200011297719_100000210202 [0,2,0,0,0,0|1,0,0]=3 20284 B13R1.28 CCSCCSCc1ccccn1 62a_100000721315_100000757381 [0,2,0,0,0,0|0,0,0]=2 20285 B13R1.28 CCSCCSCc1ccccn1 62a_100000757381_100000721315 [0,2,0,0,0,0|0,0,0]=2 20286 B13R1.28 CCSCCSCc1cccnc1 62a_100000741622_100000757381 [0,2,0,0,0,0|2,0,0]=4 20287 B13R1.28 CCSCCSCc1cccnc1 62a_100000757381_100000741622 [0,2,0,0,0,0|2,0,0]=4 20288 B13R1.28 CCSCCSCc1cccnn1 62a_100000757381_100016990269 [0,2,0,0,0,0|1,0,0]=3 20289 B13R1.28 CCSCCSCc1cccnn1 62a_100016990269_100000757381 [0,2,0,0,0,0|1,0,0]=3 20290 B13R1.28 CCSCCSCc1ccncc1 62a_100000757381_100015193705 [0,2,0,0,0,0|2,0,0]=4 20291 B13R1.28 CCSCCSCc1ccncc1 62a_100015193705_100000757381 [0,2,0,0,0,0|2,0,0]=4 20292 B13R1.28 CCSCCSCc1cnccn1 62a_100000757381_100016995436 [0,2,0,0,0,0|1,0,0]=3 20293 B13R1.28 CCSCCSCc1cnccn1 62a_100016995436_100000757381 [0,2,0,0,0,0|1,0,0]=3 20294 B13R1.28 CCSCCSCc1ncccn1 62a_100000703007_100000757381 [0,2,0,0,0,0|1,0,0]=3 20295 B13R1.28 CCSCCSCc1ncccn1 62a_100000757381_100000703007 [0,2,0,0,0,0|1,0,0]=3 20296 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,2,0,0,0,0|1,0,0]=3 20297 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,2,0,0,0,0|1,0,0]=3 20298 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,2,0,0,0,0|1,0,0]=3 20299 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,2,0,0,0,0|1,0,0]=3 20300 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,2,0,0,0,0|1,0,0]=3 20301 B13R1.28 CNCCCCOc1ccccc1 2230a_106832991635_100011215240 [0,2,0,0,0,0|1,0,0]=3 20302 B13R1.28 CNCCCCOc1ccccc1 34a_100102657272_100011215240 [0,2,0,0,0,0|1,0,0]=3 20303 B13R1.28 CNCCCCOc1ccccc1 7a_106832991635_100011215240 [0,2,0,0,0,0|1,0,0]=3 20304 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [0,2,0,0,0,0|1,0,0]=3 20305 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [0,2,0,0,0,0|1,0,0]=3 20306 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [0,2,0,0,0,0|1,0,0]=3 20307 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [0,2,0,0,0,0|1,0,0]=3 20308 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [0,2,0,0,0,0|1,0,0]=3 20309 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [0,2,0,0,0,0|1,0,0]=3 20310 B13R1.28 CNCCCOCc1ccccn1 34a_100000213112_100000721315 [0,2,0,0,0,0|0,0,0]=2 20311 B13R1.28 CNCCCOCc1cccnc1 34a_100000213112_100000733263 [0,2,0,0,0,0|2,0,0]=4 20312 B13R1.28 CNCCCOCc1cccnn1 34a_100000213112_100016990269 [0,2,0,0,0,0|1,0,0]=3 20313 B13R1.28 CNCCCOCc1cnccn1 34a_100000213112_100016995436 [0,2,0,0,0,0|1,0,0]=3 20314 B13R1.28 CNCCCOCc1ncccn1 34a_100000213112_100000703007 [0,2,0,0,0,0|1,0,0]=3 20315 B13R1.28 COCCCC#Cc1ccccc1 34a_100011217234_200000210301 [0,2,0,0,0,0|1,0,1]=4 20316 B13R1.28 COCCCC#Cc1ccccc1 7a_100011217234_200000210301 [0,2,0,0,0,0|1,0,1]=4 20317 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [0,2,0,0,0,0|1,0,0]=3 20318 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [0,2,0,0,0,0|1,0,0]=3 20319 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [0,2,0,0,0,0|1,0,0]=3 20320 B13R1.28 COCCCCNc1ccccc1 34a_100000106764_100000755781 [0,2,0,0,0,0|1,0,0]=3 20321 B13R1.28 COCCCCOc1ccccc1 34a_100000210340_100000755781 [0,2,0,0,0,0|1,0,0]=3 20322 B13R1.28 COCCCCOc1ccccc1 34a_100000752354_200000210301 [0,2,0,0,0,0|1,0,0]=3 20323 B13R1.28 COCCCCOc1ccccc1 34a_100138415774_100011215240 [0,2,0,0,0,0|1,0,0]=3 20324 B13R1.28 COCCCCOc1ccccc1 7a_100000210340_100000730899 [0,2,0,0,0,0|1,0,0]=3 20325 B13R1.28 COCCCCOc1ccccc1 7a_100000752354_200000210301 [0,2,0,0,0,0|1,0,0]=3 20326 B13R1.28 COCCCCOc1cccnc1 34a_100000210849_100000755781 [0,2,0,0,0,0|2,0,0]=4 20327 B13R1.28 COCCCCOc1cccnc1 7a_100000210849_100000730899 [0,2,0,0,0,0|2,0,0]=4 20328 B13R1.28 COCCCCOc1ccncc1 34a_100000212176_100000755781 [0,2,0,0,0,0|2,0,0]=4 20329 B13R1.28 COCCCCSc1ccccc1 62a_100000719477_100000730899 [0,2,0,0,0,0|1,0,0]=3 20330 B13R1.28 COCCCCSc1ccccc1 62a_100000730899_100000041952 [0,2,0,0,0,0|1,0,0]=3 20331 B13R1.28 COCCCCSc1ccccn1 62a_100000730899_100011216584 [0,2,0,0,0,0|0,0,0]=2 20332 B13R1.28 COCCCCSc1ccccn1 62a_100011216584_100000730899 [0,2,0,0,0,0|0,0,0]=2 20333 B13R1.28 COCCCCSc1cccnc1 62a_100000210063_100000730899 [0,2,0,0,0,0|2,0,0]=4 20334 B13R1.28 COCCCCSc1cccnc1 62a_100000730899_100000210063 [0,2,0,0,0,0|2,0,0]=4 20335 B13R1.28 COCCCCSc1cccnn1 62a_100000730899_100016991348 [0,2,0,0,0,0|1,0,0]=3 20336 B13R1.28 COCCCCSc1cccnn1 62a_100016991348_100000730899 [0,2,0,0,0,0|1,0,0]=3 20337 B13R1.28 COCCCCSc1ccncc1 62a_100000728582_100000730899 [0,2,0,0,0,0|2,0,0]=4 20338 B13R1.28 COCCCCSc1ccncc1 62a_100000730899_100000728582 [0,2,0,0,0,0|2,0,0]=4 20339 B13R1.28 COCCCCSc1ccncn1 62a_100000703185_100000730899 [0,2,0,0,0,0|1,0,0]=3 20340 B13R1.28 COCCCCSc1ccncn1 62a_100000730899_100000703185 [0,2,0,0,0,0|1,0,0]=3 20341 B13R1.28 COCCCCSc1cnccn1 62a_100000211759_100000730899 [0,2,0,0,0,0|1,0,0]=3 20342 B13R1.28 COCCCCSc1cnccn1 62a_100000730899_100000211759 [0,2,0,0,0,0|1,0,0]=3 20343 B13R1.28 COCCCCSc1ncccn1 62a_100000211032_100000730899 [0,2,0,0,0,0|1,0,0]=3 20344 B13R1.28 COCCCCSc1ncccn1 62a_100000730899_100000211032 [0,2,0,0,0,0|1,0,0]=3 20345 B13R1.28 COCCCNCc1ccccc1 207a_100150723488_100015611070 [0,2,0,0,0,0|1,0,0]=3 20346 B13R1.28 COCCCNCc1ccccc1 2230a_100015324214_100000740836 [0,2,0,0,0,0|1,0,0]=3 20347 B13R1.28 COCCCNCc1ccccc1 270004a_100150723488_100015611070 [0,2,0,0,0,0|1,0,0]=3 20348 B13R1.28 COCCCNCc1ccccc1 34a_100000185501_200000210301 [0,2,0,0,0,0|1,0,0]=3 20349 B13R1.28 COCCCNCc1ccccc1 34a_100015324214_100000740836 [0,2,0,0,0,0|1,0,0]=3 20350 B13R1.28 COCCCNCc1ccccc1 34a_100150723488_100015291786 [0,2,0,0,0,0|1,0,0]=3 20351 B13R1.28 COCCCNCc1ccccn1 207a_100150723488_100000209966 [0,2,0,0,0,0|0,0,0]=2 20352 B13R1.28 COCCCNCc1ccccn1 270004a_100150723488_100000209966 [0,2,0,0,0,0|0,0,0]=2 20353 B13R1.28 COCCCNCc1ccccn1 34a_100150723488_100000721315 [0,2,0,0,0,0|0,0,0]=2 20354 B13R1.28 COCCCNCc1cccnc1 207a_100150723488_100000209961 [0,2,0,0,0,0|2,0,0]=4 20355 B13R1.28 COCCCNCc1cccnc1 270004a_100150723488_100000209961 [0,2,0,0,0,0|2,0,0]=4 20356 B13R1.28 COCCCNCc1cccnc1 34a_100150723488_100000733263 [0,2,0,0,0,0|2,0,0]=4 20357 B13R1.28 COCCCNCc1cccnn1 2230a_100159270163_100000740836 [0,2,0,0,0,0|1,0,0]=3 20358 B13R1.28 COCCCNCc1cccnn1 34a_100150723488_100016990269 [0,2,0,0,0,0|1,0,0]=3 20359 B13R1.28 COCCCNCc1ccncc1 207a_100150723488_100000186114 [0,2,0,0,0,0|2,0,0]=4 20360 B13R1.28 COCCCNCc1cnccn1 270004a_100150723488_100000749867 [0,2,0,0,0,0|1,0,0]=3 20361 B13R1.28 COCCCNCc1cnccn1 34a_100150723488_100016995436 [0,2,0,0,0,0|1,0,0]=3 20362 B13R1.28 COCCCNCc1ncccn1 270004a_100150723488_100011532527 [0,2,0,0,0,0|1,0,0]=3 20363 B13R1.28 COCCCNCc1ncccn1 34a_100150723488_100000703007 [0,2,0,0,0,0|1,0,0]=3 20364 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [0,2,0,0,0,0|1,0,0]=3 20365 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [0,2,0,0,0,0|1,0,0]=3 20366 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [0,2,0,0,0,0|1,0,0]=3 20367 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [0,2,0,0,0,0|1,0,0]=3 20368 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [0,2,0,0,0,0|1,0,0]=3 20369 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [0,2,0,0,0,0|1,0,0]=3 20370 B13R1.28 COCCCOCc1ccccn1 34a_100000740835_100000721315 [0,2,0,0,0,0|0,0,0]=2 20371 B13R1.28 COCCCOCc1cccnc1 34a_100000740835_100000733263 [0,2,0,0,0,0|2,0,0]=4 20372 B13R1.28 COCCCOCc1cccnn1 34a_100000740835_100016990269 [0,2,0,0,0,0|1,0,0]=3 20373 B13R1.28 COCCCOCc1cnccn1 34a_100000740835_100016995436 [0,2,0,0,0,0|1,0,0]=3 20374 B13R1.28 COCCCOCc1ncccn1 34a_100000740835_100000703007 [0,2,0,0,0,0|1,0,0]=3 20375 B13R1.28 COCCCSCc1ccccc1 62a_100000211182_100000709357 [0,2,0,0,0,0|1,0,0]=3 20376 B13R1.28 COCCCSCc1ccccc1 62a_100000709357_100015291786 [0,2,0,0,0,0|1,0,0]=3 20377 B13R1.28 COCCCSCc1ccccn1 62a_100000709357_100000721315 [0,2,0,0,0,0|0,0,0]=2 20378 B13R1.28 COCCCSCc1ccccn1 62a_100000721315_100000709357 [0,2,0,0,0,0|0,0,0]=2 20379 B13R1.28 COCCCSCc1cccnc1 62a_100000709357_100000741622 [0,2,0,0,0,0|2,0,0]=4 20380 B13R1.28 COCCCSCc1cccnc1 62a_100000741622_100000709357 [0,2,0,0,0,0|2,0,0]=4 20381 B13R1.28 COCCCSCc1cccnn1 62a_100000709357_100016990269 [0,2,0,0,0,0|1,0,0]=3 20382 B13R1.28 COCCCSCc1cccnn1 62a_100016990269_100000709357 [0,2,0,0,0,0|1,0,0]=3 20383 B13R1.28 COCCCSCc1ccncc1 62a_100000709357_100015193705 [0,2,0,0,0,0|2,0,0]=4 20384 B13R1.28 COCCCSCc1ccncc1 62a_100015193705_100000709357 [0,2,0,0,0,0|2,0,0]=4 20385 B13R1.28 COCCCSCc1cnccn1 62a_100000709357_100016995436 [0,2,0,0,0,0|1,0,0]=3 20386 B13R1.28 COCCCSCc1cnccn1 62a_100016995436_100000709357 [0,2,0,0,0,0|1,0,0]=3 20387 B13R1.28 COCCCSCc1ncccn1 62a_100000703007_100000709357 [0,2,0,0,0,0|1,0,0]=3 20388 B13R1.28 COCCCSCc1ncccn1 62a_100000709357_100000703007 [0,2,0,0,0,0|1,0,0]=3 20389 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [0,2,0,0,0,0|1,0,0]=3 20390 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [0,2,0,0,0,0|1,0,0]=3 20391 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [0,2,0,0,0,0|1,0,0]=3 20392 B13R1.28 COCCNCCc1ccccn1 2230a_100000209980_100015183660 [0,2,0,0,0,0|0,0,0]=2 20393 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [0,2,0,0,0,0|2,0,0]=4 20394 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [0,2,0,0,0,0|2,0,0]=4 20395 B13R1.28 COCCNCCc1ccncc1 2230a_100000209980_100000723409 [0,2,0,0,0,0|2,0,0]=4 20396 B13R1.28 COCCNCSc1ccccc1 2230a_100000209980_100011218342 [0,2,0,0,0,0|2,0,0]=4 20397 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [0,2,0,0,0,0|1,0,0]=3 20398 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [0,2,0,0,0,0|1,0,0]=3 20399 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [0,2,0,0,0,0|1,0,0]=3 20400 B13R1.28 COCCOCCc1ccccn1 34a_100000210271_100011201679 [0,2,0,0,0,0|0,0,0]=2 20401 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [0,2,0,0,0,0|2,0,0]=4 20402 B13R1.28 COCCOCCc1ccncc1 34a_100011216225_100011201679 [0,2,0,0,0,0|2,0,0]=4 20403 B13R1.28 COCCOCCc1cnccn1 34a_100011349526_100011201679 [0,2,0,0,0,0|1,0,0]=3 20404 B13R1.28 COCCOCSc1ccccc1 62a_100000231047_100000041952 [0,2,0,0,0,0|2,0,0]=4 20405 B13R1.28 COCCOCSc1ccccc1 62a_100000719477_100000231047 [0,2,0,0,0,0|2,0,0]=4 20406 B13R1.28 COCCOCSc1ccccn1 62a_100000231047_100011216584 [0,2,0,0,0,0|1,0,0]=3 20407 B13R1.28 COCCOCSc1ccccn1 62a_100011216584_100000231047 [0,2,0,0,0,0|1,0,0]=3 20408 B13R1.28 COCCOCSc1cccnn1 62a_100000231047_100016991348 [0,2,0,0,0,0|2,0,0]=4 20409 B13R1.28 COCCOCSc1cccnn1 62a_100016991348_100000231047 [0,2,0,0,0,0|2,0,0]=4 20410 B13R1.28 COCCOCSc1ccncn1 62a_100000231047_100000703185 [0,2,0,0,0,0|2,0,0]=4 20411 B13R1.28 COCCOCSc1ccncn1 62a_100000703185_100000231047 [0,2,0,0,0,0|2,0,0]=4 20412 B13R1.28 COCCOCSc1cnccn1 62a_100000211759_100000231047 [0,2,0,0,0,0|2,0,0]=4 20413 B13R1.28 COCCOCSc1cnccn1 62a_100000231047_100000211759 [0,2,0,0,0,0|2,0,0]=4 20414 B13R1.28 COCCOCSc1ncccn1 62a_100000211032_100000231047 [0,2,0,0,0,0|2,0,0]=4 20415 B13R1.28 COCCOCSc1ncccn1 62a_100000231047_100000211032 [0,2,0,0,0,0|2,0,0]=4 20416 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [0,2,0,0,0,0|1,0,0]=3 20417 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [0,2,0,0,0,0|1,0,0]=3 20418 B13R1.28 COCCSCCc1ccccn1 34a_100011362645_200000210301 [0,2,0,0,0,0|0,0,0]=2 20419 B13R1.28 COCCSCCc1ccccn1 62a_100000233755_100015183660 [0,2,0,0,0,0|0,0,0]=2 20420 B13R1.28 COCCSCCc1ccccn1 62a_100015183660_100000233755 [0,2,0,0,0,0|0,0,0]=2 20421 B13R1.28 COCCSCCc1ccccn1 7a_100011362645_200000210301 [0,2,0,0,0,0|0,0,0]=2 20422 B13R1.28 COCCSCCc1cccnc1 62a_100000233755_200011713674 [0,2,0,0,0,0|2,0,0]=4 20423 B13R1.28 COCCSCCc1cccnc1 62a_200011713674_100000233755 [0,2,0,0,0,0|2,0,0]=4 20424 B13R1.28 COCCSCCc1ccncc1 34a_200011193335_200000210301 [0,2,0,0,0,0|2,0,0]=4 20425 B13R1.28 COCCSCCc1ccncc1 62a_100000233755_100000723409 [0,2,0,0,0,0|2,0,0]=4 20426 B13R1.28 COCCSCCc1ccncc1 62a_100000723409_100000233755 [0,2,0,0,0,0|2,0,0]=4 20427 B13R1.28 COCCSCCc1ccncc1 7a_200011193335_200000210301 [0,2,0,0,0,0|2,0,0]=4 20428 B13R1.28 COCCSCSc1ccccc1 62a_100000233755_100011218342 [0,2,0,0,0,0|2,0,0]=4 20429 B13R1.28 COCCSCSc1ccccc1 62a_100011218342_100000233755 [0,2,0,0,0,0|2,0,0]=4 20430 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [0,2,0,0,0,0|1,0,0]=3 20431 B13R1.28 COCNCCCc1cccnc1 2230a_100011532358_100000766300 [0,2,0,0,0,0|2,0,0]=4 20432 B13R1.28 COCNCCCc1ccncc1 2230a_100011275580_100000766300 [0,2,0,0,0,0|2,0,0]=4 20433 B13R1.28 COCNCCOc1ccccc1 2230a_100000174943_100000766300 [0,2,0,0,0,0|2,0,0]=4 20434 B13R1.28 COCNCCOc1ccccn1 2230a_106741647558_100000766300 [0,2,0,0,0,0|1,0,0]=3 20435 B13R1.28 COCNCCSc1ccccc1 2230a_100000189519_100000766300 [0,2,0,0,0,0|2,0,0]=4 20436 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [0,2,0,0,0,0|1,0,0]=3 20437 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [0,2,0,0,0,0|1,0,0]=3 20438 B13R1.28 COCSCCOc1ccccc1 62a_100000184471_100000766300 [0,2,0,0,0,0|2,0,0]=4 20439 B13R1.28 COCSCCOc1ccccc1 62a_100000766300_100000184471 [0,2,0,0,0,0|2,0,0]=4 20440 B13R1.28 COCSCCSc1ccccc1 62a_100000246102_100000766300 [0,2,0,0,0,0|2,0,0]=4 20441 B13R1.28 COCSCCSc1ccccc1 62a_100000766300_100000246102 [0,2,0,0,0,0|2,0,0]=4 20442 B13R1.28 COCSCOCc1ccccc1 62a_100000763385_100000766300 [0,2,0,0,0,0|2,0,0]=4 20443 B13R1.28 COCSCOCc1ccccc1 62a_100000766300_100000763385 [0,2,0,0,0,0|2,0,0]=4 20444 B13R1.28 COCSCSCc1ccccc1 62a_100000766300_200011217039 [0,2,0,0,0,0|2,0,0]=4 20445 B13R1.28 COCSCSCc1ccccc1 62a_200011217039_100000766300 [0,2,0,0,0,0|2,0,0]=4 20446 B13R1.28 CSCCC=NNc1ccccn1 4a_100000183288_100000210997 [0,2,0,0,0,0|1,0,1]=4 20447 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [0,2,0,0,0,0|1,0,0]=3 20448 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [0,2,0,0,0,0|1,0,0]=3 20449 B13R1.28 CSCCCCOc1ccccc1 62a_100011215240_200000210301 [0,2,0,0,0,0|1,0,0]=3 20450 B13R1.28 CSCCCCOc1ccccc1 62a_200000210301_100011215240 [0,2,0,0,0,0|1,0,0]=3 20451 B13R1.28 CSCCCNCc1ccccc1 207a_100000749238_100015611070 [0,2,0,0,0,0|1,0,0]=3 20452 B13R1.28 CSCCCNCc1ccccc1 2230a_100000749238_100015291786 [0,2,0,0,0,0|1,0,0]=3 20453 B13R1.28 CSCCCNCc1ccccc1 270004a_100000749238_100015611070 [0,2,0,0,0,0|1,0,0]=3 20454 B13R1.28 CSCCCNCc1ccccn1 207a_100000749238_100000209966 [0,2,0,0,0,0|0,0,0]=2 20455 B13R1.28 CSCCCNCc1ccccn1 2230a_100000749238_100000721315 [0,2,0,0,0,0|0,0,0]=2 20456 B13R1.28 CSCCCNCc1ccccn1 270004a_100000749238_100000209966 [0,2,0,0,0,0|0,0,0]=2 20457 B13R1.28 CSCCCNCc1cccnc1 207a_100000749238_100000209961 [0,2,0,0,0,0|2,0,0]=4 20458 B13R1.28 CSCCCNCc1cccnc1 2230a_100000749238_100000741622 [0,2,0,0,0,0|2,0,0]=4 20459 B13R1.28 CSCCCNCc1cccnc1 270004a_100000749238_100000209961 [0,2,0,0,0,0|2,0,0]=4 20460 B13R1.28 CSCCCNCc1cccnn1 2230a_100000749238_100016990269 [0,2,0,0,0,0|1,0,0]=3 20461 B13R1.28 CSCCCNCc1ccncc1 207a_100000749238_100000186114 [0,2,0,0,0,0|2,0,0]=4 20462 B13R1.28 CSCCCNCc1ccncc1 2230a_100000749238_100015193705 [0,2,0,0,0,0|2,0,0]=4 20463 B13R1.28 CSCCCNCc1cnccn1 2230a_100000749238_100016995436 [0,2,0,0,0,0|1,0,0]=3 20464 B13R1.28 CSCCCNCc1cnccn1 270004a_100000749238_100000749867 [0,2,0,0,0,0|1,0,0]=3 20465 B13R1.28 CSCCCNCc1ncccn1 2230a_100000749238_100000703007 [0,2,0,0,0,0|1,0,0]=3 20466 B13R1.28 CSCCCNCc1ncccn1 270004a_100000749238_100011532527 [0,2,0,0,0,0|1,0,0]=3 20467 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [0,2,0,0,0,0|1,0,0]=3 20468 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [0,2,0,0,0,0|1,0,0]=3 20469 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [0,2,0,0,0,0|1,0,0]=3 20470 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [0,2,0,0,0,0|1,0,0]=3 20471 B13R1.28 CSCCCOCc1ccccn1 34a_100000690336_100000721315 [0,2,0,0,0,0|0,0,0]=2 20472 B13R1.28 CSCCCOCc1ccccn1 7a_100000690336_100000721315 [0,2,0,0,0,0|0,0,0]=2 20473 B13R1.28 CSCCCOCc1cccnc1 34a_100000690336_100000733263 [0,2,0,0,0,0|2,0,0]=4 20474 B13R1.28 CSCCCOCc1cccnc1 7a_100000690336_100000741622 [0,2,0,0,0,0|2,0,0]=4 20475 B13R1.28 CSCCCOCc1cccnn1 34a_100000690336_100016990269 [0,2,0,0,0,0|1,0,0]=3 20476 B13R1.28 CSCCCOCc1cccnn1 7a_100000690336_100016990269 [0,2,0,0,0,0|1,0,0]=3 20477 B13R1.28 CSCCCOCc1ccncc1 7a_100000690336_100015193705 [0,2,0,0,0,0|2,0,0]=4 20478 B13R1.28 CSCCCOCc1cnccn1 34a_100000690336_100016995436 [0,2,0,0,0,0|1,0,0]=3 20479 B13R1.28 CSCCCOCc1cnccn1 7a_100000690336_100016995436 [0,2,0,0,0,0|1,0,0]=3 20480 B13R1.28 CSCCCOCc1ncccn1 34a_100000690336_100000703007 [0,2,0,0,0,0|1,0,0]=3 20481 B13R1.28 CSCCCOCc1ncccn1 7a_100000690336_100000703007 [0,2,0,0,0,0|1,0,0]=3 20482 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [0,2,0,0,0,0|1,0,0]=3 20483 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [0,2,0,0,0,0|1,0,0]=3 20484 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [0,2,0,0,0,0|1,0,0]=3 20485 B13R1.28 CSCCNCCc1ccccn1 2230a_100020590264_100015183660 [0,2,0,0,0,0|0,0,0]=2 20486 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [0,2,0,0,0,0|2,0,0]=4 20487 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [0,2,0,0,0,0|2,0,0]=4 20488 B13R1.28 CSCCNCCc1ccncc1 2230a_100020590264_100000723409 [0,2,0,0,0,0|2,0,0]=4 20489 B13R1.28 CSCCNCSc1ccccc1 2230a_100020590264_100011218342 [0,2,0,0,0,0|2,0,0]=4 20490 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [0,2,0,0,0,0|1,0,0]=3 20491 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [0,2,0,0,0,0|1,0,0]=3 20492 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [0,2,0,0,0,0|1,0,0]=3 20493 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [0,2,0,0,0,0|1,0,0]=3 20494 B13R1.28 CSCCOCCc1ccccn1 34a_100000210271_100000212216 [0,2,0,0,0,0|0,0,0]=2 20495 B13R1.28 CSCCOCCc1ccccn1 7a_100000230434_100015183660 [0,2,0,0,0,0|0,0,0]=2 20496 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [0,2,0,0,0,0|2,0,0]=4 20497 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [0,2,0,0,0,0|2,0,0]=4 20498 B13R1.28 CSCCOCCc1ccncc1 34a_100011216225_100000212216 [0,2,0,0,0,0|2,0,0]=4 20499 B13R1.28 CSCCOCCc1ccncc1 7a_100000230434_100000723409 [0,2,0,0,0,0|2,0,0]=4 20500 B13R1.28 CSCCOCCc1cnccn1 34a_100011349526_100000212216 [0,2,0,0,0,0|1,0,0]=3 20501 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [0,2,0,0,0,0|1,0,0]=3 20502 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [0,2,0,0,0,0|1,0,0]=3 20503 B13R1.28 CSCCSCCc1ccccn1 62a_100000212216_100015183660 [0,2,0,0,0,0|0,0,0]=2 20504 B13R1.28 CSCCSCCc1ccccn1 62a_100015183660_100000751147 [0,2,0,0,0,0|0,0,0]=2 20505 B13R1.28 CSCCSCCc1cccnc1 62a_100000212216_200011713674 [0,2,0,0,0,0|2,0,0]=4 20506 B13R1.28 CSCCSCCc1cccnc1 62a_200011713674_100000751147 [0,2,0,0,0,0|2,0,0]=4 20507 B13R1.28 CSCCSCCc1ccncc1 62a_100000212216_100000723409 [0,2,0,0,0,0|2,0,0]=4 20508 B13R1.28 CSCCSCCc1ccncc1 62a_100000723409_100000751147 [0,2,0,0,0,0|2,0,0]=4 20509 B13R1.28 CSCCSCSc1ccccc1 62a_100000212216_100011218342 [0,2,0,0,0,0|2,0,0]=4 20510 B13R1.28 CSCCSCSc1ccccc1 62a_100011218342_100000751147 [0,2,0,0,0,0|2,0,0]=4 20511 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [0,2,0,0,0,0|1,0,0]=3 20512 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [0,2,0,0,0,0|1,0,0]=3 20513 B13R1.28 CSCNCCCc1cccnc1 2230a_100011532358_100011218213 [0,2,0,0,0,0|2,0,0]=4 20514 B13R1.28 CSCNCCCc1cccnc1 34a_100011532358_100011218213 [0,2,0,0,0,0|2,0,0]=4 20515 B13R1.28 CSCNCCCc1ccncc1 2230a_100011275580_100011218213 [0,2,0,0,0,0|2,0,0]=4 20516 B13R1.28 CSCNCCOc1ccccc1 2230a_100000174943_100011218213 [0,2,0,0,0,0|2,0,0]=4 20517 B13R1.28 CSCNCCOc1ccccc1 34a_100000174943_100011218213 [0,2,0,0,0,0|2,0,0]=4 20518 B13R1.28 CSCNCCOc1ccccn1 2230a_106741647558_100011218213 [0,2,0,0,0,0|1,0,0]=3 20519 B13R1.28 CSCNCCSc1ccccc1 2230a_100000189519_100011218213 [0,2,0,0,0,0|2,0,0]=4 20520 B13R1.28 CSCOCC#Cc1ccccn1 34a_100011894333_100011218213 [0,2,0,0,0,0|0,0,2]=4 20521 B13R1.28 CSCOCCCC1=CCC=CC1 34a_100020667889_100011218213 [0,2,0,0,0,0|1,0,1]=4 20522 B13R1.28 CSCOCCCc1ccccc1 34a_100000210828_100011218213 [0,2,0,0,0,0|1,0,0]=3 20523 B13R1.28 CSCOCCCc1ccccn1 34a_100011215068_100011218213 [0,2,0,0,0,0|0,0,0]=2 20524 B13R1.28 CSCOCCCc1cccnc1 34a_100000211284_100011218213 [0,2,0,0,0,0|2,0,0]=4 20525 B13R1.28 CSCOCCCc1ccncc1 34a_100000210659_100011218213 [0,2,0,0,0,0|2,0,0]=4 20526 B13R1.28 CSCOCCNc1ccccc1 34a_100000211345_100011218213 [0,2,0,0,0,0|2,0,0]=4 20527 B13R1.28 CSCOCCOc1ccccc1 34a_100000210260_100011218213 [0,2,0,0,0,0|2,0,0]=4 20528 B13R1.28 CSCSCCCc1ccccc1 62a_100000211621_100011218213 [0,2,0,0,0,0|1,0,0]=3 20529 B13R1.28 CSCSCCCc1ccccc1 62a_100011218213_100000211621 [0,2,0,0,0,0|1,0,0]=3 20530 B13R1.28 CSCSCCOc1ccccc1 62a_100000184471_100011218213 [0,2,0,0,0,0|2,0,0]=4 20531 B13R1.28 CSCSCCOc1ccccc1 62a_100011218213_100000184471 [0,2,0,0,0,0|2,0,0]=4 20532 B13R1.28 CSCSCCSc1ccccc1 62a_100000246102_100011218213 [0,2,0,0,0,0|2,0,0]=4 20533 B13R1.28 CSCSCCSc1ccccc1 62a_100011218213_100000246102 [0,2,0,0,0,0|2,0,0]=4 20534 B13R1.28 CSCSCOCc1ccccc1 62a_100000763385_100011218213 [0,2,0,0,0,0|2,0,0]=4 20535 B13R1.28 CSCSCOCc1ccccc1 62a_100011218213_100000763385 [0,2,0,0,0,0|2,0,0]=4 20536 B13R1.28 CSCSCSCc1ccccc1 62a_100011218213_200011217039 [0,2,0,0,0,0|2,0,0]=4 20537 B13R1.28 CSCSCSCc1ccccc1 62a_200011217039_100011218213 [0,2,0,0,0,0|2,0,0]=4 20538 B13R1.28 ClCC#CCOCc1ccccn1 34a_200000047223_100000721315 [0,2,0,0,0,0|0,0,2]=4 20539 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [0,2,0,0,0,0|1,0,0]=3 20540 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [0,2,0,0,0,0|1,0,0]=3 20541 B13R1.28 ClCCCCOCc1ccccn1 34a_100000210776_100000721315 [0,2,0,0,0,0|0,0,0]=2 20542 B13R1.28 ClCCCCOCc1ccccn1 7a_100000210776_100000721315 [0,2,0,0,0,0|0,0,0]=2 20543 B13R1.28 ClCCCCOCc1cccnc1 34a_100000210776_100000733263 [0,2,0,0,0,0|2,0,0]=4 20544 B13R1.28 ClCCCCOCc1cccnc1 7a_100000210776_100000741622 [0,2,0,0,0,0|2,0,0]=4 20545 B13R1.28 ClCCCCOCc1cccnn1 34a_100000210776_100016990269 [0,2,0,0,0,0|1,0,0]=3 20546 B13R1.28 ClCCCCOCc1cccnn1 7a_100000210776_100016990269 [0,2,0,0,0,0|1,0,0]=3 20547 B13R1.28 ClCCCCOCc1ccncc1 7a_100000210776_100015193705 [0,2,0,0,0,0|2,0,0]=4 20548 B13R1.28 ClCCCCOCc1cnccn1 34a_100000210776_100016995436 [0,2,0,0,0,0|1,0,0]=3 20549 B13R1.28 ClCCCCOCc1cnccn1 7a_100000210776_100016995436 [0,2,0,0,0,0|1,0,0]=3 20550 B13R1.28 ClCCCCOCc1ncccn1 34a_100000210776_100000703007 [0,2,0,0,0,0|1,0,0]=3 20551 B13R1.28 ClCCCCOCc1ncccn1 7a_100000210776_100000703007 [0,2,0,0,0,0|1,0,0]=3 20552 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [0,2,0,0,0,0|1,0,0]=3 20553 B13R1.28 FCCCCCNc1ccccc1 34a_100000106764_100000729378 [0,2,0,0,0,0|1,0,0]=3 20554 B13R1.28 FCCCCCOc1ccccc1 34a_100000210340_100000729378 [0,2,0,0,0,0|1,0,0]=3 20555 B13R1.28 FCCCCCOc1ccccc1 7a_100000210340_100000729378 [0,2,0,0,0,0|1,0,0]=3 20556 B13R1.28 FCCCCCOc1cccnc1 34a_100000210849_100000729378 [0,2,0,0,0,0|2,0,0]=4 20557 B13R1.28 FCCCCCOc1cccnc1 7a_100000210849_100000729378 [0,2,0,0,0,0|2,0,0]=4 20558 B13R1.28 FCCCCCOc1ccncc1 34a_100000212176_100000729378 [0,2,0,0,0,0|2,0,0]=4 20559 B13R1.28 FCCCCCSc1ccccc1 62a_100000719477_100000729378 [0,2,0,0,0,0|1,0,0]=3 20560 B13R1.28 FCCCCCSc1ccccc1 62a_100000729378_100000041952 [0,2,0,0,0,0|1,0,0]=3 20561 B13R1.28 FCCCCCSc1ccccn1 62a_100000729378_100011216584 [0,2,0,0,0,0|0,0,0]=2 20562 B13R1.28 FCCCCCSc1ccccn1 62a_100011216584_100000729378 [0,2,0,0,0,0|0,0,0]=2 20563 B13R1.28 FCCCCCSc1cccnc1 62a_100000210063_100000729378 [0,2,0,0,0,0|2,0,0]=4 20564 B13R1.28 FCCCCCSc1cccnc1 62a_100000729378_100000210063 [0,2,0,0,0,0|2,0,0]=4 20565 B13R1.28 FCCCCCSc1cccnn1 62a_100000729378_100016991348 [0,2,0,0,0,0|1,0,0]=3 20566 B13R1.28 FCCCCCSc1cccnn1 62a_100016991348_100000729378 [0,2,0,0,0,0|1,0,0]=3 20567 B13R1.28 FCCCCCSc1ccncc1 62a_100000728582_100000729378 [0,2,0,0,0,0|2,0,0]=4 20568 B13R1.28 FCCCCCSc1ccncc1 62a_100000729378_100000728582 [0,2,0,0,0,0|2,0,0]=4 20569 B13R1.28 FCCCCCSc1ccncn1 62a_100000703185_100000729378 [0,2,0,0,0,0|1,0,0]=3 20570 B13R1.28 FCCCCCSc1ccncn1 62a_100000729378_100000703185 [0,2,0,0,0,0|1,0,0]=3 20571 B13R1.28 FCCCCCSc1cnccn1 62a_100000211759_100000729378 [0,2,0,0,0,0|1,0,0]=3 20572 B13R1.28 FCCCCCSc1cnccn1 62a_100000729378_100000211759 [0,2,0,0,0,0|1,0,0]=3 20573 B13R1.28 FCCCCCSc1ncccn1 62a_100000211032_100000729378 [0,2,0,0,0,0|1,0,0]=3 20574 B13R1.28 FCCCCCSc1ncccn1 62a_100000729378_100000211032 [0,2,0,0,0,0|1,0,0]=3 20575 B13R1.28 FCCCCNCc1ccccc1 2230a_100015324214_100000729493 [0,2,0,0,0,0|1,0,0]=3 20576 B13R1.28 FCCCCNCc1ccccc1 34a_100015324214_100000729493 [0,2,0,0,0,0|1,0,0]=3 20577 B13R1.28 FCCCCNCc1cccnn1 2230a_100159270163_100000729493 [0,2,0,0,0,0|1,0,0]=3 20578 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [0,2,0,0,0,0|1,0,0]=3 20579 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [0,2,0,0,0,0|1,0,0]=3 20580 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [0,2,0,0,0,0|1,0,0]=3 20581 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [0,2,0,0,0,0|1,0,0]=3 20582 B13R1.28 FCCCCOCc1ccccn1 34a_100011995726_100000721315 [0,2,0,0,0,0|0,0,0]=2 20583 B13R1.28 FCCCCOCc1ccccn1 7a_100011995726_100000721315 [0,2,0,0,0,0|0,0,0]=2 20584 B13R1.28 FCCCCOCc1cccnc1 34a_100011995726_100000733263 [0,2,0,0,0,0|2,0,0]=4 20585 B13R1.28 FCCCCOCc1cccnc1 7a_100011995726_100000741622 [0,2,0,0,0,0|2,0,0]=4 20586 B13R1.28 FCCCCOCc1cccnn1 34a_100011995726_100016990269 [0,2,0,0,0,0|1,0,0]=3 20587 B13R1.28 FCCCCOCc1cccnn1 7a_100011995726_100016990269 [0,2,0,0,0,0|1,0,0]=3 20588 B13R1.28 FCCCCOCc1ccncc1 7a_100011995726_100015193705 [0,2,0,0,0,0|2,0,0]=4 20589 B13R1.28 FCCCCOCc1cnccn1 34a_100011995726_100016995436 [0,2,0,0,0,0|1,0,0]=3 20590 B13R1.28 FCCCCOCc1cnccn1 7a_100011995726_100016995436 [0,2,0,0,0,0|1,0,0]=3 20591 B13R1.28 FCCCCOCc1ncccn1 34a_100011995726_100000703007 [0,2,0,0,0,0|1,0,0]=3 20592 B13R1.28 FCCCCOCc1ncccn1 7a_100011995726_100000703007 [0,2,0,0,0,0|1,0,0]=3 20593 B13R1.28 FCCCCSCc1ccccc1 62a_100000211182_100000729493 [0,2,0,0,0,0|1,0,0]=3 20594 B13R1.28 FCCCCSCc1ccccc1 62a_100000729493_100015291786 [0,2,0,0,0,0|1,0,0]=3 20595 B13R1.28 FCCCCSCc1ccccn1 62a_100000721315_100000729493 [0,2,0,0,0,0|0,0,0]=2 20596 B13R1.28 FCCCCSCc1ccccn1 62a_100000729493_100000721315 [0,2,0,0,0,0|0,0,0]=2 20597 B13R1.28 FCCCCSCc1cccnc1 62a_100000729493_100000741622 [0,2,0,0,0,0|2,0,0]=4 20598 B13R1.28 FCCCCSCc1cccnc1 62a_100000741622_100000729493 [0,2,0,0,0,0|2,0,0]=4 20599 B13R1.28 FCCCCSCc1cccnn1 62a_100000729493_100016990269 [0,2,0,0,0,0|1,0,0]=3 20600 B13R1.28 FCCCCSCc1cccnn1 62a_100016990269_100000729493 [0,2,0,0,0,0|1,0,0]=3 20601 B13R1.28 FCCCCSCc1ccncc1 62a_100000729493_100015193705 [0,2,0,0,0,0|2,0,0]=4 20602 B13R1.28 FCCCCSCc1ccncc1 62a_100015193705_100000729493 [0,2,0,0,0,0|2,0,0]=4 20603 B13R1.28 FCCCCSCc1cnccn1 62a_100000729493_100016995436 [0,2,0,0,0,0|1,0,0]=3 20604 B13R1.28 FCCCCSCc1cnccn1 62a_100016995436_100000729493 [0,2,0,0,0,0|1,0,0]=3 20605 B13R1.28 FCCCCSCc1ncccn1 62a_100000703007_100000729493 [0,2,0,0,0,0|1,0,0]=3 20606 B13R1.28 FCCCCSCc1ncccn1 62a_100000729493_100000703007 [0,2,0,0,0,0|1,0,0]=3 20607 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [0,2,0,0,0,0|1,0,0]=3 20608 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [0,2,0,0,0,0|1,0,0]=3 20609 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [0,2,0,0,0,0|1,0,0]=3 20610 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [0,2,0,0,0,0|1,0,0]=3 20611 B13R1.28 FCCCNCCc1ccccn1 2230a_100015189416_100015183660 [0,2,0,0,0,0|0,0,0]=2 20612 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [0,2,0,0,0,0|2,0,0]=4 20613 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [0,2,0,0,0,0|2,0,0]=4 20614 B13R1.28 FCCCNCCc1ccncc1 2230a_100015189416_100000723409 [0,2,0,0,0,0|2,0,0]=4 20615 B13R1.28 FCCCNCSc1ccccc1 2230a_100015189416_100011218342 [0,2,0,0,0,0|2,0,0]=4 20616 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [0,2,0,0,0,0|1,0,0]=3 20617 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [0,2,0,0,0,0|1,0,0]=3 20618 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [0,2,0,0,0,0|1,0,0]=3 20619 B13R1.28 FCCCOCCc1ccccn1 34a_100000210271_100011934791 [0,2,0,0,0,0|0,0,0]=2 20620 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [0,2,0,0,0,0|2,0,0]=4 20621 B13R1.28 FCCCOCCc1ccncc1 34a_100011216225_100011934791 [0,2,0,0,0,0|2,0,0]=4 20622 B13R1.28 FCCCOCCc1cnccn1 34a_100011349526_100011934791 [0,2,0,0,0,0|1,0,0]=3 20623 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [0,2,0,0,0,0|1,0,0]=3 20624 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [0,2,0,0,0,0|1,0,0]=3 20625 B13R1.28 FCCCSCCc1ccccn1 62a_100011934791_100015183660 [0,2,0,0,0,0|0,0,0]=2 20626 B13R1.28 FCCCSCCc1ccccn1 62a_100015183660_100011934791 [0,2,0,0,0,0|0,0,0]=2 20627 B13R1.28 FCCCSCCc1cccnc1 62a_100011934791_200011713674 [0,2,0,0,0,0|2,0,0]=4 20628 B13R1.28 FCCCSCCc1cccnc1 62a_200011713674_100011934791 [0,2,0,0,0,0|2,0,0]=4 20629 B13R1.28 FCCCSCCc1ccncc1 62a_100000723409_100011934791 [0,2,0,0,0,0|2,0,0]=4 20630 B13R1.28 FCCCSCCc1ccncc1 62a_100011934791_100000723409 [0,2,0,0,0,0|2,0,0]=4 20631 B13R1.28 FCCCSCSc1ccccc1 62a_100011218342_100011934791 [0,2,0,0,0,0|2,0,0]=4 20632 B13R1.28 FCCCSCSc1ccccc1 62a_100011934791_100011218342 [0,2,0,0,0,0|2,0,0]=4 20633 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [0,2,0,0,0,0|1,0,0]=3 20634 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [0,2,0,0,0,0|1,0,0]=3 20635 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [0,2,0,0,0,0|1,0,0]=3 20636 B13R1.28 FCCNCCCc1cccnc1 2230a_100011532358_100011217306 [0,2,0,0,0,0|2,0,0]=4 20637 B13R1.28 FCCNCCCc1cccnc1 34a_100011532358_100011217306 [0,2,0,0,0,0|2,0,0]=4 20638 B13R1.28 FCCNCCCc1ccncc1 2230a_100011275580_100011217306 [0,2,0,0,0,0|2,0,0]=4 20639 B13R1.28 FCCNCCOc1ccccc1 2230a_100000174943_100011217306 [0,2,0,0,0,0|2,0,0]=4 20640 B13R1.28 FCCNCCOc1ccccc1 34a_100000174943_100011217306 [0,2,0,0,0,0|2,0,0]=4 20641 B13R1.28 FCCNCCOc1ccccc1 34a_100000724931_100000184471 [0,2,0,0,0,0|2,0,0]=4 20642 B13R1.28 FCCNCCOc1ccccn1 2230a_106741647558_100011217306 [0,2,0,0,0,0|1,0,0]=3 20643 B13R1.28 FCCNCCSc1ccccc1 2230a_100000189519_100011217306 [0,2,0,0,0,0|2,0,0]=4 20644 B13R1.28 FCCNCCSc1ccccc1 34a_100000724931_100000246102 [0,2,0,0,0,0|2,0,0]=4 20645 B13R1.28 FCCNCOCc1ccccc1 34a_100000724931_100000763385 [0,2,0,0,0,0|2,0,0]=4 20646 B13R1.28 FCCNCSCc1ccccc1 34a_100000724931_200011217039 [0,2,0,0,0,0|2,0,0]=4 20647 B13R1.28 FCCOCC#Cc1ccccn1 34a_100011894333_100011217306 [0,2,0,0,0,0|0,0,2]=4 20648 B13R1.28 FCCOCCCC1=CCC=CC1 34a_100020667889_100011217306 [0,2,0,0,0,0|1,0,1]=4 20649 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [0,2,0,0,0,0|1,0,0]=3 20650 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [0,2,0,0,0,0|1,0,0]=3 20651 B13R1.28 FCCOCCCc1ccccn1 34a_100011215068_100011217306 [0,2,0,0,0,0|0,0,0]=2 20652 B13R1.28 FCCOCCCc1cccnc1 34a_100000211284_100011217306 [0,2,0,0,0,0|2,0,0]=4 20653 B13R1.28 FCCOCCCc1ccncc1 34a_100000210659_100011217306 [0,2,0,0,0,0|2,0,0]=4 20654 B13R1.28 FCCOCCNc1ccccc1 34a_100000211345_100011217306 [0,2,0,0,0,0|2,0,0]=4 20655 B13R1.28 FCCOCCOc1ccccc1 34a_100000210260_100011217306 [0,2,0,0,0,0|2,0,0]=4 20656 B13R1.28 FCCOCCOc1ccccc1 7a_100000210260_100011217306 [0,2,0,0,0,0|2,0,0]=4 20657 B13R1.28 FCCOCCSc1ccccc1 7a_100000230494_100011217306 [0,2,0,0,0,0|2,0,0]=4 20658 B13R1.28 FCCOCCSc1ccccn1 7a_100000156319_100011217306 [0,2,0,0,0,0|1,0,0]=3 20659 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [0,2,0,0,0,0|1,0,0]=3 20660 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [0,2,0,0,0,0|1,0,0]=3 20661 B13R1.28 FCCSCCOc1ccccc1 62a_100000184471_100011217306 [0,2,0,0,0,0|2,0,0]=4 20662 B13R1.28 FCCSCCOc1ccccc1 62a_100011217306_100000184471 [0,2,0,0,0,0|2,0,0]=4 20663 B13R1.28 FCCSCCSc1ccccc1 62a_100000246102_100011217306 [0,2,0,0,0,0|2,0,0]=4 20664 B13R1.28 FCCSCCSc1ccccc1 62a_100011217306_100000246102 [0,2,0,0,0,0|2,0,0]=4 20665 B13R1.28 FCCSCOCc1ccccc1 62a_100000763385_100011217306 [0,2,0,0,0,0|2,0,0]=4 20666 B13R1.28 FCCSCOCc1ccccc1 62a_100011217306_100000763385 [0,2,0,0,0,0|2,0,0]=4 20667 B13R1.28 FCCSCSCc1ccccc1 62a_100011217306_200011217039 [0,2,0,0,0,0|2,0,0]=4 20668 B13R1.28 FCCSCSCc1ccccc1 62a_200011217039_100011217306 [0,2,0,0,0,0|2,0,0]=4 20669 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [0,2,0,0,0,0|1,0,0]=3 20670 B13R1.28 FCNCCCOc1ccccc1 34a_100000216521_100015361967 [0,2,0,0,0,0|2,0,0]=4 20671 B13R1.28 FCNCCOCc1ccccc1 34a_100000753106_100015361967 [0,2,0,0,0,0|2,0,0]=4 20672 B13R1.28 FCNCCSCc1ccccc1 34a_100000189534_100015361967 [0,2,0,0,0,0|2,0,0]=4 20673 B13R1.28 FCNCCSCc1ccccc1 7a_100000189534_100015361967 [0,2,0,0,0,0|2,0,0]=4 20674 B13R1.28 FCNCCSSc1ccccn1 7a_100016995281_100015361967 [0,2,0,0,0,0|2,0,0]=4 20675 B13R1.28 FCOCCC#Cc1ccccn1 34a_200011894334_100015361967 [0,2,0,0,0,0|0,0,2]=4 20676 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [0,2,0,0,0,0|1,0,0]=3 20677 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [0,2,0,0,0,0|1,0,0]=3 20678 B13R1.28 FCOCCCCc1ccccn1 34a_100012186994_100015361967 [0,2,0,0,0,0|0,0,0]=2 20679 B13R1.28 FCOCCCCc1cccnc1 34a_100012039607_100015361967 [0,2,0,0,0,0|2,0,0]=4 20680 B13R1.28 FCOCCCCc1cccnc1 7a_100012039607_100015361967 [0,2,0,0,0,0|2,0,0]=4 20681 B13R1.28 FCOCCCCc1ccncc1 34a_100011787716_100015361967 [0,2,0,0,0,0|2,0,0]=4 20682 B13R1.28 FCOCCCNc1ccccc1 34a_100000212590_100015361967 [0,2,0,0,0,0|2,0,0]=4 20683 B13R1.28 FCOCCCOc1ccccc1 34a_100011215863_100015361967 [0,2,0,0,0,0|2,0,0]=4 20684 B13R1.28 FCOCCCOc1ccccc1 7a_100011215863_100015361967 [0,2,0,0,0,0|2,0,0]=4 20685 B13R1.28 FCOCCNCc1ccccc1 34a_100000180844_100015361967 [0,2,0,0,0,0|2,0,0]=4 20686 B13R1.28 FCOCCOCc1ccccc1 34a_100000759325_100015361967 [0,2,0,0,0,0|2,0,0]=4 20687 B13R1.28 FCOCCOCc1ccccc1 7a_100000759325_100015361967 [0,2,0,0,0,0|2,0,0]=4 20688 B13R1.28 FCOCCSCc1ccccc1 34a_100011205989_100015361967 [0,2,0,0,0,0|2,0,0]=4 20689 B13R1.28 FCOCCSCc1ccccc1 7a_100011205989_100015361967 [0,2,0,0,0,0|2,0,0]=4 20690 B13R1.28 FCOCCSSc1ccccn1 7a_100009993218_100015361967 [0,2,0,0,0,0|2,0,0]=4 20691 B13R1.28 FCSCCCCc1ccccc1 62a_100000701786_100015361967 [0,2,0,0,0,0|1,0,0]=3 20692 B13R1.28 FCSCCCCc1ccccc1 62a_100015361967_100000701786 [0,2,0,0,0,0|1,0,0]=3 20693 B13R1.28 FCSCCCCc1ccncc1 62a_100015361967_100020630000 [0,2,0,0,0,0|2,0,0]=4 20694 B13R1.28 FCSCCCCc1ccncc1 62a_100020630000_100015361967 [0,2,0,0,0,0|2,0,0]=4 20695 B13R1.28 FCSCCCOc1ccccc1 62a_100000199009_100015361967 [0,2,0,0,0,0|2,0,0]=4 20696 B13R1.28 FCSCCCOc1ccccc1 62a_100015361967_100000199009 [0,2,0,0,0,0|2,0,0]=4 20697 B13R1.28 FCSCCCSc1ccccc1 62a_100015361967_200011203293 [0,2,0,0,0,0|2,0,0]=4 20698 B13R1.28 FCSCCCSc1ccccc1 62a_200011203293_100015361967 [0,2,0,0,0,0|2,0,0]=4 20699 B13R1.28 FCSCCOCc1ccccc1 62a_100000234347_100015361967 [0,2,0,0,0,0|2,0,0]=4 20700 B13R1.28 FCSCCOCc1ccccc1 62a_100015361967_100000234347 [0,2,0,0,0,0|2,0,0]=4 20701 B13R1.28 FCSCCSCc1ccccc1 62a_100015361967_200011297719 [0,2,0,0,0,0|2,0,0]=4 20702 B13R1.28 FCSCCSCc1ccccc1 62a_200011297719_100015361967 [0,2,0,0,0,0|2,0,0]=4 20703 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [0,2,0,0,0,0|1,0,0]=3 20704 B13R1.28 ICCCCOCc1ccccn1 34a_200012148704_100000721315 [0,2,0,0,0,0|0,0,0]=2 20705 B13R1.28 ICCCCOCc1cccnc1 34a_200012148704_100000733263 [0,2,0,0,0,0|2,0,0]=4 20706 B13R1.28 ICCCCOCc1cccnn1 34a_200012148704_100016990269 [0,2,0,0,0,0|1,0,0]=3 20707 B13R1.28 ICCCCOCc1cnccn1 34a_200012148704_100016995436 [0,2,0,0,0,0|1,0,0]=3 20708 B13R1.28 ICCCCOCc1ncccn1 34a_200012148704_100000703007 [0,2,0,0,0,0|1,0,0]=3 20709 B13R1.28 N#CCCCCNc1cccnn1 27a_100000751965_100016991348 [0,2,0,0,0,0|1,0,1]=4 20710 B13R1.28 N#CCCCCNc1ccncn1 27a_100000751965_100000703185 [0,2,0,0,0,0|1,0,1]=4 20711 B13R1.28 N#CCCCCNc1cnccn1 27a_100000751965_100000211759 [0,2,0,0,0,0|1,0,1]=4 20712 B13R1.28 N#CCCCCNc1ncccn1 27a_100000751965_100000211032 [0,2,0,0,0,0|1,0,1]=4 20713 B13R1.28 N#CCCCCOc1ccccc1 7a_100000210340_100000211819 [0,2,0,0,0,0|1,0,1]=4 20714 B13R1.28 N#CCCCCSc1ccccc1 62a_100000719477_100000211819 [0,2,0,0,0,0|1,0,1]=4 20715 B13R1.28 N#CCCCCSc1ccccc1 62a_100011219923_100000041952 [0,2,0,0,0,0|1,0,1]=4 20716 B13R1.28 N#CCCCCSc1ccccn1 62a_100011216584_100000211819 [0,2,0,0,0,0|0,0,1]=3 20717 B13R1.28 N#CCCCCSc1ccccn1 62a_100011219923_100011216584 [0,2,0,0,0,0|0,0,1]=3 20718 B13R1.28 N#CCCCCSc1cccnn1 62a_100011219923_100016991348 [0,2,0,0,0,0|1,0,1]=4 20719 B13R1.28 N#CCCCCSc1cccnn1 62a_100016991348_100000211819 [0,2,0,0,0,0|1,0,1]=4 20720 B13R1.28 N#CCCCCSc1ccncn1 62a_100000703185_100000211819 [0,2,0,0,0,0|1,0,1]=4 20721 B13R1.28 N#CCCCCSc1ccncn1 62a_100011219923_100000703185 [0,2,0,0,0,0|1,0,1]=4 20722 B13R1.28 N#CCCCCSc1cnccn1 62a_100000211759_100000211819 [0,2,0,0,0,0|1,0,1]=4 20723 B13R1.28 N#CCCCCSc1cnccn1 62a_100011219923_100000211759 [0,2,0,0,0,0|1,0,1]=4 20724 B13R1.28 N#CCCCCSc1ncccn1 62a_100000211032_100000211819 [0,2,0,0,0,0|1,0,1]=4 20725 B13R1.28 N#CCCCCSc1ncccn1 62a_100011219923_100000211032 [0,2,0,0,0,0|1,0,1]=4 20726 B13R1.28 N#CCCCNCc1ccccc1 2230a_100015324214_100000687738 [0,2,0,0,0,0|1,0,1]=4 20727 B13R1.28 N#CCCCNCc1cccnn1 2230a_100159270163_100000687738 [0,2,0,0,0,0|1,0,1]=4 20728 B13R1.28 N#CCCCOCc1ccccc1 7a_100000210790_100000687738 [0,2,0,0,0,0|1,0,1]=4 20729 B13R1.28 N#CCCCSCc1ccccc1 62a_100000211182_100000687738 [0,2,0,0,0,0|1,0,1]=4 20730 B13R1.28 N#CCCCSCc1ccccc1 62a_100000687738_100015291786 [0,2,0,0,0,0|1,0,1]=4 20731 B13R1.28 N#CCCCSCc1ccccn1 62a_100000687738_100000721315 [0,2,0,0,0,0|0,0,1]=3 20732 B13R1.28 N#CCCCSCc1ccccn1 62a_100000721315_100000687738 [0,2,0,0,0,0|0,0,1]=3 20733 B13R1.28 N#CCCCSCc1cccnn1 62a_100000687738_100016990269 [0,2,0,0,0,0|1,0,1]=4 20734 B13R1.28 N#CCCCSCc1cccnn1 62a_100016990269_100000687738 [0,2,0,0,0,0|1,0,1]=4 20735 B13R1.28 N#CCCCSCc1cnccn1 62a_100000687738_100016995436 [0,2,0,0,0,0|1,0,1]=4 20736 B13R1.28 N#CCCCSCc1cnccn1 62a_100016995436_100000687738 [0,2,0,0,0,0|1,0,1]=4 20737 B13R1.28 N#CCCCSCc1ncccn1 62a_100000687738_100000703007 [0,2,0,0,0,0|1,0,1]=4 20738 B13R1.28 N#CCCCSCc1ncccn1 62a_100000703007_100000687738 [0,2,0,0,0,0|1,0,1]=4 20739 B13R1.28 N#CCCNCCc1ccccc1 2230a_100000106460_100011215226 [0,2,0,0,0,0|1,0,1]=4 20740 B13R1.28 N#CCCOCCc1ccccc1 7a_100000210268_100000184422 [0,2,0,0,0,0|1,0,1]=4 20741 B13R1.28 N#CCCSCCc1ccccc1 62a_100000765856_100011215226 [0,2,0,0,0,0|1,0,1]=4 20742 B13R1.28 N#CCCSCCc1ccccc1 62a_100011215226_100011218657 [0,2,0,0,0,0|1,0,1]=4 20743 B13R1.28 N#CCCSCCc1ccccn1 62a_100011215226_100015183660 [0,2,0,0,0,0|0,0,1]=3 20744 B13R1.28 N#CCCSCCc1ccccn1 62a_100015183660_100011215226 [0,2,0,0,0,0|0,0,1]=3 20745 B13R1.28 N#CCNCCCc1ccccc1 2230a_100000211184_100011215382 [0,2,0,0,0,0|1,0,1]=4 20746 B13R1.28 N#CCNCCOc1ccccn1 2230a_106741647558_100011215382 [0,2,0,0,0,0|1,0,1]=4 20747 B13R1.28 N#CCOCCCc1ccccc1 7a_100000210828_100011215382 [0,2,0,0,0,0|1,0,1]=4 20748 B13R1.28 N#CCOCCSc1ccccn1 62a_100011216584_200000047693 [0,2,0,0,0,0|1,0,1]=4 20749 B13R1.28 N#CCOCCSc1ccccn1 62a_200000047693_100011216584 [0,2,0,0,0,0|1,0,1]=4 20750 B13R1.28 N#CCOCCSc1ccccn1 7a_100000156319_100011215382 [0,2,0,0,0,0|1,0,1]=4 20751 B13R1.28 N#CCSCCCc1ccccc1 62a_100000211621_100011215382 [0,2,0,0,0,0|1,0,1]=4 20752 B13R1.28 N#CCSCCCc1ccccc1 62a_100011215382_100000211621 [0,2,0,0,0,0|1,0,1]=4 20753 B13R1.28 N#CSCCSCc1ccccn1 62a_100000034367_100000721315 [0,2,0,0,0,0|1,0,1]=4 20754 B13R1.28 N#CSCCSCc1ccccn1 62a_100000721315_100000034367 [0,2,0,0,0,0|1,0,1]=4 20755 B13R1.28 N#CSCSCCc1ccccn1 62a_100000211825_100015183660 [0,2,0,0,0,0|1,0,1]=4 20756 B13R1.28 N#CSCSCCc1ccccn1 62a_100015183660_100000211825 [0,2,0,0,0,0|1,0,1]=4 20757 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [0,2,0,0,0,0|1,0,0]=3 20758 B13R1.28 NCCCCOCc1ccccn1 34a_100000750430_100000721315 [0,2,0,0,0,0|0,0,0]=2 20759 B13R1.28 NCCCCOCc1cccnc1 34a_100000750430_100000733263 [0,2,0,0,0,0|2,0,0]=4 20760 B13R1.28 NCCCCOCc1cccnn1 34a_100000750430_100016990269 [0,2,0,0,0,0|1,0,0]=3 20761 B13R1.28 NCCCCOCc1cnccn1 34a_100000750430_100016995436 [0,2,0,0,0,0|1,0,0]=3 20762 B13R1.28 NCCCCOCc1ncccn1 34a_100000750430_100000703007 [0,2,0,0,0,0|1,0,0]=3 20763 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [0,2,0,0,0,0|1,0,0]=3 20764 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [0,2,0,0,0,0|1,0,0]=3 20765 B13R1.28 NCCOCCOc1ccccc1 34a_100000210304_100000184471 [0,2,0,0,0,0|2,0,0]=4 20766 B13R1.28 NCCOCCSc1ccccc1 34a_100000210304_100000246102 [0,2,0,0,0,0|2,0,0]=4 20767 B13R1.28 NCCOCOCc1ccccc1 34a_100000210304_100000763385 [0,2,0,0,0,0|2,0,0]=4 20768 B13R1.28 NCCOCSCc1ccccc1 34a_100000210304_200011217039 [0,2,0,0,0,0|2,0,0]=4 20769 B13R1.28 NOCCOCCc1ccccc1 34a_100000700252_100000765856 [0,2,0,0,0,0|2,0,0]=4 20770 B13R1.28 O=CCCCCOc1ccccc1 7a_100000210340_100000139335 [0,2,0,0,0,0|1,0,1]=4 20771 B13R1.28 O=CCCCCSc1ccccc1 62a_100000139335_100000041952 [0,2,0,0,0,0|1,0,1]=4 20772 B13R1.28 O=CCCCCSc1ccccc1 62a_100000719477_100000139335 [0,2,0,0,0,0|1,0,1]=4 20773 B13R1.28 O=CCCCCSc1ccccn1 62a_100000139335_100011216584 [0,2,0,0,0,0|0,0,1]=3 20774 B13R1.28 O=CCCCCSc1ccccn1 62a_100011216584_100000139335 [0,2,0,0,0,0|0,0,1]=3 20775 B13R1.28 O=CCCCCSc1cccnn1 62a_100000139335_100016991348 [0,2,0,0,0,0|1,0,1]=4 20776 B13R1.28 O=CCCCCSc1cccnn1 62a_100016991348_100000139335 [0,2,0,0,0,0|1,0,1]=4 20777 B13R1.28 O=CCCCCSc1ccncn1 62a_100000139335_100000703185 [0,2,0,0,0,0|1,0,1]=4 20778 B13R1.28 O=CCCCCSc1ccncn1 62a_100000703185_100000139335 [0,2,0,0,0,0|1,0,1]=4 20779 B13R1.28 O=CCCCCSc1cnccn1 62a_100000139335_100000211759 [0,2,0,0,0,0|1,0,1]=4 20780 B13R1.28 O=CCCCCSc1cnccn1 62a_100000211759_100000139335 [0,2,0,0,0,0|1,0,1]=4 20781 B13R1.28 O=CCCCCSc1ncccn1 62a_100000139335_100000211032 [0,2,0,0,0,0|1,0,1]=4 20782 B13R1.28 O=CCCCCSc1ncccn1 62a_100000211032_100000139335 [0,2,0,0,0,0|1,0,1]=4 20783 B13R1.28 O=CCCCNCc1ccccc1 2230a_100015324214_200011292268 [0,2,0,0,0,0|1,0,1]=4 20784 B13R1.28 O=CCCCNCc1cccnn1 2230a_100159270163_200011292268 [0,2,0,0,0,0|1,0,1]=4 20785 B13R1.28 O=CCCCOCc1ccccc1 7a_100000210790_200011292268 [0,2,0,0,0,0|1,0,1]=4 20786 B13R1.28 O=CCCCSCc1ccccc1 62a_100000211182_200011292268 [0,2,0,0,0,0|1,0,1]=4 20787 B13R1.28 O=CCCCSCc1ccccc1 62a_200011292268_100015291786 [0,2,0,0,0,0|1,0,1]=4 20788 B13R1.28 O=CCCCSCc1ccccn1 62a_100000721315_200011292268 [0,2,0,0,0,0|0,0,1]=3 20789 B13R1.28 O=CCCCSCc1ccccn1 62a_200011292268_100000721315 [0,2,0,0,0,0|0,0,1]=3 20790 B13R1.28 O=CCCCSCc1cccnn1 62a_100016990269_200011292268 [0,2,0,0,0,0|1,0,1]=4 20791 B13R1.28 O=CCCCSCc1cccnn1 62a_200011292268_100016990269 [0,2,0,0,0,0|1,0,1]=4 20792 B13R1.28 O=CCCCSCc1cnccn1 62a_100016995436_200011292268 [0,2,0,0,0,0|1,0,1]=4 20793 B13R1.28 O=CCCCSCc1cnccn1 62a_200011292268_100016995436 [0,2,0,0,0,0|1,0,1]=4 20794 B13R1.28 O=CCCCSCc1ncccn1 62a_100000703007_200011292268 [0,2,0,0,0,0|1,0,1]=4 20795 B13R1.28 O=CCCCSCc1ncccn1 62a_200011292268_100000703007 [0,2,0,0,0,0|1,0,1]=4 20796 B13R1.28 O=CCNCCCc1ccccc1 2230a_100000211184_200015260668 [0,2,0,0,0,0|1,0,1]=4 20797 B13R1.28 O=CCNCCCc1ccccc1 34a_100000211184_200009817547 [0,2,0,0,0,0|1,0,1]=4 20798 B13R1.28 O=CCNCCOc1ccccn1 2230a_106741647558_200015260668 [0,2,0,0,0,0|1,0,1]=4 20799 B13R1.28 O=CCOCCCc1ccccc1 34a_100000210828_200009817547 [0,2,0,0,0,0|1,0,1]=4 20800 B13R1.28 O=CCOCCCc1ccccc1 7a_100000210828_200015260668 [0,2,0,0,0,0|1,0,1]=4 20801 B13R1.28 O=CCOCCCc1ccccn1 34a_100011215068_200009817547 [0,2,0,0,0,0|0,0,1]=3 20802 B13R1.28 O=CCOCCSc1ccccn1 7a_100000156319_200015260668 [0,2,0,0,0,0|1,0,1]=4 20803 B13R1.28 O=CCSCCCc1ccccc1 62a_100000211621_200015260668 [0,2,0,0,0,0|1,0,1]=4 20804 B13R1.28 O=CCSCCCc1ccccc1 62a_200015260668_100000211621 [0,2,0,0,0,0|1,0,1]=4 20805 B13R1.28 OCC#CCSCc1ccccn1 62a_100000721315_200000047223 [0,2,0,0,0,0|0,0,2]=4 20806 B13R1.28 OCC#CCSCc1ccccn1 62a_200000047223_100000721315 [0,2,0,0,0,0|0,0,2]=4 20807 B13R1.28 OCCCCCNc1ccccc1 34a_100000106764_100000746330 [0,2,0,0,0,0|1,0,0]=3 20808 B13R1.28 OCCCCCNc1cccnn1 27a_100000762737_100016991348 [0,2,0,0,0,0|1,0,0]=3 20809 B13R1.28 OCCCCCNc1ccncn1 27a_100000762737_100000703185 [0,2,0,0,0,0|1,0,0]=3 20810 B13R1.28 OCCCCCNc1cnccn1 27a_100000762737_100000211759 [0,2,0,0,0,0|1,0,0]=3 20811 B13R1.28 OCCCCCNc1ncccn1 27a_100000762737_100000211032 [0,2,0,0,0,0|1,0,0]=3 20812 B13R1.28 OCCCCCOc1ccccc1 34a_100000210340_100000746330 [0,2,0,0,0,0|1,0,0]=3 20813 B13R1.28 OCCCCCOc1ccccc1 7a_100000210340_100000746330 [0,2,0,0,0,0|1,0,0]=3 20814 B13R1.28 OCCCCCOc1cccnc1 34a_100000210849_100000746330 [0,2,0,0,0,0|2,0,0]=4 20815 B13R1.28 OCCCCCOc1cccnc1 7a_100000210849_100000746330 [0,2,0,0,0,0|2,0,0]=4 20816 B13R1.28 OCCCCCOc1ccncc1 34a_100000212176_100000746330 [0,2,0,0,0,0|2,0,0]=4 20817 B13R1.28 OCCCCCSc1ccccc1 62a_100000719477_100000746330 [0,2,0,0,0,0|1,0,0]=3 20818 B13R1.28 OCCCCCSc1ccccc1 62a_100000746330_100000041952 [0,2,0,0,0,0|1,0,0]=3 20819 B13R1.28 OCCCCCSc1ccccn1 62a_100000746330_100011216584 [0,2,0,0,0,0|0,0,0]=2 20820 B13R1.28 OCCCCCSc1ccccn1 62a_100011216584_100000746330 [0,2,0,0,0,0|0,0,0]=2 20821 B13R1.28 OCCCCCSc1cccnc1 62a_100000210063_100000746330 [0,2,0,0,0,0|2,0,0]=4 20822 B13R1.28 OCCCCCSc1cccnc1 62a_100000746330_100000210063 [0,2,0,0,0,0|2,0,0]=4 20823 B13R1.28 OCCCCCSc1cccnn1 62a_100000746330_100016991348 [0,2,0,0,0,0|1,0,0]=3 20824 B13R1.28 OCCCCCSc1cccnn1 62a_100016991348_100000746330 [0,2,0,0,0,0|1,0,0]=3 20825 B13R1.28 OCCCCCSc1ccncc1 62a_100000728582_100000746330 [0,2,0,0,0,0|2,0,0]=4 20826 B13R1.28 OCCCCCSc1ccncc1 62a_100000746330_100000728582 [0,2,0,0,0,0|2,0,0]=4 20827 B13R1.28 OCCCCCSc1ccncn1 62a_100000703185_100000746330 [0,2,0,0,0,0|1,0,0]=3 20828 B13R1.28 OCCCCCSc1ccncn1 62a_100000746330_100000703185 [0,2,0,0,0,0|1,0,0]=3 20829 B13R1.28 OCCCCCSc1cnccn1 62a_100000211759_100000746330 [0,2,0,0,0,0|1,0,0]=3 20830 B13R1.28 OCCCCCSc1cnccn1 62a_100000746330_100000211759 [0,2,0,0,0,0|1,0,0]=3 20831 B13R1.28 OCCCCCSc1ncccn1 62a_100000211032_100000746330 [0,2,0,0,0,0|1,0,0]=3 20832 B13R1.28 OCCCCCSc1ncccn1 62a_100000746330_100000211032 [0,2,0,0,0,0|1,0,0]=3 20833 B13R1.28 OCCCCNCc1ccccc1 207a_100000750430_100015611070 [0,2,0,0,0,0|1,0,0]=3 20834 B13R1.28 OCCCCNCc1ccccc1 2230a_100000750430_100015291786 [0,2,0,0,0,0|1,0,0]=3 20835 B13R1.28 OCCCCNCc1ccccc1 2230a_100015324214_100000210776 [0,2,0,0,0,0|1,0,0]=3 20836 B13R1.28 OCCCCNCc1ccccc1 270004a_100000750430_100015611070 [0,2,0,0,0,0|1,0,0]=3 20837 B13R1.28 OCCCCNCc1ccccc1 34a_100000750430_100015291786 [0,2,0,0,0,0|1,0,0]=3 20838 B13R1.28 OCCCCNCc1ccccc1 34a_100015324214_100011216708 [0,2,0,0,0,0|1,0,0]=3 20839 B13R1.28 OCCCCNCc1ccccn1 207a_100000750430_100000209966 [0,2,0,0,0,0|0,0,0]=2 20840 B13R1.28 OCCCCNCc1ccccn1 2230a_100000750430_100000721315 [0,2,0,0,0,0|0,0,0]=2 20841 B13R1.28 OCCCCNCc1ccccn1 270004a_100000750430_100000209966 [0,2,0,0,0,0|0,0,0]=2 20842 B13R1.28 OCCCCNCc1ccccn1 34a_100000750430_100000721315 [0,2,0,0,0,0|0,0,0]=2 20843 B13R1.28 OCCCCNCc1cccnc1 207a_100000750430_100000209961 [0,2,0,0,0,0|2,0,0]=4 20844 B13R1.28 OCCCCNCc1cccnc1 2230a_100000750430_100000741622 [0,2,0,0,0,0|2,0,0]=4 20845 B13R1.28 OCCCCNCc1cccnc1 270004a_100000750430_100000209961 [0,2,0,0,0,0|2,0,0]=4 20846 B13R1.28 OCCCCNCc1cccnc1 34a_100000750430_100000733263 [0,2,0,0,0,0|2,0,0]=4 20847 B13R1.28 OCCCCNCc1cccnn1 2230a_100000750430_100016990269 [0,2,0,0,0,0|1,0,0]=3 20848 B13R1.28 OCCCCNCc1cccnn1 2230a_100159270163_100000210776 [0,2,0,0,0,0|1,0,0]=3 20849 B13R1.28 OCCCCNCc1cccnn1 34a_100000750430_100016990269 [0,2,0,0,0,0|1,0,0]=3 20850 B13R1.28 OCCCCNCc1ccncc1 207a_100000750430_100000186114 [0,2,0,0,0,0|2,0,0]=4 20851 B13R1.28 OCCCCNCc1ccncc1 2230a_100000750430_100015193705 [0,2,0,0,0,0|2,0,0]=4 20852 B13R1.28 OCCCCNCc1cnccn1 2230a_100000750430_100016995436 [0,2,0,0,0,0|1,0,0]=3 20853 B13R1.28 OCCCCNCc1cnccn1 270004a_100000750430_100000749867 [0,2,0,0,0,0|1,0,0]=3 20854 B13R1.28 OCCCCNCc1cnccn1 34a_100000750430_100016995436 [0,2,0,0,0,0|1,0,0]=3 20855 B13R1.28 OCCCCNCc1ncccn1 2230a_100000750430_100000703007 [0,2,0,0,0,0|1,0,0]=3 20856 B13R1.28 OCCCCNCc1ncccn1 270004a_100000750430_100011532527 [0,2,0,0,0,0|1,0,0]=3 20857 B13R1.28 OCCCCNCc1ncccn1 34a_100000750430_100000703007 [0,2,0,0,0,0|1,0,0]=3 20858 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [0,2,0,0,0,0|1,0,0]=3 20859 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [0,2,0,0,0,0|1,0,0]=3 20860 B13R1.28 OCCCCSCc1ccccc1 62a_100000210776_100015291786 [0,2,0,0,0,0|1,0,0]=3 20861 B13R1.28 OCCCCSCc1ccccc1 62a_100000211182_100000210776 [0,2,0,0,0,0|1,0,0]=3 20862 B13R1.28 OCCCCSCc1ccccn1 62a_100000210776_100000721315 [0,2,0,0,0,0|0,0,0]=2 20863 B13R1.28 OCCCCSCc1ccccn1 62a_100000721315_100000210776 [0,2,0,0,0,0|0,0,0]=2 20864 B13R1.28 OCCCCSCc1cccnc1 62a_100000210776_100000741622 [0,2,0,0,0,0|2,0,0]=4 20865 B13R1.28 OCCCCSCc1cccnc1 62a_100000741622_100000210776 [0,2,0,0,0,0|2,0,0]=4 20866 B13R1.28 OCCCCSCc1cccnn1 62a_100000210776_100016990269 [0,2,0,0,0,0|1,0,0]=3 20867 B13R1.28 OCCCCSCc1cccnn1 62a_100016990269_100000210776 [0,2,0,0,0,0|1,0,0]=3 20868 B13R1.28 OCCCCSCc1ccncc1 62a_100000210776_100015193705 [0,2,0,0,0,0|2,0,0]=4 20869 B13R1.28 OCCCCSCc1ccncc1 62a_100015193705_100000210776 [0,2,0,0,0,0|2,0,0]=4 20870 B13R1.28 OCCCCSCc1cnccn1 62a_100000210776_100016995436 [0,2,0,0,0,0|1,0,0]=3 20871 B13R1.28 OCCCCSCc1cnccn1 62a_100016995436_100000210776 [0,2,0,0,0,0|1,0,0]=3 20872 B13R1.28 OCCCCSCc1ncccn1 62a_100000210776_100000703007 [0,2,0,0,0,0|1,0,0]=3 20873 B13R1.28 OCCCCSCc1ncccn1 62a_100000703007_100000210776 [0,2,0,0,0,0|1,0,0]=3 20874 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [0,2,0,0,0,0|1,0,0]=3 20875 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [0,2,0,0,0,0|1,0,0]=3 20876 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [0,2,0,0,0,0|2,0,0]=4 20877 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [0,2,0,0,0,0|1,0,0]=3 20878 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [0,2,0,0,0,0|1,0,0]=3 20879 B13R1.28 OCCCOCCc1ccccn1 34a_100000210271_100000230001 [0,2,0,0,0,0|0,0,0]=2 20880 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [0,2,0,0,0,0|2,0,0]=4 20881 B13R1.28 OCCCOCCc1ccncc1 34a_100011216225_100000230001 [0,2,0,0,0,0|2,0,0]=4 20882 B13R1.28 OCCCOCCc1cnccn1 34a_100011349526_100000230001 [0,2,0,0,0,0|1,0,0]=3 20883 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [0,2,0,0,0,0|1,0,0]=3 20884 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [0,2,0,0,0,0|1,0,0]=3 20885 B13R1.28 OCCCSCCc1ccccn1 62a_100011215043_100015183660 [0,2,0,0,0,0|0,0,0]=2 20886 B13R1.28 OCCCSCCc1ccccn1 62a_100015183660_100011215043 [0,2,0,0,0,0|0,0,0]=2 20887 B13R1.28 OCCCSCCc1cccnc1 62a_100011215043_200011713674 [0,2,0,0,0,0|2,0,0]=4 20888 B13R1.28 OCCCSCCc1cccnc1 62a_200011713674_100011215043 [0,2,0,0,0,0|2,0,0]=4 20889 B13R1.28 OCCCSCCc1ccncc1 62a_100000723409_100011215043 [0,2,0,0,0,0|2,0,0]=4 20890 B13R1.28 OCCCSCCc1ccncc1 62a_100011215043_100000723409 [0,2,0,0,0,0|2,0,0]=4 20891 B13R1.28 OCCCSCSc1ccccc1 62a_100011215043_100011218342 [0,2,0,0,0,0|2,0,0]=4 20892 B13R1.28 OCCCSCSc1ccccc1 62a_100011218342_100011215043 [0,2,0,0,0,0|2,0,0]=4 20893 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [0,2,0,0,0,0|1,0,0]=3 20894 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [0,2,0,0,0,0|1,0,0]=3 20895 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [0,2,0,0,0,0|1,0,0]=3 20896 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [0,2,0,0,0,0|1,0,0]=3 20897 B13R1.28 OCCNCCCc1cccnc1 2230a_100011532358_100000211926 [0,2,0,0,0,0|2,0,0]=4 20898 B13R1.28 OCCNCCCc1cccnc1 34a_100011532358_100000211926 [0,2,0,0,0,0|2,0,0]=4 20899 B13R1.28 OCCNCCCc1ccncc1 2230a_100011275580_100000211926 [0,2,0,0,0,0|2,0,0]=4 20900 B13R1.28 OCCNCCOc1ccccc1 2230a_100000174943_100000211926 [0,2,0,0,0,0|2,0,0]=4 20901 B13R1.28 OCCNCCOc1ccccc1 2230a_100016997473_100000184471 [0,2,0,0,0,0|2,0,0]=4 20902 B13R1.28 OCCNCCOc1ccccc1 270004a_100000210304_100000758736 [0,2,0,0,0,0|2,0,0]=4 20903 B13R1.28 OCCNCCOc1ccccc1 34a_100000174943_100000211926 [0,2,0,0,0,0|2,0,0]=4 20904 B13R1.28 OCCNCCOc1ccccc1 34a_100016990907_100000184471 [0,2,0,0,0,0|2,0,0]=4 20905 B13R1.28 OCCNCCOc1ccccn1 2230a_106741647558_100000211926 [0,2,0,0,0,0|1,0,0]=3 20906 B13R1.28 OCCNCCSc1ccccc1 2230a_100000189519_100000211926 [0,2,0,0,0,0|2,0,0]=4 20907 B13R1.28 OCCNCCSc1ccccc1 2230a_100016997473_100000246102 [0,2,0,0,0,0|2,0,0]=4 20908 B13R1.28 OCCNCCSc1ccccc1 34a_100016990907_100000246102 [0,2,0,0,0,0|2,0,0]=4 20909 B13R1.28 OCCNCOCc1ccccc1 2230a_100016997473_100000763385 [0,2,0,0,0,0|2,0,0]=4 20910 B13R1.28 OCCNCOCc1ccccc1 34a_100016990907_100000763385 [0,2,0,0,0,0|2,0,0]=4 20911 B13R1.28 OCCNCSCc1ccccc1 2230a_100016997473_200011217039 [0,2,0,0,0,0|2,0,0]=4 20912 B13R1.28 OCCNCSCc1ccccc1 34a_100016990907_200011217039 [0,2,0,0,0,0|2,0,0]=4 20913 B13R1.28 OCCOCC#Cc1ccccn1 34a_100011894333_100000211926 [0,2,0,0,0,0|0,0,2]=4 20914 B13R1.28 OCCOCCCC1=CCC=CC1 34a_100020667889_100000211926 [0,2,0,0,0,0|1,0,1]=4 20915 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [0,2,0,0,0,0|1,0,0]=3 20916 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [0,2,0,0,0,0|1,0,0]=3 20917 B13R1.28 OCCOCCCc1ccccn1 34a_100011215068_100000211926 [0,2,0,0,0,0|0,0,0]=2 20918 B13R1.28 OCCOCCCc1cccnc1 34a_100000211284_100000211926 [0,2,0,0,0,0|2,0,0]=4 20919 B13R1.28 OCCOCCCc1ccncc1 34a_100000210659_100000211926 [0,2,0,0,0,0|2,0,0]=4 20920 B13R1.28 OCCOCCNc1ccccc1 34a_100000106764_100000692535 [0,2,0,0,0,0|2,0,0]=4 20921 B13R1.28 OCCOCCNc1ccccc1 34a_100000211345_100000211926 [0,2,0,0,0,0|2,0,0]=4 20922 B13R1.28 OCCOCCNc1cccnn1 27a_100000211614_100016991348 [0,2,0,0,0,0|2,0,0]=4 20923 B13R1.28 OCCOCCNc1ccncn1 27a_100000211614_100000703185 [0,2,0,0,0,0|2,0,0]=4 20924 B13R1.28 OCCOCCNc1cnccn1 27a_100000211614_100000211759 [0,2,0,0,0,0|2,0,0]=4 20925 B13R1.28 OCCOCCNc1ncccn1 27a_100000211614_100000211032 [0,2,0,0,0,0|2,0,0]=4 20926 B13R1.28 OCCOCCOc1ccccc1 34a_100000210260_100000211926 [0,2,0,0,0,0|2,0,0]=4 20927 B13R1.28 OCCOCCOc1ccccc1 34a_100000210340_100000692535 [0,2,0,0,0,0|2,0,0]=4 20928 B13R1.28 OCCOCCOc1ccccc1 7a_100000210260_100000211926 [0,2,0,0,0,0|2,0,0]=4 20929 B13R1.28 OCCOCCOc1ccccc1 7a_100000210340_100011215305 [0,2,0,0,0,0|2,0,0]=4 20930 B13R1.28 OCCOCCSc1ccccc1 62a_100000719477_100011215305 [0,2,0,0,0,0|2,0,0]=4 20931 B13R1.28 OCCOCCSc1ccccc1 62a_100011215305_100000041952 [0,2,0,0,0,0|2,0,0]=4 20932 B13R1.28 OCCOCCSc1ccccc1 7a_100000230494_100000211926 [0,2,0,0,0,0|2,0,0]=4 20933 B13R1.28 OCCOCCSc1ccccn1 62a_100011215305_100011216584 [0,2,0,0,0,0|1,0,0]=3 20934 B13R1.28 OCCOCCSc1ccccn1 62a_100011216584_100011215305 [0,2,0,0,0,0|1,0,0]=3 20935 B13R1.28 OCCOCCSc1ccccn1 7a_100000156319_100000211926 [0,2,0,0,0,0|1,0,0]=3 20936 B13R1.28 OCCOCCSc1cccnn1 62a_100011215305_100016991348 [0,2,0,0,0,0|2,0,0]=4 20937 B13R1.28 OCCOCCSc1cccnn1 62a_100016991348_100011215305 [0,2,0,0,0,0|2,0,0]=4 20938 B13R1.28 OCCOCCSc1ccncn1 62a_100000703185_100011215305 [0,2,0,0,0,0|2,0,0]=4 20939 B13R1.28 OCCOCCSc1ccncn1 62a_100011215305_100000703185 [0,2,0,0,0,0|2,0,0]=4 20940 B13R1.28 OCCOCCSc1cnccn1 62a_100000211759_100011215305 [0,2,0,0,0,0|2,0,0]=4 20941 B13R1.28 OCCOCCSc1cnccn1 62a_100011215305_100000211759 [0,2,0,0,0,0|2,0,0]=4 20942 B13R1.28 OCCOCCSc1ncccn1 62a_100000211032_100011215305 [0,2,0,0,0,0|2,0,0]=4 20943 B13R1.28 OCCOCCSc1ncccn1 62a_100011215305_100000211032 [0,2,0,0,0,0|2,0,0]=4 20944 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [0,2,0,0,0,0|1,0,0]=3 20945 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [0,2,0,0,0,0|1,0,0]=3 20946 B13R1.28 OCCSCCNc1cccnn1 27a_100011219999_100016991348 [0,2,0,0,0,0|2,0,0]=4 20947 B13R1.28 OCCSCCNc1ccncn1 27a_100011219999_100000703185 [0,2,0,0,0,0|2,0,0]=4 20948 B13R1.28 OCCSCCNc1cnccn1 27a_100011219999_100000211759 [0,2,0,0,0,0|2,0,0]=4 20949 B13R1.28 OCCSCCNc1ncccn1 27a_100011219999_100000211032 [0,2,0,0,0,0|2,0,0]=4 20950 B13R1.28 OCCSCCOc1ccccc1 62a_100000184471_100000211926 [0,2,0,0,0,0|2,0,0]=4 20951 B13R1.28 OCCSCCOc1ccccc1 62a_100000211926_100000184471 [0,2,0,0,0,0|2,0,0]=4 20952 B13R1.28 OCCSCCSc1ccccc1 62a_100000211926_100000246102 [0,2,0,0,0,0|2,0,0]=4 20953 B13R1.28 OCCSCCSc1ccccc1 62a_100000246102_100000211926 [0,2,0,0,0,0|2,0,0]=4 20954 B13R1.28 OCCSCOCc1ccccc1 62a_100000211926_100000763385 [0,2,0,0,0,0|2,0,0]=4 20955 B13R1.28 OCCSCOCc1ccccc1 62a_100000763385_100000211926 [0,2,0,0,0,0|2,0,0]=4 20956 B13R1.28 OCCSCSCc1ccccc1 62a_100000211926_200011217039 [0,2,0,0,0,0|2,0,0]=4 20957 B13R1.28 OCCSCSCc1ccccc1 62a_200011217039_100000211926 [0,2,0,0,0,0|2,0,0]=4 20958 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,2,0,0,0,0|1,0,0]=3 20959 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,2,0,0,0,0|1,0,0]=3 20960 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [0,2,0,0,0,0|1,0,0]=3 20961 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [0,2,0,0,0,0|1,0,0]=3 20962 B13R1.28 [13CH3]OCCCC#Cc1ccccc1 34a_100011217234_200025704644 [0,2,0,0,0,0|1,0,1]=4 20963 B13R1.28 [13CH3]OCCCC#Cc1ccccc1 7a_100011217234_200025704644 [0,2,0,0,0,0|1,0,1]=4 20964 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [0,2,0,0,0,0|1,0,0]=3 20965 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [0,2,0,0,0,0|1,0,0]=3 20966 B13R1.28 [13CH3]OCCCCOc1ccccc1 34a_100000752354_200025704644 [0,2,0,0,0,0|1,0,0]=3 20967 B13R1.28 [13CH3]OCCCCOc1ccccc1 7a_100000752354_200025704644 [0,2,0,0,0,0|1,0,0]=3 20968 B13R1.28 [13CH3]OCCCNCc1ccccc1 34a_100000185501_200025704644 [0,2,0,0,0,0|1,0,0]=3 20969 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [0,2,0,0,0,0|1,0,0]=3 20970 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [0,2,0,0,0,0|1,0,0]=3 20971 B13R1.28 [13CH3]OCCSCCc1ccccn1 34a_100011362645_200025704644 [0,2,0,0,0,0|0,0,0]=2 20972 B13R1.28 [13CH3]OCCSCCc1ccccn1 7a_100011362645_200025704644 [0,2,0,0,0,0|0,0,0]=2 20973 B13R1.28 [13CH3]OCCSCCc1ccncc1 34a_200011193335_200025704644 [0,2,0,0,0,0|2,0,0]=4 20974 B13R1.28 [13CH3]OCCSCCc1ccncc1 7a_200011193335_200025704644 [0,2,0,0,0,0|2,0,0]=4 20975 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [0,2,0,0,0,0|1,0,0]=3 20976 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [0,2,0,0,0,0|1,0,0]=3 20977 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_100011215240_200025704644 [0,2,0,0,0,0|1,0,0]=3 20978 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_200025704644_100011215240 [0,2,0,0,0,0|1,0,0]=3 20979 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [0,2,0,0,0,0|1,0,0]=3 20980 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [0,2,0,0,0,0|1,0,0]=3 20981 B13R1.42 C#CCC(=O)CCc1ccccn1 1458a_100011220946_100015183660 [0,2,0,0,0,0|0,0,2]=4 20982 B13R1.42 C#CCC(=O)CCc1ccccn1 1458a_100015195070_100000184674 [0,2,0,0,0,0|0,0,2]=4 20983 B13R1.42 C#CCC(C)OCc1ccccn1 34a_100000685586_100000721315 [0,2,0,0,0,0|0,0,2]=4 20984 B13R1.42 C#CCC(C)OCc1ccccn1 7a_100000685586_100000721315 [0,2,0,0,0,0|0,0,2]=4 20985 B13R1.42 C#CCN(C)CCc1ccccn1 2230a_100000225692_100015183660 [0,2,0,0,0,0|0,0,2]=4 20986 B13R1.42 C#CCN(C)CCc1ccccn1 2230a_100000737206_100000038162 [0,2,0,0,0,0|0,0,2]=4 20987 B13R1.42 C/C=C/C(C)OCc1ccccn1 34a_200102604097_100000721315 [0,2,0,0,0,0|0,0,2]=4 20988 B13R1.42 C=CCC(=O)CCc1ccccn1 1458a_100000210193_100015183660 [0,2,0,0,0,0|0,0,2]=4 20989 B13R1.42 C=CCC(=O)CCc1ccccn1 1458a_100015195070_100000210623 [0,2,0,0,0,0|0,0,2]=4 20990 B13R1.42 C=CCN(C)CCc1ccccn1 2230a_100000225617_100015183660 [0,2,0,0,0,0|0,0,2]=4 20991 B13R1.42 C=CCN(C)CCc1ccccn1 2230a_100000737206_100000210623 [0,2,0,0,0,0|0,0,2]=4 20992 B13R1.42 C=CCN(C)CCc1ccccn1 269982a_100000225617_100015183660 [0,2,0,0,0,0|0,0,2]=4 20993 B13R1.42 C=CCN(C)CCc1ccccn1 269982a_100000737206_100000210623 [0,2,0,0,0,0|0,0,2]=4 20994 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 34a_100000731007_100000721315 [0,2,0,0,0,0|0,0,2]=4 20995 B13R1.42 C=CC[C@@H](C)OCc1ccccn1 7a_100000731007_100000721315 [0,2,0,0,0,0|0,0,2]=4 20996 B13R1.42 CC#CC(=O)CCc1ccccn1 1458a_100000763181_100015183660 [0,2,0,0,0,0|0,0,2]=4 20997 B13R1.42 CC#CC(C)OCc1ccccn1 34a_100011216543_100000721315 [0,2,0,0,0,0|0,0,2]=4 20998 B13R1.42 CC(CC#N)SCc1ccccn1 62a_100000721315_100009813641 [0,2,0,0,0,0|1,0,1]=4 20999 B13R1.42 CC(CC#N)SCc1ccccn1 62a_100009813641_100000721315 [0,2,0,0,0,0|1,0,1]=4 21000 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,2,0,0,0,0|2,0,0]=4 21001 B13R1.42 CC(CCBr)OCc1ccccn1 34a_100012276601_100000721315 [0,2,0,0,0,0|1,0,0]=3 21002 B13R1.42 CC(CCBr)OCc1cccnn1 34a_100012276601_100016990269 [0,2,0,0,0,0|2,0,0]=4 21003 B13R1.42 CC(CCBr)OCc1cnccn1 34a_100012276601_100016995436 [0,2,0,0,0,0|2,0,0]=4 21004 B13R1.42 CC(CCBr)OCc1ncccn1 34a_100012276601_100000703007 [0,2,0,0,0,0|2,0,0]=4 21005 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,2,0,0,0,0|2,0,0]=4 21006 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,2,0,0,0,0|2,0,0]=4 21007 B13R1.42 CC(CCO)NCc1cccnn1 2230a_100159270163_100009893172 [0,2,0,0,0,0|2,0,0]=4 21008 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,2,0,0,0,0|2,0,0]=4 21009 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,2,0,0,0,0|2,0,0]=4 21010 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,2,0,0,0,0|2,0,0]=4 21011 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,2,0,0,0,0|2,0,0]=4 21012 B13R1.42 CC(CCO)SCc1ccccn1 62a_100000721315_100009893172 [0,2,0,0,0,0|1,0,0]=3 21013 B13R1.42 CC(CCO)SCc1ccccn1 62a_100009893172_100000721315 [0,2,0,0,0,0|1,0,0]=3 21014 B13R1.42 CC(CCO)SCc1cccnn1 62a_100009893172_100016990269 [0,2,0,0,0,0|2,0,0]=4 21015 B13R1.42 CC(CCO)SCc1cccnn1 62a_100016990269_100009893172 [0,2,0,0,0,0|2,0,0]=4 21016 B13R1.42 CC(CCO)SCc1cnccn1 62a_100009893172_100016995436 [0,2,0,0,0,0|2,0,0]=4 21017 B13R1.42 CC(CCO)SCc1cnccn1 62a_100016995436_100009893172 [0,2,0,0,0,0|2,0,0]=4 21018 B13R1.42 CC(CCO)SCc1ncccn1 62a_100000703007_100009893172 [0,2,0,0,0,0|2,0,0]=4 21019 B13R1.42 CC(CCO)SCc1ncccn1 62a_100009893172_100000703007 [0,2,0,0,0,0|2,0,0]=4 21020 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,2,0,0,0,0|2,0,0]=4 21021 B13R1.42 CC=CC(=O)CCc1ccccn1 1458a_100000210699_100015183660 [0,2,0,0,0,0|0,0,2]=4 21022 B13R1.42 CCCC(=NNc1ccccn1)C 4a_100000183288_100000211909 [0,2,0,0,0,0|1,0,1]=4 21023 B13R1.42 CCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210303 [0,2,0,0,0,0|0,0,2]=4 21024 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [0,2,0,0,0,0|0,0,2]=4 21025 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,2,0,0,0,0|1,0,0]=3 21026 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,2,0,0,0,0|1,0,0]=3 21027 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,2,0,0,0,0|0,0,0]=2 21028 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,2,0,0,0,0|0,0,0]=2 21029 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,2,0,0,0,0|2,0,0]=4 21030 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,2,0,0,0,0|2,0,0]=4 21031 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [0,2,0,0,0,0|2,0,0]=4 21032 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [0,2,0,0,0,0|2,0,0]=4 21033 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,2,0,0,0,0|1,0,1]=4 21034 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,2,0,0,0,0|1,0,1]=4 21035 B13R1.42 CCCC(=O)COc1ccccn1 1458a_100102699861_100000210303 [0,2,0,0,0,0|0,0,1]=3 21036 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,2,0,0,0,0|1,0,1]=4 21037 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,2,0,0,0,0|1,0,1]=4 21038 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,2,0,0,0,0|1,0,1]=4 21039 B13R1.42 CCCC(=O)CSc1ccccn1 1458a_100000156281_100000210303 [0,2,0,0,0,0|0,0,1]=3 21040 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100000747444_100011216584 [0,2,0,0,0,0|0,0,1]=3 21041 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100011216584_100000747444 [0,2,0,0,0,0|0,0,1]=3 21042 B13R1.42 CCCC(=O)CSc1cccnn1 62a_100000747444_100016991348 [0,2,0,0,0,0|1,0,1]=4 21043 B13R1.42 CCCC(=O)CSc1cccnn1 62a_100016991348_100000747444 [0,2,0,0,0,0|1,0,1]=4 21044 B13R1.42 CCCC(=O)CSc1ccncn1 62a_100000703185_100000747444 [0,2,0,0,0,0|1,0,1]=4 21045 B13R1.42 CCCC(=O)CSc1ccncn1 62a_100000747444_100000703185 [0,2,0,0,0,0|1,0,1]=4 21046 B13R1.42 CCCC(=O)CSc1cnccn1 62a_100000211759_100000747444 [0,2,0,0,0,0|1,0,1]=4 21047 B13R1.42 CCCC(=O)CSc1cnccn1 62a_100000747444_100000211759 [0,2,0,0,0,0|1,0,1]=4 21048 B13R1.42 CCCC(=O)CSc1ncccn1 62a_100000211032_100000747444 [0,2,0,0,0,0|1,0,1]=4 21049 B13R1.42 CCCC(=O)CSc1ncccn1 62a_100000747444_100000211032 [0,2,0,0,0,0|1,0,1]=4 21050 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,2,0,0,0,0|1,0,1]=4 21051 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,2,0,0,0,0|1,0,1]=4 21052 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,2,0,0,0,0|1,0,1]=4 21053 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,2,0,0,0,0|1,0,1]=4 21054 B13R1.42 CCCC(=O)NCc1ccccn1 11a_100000210449_100000211992 [0,2,0,0,0,0|0,0,1]=3 21055 B13R1.42 CCCC(=O)NCc1ccccn1 1626a_100000210449_100000211992 [0,2,0,0,0,0|0,0,1]=3 21056 B13R1.42 CCCC(=O)NCc1ccccn1 240690a_100000210449_100000211992 [0,2,0,0,0,0|0,0,1]=3 21057 B13R1.42 CCCC(=O)NCc1ccccn1 527a_100000210449_100000211992 [0,2,0,0,0,0|0,0,1]=3 21058 B13R1.42 CCCC(=O)NCc1cccnn1 11a_100159270163_100000211992 [0,2,0,0,0,0|1,0,1]=4 21059 B13R1.42 CCCC(=O)NCc1cccnn1 240690a_100159270163_100000211992 [0,2,0,0,0,0|1,0,1]=4 21060 B13R1.42 CCCC(=O)NCc1cccnn1 527a_100159270163_100000211992 [0,2,0,0,0,0|1,0,1]=4 21061 B13R1.42 CCCC(=O)NCc1ccncn1 11a_100000736019_100000211992 [0,2,0,0,0,0|1,0,1]=4 21062 B13R1.42 CCCC(=O)NCc1ccncn1 240690a_100000736019_100000211992 [0,2,0,0,0,0|1,0,1]=4 21063 B13R1.42 CCCC(=O)NCc1ccncn1 527a_100000736019_100000211992 [0,2,0,0,0,0|1,0,1]=4 21064 B13R1.42 CCCC(=O)NCc1cnccn1 11a_100000737960_100000211992 [0,2,0,0,0,0|1,0,1]=4 21065 B13R1.42 CCCC(=O)NCc1cnccn1 240690a_100000737960_100000211992 [0,2,0,0,0,0|1,0,1]=4 21066 B13R1.42 CCCC(=O)NCc1cnccn1 527a_100000737960_100000211992 [0,2,0,0,0,0|1,0,1]=4 21067 B13R1.42 CCCC(=O)NCc1ncccn1 11a_100015189908_100000211992 [0,2,0,0,0,0|1,0,1]=4 21068 B13R1.42 CCCC(=O)NCc1ncccn1 240690a_100015189908_100000211992 [0,2,0,0,0,0|1,0,1]=4 21069 B13R1.42 CCCC(=O)NCc1ncccn1 527a_100015189908_100000211992 [0,2,0,0,0,0|1,0,1]=4 21070 B13R1.42 CCCC(=O)NNc1ccccn1 22a_100000183288_100000211992 [0,2,0,0,0,0|1,0,1]=4 21071 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,2,0,0,0,0|1,0,0]=3 21072 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,2,0,0,0,0|1,0,0]=3 21073 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,2,0,0,0,0|1,0,0]=3 21074 B13R1.42 CCCC(C)COc1cccnc1 34a_100000210849_100011216630 [0,2,0,0,0,0|2,0,0]=4 21075 B13R1.42 CCCC(C)COc1cccnc1 7a_100000210849_100011216630 [0,2,0,0,0,0|2,0,0]=4 21076 B13R1.42 CCCC(C)COc1ccncc1 34a_100000212176_100011216630 [0,2,0,0,0,0|2,0,0]=4 21077 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,2,0,0,0,0|1,0,0]=3 21078 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,2,0,0,0,0|1,0,0]=3 21079 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216584_100011216630 [0,2,0,0,0,0|0,0,0]=2 21080 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216630_100011216584 [0,2,0,0,0,0|0,0,0]=2 21081 B13R1.42 CCCC(C)CSc1cccnc1 62a_100000210063_100011216630 [0,2,0,0,0,0|2,0,0]=4 21082 B13R1.42 CCCC(C)CSc1cccnc1 62a_100011216630_100000210063 [0,2,0,0,0,0|2,0,0]=4 21083 B13R1.42 CCCC(C)CSc1cccnn1 62a_100011216630_100016991348 [0,2,0,0,0,0|1,0,0]=3 21084 B13R1.42 CCCC(C)CSc1cccnn1 62a_100016991348_100011216630 [0,2,0,0,0,0|1,0,0]=3 21085 B13R1.42 CCCC(C)CSc1ccncc1 62a_100000728582_100011216630 [0,2,0,0,0,0|2,0,0]=4 21086 B13R1.42 CCCC(C)CSc1ccncc1 62a_100011216630_100000728582 [0,2,0,0,0,0|2,0,0]=4 21087 B13R1.42 CCCC(C)CSc1ccncn1 62a_100000703185_100011216630 [0,2,0,0,0,0|1,0,0]=3 21088 B13R1.42 CCCC(C)CSc1ccncn1 62a_100011216630_100000703185 [0,2,0,0,0,0|1,0,0]=3 21089 B13R1.42 CCCC(C)CSc1cnccn1 62a_100000211759_100011216630 [0,2,0,0,0,0|1,0,0]=3 21090 B13R1.42 CCCC(C)CSc1cnccn1 62a_100011216630_100000211759 [0,2,0,0,0,0|1,0,0]=3 21091 B13R1.42 CCCC(C)CSc1ncccn1 62a_100000211032_100011216630 [0,2,0,0,0,0|1,0,0]=3 21092 B13R1.42 CCCC(C)CSc1ncccn1 62a_100011216630_100000211032 [0,2,0,0,0,0|1,0,0]=3 21093 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,2,0,0,0,0|1,0,0]=3 21094 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,2,0,0,0,0|1,0,0]=3 21095 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,2,0,0,0,0|1,0,0]=3 21096 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,2,0,0,0,0|1,0,0]=3 21097 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,2,0,0,0,0|1,0,0]=3 21098 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,2,0,0,0,0|1,0,0]=3 21099 B13R1.42 CCCC(C)NCc1ccccn1 207a_100000741246_100000209966 [0,2,0,0,0,0|0,0,0]=2 21100 B13R1.42 CCCC(C)NCc1ccccn1 2230a_100000741246_100000721315 [0,2,0,0,0,0|0,0,0]=2 21101 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000210449_100000211909 [0,2,0,0,0,0|0,0,0]=2 21102 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000741246_100000209966 [0,2,0,0,0,0|0,0,0]=2 21103 B13R1.42 CCCC(C)NCc1cccnc1 207a_100000741246_100000209961 [0,2,0,0,0,0|2,0,0]=4 21104 B13R1.42 CCCC(C)NCc1cccnc1 2230a_100000741246_100000741622 [0,2,0,0,0,0|2,0,0]=4 21105 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000210453_100000211909 [0,2,0,0,0,0|2,0,0]=4 21106 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000741246_100000209961 [0,2,0,0,0,0|2,0,0]=4 21107 B13R1.42 CCCC(C)NCc1cccnn1 2230a_100000741246_100016990269 [0,2,0,0,0,0|1,0,0]=3 21108 B13R1.42 CCCC(C)NCc1cccnn1 2230a_100159270163_100000766640 [0,2,0,0,0,0|1,0,0]=3 21109 B13R1.42 CCCC(C)NCc1ccncc1 207a_100000741246_100000186114 [0,2,0,0,0,0|2,0,0]=4 21110 B13R1.42 CCCC(C)NCc1ccncc1 2230a_100000741246_100015193705 [0,2,0,0,0,0|2,0,0]=4 21111 B13R1.42 CCCC(C)NCc1cnccn1 2230a_100000741246_100016995436 [0,2,0,0,0,0|1,0,0]=3 21112 B13R1.42 CCCC(C)NCc1cnccn1 270004a_100000741246_100000749867 [0,2,0,0,0,0|1,0,0]=3 21113 B13R1.42 CCCC(C)NCc1ncccn1 2230a_100000741246_100000703007 [0,2,0,0,0,0|1,0,0]=3 21114 B13R1.42 CCCC(C)NCc1ncccn1 270004a_100000741246_100011532527 [0,2,0,0,0,0|1,0,0]=3 21115 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,2,0,0,0,0|1,0,0]=3 21116 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,2,0,0,0,0|1,0,0]=3 21117 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,2,0,0,0,0|1,0,0]=3 21118 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,2,0,0,0,0|1,0,0]=3 21119 B13R1.42 CCCC(C)OCc1ccccn1 34a_100000764384_100000721315 [0,2,0,0,0,0|0,0,0]=2 21120 B13R1.42 CCCC(C)OCc1ccccn1 7a_100000764384_100000721315 [0,2,0,0,0,0|0,0,0]=2 21121 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [0,2,0,0,0,0|2,0,0]=4 21122 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [0,2,0,0,0,0|2,0,0]=4 21123 B13R1.42 CCCC(C)OCc1cccnn1 34a_100000764384_100016990269 [0,2,0,0,0,0|1,0,0]=3 21124 B13R1.42 CCCC(C)OCc1cccnn1 7a_100000764384_100016990269 [0,2,0,0,0,0|1,0,0]=3 21125 B13R1.42 CCCC(C)OCc1ccncc1 7a_100000764384_100015193705 [0,2,0,0,0,0|2,0,0]=4 21126 B13R1.42 CCCC(C)OCc1cnccn1 34a_100000764384_100016995436 [0,2,0,0,0,0|1,0,0]=3 21127 B13R1.42 CCCC(C)OCc1cnccn1 7a_100000764384_100016995436 [0,2,0,0,0,0|1,0,0]=3 21128 B13R1.42 CCCC(C)OCc1ncccn1 34a_100000764384_100000703007 [0,2,0,0,0,0|1,0,0]=3 21129 B13R1.42 CCCC(C)OCc1ncccn1 7a_100000764384_100000703007 [0,2,0,0,0,0|1,0,0]=3 21130 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,2,0,0,0,0|1,0,0]=3 21131 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,2,0,0,0,0|1,0,0]=3 21132 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000721315_100000766640 [0,2,0,0,0,0|0,0,0]=2 21133 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000766640_100000721315 [0,2,0,0,0,0|0,0,0]=2 21134 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000741622_100000766640 [0,2,0,0,0,0|2,0,0]=4 21135 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000766640_100000741622 [0,2,0,0,0,0|2,0,0]=4 21136 B13R1.42 CCCC(C)SCc1cccnn1 62a_100000766640_100016990269 [0,2,0,0,0,0|1,0,0]=3 21137 B13R1.42 CCCC(C)SCc1cccnn1 62a_100016990269_100000766640 [0,2,0,0,0,0|1,0,0]=3 21138 B13R1.42 CCCC(C)SCc1ccncc1 62a_100000766640_100015193705 [0,2,0,0,0,0|2,0,0]=4 21139 B13R1.42 CCCC(C)SCc1ccncc1 62a_100015193705_100000766640 [0,2,0,0,0,0|2,0,0]=4 21140 B13R1.42 CCCC(C)SCc1cnccn1 62a_100000766640_100016995436 [0,2,0,0,0,0|1,0,0]=3 21141 B13R1.42 CCCC(C)SCc1cnccn1 62a_100016995436_100000766640 [0,2,0,0,0,0|1,0,0]=3 21142 B13R1.42 CCCC(C)SCc1ncccn1 62a_100000703007_100000766640 [0,2,0,0,0,0|1,0,0]=3 21143 B13R1.42 CCCC(C)SCc1ncccn1 62a_100000766640_100000703007 [0,2,0,0,0,0|1,0,0]=3 21144 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,2,0,0,0,0|1,0,0]=3 21145 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,2,0,0,0,0|1,0,0]=3 21146 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,2,0,0,0,0|1,0,0]=3 21147 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,2,0,0,0,0|1,0,0]=3 21148 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000176852_200000210301 [0,2,0,0,0,0|0,0,0]=2 21149 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000737206_100000210303 [0,2,0,0,0,0|0,0,0]=2 21150 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000747261_100015183660 [0,2,0,0,0,0|0,0,0]=2 21151 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000176852_200000210301 [0,2,0,0,0,0|0,0,0]=2 21152 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000737206_100000210303 [0,2,0,0,0,0|0,0,0]=2 21153 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000747261_100015183660 [0,2,0,0,0,0|0,0,0]=2 21154 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000747261_200011713674 [0,2,0,0,0,0|2,0,0]=4 21155 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000763209_100000210303 [0,2,0,0,0,0|2,0,0]=4 21156 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000747261_200011713674 [0,2,0,0,0,0|2,0,0]=4 21157 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000763209_100000210303 [0,2,0,0,0,0|2,0,0]=4 21158 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000742850_100000210303 [0,2,0,0,0,0|2,0,0]=4 21159 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000747261_100000723409 [0,2,0,0,0,0|2,0,0]=4 21160 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000742850_100000210303 [0,2,0,0,0,0|2,0,0]=4 21161 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000747261_100000723409 [0,2,0,0,0,0|2,0,0]=4 21162 B13R1.42 CCCN(C)CSc1ccccc1 2230a_100000747261_100011218342 [0,2,0,0,0,0|2,0,0]=4 21163 B13R1.42 CCCN(C)CSc1ccccc1 269982a_100000747261_100011218342 [0,2,0,0,0,0|2,0,0]=4 21164 B13R1.42 CCCN([13CH3])CCc1ccccn1 2230a_100000176852_200025704644 [0,2,0,0,0,0|0,0,0]=2 21165 B13R1.42 CCCN([13CH3])CCc1ccccn1 269982a_100000176852_200025704644 [0,2,0,0,0,0|0,0,0]=2 21166 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,2,0,0,0,0|1,0,1]=4 21167 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,2,0,0,0,0|1,0,1]=4 21168 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,2,0,0,0,0|1,0,1]=4 21169 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [0,2,0,0,0,0|0,0,1]=3 21170 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [0,2,0,0,0,0|0,0,1]=3 21171 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [0,2,0,0,0,0|0,0,1]=3 21172 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [0,2,0,0,0,0|1,0,1]=4 21173 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [0,2,0,0,0,0|1,0,1]=4 21174 B13R1.42 CCNC(=O)CSc1ccccn1 11a_100015525214_100000156281 [0,2,0,0,0,0|1,0,1]=4 21175 B13R1.42 CCNC(=O)CSc1ccccn1 240690a_100015525214_100000156281 [0,2,0,0,0,0|1,0,1]=4 21176 B13R1.42 CCNC(=O)CSc1ccccn1 527a_100015525214_100000156281 [0,2,0,0,0,0|1,0,1]=4 21177 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100000183381_100011216584 [0,2,0,0,0,0|1,0,1]=4 21178 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100011216584_100000183381 [0,2,0,0,0,0|1,0,1]=4 21179 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100000210449_100015525214 [0,2,0,0,0,0|1,0,1]=4 21180 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100015525214_100000210449 [0,2,0,0,0,0|1,0,1]=4 21181 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100000210449_100015525214 [0,2,0,0,0,0|1,0,1]=4 21182 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100015525214_100000210449 [0,2,0,0,0,0|1,0,1]=4 21183 B13R1.42 CCNC(=O)NCc1ccccn1 512a_100015525214_100000210449 [0,2,0,0,0,0|1,0,1]=4 21184 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,2,0,0,0,0|1,0,0]=3 21185 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,2,0,0,0,0|1,0,0]=3 21186 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,2,0,0,0,0|1,0,0]=3 21187 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,2,0,0,0,0|2,0,0]=4 21188 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,2,0,0,0,0|2,0,0]=4 21189 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,2,0,0,0,0|2,0,0]=4 21190 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,2,0,0,0,0|2,0,0]=4 21191 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [0,2,0,0,0,0|1,0,1]=4 21192 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [0,2,0,0,0,0|1,0,1]=4 21193 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,2,0,0,0,0|2,0,0]=4 21194 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,2,0,0,0,0|2,0,0]=4 21195 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,2,0,0,0,0|1,0,0]=3 21196 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,2,0,0,0,0|1,0,0]=3 21197 B13R1.42 CN(CC#N)CCc1ccccn1 2230a_100000737206_100011215382 [0,2,0,0,0,0|1,0,1]=4 21198 B13R1.42 CN(CC#N)CCc1ccccn1 2230a_100000748184_100015183660 [0,2,0,0,0,0|1,0,1]=4 21199 B13R1.42 CN(CC#N)CCc1ccccn1 269982a_100000737206_100011214920 [0,2,0,0,0,0|1,0,1]=4 21200 B13R1.42 CN(CC=O)CCc1ccccn1 2230a_100000737206_200015260668 [0,2,0,0,0,0|1,0,1]=4 21201 B13R1.42 CN(CC=O)CCc1ccccn1 269982a_100000737206_200015260668 [0,2,0,0,0,0|1,0,1]=4 21202 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [0,2,0,0,0,0|2,0,0]=4 21203 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [0,2,0,0,0,0|2,0,0]=4 21204 B13R1.42 CN(CCF)CCc1ccccn1 2230a_100000737206_100011217306 [0,2,0,0,0,0|1,0,0]=3 21205 B13R1.42 CN(CCF)CCc1ccccn1 269982a_100000737206_100011217306 [0,2,0,0,0,0|1,0,0]=3 21206 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,2,0,0,0,0|2,0,0]=4 21207 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,2,0,0,0,0|2,0,0]=4 21208 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,2,0,0,0,0|2,0,0]=4 21209 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,2,0,0,0,0|2,0,0]=4 21210 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000210263_100015183660 [0,2,0,0,0,0|1,0,0]=3 21211 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000737206_100000211926 [0,2,0,0,0,0|1,0,0]=3 21212 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000210263_100015183660 [0,2,0,0,0,0|1,0,0]=3 21213 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000737206_100000211926 [0,2,0,0,0,0|1,0,0]=3 21214 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,2,0,0,0,0|1,0,1]=4 21215 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,2,0,0,0,0|1,0,1]=4 21216 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,2,0,0,0,0|1,0,1]=4 21217 B13R1.42 CNCC(=O)NCc1ccccn1 2230a_106832991635_100000684169 [0,2,0,0,0,0|1,0,1]=4 21218 B13R1.42 CNCC(=O)NCc1ccccn1 34a_100102657272_100000684169 [0,2,0,0,0,0|1,0,1]=4 21219 B13R1.42 CNCC(=O)NCc1ccccn1 7a_106832991635_100000684169 [0,2,0,0,0,0|1,0,1]=4 21220 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,2,0,0,0,0|2,0,0]=4 21221 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,2,0,0,0,0|2,0,0]=4 21222 B13R1.42 CNNC(=O)CCc1ccccn1 22a_100016993582_100015195070 [0,2,0,0,0,0|1,0,1]=4 21223 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,2,0,0,0,0|1,0,1]=4 21224 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,2,0,0,0,0|1,0,1]=4 21225 B13R1.42 COCC(=O)CCc1ccccn1 1458a_100000210968_100015183660 [0,2,0,0,0,0|0,0,1]=3 21226 B13R1.42 COCC(=O)NCc1ccccn1 11a_100000210449_100000210968 [0,2,0,0,0,0|1,0,1]=4 21227 B13R1.42 COCC(=O)NCc1ccccn1 1626a_100000210449_100000210968 [0,2,0,0,0,0|1,0,1]=4 21228 B13R1.42 COCC(=O)NCc1ccccn1 240690a_100000210449_100000210968 [0,2,0,0,0,0|1,0,1]=4 21229 B13R1.42 COCC(=O)NCc1ccccn1 34a_100138415774_100000684169 [0,2,0,0,0,0|1,0,1]=4 21230 B13R1.42 COCC(=O)NCc1ccccn1 527a_100000210449_100000210968 [0,2,0,0,0,0|1,0,1]=4 21231 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,2,0,0,0,0|2,0,0]=4 21232 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,2,0,0,0,0|2,0,0]=4 21233 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,2,0,0,0,0|2,0,0]=4 21234 B13R1.42 COCC(C)NCc1ccccn1 270004a_100000210449_100000749346 [0,2,0,0,0,0|1,0,0]=3 21235 B13R1.42 COCC(C)NCc1cccnn1 2230a_100159270163_100000765312 [0,2,0,0,0,0|2,0,0]=4 21236 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,2,0,0,0,0|2,0,0]=4 21237 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,2,0,0,0,0|2,0,0]=4 21238 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,2,0,0,0,0|2,0,0]=4 21239 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,2,0,0,0,0|2,0,0]=4 21240 B13R1.42 COCC(C)SCc1ccccn1 62a_100000721315_100000765312 [0,2,0,0,0,0|1,0,0]=3 21241 B13R1.42 COCC(C)SCc1ccccn1 62a_100000765312_100000721315 [0,2,0,0,0,0|1,0,0]=3 21242 B13R1.42 COCC(C)SCc1cccnn1 62a_100000765312_100016990269 [0,2,0,0,0,0|2,0,0]=4 21243 B13R1.42 COCC(C)SCc1cccnn1 62a_100016990269_100000765312 [0,2,0,0,0,0|2,0,0]=4 21244 B13R1.42 COCC(C)SCc1cnccn1 62a_100000765312_100016995436 [0,2,0,0,0,0|2,0,0]=4 21245 B13R1.42 COCC(C)SCc1cnccn1 62a_100016995436_100000765312 [0,2,0,0,0,0|2,0,0]=4 21246 B13R1.42 COCC(C)SCc1ncccn1 62a_100000703007_100000765312 [0,2,0,0,0,0|2,0,0]=4 21247 B13R1.42 COCC(C)SCc1ncccn1 62a_100000765312_100000703007 [0,2,0,0,0,0|2,0,0]=4 21248 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,2,0,0,0,0|2,0,0]=4 21249 B13R1.42 COCC(O)CNc1cccnn1 27a_100000756049_100016991348 [0,2,0,0,0,0|2,0,0]=4 21250 B13R1.42 COCC(O)CNc1ccncn1 27a_100000756049_100000703185 [0,2,0,0,0,0|2,0,0]=4 21251 B13R1.42 COCC(O)CNc1cnccn1 27a_100000756049_100000211759 [0,2,0,0,0,0|2,0,0]=4 21252 B13R1.42 COCC(O)CNc1ncccn1 27a_100000756049_100000211032 [0,2,0,0,0,0|2,0,0]=4 21253 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,2,0,0,0,0|2,0,0]=4 21254 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,2,0,0,0,0|2,0,0]=4 21255 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,2,0,0,0,0|2,0,0]=4 21256 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,2,0,0,0,0|2,0,0]=4 21257 B13R1.42 COCC(O)CSc1ccccn1 62a_100011215053_100011216584 [0,2,0,0,0,0|1,0,0]=3 21258 B13R1.42 COCC(O)CSc1ccccn1 62a_100011216584_100011215053 [0,2,0,0,0,0|1,0,0]=3 21259 B13R1.42 COCC(O)CSc1cccnn1 62a_100011215053_100016991348 [0,2,0,0,0,0|2,0,0]=4 21260 B13R1.42 COCC(O)CSc1cccnn1 62a_100016991348_100011215053 [0,2,0,0,0,0|2,0,0]=4 21261 B13R1.42 COCC(O)CSc1ccncn1 62a_100000703185_100011215053 [0,2,0,0,0,0|2,0,0]=4 21262 B13R1.42 COCC(O)CSc1ccncn1 62a_100011215053_100000703185 [0,2,0,0,0,0|2,0,0]=4 21263 B13R1.42 COCC(O)CSc1cnccn1 62a_100000211759_100011215053 [0,2,0,0,0,0|2,0,0]=4 21264 B13R1.42 COCC(O)CSc1cnccn1 62a_100011215053_100000211759 [0,2,0,0,0,0|2,0,0]=4 21265 B13R1.42 COCC(O)CSc1ncccn1 62a_100000211032_100011215053 [0,2,0,0,0,0|2,0,0]=4 21266 B13R1.42 COCC(O)CSc1ncccn1 62a_100011215053_100000211032 [0,2,0,0,0,0|2,0,0]=4 21267 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,2,0,0,0,0|2,0,0]=4 21268 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,2,0,0,0,0|2,0,0]=4 21269 B13R1.42 COCN(C)CCc1ccccn1 2230a_100000737206_100000766300 [0,2,0,0,0,0|1,0,0]=3 21270 B13R1.42 COCN(C)CCc1ccccn1 269982a_100000737206_100000766300 [0,2,0,0,0,0|1,0,0]=3 21271 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,2,0,0,0,0|2,0,0]=4 21272 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,2,0,0,0,0|2,0,0]=4 21273 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,2,0,0,0,0|2,0,0]=4 21274 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,2,0,0,0,0|2,0,0]=4 21275 B13R1.42 COC[C@@H](C)NCc1ccccn1 207a_100000764878_100000209966 [0,2,0,0,0,0|1,0,0]=3 21276 B13R1.42 COC[C@@H](C)NCc1ccccn1 2230a_100000764878_100000721315 [0,2,0,0,0,0|1,0,0]=3 21277 B13R1.42 COC[C@@H](C)NCc1ccccn1 270004a_100000764878_100000209966 [0,2,0,0,0,0|1,0,0]=3 21278 B13R1.42 COC[C@@H](C)NCc1cccnn1 2230a_100000764878_100016990269 [0,2,0,0,0,0|2,0,0]=4 21279 B13R1.42 COC[C@@H](C)NCc1cnccn1 2230a_100000764878_100016995436 [0,2,0,0,0,0|2,0,0]=4 21280 B13R1.42 COC[C@@H](C)NCc1cnccn1 270004a_100000764878_100000749867 [0,2,0,0,0,0|2,0,0]=4 21281 B13R1.42 COC[C@@H](C)NCc1ncccn1 2230a_100000764878_100000703007 [0,2,0,0,0,0|2,0,0]=4 21282 B13R1.42 COC[C@@H](C)NCc1ncccn1 270004a_100000764878_100011532527 [0,2,0,0,0,0|2,0,0]=4 21283 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,2,0,0,0,0|2,0,0]=4 21284 B13R1.42 COC[C@@H](C)OCc1ccccn1 34a_100011934205_100000721315 [0,2,0,0,0,0|1,0,0]=3 21285 B13R1.42 COC[C@@H](C)OCc1cccnn1 34a_100011934205_100016990269 [0,2,0,0,0,0|2,0,0]=4 21286 B13R1.42 COC[C@@H](C)OCc1cnccn1 34a_100011934205_100016995436 [0,2,0,0,0,0|2,0,0]=4 21287 B13R1.42 COC[C@@H](C)OCc1ncccn1 34a_100011934205_100000703007 [0,2,0,0,0,0|2,0,0]=4 21288 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,2,0,0,0,0|1,0,1]=4 21289 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,2,0,0,0,0|1,0,1]=4 21290 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,2,0,0,0,0|1,0,1]=4 21291 B13R1.42 CSCC(=O)CCc1ccccn1 1458a_100000184570_100015183660 [0,2,0,0,0,0|0,0,1]=3 21292 B13R1.42 CSCC(=O)NCc1ccccn1 11a_100000210449_100000184570 [0,2,0,0,0,0|1,0,1]=4 21293 B13R1.42 CSCC(=O)NCc1ccccn1 1626a_100000210449_100000184570 [0,2,0,0,0,0|1,0,1]=4 21294 B13R1.42 CSCC(=O)NCc1ccccn1 240690a_100000210449_100000184570 [0,2,0,0,0,0|1,0,1]=4 21295 B13R1.42 CSCC(=O)NCc1ccccn1 527a_100000210449_100000184570 [0,2,0,0,0,0|1,0,1]=4 21296 B13R1.42 CSCC(=O)NCc1ccccn1 62a_100000684169_200000210301 [0,2,0,0,0,0|1,0,1]=4 21297 B13R1.42 CSCC(=O)NCc1ccccn1 62a_200000210301_100000684169 [0,2,0,0,0,0|1,0,1]=4 21298 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,2,0,0,0,0|2,0,0]=4 21299 B13R1.42 CSCC(C)NCc1ccccn1 270004a_100000210449_100011216314 [0,2,0,0,0,0|1,0,0]=3 21300 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [0,2,0,0,0,0|2,0,0]=4 21301 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [0,2,0,0,0,0|2,0,0]=4 21302 B13R1.42 CSCN(C)CCc1ccccn1 2230a_100000737206_100011218213 [0,2,0,0,0,0|1,0,0]=3 21303 B13R1.42 CSCN(C)CCc1ccccn1 269982a_100000737206_100011218213 [0,2,0,0,0,0|1,0,0]=3 21304 B13R1.42 C[C@@H](CC#N)NCc1ccccn1 207a_100016994482_100000209966 [0,2,0,0,0,0|1,0,1]=4 21305 B13R1.42 C[C@@H](CC#N)NCc1ccccn1 2230a_100016994482_100000721315 [0,2,0,0,0,0|1,0,1]=4 21306 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,2,0,0,0,0|2,0,0]=4 21307 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,2,0,0,0,0|2,0,0]=4 21308 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,2,0,0,0,0|2,0,0]=4 21309 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,2,0,0,0,0|2,0,0]=4 21310 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,2,0,0,0,0|2,0,0]=4 21311 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,2,0,0,0,0|2,0,0]=4 21312 B13R1.42 C[C@H](CCO)NCc1ccccn1 207a_100000706166_100000209966 [0,2,0,0,0,0|1,0,0]=3 21313 B13R1.42 C[C@H](CCO)NCc1ccccn1 2230a_100000706166_100000721315 [0,2,0,0,0,0|1,0,0]=3 21314 B13R1.42 C[C@H](CCO)NCc1ccccn1 270004a_100000706166_100000209966 [0,2,0,0,0,0|1,0,0]=3 21315 B13R1.42 C[C@H](CCO)NCc1ccccn1 34a_100000706166_100000721315 [0,2,0,0,0,0|1,0,0]=3 21316 B13R1.42 C[C@H](CCO)NCc1cccnn1 2230a_100000706166_100016990269 [0,2,0,0,0,0|2,0,0]=4 21317 B13R1.42 C[C@H](CCO)NCc1cccnn1 34a_100000706166_100016990269 [0,2,0,0,0,0|2,0,0]=4 21318 B13R1.42 C[C@H](CCO)NCc1cnccn1 2230a_100000706166_100016995436 [0,2,0,0,0,0|2,0,0]=4 21319 B13R1.42 C[C@H](CCO)NCc1cnccn1 270004a_100000706166_100000749867 [0,2,0,0,0,0|2,0,0]=4 21320 B13R1.42 C[C@H](CCO)NCc1cnccn1 34a_100000706166_100016995436 [0,2,0,0,0,0|2,0,0]=4 21321 B13R1.42 C[C@H](CCO)NCc1ncccn1 2230a_100000706166_100000703007 [0,2,0,0,0,0|2,0,0]=4 21322 B13R1.42 C[C@H](CCO)NCc1ncccn1 270004a_100000706166_100011532527 [0,2,0,0,0,0|2,0,0]=4 21323 B13R1.42 C[C@H](CCO)NCc1ncccn1 34a_100000706166_100000703007 [0,2,0,0,0,0|2,0,0]=4 21324 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,2,0,0,0,0|2,0,0]=4 21325 B13R1.42 N#CCC(=O)CCc1ccccn1 1458a_100015195070_100011214920 [0,2,0,0,0,0|0,0,2]=4 21326 B13R1.42 N#CCC(=O)CCc1ccccn1 1458a_100051588842_100015183660 [0,2,0,0,0,0|0,0,2]=4 21327 B13R1.42 N#CC[C@H](O)CSc1ccccn1 62a_100000001066_100011216584 [0,2,0,0,0,0|1,0,1]=4 21328 B13R1.42 N#CC[C@H](O)CSc1ccccn1 62a_100011216584_100000001066 [0,2,0,0,0,0|1,0,1]=4 21329 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,2,0,0,0,0|1,0,1]=4 21330 B13R1.42 O=C(CCF)CCc1ccccn1 1458a_100015195070_100011217306 [0,2,0,0,0,0|0,0,1]=3 21331 B13R1.42 O=C(CCF)COc1ccccn1 1458a_100102699861_100011217306 [0,2,0,0,0,0|1,0,1]=4 21332 B13R1.42 O=C(CCF)CSc1ccccn1 1458a_100000156281_100011217306 [0,2,0,0,0,0|1,0,1]=4 21333 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,2,0,0,0,0|1,0,1]=4 21334 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,2,0,0,0,0|1,0,1]=4 21335 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100011216618_100015183660 [0,2,0,0,0,0|0,0,1]=3 21336 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100015195070_100000211926 [0,2,0,0,0,0|0,0,1]=3 21337 B13R1.42 O=C(CCO)COc1ccccn1 1458a_100102699861_100000211926 [0,2,0,0,0,0|1,0,1]=4 21338 B13R1.42 O=C(CCO)CSc1ccccn1 1458a_100000156281_100000211926 [0,2,0,0,0,0|1,0,1]=4 21339 B13R1.42 O=C(CCO)NCc1ccccn1 240690a_100000210449_100011216618 [0,2,0,0,0,0|1,0,1]=4 21340 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,2,0,0,0,0|2,0,0]=4 21341 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,2,0,0,0,0|2,0,0]=4 21342 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,2,0,0,0,0|1,0,1]=4 21343 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,2,0,0,0,0|1,0,1]=4 21344 B13R1.42 [13CH3]SCC(=O)NCc1ccccn1 62a_100000684169_200025704644 [0,2,0,0,0,0|1,0,1]=4 21345 B13R1.42 [13CH3]SCC(=O)NCc1ccccn1 62a_200025704644_100000684169 [0,2,0,0,0,0|1,0,1]=4 21346 B13R1.44 C#CCCC(=O)Cc1ccccn1 1458a_100000233486_100000753159 [0,2,0,0,0,0|0,0,2]=4 21347 B13R1.44 C#CCCC(=O)Cc1ccccn1 1458a_100000692101_100000721315 [0,2,0,0,0,0|0,0,2]=4 21348 B13R1.44 C#CCCN(C)Cc1ccccn1 2230a_100000207498_100000688953 [0,2,0,0,0,0|0,0,2]=4 21349 B13R1.44 C#CCCN(C)Cc1ccccn1 269982a_100000207498_100000730999 [0,2,0,0,0,0|0,0,2]=4 21350 B13R1.44 C#CCNC(C)Cc1ccccn1 2230a_100000238496_100000038162 [0,2,0,0,0,0|0,0,2]=4 21351 B13R1.44 C/C=C/CC(=O)Cc1ccccn1 1458a_100000233486_100102629194 [0,2,0,0,0,0|0,0,2]=4 21352 B13R1.44 C/C=C/CN(C)Cc1ccccn1 269982a_100000207498_100102629194 [0,2,0,0,0,0|0,0,2]=4 21353 B13R1.44 C=CCCC(=O)Cc1ccccn1 1458a_100000233486_100000754431 [0,2,0,0,0,0|0,0,2]=4 21354 B13R1.44 C=CCCC(=O)Cc1ccccn1 1458a_100000749702_100000721315 [0,2,0,0,0,0|0,0,2]=4 21355 B13R1.44 C=CCCN(C)Cc1ccccn1 2230a_100000207498_100000754431 [0,2,0,0,0,0|0,0,2]=4 21356 B13R1.44 C=CCCN(C)Cc1ccccn1 2230a_100020639649_100000721315 [0,2,0,0,0,0|0,0,2]=4 21357 B13R1.44 C=CCCN(C)Cc1ccccn1 269982a_100000207498_100000754431 [0,2,0,0,0,0|0,0,2]=4 21358 B13R1.44 C=CCCN(C)Cc1ccccn1 269982a_100020639649_100000721315 [0,2,0,0,0,0|0,0,2]=4 21359 B13R1.44 C=CCCN(C)Cc1ccccn1 270004a_100020639649_100000209966 [0,2,0,0,0,0|0,0,2]=4 21360 B13R1.44 C=CCNC(C)Cc1ccccn1 2230a_100000238496_100000210623 [0,2,0,0,0,0|0,0,2]=4 21361 B13R1.44 CC#CCC(=O)Cc1ccccn1 1458a_100000233486_100000748600 [0,2,0,0,0,0|0,0,2]=4 21362 B13R1.44 CC#CCN(C)Cc1ccccn1 2230a_100000207498_100000748600 [0,2,0,0,0,0|0,0,2]=4 21363 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,2,0,0,0,0|2,0,0]=4 21364 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,2,0,0,0,0|2,0,0]=4 21365 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,2,0,0,0,0|2,0,0]=4 21366 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,2,0,0,0,0|2,0,0]=4 21367 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,2,0,0,0,0|2,0,0]=4 21368 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,2,0,0,0,0|2,0,0]=4 21369 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,2,0,0,0,0|2,0,0]=4 21370 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,2,0,0,0,0|2,0,0]=4 21371 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,2,0,0,0,0|2,0,0]=4 21372 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,2,0,0,0,0|2,0,0]=4 21373 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,2,0,0,0,0|2,0,0]=4 21374 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,2,0,0,0,0|2,0,0]=4 21375 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,2,0,0,0,0|2,0,0]=4 21376 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,2,0,0,0,0|2,0,0]=4 21377 B13R1.44 CC(Cc1ccccn1)NCC#N 2230a_100000238496_100011215382 [0,2,0,0,0,0|1,0,1]=4 21378 B13R1.44 CC(Cc1ccccn1)NCC=O 2230a_100000238496_200015260668 [0,2,0,0,0,0|1,0,1]=4 21379 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [0,2,0,0,0,0|1,0,0]=3 21380 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [0,2,0,0,0,0|1,0,0]=3 21381 B13R1.44 CC(Cc1cnccn1)NCCF 2230a_100011277835_100011217306 [0,2,0,0,0,0|2,0,0]=4 21382 B13R1.44 CC(Cc1cnccn1)NCCO 2230a_100011277835_100000211926 [0,2,0,0,0,0|2,0,0]=4 21383 B13R1.44 CC(Cc1cnccn1)NCCO 270004a_100000210304_100015184882 [0,2,0,0,0,0|2,0,0]=4 21384 B13R1.44 CC=CCC(=O)Cc1ccccn1 1458a_100000233486_100000070051 [0,2,0,0,0,0|0,0,2]=4 21385 B13R1.44 CC=CCC(=O)Cc1ccccn1 1458a_100121576822_100000721315 [0,2,0,0,0,0|0,0,2]=4 21386 B13R1.44 CC=CCN(C)Cc1ccccn1 2230a_100000207498_100000070051 [0,2,0,0,0,0|0,0,2]=4 21387 B13R1.44 CCC#CC(=O)Cc1ccccn1 1458a_100011827653_100000721315 [0,2,0,0,0,0|0,0,2]=4 21388 B13R1.44 CCC=CC(=O)Cc1ccccn1 1458a_100000212282_100000721315 [0,2,0,0,0,0|0,0,2]=4 21389 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [0,2,0,0,0,0|1,0,1]=4 21390 B13R1.44 CCCCC(=Cc1ccccn1)Br 271570a_206741709834_100011216584 [0,2,0,0,0,0|0,0,1]=3 21391 B13R1.44 CCCCC(=Cc1cccnn1)Br 271570a_206741709834_100016991348 [0,2,0,0,0,0|1,0,1]=4 21392 B13R1.44 CCCCC(=Cc1ccncn1)Br 271570a_206741709834_100000703185 [0,2,0,0,0,0|1,0,1]=4 21393 B13R1.44 CCCCC(=Cc1cnccn1)Br 271570a_206741709834_100000758340 [0,2,0,0,0,0|1,0,1]=4 21394 B13R1.44 CCCCC(=Cc1ncccn1)Br 271570a_206741709834_100000211032 [0,2,0,0,0,0|1,0,1]=4 21395 B13R1.44 CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210211 [0,2,0,0,0,0|2,0,0]=4 21396 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,2,0,0,0,0|1,0,0]=3 21397 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [0,2,0,0,0,0|0,0,0]=2 21398 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [0,2,0,0,0,0|0,0,0]=2 21399 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,2,0,0,0,0|2,0,0]=4 21400 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,2,0,0,0,0|2,0,0]=4 21401 B13R1.44 CCCCC(=O)Cc1cccnn1 1458a_100000210183_100016990269 [0,2,0,0,0,0|1,0,0]=3 21402 B13R1.44 CCCCC(=O)Cc1ccncc1 1458a_100000210183_100000705612 [0,2,0,0,0,0|2,0,0]=4 21403 B13R1.44 CCCCC(=O)Cc1cnccn1 1458a_100000210183_100016995436 [0,2,0,0,0,0|1,0,0]=3 21404 B13R1.44 CCCCC(=O)Cc1ncccn1 1458a_100000210183_100000703007 [0,2,0,0,0,0|1,0,0]=3 21405 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [0,2,0,0,0,0|1,0,1]=4 21406 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [0,2,0,0,0,0|1,0,1]=4 21407 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [0,2,0,0,0,0|1,0,1]=4 21408 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [0,2,0,0,0,0|1,0,1]=4 21409 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,2,0,0,0,0|1,0,0]=3 21410 B13R1.44 CCCCC(C)Nc1cccnn1 27a_100000126638_100016991348 [0,2,0,0,0,0|1,0,0]=3 21411 B13R1.44 CCCCC(C)Nc1ccncn1 27a_100000126638_100000703185 [0,2,0,0,0,0|1,0,0]=3 21412 B13R1.44 CCCCC(C)Nc1cnccn1 27a_100000126638_100000211759 [0,2,0,0,0,0|1,0,0]=3 21413 B13R1.44 CCCCC(C)Nc1ncccn1 27a_100000126638_100000211032 [0,2,0,0,0,0|1,0,0]=3 21414 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,2,0,0,0,0|1,0,0]=3 21415 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,2,0,0,0,0|1,0,0]=3 21416 B13R1.44 CCCCC(C)Oc1cccnc1 34a_100000210849_200011215066 [0,2,0,0,0,0|2,0,0]=4 21417 B13R1.44 CCCCC(C)Oc1cccnc1 7a_100000210849_200011215066 [0,2,0,0,0,0|2,0,0]=4 21418 B13R1.44 CCCCC(C)Oc1ccncc1 34a_100000212176_200011215066 [0,2,0,0,0,0|2,0,0]=4 21419 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,2,0,0,0,0|1,0,0]=3 21420 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,2,0,0,0,0|1,0,0]=3 21421 B13R1.44 CCCCC(C)Sc1ccccn1 62a_100011216584_200011215066 [0,2,0,0,0,0|0,0,0]=2 21422 B13R1.44 CCCCC(C)Sc1ccccn1 62a_200011215066_100011216584 [0,2,0,0,0,0|0,0,0]=2 21423 B13R1.44 CCCCC(C)Sc1cccnc1 62a_100000210063_200011215066 [0,2,0,0,0,0|2,0,0]=4 21424 B13R1.44 CCCCC(C)Sc1cccnc1 62a_200011215066_100000210063 [0,2,0,0,0,0|2,0,0]=4 21425 B13R1.44 CCCCC(C)Sc1cccnn1 62a_100016991348_200011215066 [0,2,0,0,0,0|1,0,0]=3 21426 B13R1.44 CCCCC(C)Sc1cccnn1 62a_200011215066_100016991348 [0,2,0,0,0,0|1,0,0]=3 21427 B13R1.44 CCCCC(C)Sc1ccncc1 62a_100000728582_200011215066 [0,2,0,0,0,0|2,0,0]=4 21428 B13R1.44 CCCCC(C)Sc1ccncc1 62a_200011215066_100000728582 [0,2,0,0,0,0|2,0,0]=4 21429 B13R1.44 CCCCC(C)Sc1ccncn1 62a_100000703185_200011215066 [0,2,0,0,0,0|1,0,0]=3 21430 B13R1.44 CCCCC(C)Sc1ccncn1 62a_200011215066_100000703185 [0,2,0,0,0,0|1,0,0]=3 21431 B13R1.44 CCCCC(C)Sc1cnccn1 62a_100000211759_200011215066 [0,2,0,0,0,0|1,0,0]=3 21432 B13R1.44 CCCCC(C)Sc1cnccn1 62a_200011215066_100000211759 [0,2,0,0,0,0|1,0,0]=3 21433 B13R1.44 CCCCC(C)Sc1ncccn1 62a_100000211032_200011215066 [0,2,0,0,0,0|1,0,0]=3 21434 B13R1.44 CCCCC(C)Sc1ncccn1 62a_200011215066_100000211032 [0,2,0,0,0,0|1,0,0]=3 21435 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,2,0,0,0,0|1,0,0]=3 21436 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,2,0,0,0,0|1,0,0]=3 21437 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,2,0,0,0,0|1,0,0]=3 21438 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,2,0,0,0,0|1,0,0]=3 21439 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,2,0,0,0,0|1,0,0]=3 21440 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,2,0,0,0,0|1,0,0]=3 21441 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,2,0,0,0,0|1,0,0]=3 21442 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207498_100000210211 [0,2,0,0,0,0|0,0,0]=2 21443 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207549_100000721315 [0,2,0,0,0,0|0,0,0]=2 21444 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_200000200672_200000210301 [0,2,0,0,0,0|0,0,0]=2 21445 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207498_100000210211 [0,2,0,0,0,0|0,0,0]=2 21446 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207549_100000721315 [0,2,0,0,0,0|0,0,0]=2 21447 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_200000200672_200000210301 [0,2,0,0,0,0|0,0,0]=2 21448 B13R1.44 CCCCN(C)Cc1ccccn1 270004a_100000207549_100000209966 [0,2,0,0,0,0|0,0,0]=2 21449 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000184577_100000210211 [0,2,0,0,0,0|2,0,0]=4 21450 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000207549_100000741622 [0,2,0,0,0,0|2,0,0]=4 21451 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_200000200674_200000210301 [0,2,0,0,0,0|2,0,0]=4 21452 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000184577_100000210211 [0,2,0,0,0,0|2,0,0]=4 21453 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000207549_100000733263 [0,2,0,0,0,0|2,0,0]=4 21454 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_200000200674_200000210301 [0,2,0,0,0,0|2,0,0]=4 21455 B13R1.44 CCCCN(C)Cc1cccnc1 270004a_100000207549_100000209961 [0,2,0,0,0,0|2,0,0]=4 21456 B13R1.44 CCCCN(C)Cc1cccnn1 2230a_100000207549_100016990269 [0,2,0,0,0,0|1,0,0]=3 21457 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000187231_100000210211 [0,2,0,0,0,0|2,0,0]=4 21458 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000207549_100015193705 [0,2,0,0,0,0|2,0,0]=4 21459 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_200015187765_200000210301 [0,2,0,0,0,0|2,0,0]=4 21460 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000187231_100000210211 [0,2,0,0,0,0|2,0,0]=4 21461 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000207549_100015193705 [0,2,0,0,0,0|2,0,0]=4 21462 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_200015187765_200000210301 [0,2,0,0,0,0|2,0,0]=4 21463 B13R1.44 CCCCN(C)Cc1cnccn1 2230a_100000207549_100016995436 [0,2,0,0,0,0|1,0,0]=3 21464 B13R1.44 CCCCN(C)Cc1cnccn1 2230a_100011269079_100000210211 [0,2,0,0,0,0|1,0,0]=3 21465 B13R1.44 CCCCN(C)Cc1cnccn1 269982a_100000207549_100016995436 [0,2,0,0,0,0|1,0,0]=3 21466 B13R1.44 CCCCN(C)Cc1cnccn1 269982a_100011269079_100000210211 [0,2,0,0,0,0|1,0,0]=3 21467 B13R1.44 CCCCN(C)Cc1cnccn1 270004a_100000207549_100000749867 [0,2,0,0,0,0|1,0,0]=3 21468 B13R1.44 CCCCN(C)Cc1ncccn1 2230a_100000207549_100000703007 [0,2,0,0,0,0|1,0,0]=3 21469 B13R1.44 CCCCN(C)Cc1ncccn1 2230a_100025716638_100000210211 [0,2,0,0,0,0|1,0,0]=3 21470 B13R1.44 CCCCN(C)Cc1ncccn1 269982a_100000207549_100000703007 [0,2,0,0,0,0|1,0,0]=3 21471 B13R1.44 CCCCN(C)Cc1ncccn1 269982a_100025716638_100000210211 [0,2,0,0,0,0|1,0,0]=3 21472 B13R1.44 CCCCN(C)Cc1ncccn1 270004a_100000207549_100011532527 [0,2,0,0,0,0|1,0,0]=3 21473 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,2,0,0,0,0|1,0,0]=3 21474 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,2,0,0,0,0|1,0,0]=3 21475 B13R1.44 CCCCN([13CH3])Cc1ccccn1 2230a_200000200672_200025704644 [0,2,0,0,0,0|0,0,0]=2 21476 B13R1.44 CCCCN([13CH3])Cc1ccccn1 269982a_200000200672_200025704644 [0,2,0,0,0,0|0,0,0]=2 21477 B13R1.44 CCCCN([13CH3])Cc1cccnc1 2230a_200000200674_200025704644 [0,2,0,0,0,0|2,0,0]=4 21478 B13R1.44 CCCCN([13CH3])Cc1cccnc1 269982a_200000200674_200025704644 [0,2,0,0,0,0|2,0,0]=4 21479 B13R1.44 CCCCN([13CH3])Cc1ccncc1 2230a_200015187765_200025704644 [0,2,0,0,0,0|2,0,0]=4 21480 B13R1.44 CCCCN([13CH3])Cc1ccncc1 269982a_200015187765_200025704644 [0,2,0,0,0,0|2,0,0]=4 21481 B13R1.44 CCCNC(=O)Cc1ccccn1 11a_100020643023_100000233486 [0,2,0,0,0,0|0,0,1]=3 21482 B13R1.44 CCCNC(=O)Cc1cnccn1 11a_100020643023_100000726051 [0,2,0,0,0,0|1,0,1]=4 21483 B13R1.44 CCCNC(=O)Cc1cnccn1 240690a_100020643023_100000726051 [0,2,0,0,0,0|1,0,1]=4 21484 B13R1.44 CCCNC(=O)Cc1cnccn1 527a_100020643023_100000726051 [0,2,0,0,0,0|1,0,1]=4 21485 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [0,2,0,0,0,0|2,0,0]=4 21486 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [0,2,0,0,0,0|0,0,0]=2 21487 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,2,0,0,0,0|2,0,0]=4 21488 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,2,0,0,0,0|2,0,0]=4 21489 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [0,2,0,0,0,0|2,0,0]=4 21490 B13R1.44 CCCNC(C)Cc1cnccn1 2230a_100011277835_100000210303 [0,2,0,0,0,0|1,0,0]=3 21491 B13R1.44 CCCNC(C)Cc1cnccn1 270004a_100020643023_100015184882 [0,2,0,0,0,0|1,0,0]=3 21492 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,2,0,0,0,0|1,0,0]=3 21493 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,2,0,0,0,0|1,0,0]=3 21494 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,2,0,0,0,0|1,0,0]=3 21495 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,2,0,0,0,0|1,0,0]=3 21496 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,2,0,0,0,0|1,0,0]=3 21497 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,2,0,0,0,0|1,0,1]=4 21498 B13R1.44 CCNCC(=O)Nc1ccccn1 2230a_100015525214_100020662008 [0,2,0,0,0,0|1,0,1]=4 21499 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [0,2,0,0,0,0|2,0,0]=4 21500 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [0,2,0,0,0,0|2,0,0]=4 21501 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,2,0,0,0,0|1,0,0]=3 21502 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,2,0,0,0,0|1,0,0]=3 21503 B13R1.44 CCNNC(=O)Cc1ccccn1 22a_100000756455_100000233486 [0,2,0,0,0,0|1,0,1]=4 21504 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,2,0,0,0,0|1,0,1]=4 21505 B13R1.44 CCOCC(=O)Cc1ccccn1 1458a_100000211967_100000721315 [0,2,0,0,0,0|0,0,1]=3 21506 B13R1.44 CCOCC(=O)Cc1cccnn1 1458a_100000211967_100016990269 [0,2,0,0,0,0|1,0,1]=4 21507 B13R1.44 CCOCC(=O)Cc1cnccn1 1458a_100000211967_100016995436 [0,2,0,0,0,0|1,0,1]=4 21508 B13R1.44 CCOCC(=O)Cc1ncccn1 1458a_100000211967_100000703007 [0,2,0,0,0,0|1,0,1]=4 21509 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,2,0,0,0,0|1,0,0]=3 21510 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,2,0,0,0,0|1,0,0]=3 21511 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,2,0,0,0,0|2,0,0]=4 21512 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,2,0,0,0,0|2,0,0]=4 21513 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,2,0,0,0,0|1,0,0]=3 21514 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,2,0,0,0,0|2,0,0]=4 21515 B13R1.44 CCOCN(C)Cc1ccccn1 269982a_100000207498_100000739092 [0,2,0,0,0,0|1,0,0]=3 21516 B13R1.44 CCOCN(C)Cc1cnccn1 269982a_100011269079_100000739092 [0,2,0,0,0,0|2,0,0]=4 21517 B13R1.44 CCOCN(C)Cc1ncccn1 269982a_100025716638_100000739092 [0,2,0,0,0,0|2,0,0]=4 21518 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,2,0,0,0,0|1,0,0]=3 21519 B13R1.44 CCSCC(=O)Cc1ccccc1 1458a_100000230394_100015291786 [0,2,0,0,0,0|1,0,1]=4 21520 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000210202_100000233483 [0,2,0,0,0,0|1,0,1]=4 21521 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210202 [0,2,0,0,0,0|1,0,1]=4 21522 B13R1.44 CCSCC(=O)Cc1ccccn1 1458a_100000230394_100000721315 [0,2,0,0,0,0|0,0,1]=3 21523 B13R1.44 CCSCC(=O)Cc1cccnn1 1458a_100000230394_100016990269 [0,2,0,0,0,0|1,0,1]=4 21524 B13R1.44 CCSCC(=O)Cc1cnccn1 1458a_100000230394_100016995436 [0,2,0,0,0,0|1,0,1]=4 21525 B13R1.44 CCSCC(=O)Cc1ncccn1 1458a_100000230394_100000703007 [0,2,0,0,0,0|1,0,1]=4 21526 B13R1.44 CCSCC(=O)Nc1ccccn1 62a_100000210202_100020662008 [0,2,0,0,0,0|1,0,1]=4 21527 B13R1.44 CCSCC(=O)Nc1ccccn1 62a_100020662008_100000210202 [0,2,0,0,0,0|1,0,1]=4 21528 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,2,0,0,0,0|1,0,0]=3 21529 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,2,0,0,0,0|1,0,0]=3 21530 B13R1.44 CN(CCC#N)Cc1ccccn1 2230a_100000184479_100000721315 [0,2,0,0,0,0|1,0,1]=4 21531 B13R1.44 CN(CCC#N)Cc1ccccn1 2230a_100000207498_100011215226 [0,2,0,0,0,0|1,0,1]=4 21532 B13R1.44 CN(CCC#N)Cc1ccccn1 269982a_100000207498_100011215226 [0,2,0,0,0,0|1,0,1]=4 21533 B13R1.44 CN(CCC#N)Cc1ccccn1 270004a_100000184479_100000209966 [0,2,0,0,0,0|1,0,1]=4 21534 B13R1.44 CN(CCCF)Cc1ccccc1 2230a_100000186898_100011934791 [0,2,0,0,0,0|2,0,0]=4 21535 B13R1.44 CN(CCCF)Cc1ccccc1 269982a_100000186898_100011934791 [0,2,0,0,0,0|2,0,0]=4 21536 B13R1.44 CN(CCCF)Cc1ccccn1 2230a_100000207498_100011934791 [0,2,0,0,0,0|1,0,0]=3 21537 B13R1.44 CN(CCCF)Cc1ccccn1 269982a_100000207498_100011934791 [0,2,0,0,0,0|1,0,0]=3 21538 B13R1.44 CN(CCCF)Cc1cnccn1 2230a_100011269079_100011934791 [0,2,0,0,0,0|2,0,0]=4 21539 B13R1.44 CN(CCCF)Cc1cnccn1 269982a_100011269079_100011934791 [0,2,0,0,0,0|2,0,0]=4 21540 B13R1.44 CN(CCCF)Cc1ncccn1 2230a_100025716638_100011934791 [0,2,0,0,0,0|2,0,0]=4 21541 B13R1.44 CN(CCCF)Cc1ncccn1 269982a_100025716638_100011934791 [0,2,0,0,0,0|2,0,0]=4 21542 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [0,2,0,0,0,0|2,0,0]=4 21543 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [0,2,0,0,0,0|2,0,0]=4 21544 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [0,2,0,0,0,0|2,0,0]=4 21545 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [0,2,0,0,0,0|2,0,0]=4 21546 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [0,2,0,0,0,0|2,0,0]=4 21547 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [0,2,0,0,0,0|2,0,0]=4 21548 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [0,2,0,0,0,0|2,0,0]=4 21549 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000200612_200000210301 [0,2,0,0,0,0|1,0,0]=3 21550 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000207498_100000230001 [0,2,0,0,0,0|1,0,0]=3 21551 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000213112_100000721315 [0,2,0,0,0,0|1,0,0]=3 21552 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000200612_200000210301 [0,2,0,0,0,0|1,0,0]=3 21553 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000207498_100011215043 [0,2,0,0,0,0|1,0,0]=3 21554 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000213112_100000721315 [0,2,0,0,0,0|1,0,0]=3 21555 B13R1.44 CN(CCCO)Cc1ccccn1 270004a_100000213112_100000209966 [0,2,0,0,0,0|1,0,0]=3 21556 B13R1.44 CN(CCCO)Cc1cccnn1 2230a_100000213112_100016990269 [0,2,0,0,0,0|2,0,0]=4 21557 B13R1.44 CN(CCCO)Cc1cnccn1 2230a_100000213112_100016995436 [0,2,0,0,0,0|2,0,0]=4 21558 B13R1.44 CN(CCCO)Cc1cnccn1 2230a_100011269079_100000230001 [0,2,0,0,0,0|2,0,0]=4 21559 B13R1.44 CN(CCCO)Cc1cnccn1 269982a_100000213112_100016995436 [0,2,0,0,0,0|2,0,0]=4 21560 B13R1.44 CN(CCCO)Cc1cnccn1 269982a_100011269079_100011215043 [0,2,0,0,0,0|2,0,0]=4 21561 B13R1.44 CN(CCCO)Cc1cnccn1 270004a_100000213112_100000749867 [0,2,0,0,0,0|2,0,0]=4 21562 B13R1.44 CN(CCCO)Cc1ncccn1 2230a_100000213112_100000703007 [0,2,0,0,0,0|2,0,0]=4 21563 B13R1.44 CN(CCCO)Cc1ncccn1 2230a_100025716638_100000230001 [0,2,0,0,0,0|2,0,0]=4 21564 B13R1.44 CN(CCCO)Cc1ncccn1 269982a_100000213112_100000703007 [0,2,0,0,0,0|2,0,0]=4 21565 B13R1.44 CN(CCCO)Cc1ncccn1 269982a_100025716638_100011215043 [0,2,0,0,0,0|2,0,0]=4 21566 B13R1.44 CN(CCCO)Cc1ncccn1 270004a_100000213112_100011532527 [0,2,0,0,0,0|2,0,0]=4 21567 B13R1.44 CN(CCS[13CH3])Cc1ccccc1 62a_200025704644_100015196923 [0,2,0,0,0,0|2,0,0]=4 21568 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [0,2,0,0,0,0|2,0,0]=4 21569 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [0,2,0,0,0,0|2,0,0]=4 21570 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [0,2,0,0,0,0|2,0,0]=4 21571 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [0,2,0,0,0,0|1,0,1]=4 21572 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000233486_100000233755 [0,2,0,0,0,0|0,0,1]=3 21573 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000749529_100000721315 [0,2,0,0,0,0|0,0,1]=3 21574 B13R1.44 COCCC(=O)Cc1cccnn1 1458a_100000749529_100016990269 [0,2,0,0,0,0|1,0,1]=4 21575 B13R1.44 COCCC(=O)Cc1cnccn1 1458a_100000749529_100016995436 [0,2,0,0,0,0|1,0,1]=4 21576 B13R1.44 COCCC(=O)Cc1ncccn1 1458a_100000749529_100000703007 [0,2,0,0,0,0|1,0,1]=4 21577 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [0,2,0,0,0,0|2,0,0]=4 21578 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [0,2,0,0,0,0|2,0,0]=4 21579 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [0,2,0,0,0,0|2,0,0]=4 21580 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [0,2,0,0,0,0|2,0,0]=4 21581 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [0,2,0,0,0,0|2,0,0]=4 21582 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [0,2,0,0,0,0|2,0,0]=4 21583 B13R1.44 COCCN(C)Cc1ccccn1 2230a_100000200123_200000210301 [0,2,0,0,0,0|1,0,0]=3 21584 B13R1.44 COCCN(C)Cc1ccccn1 2230a_100000207498_100011201679 [0,2,0,0,0,0|1,0,0]=3 21585 B13R1.44 COCCN(C)Cc1ccccn1 2230a_100000743101_100000721315 [0,2,0,0,0,0|1,0,0]=3 21586 B13R1.44 COCCN(C)Cc1ccccn1 269982a_100000200123_200000210301 [0,2,0,0,0,0|1,0,0]=3 21587 B13R1.44 COCCN(C)Cc1ccccn1 269982a_100000207498_100000233755 [0,2,0,0,0,0|1,0,0]=3 21588 B13R1.44 COCCN(C)Cc1ccccn1 269982a_100000743101_100000721315 [0,2,0,0,0,0|1,0,0]=3 21589 B13R1.44 COCCN(C)Cc1ccccn1 270004a_100000743101_100000209966 [0,2,0,0,0,0|1,0,0]=3 21590 B13R1.44 COCCN(C)Cc1cccnn1 2230a_100000743101_100016990269 [0,2,0,0,0,0|2,0,0]=4 21591 B13R1.44 COCCN(C)Cc1cnccn1 2230a_100000743101_100016995436 [0,2,0,0,0,0|2,0,0]=4 21592 B13R1.44 COCCN(C)Cc1cnccn1 2230a_100011269079_100011201679 [0,2,0,0,0,0|2,0,0]=4 21593 B13R1.44 COCCN(C)Cc1cnccn1 269982a_100000743101_100016995436 [0,2,0,0,0,0|2,0,0]=4 21594 B13R1.44 COCCN(C)Cc1cnccn1 269982a_100011269079_100000233755 [0,2,0,0,0,0|2,0,0]=4 21595 B13R1.44 COCCN(C)Cc1cnccn1 270004a_100000743101_100000749867 [0,2,0,0,0,0|2,0,0]=4 21596 B13R1.44 COCCN(C)Cc1ncccn1 2230a_100000743101_100000703007 [0,2,0,0,0,0|2,0,0]=4 21597 B13R1.44 COCCN(C)Cc1ncccn1 2230a_100025716638_100011201679 [0,2,0,0,0,0|2,0,0]=4 21598 B13R1.44 COCCN(C)Cc1ncccn1 269982a_100000743101_100000703007 [0,2,0,0,0,0|2,0,0]=4 21599 B13R1.44 COCCN(C)Cc1ncccn1 269982a_100025716638_100000233755 [0,2,0,0,0,0|2,0,0]=4 21600 B13R1.44 COCCN(C)Cc1ncccn1 270004a_100000743101_100011532527 [0,2,0,0,0,0|2,0,0]=4 21601 B13R1.44 COCCN([13CH3])Cc1ccccn1 2230a_100000200123_200025704644 [0,2,0,0,0,0|1,0,0]=3 21602 B13R1.44 COCCN([13CH3])Cc1ccccn1 269982a_100000200123_200025704644 [0,2,0,0,0,0|1,0,0]=3 21603 B13R1.44 COCNC(C)Cc1ccccn1 2230a_100000238496_100000766300 [0,2,0,0,0,0|1,0,0]=3 21604 B13R1.44 COCNC(C)Cc1cnccn1 2230a_100011277835_100000766300 [0,2,0,0,0,0|2,0,0]=4 21605 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,2,0,0,0,0|2,0,0]=4 21606 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,2,0,0,0,0|2,0,0]=4 21607 B13R1.44 CSCCC(=O)Cc1ccccc1 1458a_100000174002_100015291786 [0,2,0,0,0,0|1,0,1]=4 21608 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000174002_100000721315 [0,2,0,0,0,0|0,0,1]=3 21609 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000233486_100000751147 [0,2,0,0,0,0|0,0,1]=3 21610 B13R1.44 CSCCC(=O)Cc1cccnn1 1458a_100000174002_100016990269 [0,2,0,0,0,0|1,0,1]=4 21611 B13R1.44 CSCCC(=O)Cc1cnccn1 1458a_100000174002_100016995436 [0,2,0,0,0,0|1,0,1]=4 21612 B13R1.44 CSCCC(=O)Cc1ncccn1 1458a_100000174002_100000703007 [0,2,0,0,0,0|1,0,1]=4 21613 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000186898_100000751147 [0,2,0,0,0,0|2,0,0]=4 21614 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000686725_100015291786 [0,2,0,0,0,0|2,0,0]=4 21615 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000186898_100000212216 [0,2,0,0,0,0|2,0,0]=4 21616 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000686725_100000211182 [0,2,0,0,0,0|2,0,0]=4 21617 B13R1.44 CSCCN(C)Cc1ccccc1 270004a_100000686725_100015611070 [0,2,0,0,0,0|2,0,0]=4 21618 B13R1.44 CSCCN(C)Cc1ccccc1 62a_200000210301_100015196923 [0,2,0,0,0,0|2,0,0]=4 21619 B13R1.44 CSCCN(C)Cc1ccccn1 2230a_100000207498_100000751147 [0,2,0,0,0,0|1,0,0]=3 21620 B13R1.44 CSCCN(C)Cc1ccccn1 2230a_100000686725_100000721315 [0,2,0,0,0,0|1,0,0]=3 21621 B13R1.44 CSCCN(C)Cc1ccccn1 269982a_100000207498_100000212216 [0,2,0,0,0,0|1,0,0]=3 21622 B13R1.44 CSCCN(C)Cc1ccccn1 269982a_100000686725_100000721315 [0,2,0,0,0,0|1,0,0]=3 21623 B13R1.44 CSCCN(C)Cc1ccccn1 270004a_100000686725_100000209966 [0,2,0,0,0,0|1,0,0]=3 21624 B13R1.44 CSCCN(C)Cc1cccnn1 2230a_100000686725_100016990269 [0,2,0,0,0,0|2,0,0]=4 21625 B13R1.44 CSCCN(C)Cc1cnccn1 2230a_100000686725_100016995436 [0,2,0,0,0,0|2,0,0]=4 21626 B13R1.44 CSCCN(C)Cc1cnccn1 2230a_100011269079_100000751147 [0,2,0,0,0,0|2,0,0]=4 21627 B13R1.44 CSCCN(C)Cc1cnccn1 269982a_100000686725_100016995436 [0,2,0,0,0,0|2,0,0]=4 21628 B13R1.44 CSCCN(C)Cc1cnccn1 269982a_100011269079_100000212216 [0,2,0,0,0,0|2,0,0]=4 21629 B13R1.44 CSCCN(C)Cc1cnccn1 270004a_100000686725_100000749867 [0,2,0,0,0,0|2,0,0]=4 21630 B13R1.44 CSCCN(C)Cc1ncccn1 2230a_100000686725_100000703007 [0,2,0,0,0,0|2,0,0]=4 21631 B13R1.44 CSCCN(C)Cc1ncccn1 2230a_100025716638_100000751147 [0,2,0,0,0,0|2,0,0]=4 21632 B13R1.44 CSCCN(C)Cc1ncccn1 269982a_100000686725_100000703007 [0,2,0,0,0,0|2,0,0]=4 21633 B13R1.44 CSCCN(C)Cc1ncccn1 269982a_100025716638_100000212216 [0,2,0,0,0,0|2,0,0]=4 21634 B13R1.44 CSCCN(C)Cc1ncccn1 270004a_100000686725_100011532527 [0,2,0,0,0,0|2,0,0]=4 21635 B13R1.44 CSCNC(C)Cc1ccccn1 2230a_100000238496_100011218213 [0,2,0,0,0,0|1,0,0]=3 21636 B13R1.44 CSCNC(C)Cc1cnccn1 2230a_100011277835_100011218213 [0,2,0,0,0,0|2,0,0]=4 21637 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,2,0,0,0,0|2,0,0]=4 21638 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [0,2,0,0,0,0|2,0,0]=4 21639 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [0,2,0,0,0,0|2,0,0]=4 21640 B13R1.44 N#CCCC(=O)Cc1ccccn1 1458a_100000233486_100011215226 [0,2,0,0,0,0|0,0,2]=4 21641 B13R1.44 N#CCCC(=O)Cc1ccccn1 1458a_100011934036_100000721315 [0,2,0,0,0,0|0,0,2]=4 21642 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,2,0,0,0,0|2,0,0]=4 21643 B13R1.44 O=C(CCCF)Cc1ccccn1 1458a_100000233486_100011934791 [0,2,0,0,0,0|0,0,1]=3 21644 B13R1.44 O=C(CCCO)Cc1ccccn1 1458a_100000233486_100011215043 [0,2,0,0,0,0|0,0,1]=3 21645 B13R1.44 O=C(Cc1ccccn1)NCCF 11a_100000724931_100000233486 [0,2,0,0,0,0|1,0,1]=4 21646 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100000729385_100015361967 [0,2,0,0,0,0|2,0,0]=4 21647 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100015361967_100000729385 [0,2,0,0,0,0|2,0,0]=4 21648 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [0,2,0,0,0,0|2,0,0]=4 21649 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [0,2,0,0,0,0|2,0,0]=4 21650 B13R1.44 [13CH3]N(CCCO)Cc1ccccn1 2230a_100000200612_200025704644 [0,2,0,0,0,0|1,0,0]=3 21651 B13R1.44 [13CH3]N(CCCO)Cc1ccccn1 269982a_100000200612_200025704644 [0,2,0,0,0,0|1,0,0]=3 21652 B13R1.337 C=C(Br)CCOCc1ccccn1 34a_100009813270_100000721315 [0,2,0,0,0,0|0,0,2]=4 21653 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [0,2,0,0,0,0|1,0,1]=4 21654 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [0,2,0,0,0,0|1,0,1]=4 21655 B13R1.337 C=C(C)CCNCc1cccnn1 2230a_100159270163_100000730704 [0,2,0,0,0,0|1,0,1]=4 21656 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,2,0,0,0,0|1,0,1]=4 21657 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,2,0,0,0,0|1,0,1]=4 21658 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,2,0,0,0,0|1,0,1]=4 21659 B13R1.337 C=C(C)CCOCc1ccccn1 34a_100000764851_100000721315 [0,2,0,0,0,0|0,0,1]=3 21660 B13R1.337 C=C(C)CCOCc1cccnn1 34a_100000764851_100016990269 [0,2,0,0,0,0|1,0,1]=4 21661 B13R1.337 C=C(C)CCOCc1cnccn1 34a_100000764851_100016995436 [0,2,0,0,0,0|1,0,1]=4 21662 B13R1.337 C=C(C)CCOCc1ncccn1 34a_100000764851_100000703007 [0,2,0,0,0,0|1,0,1]=4 21663 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [0,2,0,0,0,0|1,0,1]=4 21664 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [0,2,0,0,0,0|1,0,1]=4 21665 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000721315_100000730704 [0,2,0,0,0,0|0,0,1]=3 21666 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000730704_100000721315 [0,2,0,0,0,0|0,0,1]=3 21667 B13R1.337 C=C(C)CCSCc1cccnn1 62a_100000730704_100016990269 [0,2,0,0,0,0|1,0,1]=4 21668 B13R1.337 C=C(C)CCSCc1cccnn1 62a_100016990269_100000730704 [0,2,0,0,0,0|1,0,1]=4 21669 B13R1.337 C=C(C)CCSCc1cnccn1 62a_100000730704_100016995436 [0,2,0,0,0,0|1,0,1]=4 21670 B13R1.337 C=C(C)CCSCc1cnccn1 62a_100016995436_100000730704 [0,2,0,0,0,0|1,0,1]=4 21671 B13R1.337 C=C(C)CCSCc1ncccn1 62a_100000703007_100000730704 [0,2,0,0,0,0|1,0,1]=4 21672 B13R1.337 C=C(C)CCSCc1ncccn1 62a_100000730704_100000703007 [0,2,0,0,0,0|1,0,1]=4 21673 B13R1.337 C=C(C)CNCCc1ccccc1 2230a_100000106460_100000748629 [0,2,0,0,0,0|1,0,1]=4 21674 B13R1.337 C=C(C)CNCCc1ccccc1 34a_100000106460_100000748629 [0,2,0,0,0,0|1,0,1]=4 21675 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,2,0,0,0,0|1,0,1]=4 21676 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,2,0,0,0,0|1,0,1]=4 21677 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,2,0,0,0,0|1,0,1]=4 21678 B13R1.337 C=C(C)COCCc1ccccn1 34a_100000210271_100000748629 [0,2,0,0,0,0|0,0,1]=3 21679 B13R1.337 C=C(C)COCCc1cnccn1 34a_100011349526_100000748629 [0,2,0,0,0,0|1,0,1]=4 21680 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000748629_100011218657 [0,2,0,0,0,0|1,0,1]=4 21681 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000765856_100000211660 [0,2,0,0,0,0|1,0,1]=4 21682 B13R1.337 C=C(C)CSCCc1ccccn1 62a_100000748629_100015183660 [0,2,0,0,0,0|0,0,1]=3 21683 B13R1.337 C=C(C)CSCCc1ccccn1 62a_100015183660_100000211660 [0,2,0,0,0,0|0,0,1]=3 21684 B13R1.337 C=C(F)COCCc1ccccn1 34a_100000210271_100009893438 [0,2,0,0,0,0|0,0,2]=4 21685 B13R1.337 C=C(F)CSCCc1ccccn1 62a_100000042424_100015183660 [0,2,0,0,0,0|0,0,2]=4 21686 B13R1.337 C=C(F)CSCCc1ccccn1 62a_100015183660_100000042424 [0,2,0,0,0,0|0,0,2]=4 21687 B13R1.337 CC(=CCCSc1ccccn1)C 62a_100011216584_100011217483 [0,2,0,0,0,0|0,0,2]=4 21688 B13R1.337 CC(=CCCSc1ccccn1)C 62a_100011217483_100011216584 [0,2,0,0,0,0|0,0,2]=4 21689 B13R1.337 CC(=CCNCc1ccccn1)C 270004a_100000718196_100000209966 [0,2,0,0,0,0|0,0,2]=4 21690 B13R1.337 CC(=CCNCc1ccccn1)C 34a_100000718196_100000721315 [0,2,0,0,0,0|0,0,2]=4 21691 B13R1.337 CC(=CCOCc1ccccn1)C 34a_100000753907_100000721315 [0,2,0,0,0,0|0,0,2]=4 21692 B13R1.337 CC(=CCSCc1ccccn1)C 62a_100000721315_100000761012 [0,2,0,0,0,0|0,0,2]=4 21693 B13R1.337 CC(=CCSCc1ccccn1)C 62a_100000761012_100000721315 [0,2,0,0,0,0|0,0,2]=4 21694 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,2,0,0,0,0|1,0,0]=3 21695 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,2,0,0,0,0|1,0,0]=3 21696 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [0,2,0,0,0,0|2,0,0]=4 21697 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,2,0,0,0,0|1,0,1]=4 21698 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,2,0,0,0,0|1,0,1]=4 21699 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,2,0,0,0,0|1,0,1]=4 21700 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,2,0,0,0,0|1,0,1]=4 21701 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,2,0,0,0,0|1,0,1]=4 21702 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,2,0,0,0,0|1,0,1]=4 21703 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,2,0,0,0,0|1,0,1]=4 21704 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,2,0,0,0,0|1,0,1]=4 21705 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,2,0,0,0,0|1,0,1]=4 21706 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011215641_100011216584 [0,2,0,0,0,0|0,0,1]=3 21707 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011216584_100011215641 [0,2,0,0,0,0|0,0,1]=3 21708 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100011215641_100016991348 [0,2,0,0,0,0|1,0,1]=4 21709 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100016991348_100011215641 [0,2,0,0,0,0|1,0,1]=4 21710 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100000703185_100011215641 [0,2,0,0,0,0|1,0,1]=4 21711 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100011215641_100000703185 [0,2,0,0,0,0|1,0,1]=4 21712 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100000211759_100011215641 [0,2,0,0,0,0|1,0,1]=4 21713 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100011215641_100000211759 [0,2,0,0,0,0|1,0,1]=4 21714 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100000211032_100011215641 [0,2,0,0,0,0|1,0,1]=4 21715 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100011215641_100000211032 [0,2,0,0,0,0|1,0,1]=4 21716 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,2,0,0,0,0|1,0,1]=4 21717 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,2,0,0,0,0|1,0,1]=4 21718 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,2,0,0,0,0|1,0,1]=4 21719 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,2,0,0,0,0|1,0,1]=4 21720 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,2,0,0,0,0|1,0,1]=4 21721 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [0,2,0,0,0,0|0,0,1]=3 21722 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [0,2,0,0,0,0|0,0,1]=3 21723 B13R1.337 CC(=O)CCOCc1cccnn1 34a_100000759926_100016990269 [0,2,0,0,0,0|1,0,1]=4 21724 B13R1.337 CC(=O)CCOCc1cccnn1 7a_100000759926_100016990269 [0,2,0,0,0,0|1,0,1]=4 21725 B13R1.337 CC(=O)CCOCc1cnccn1 34a_100000759926_100016995436 [0,2,0,0,0,0|1,0,1]=4 21726 B13R1.337 CC(=O)CCOCc1cnccn1 7a_100000759926_100016995436 [0,2,0,0,0,0|1,0,1]=4 21727 B13R1.337 CC(=O)CCOCc1ncccn1 34a_100000759926_100000703007 [0,2,0,0,0,0|1,0,1]=4 21728 B13R1.337 CC(=O)CCOCc1ncccn1 7a_100000759926_100000703007 [0,2,0,0,0,0|1,0,1]=4 21729 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,2,0,0,0,0|1,0,1]=4 21730 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,2,0,0,0,0|1,0,1]=4 21731 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,2,0,0,0,0|1,0,1]=4 21732 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,2,0,0,0,0|1,0,1]=4 21733 B13R1.337 CC(=O)CCSCc1ccccn1 1458a_100000742633_200000210301 [0,2,0,0,0,0|0,0,1]=3 21734 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000053229_100000721315 [0,2,0,0,0,0|0,0,1]=3 21735 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000721315_100000053229 [0,2,0,0,0,0|0,0,1]=3 21736 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100000053229_100016990269 [0,2,0,0,0,0|1,0,1]=4 21737 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100016990269_100000053229 [0,2,0,0,0,0|1,0,1]=4 21738 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100000053229_100016995436 [0,2,0,0,0,0|1,0,1]=4 21739 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100016995436_100000053229 [0,2,0,0,0,0|1,0,1]=4 21740 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000053229_100000703007 [0,2,0,0,0,0|1,0,1]=4 21741 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000703007_100000053229 [0,2,0,0,0,0|1,0,1]=4 21742 B13R1.337 CC(=O)CCSSc1ccccn1 1458a_100000068049_200000210301 [0,2,0,0,0,0|1,0,1]=4 21743 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,2,0,0,0,0|1,0,1]=4 21744 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,2,0,0,0,0|1,0,1]=4 21745 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,2,0,0,0,0|1,0,1]=4 21746 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,2,0,0,0,0|1,0,1]=4 21747 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,2,0,0,0,0|1,0,1]=4 21748 B13R1.337 CC(=O)NCCCc1ccccn1 11a_100000689020_100015343762 [0,2,0,0,0,0|0,0,1]=3 21749 B13R1.337 CC(=O)NCCCc1ccccn1 1626a_100000689020_100015343762 [0,2,0,0,0,0|0,0,1]=3 21750 B13R1.337 CC(=O)NCCCc1ccccn1 240690a_100000689020_100015343762 [0,2,0,0,0,0|0,0,1]=3 21751 B13R1.337 CC(=O)NCCCc1ccccn1 527a_100000689020_100103153847 [0,2,0,0,0,0|0,0,1]=3 21752 B13R1.337 CC(=O)NCCOc1ccccn1 11a_106741647558_100015343762 [0,2,0,0,0,0|1,0,1]=4 21753 B13R1.337 CC(=O)NCCOc1ccccn1 1626a_106741647558_100015343762 [0,2,0,0,0,0|1,0,1]=4 21754 B13R1.337 CC(=O)NCCOc1ccccn1 240690a_106741647558_100015343762 [0,2,0,0,0,0|1,0,1]=4 21755 B13R1.337 CC(=O)NCCOc1ccccn1 527a_106741647558_100103153847 [0,2,0,0,0,0|1,0,1]=4 21756 B13R1.337 CC(=O)NCCSc1ccccn1 62a_100000189650_100011216584 [0,2,0,0,0,0|1,0,1]=4 21757 B13R1.337 CC(=O)NCCSc1ccccn1 62a_100011216584_100000189650 [0,2,0,0,0,0|1,0,1]=4 21758 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100009814007_100011216584 [0,2,0,0,0,0|1,0,1]=4 21759 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100011216584_100009814007 [0,2,0,0,0,0|1,0,1]=4 21760 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [0,2,0,0,0,0|1,0,1]=4 21761 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [0,2,0,0,0,0|1,0,1]=4 21762 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,2,0,0,0,0|1,0,0]=3 21763 B13R1.337 CC(Br)CCOCc1ccccn1 34a_100009893172_100000721315 [0,2,0,0,0,0|0,0,0]=2 21764 B13R1.337 CC(Br)CCOCc1cccnc1 34a_100009893172_100000733263 [0,2,0,0,0,0|2,0,0]=4 21765 B13R1.337 CC(Br)CCOCc1cccnn1 34a_100009893172_100016990269 [0,2,0,0,0,0|1,0,0]=3 21766 B13R1.337 CC(Br)CCOCc1cnccn1 34a_100009893172_100016995436 [0,2,0,0,0,0|1,0,0]=3 21767 B13R1.337 CC(Br)CCOCc1ncccn1 34a_100009893172_100000703007 [0,2,0,0,0,0|1,0,0]=3 21768 B13R1.337 CC(Br)COCCc1ccccc1 34a_100012180447_100000765856 [0,2,0,0,0,0|1,0,0]=3 21769 B13R1.337 CC(C)C=NNCc1ccccn1 4a_100000736832_100000210432 [0,2,0,0,0,0|1,0,1]=4 21770 B13R1.337 CC(C)CC=NNc1ccccn1 4a_100000183288_100000185833 [0,2,0,0,0,0|1,0,1]=4 21771 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [0,2,0,0,0,0|1,0,0]=3 21772 B13R1.337 CC(C)CCCNc1cccnn1 27a_200000737386_100016991348 [0,2,0,0,0,0|1,0,0]=3 21773 B13R1.337 CC(C)CCCNc1ccncn1 27a_200000737386_100000703185 [0,2,0,0,0,0|1,0,0]=3 21774 B13R1.337 CC(C)CCCNc1cnccn1 27a_200000737386_100000211759 [0,2,0,0,0,0|1,0,0]=3 21775 B13R1.337 CC(C)CCCNc1ncccn1 27a_200000737386_100000211032 [0,2,0,0,0,0|1,0,0]=3 21776 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [0,2,0,0,0,0|1,0,0]=3 21777 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [0,2,0,0,0,0|1,0,0]=3 21778 B13R1.337 CC(C)CCCOc1cccnc1 34a_100000210849_100011214892 [0,2,0,0,0,0|2,0,0]=4 21779 B13R1.337 CC(C)CCCOc1cccnc1 7a_100000210849_100011214892 [0,2,0,0,0,0|2,0,0]=4 21780 B13R1.337 CC(C)CCCOc1ccncc1 34a_100000212176_100011214892 [0,2,0,0,0,0|2,0,0]=4 21781 B13R1.337 CC(C)CCCSc1ccccc1 62a_100000719477_100011214892 [0,2,0,0,0,0|1,0,0]=3 21782 B13R1.337 CC(C)CCCSc1ccccc1 62a_100011214892_100000041952 [0,2,0,0,0,0|1,0,0]=3 21783 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011214892_100011216584 [0,2,0,0,0,0|0,0,0]=2 21784 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011216584_100011214892 [0,2,0,0,0,0|0,0,0]=2 21785 B13R1.337 CC(C)CCCSc1cccnc1 62a_100000210063_100011214892 [0,2,0,0,0,0|2,0,0]=4 21786 B13R1.337 CC(C)CCCSc1cccnc1 62a_100011214892_100000210063 [0,2,0,0,0,0|2,0,0]=4 21787 B13R1.337 CC(C)CCCSc1cccnn1 62a_100011214892_100016991348 [0,2,0,0,0,0|1,0,0]=3 21788 B13R1.337 CC(C)CCCSc1cccnn1 62a_100016991348_100011214892 [0,2,0,0,0,0|1,0,0]=3 21789 B13R1.337 CC(C)CCCSc1ccncc1 62a_100000728582_100011214892 [0,2,0,0,0,0|2,0,0]=4 21790 B13R1.337 CC(C)CCCSc1ccncc1 62a_100011214892_100000728582 [0,2,0,0,0,0|2,0,0]=4 21791 B13R1.337 CC(C)CCCSc1ccncn1 62a_100000703185_100011214892 [0,2,0,0,0,0|1,0,0]=3 21792 B13R1.337 CC(C)CCCSc1ccncn1 62a_100011214892_100000703185 [0,2,0,0,0,0|1,0,0]=3 21793 B13R1.337 CC(C)CCCSc1cnccn1 62a_100000211759_100011214892 [0,2,0,0,0,0|1,0,0]=3 21794 B13R1.337 CC(C)CCCSc1cnccn1 62a_100011214892_100000211759 [0,2,0,0,0,0|1,0,0]=3 21795 B13R1.337 CC(C)CCCSc1ncccn1 62a_100000211032_100011214892 [0,2,0,0,0,0|1,0,0]=3 21796 B13R1.337 CC(C)CCCSc1ncccn1 62a_100011214892_100000211032 [0,2,0,0,0,0|1,0,0]=3 21797 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [0,2,0,0,0,0|1,0,0]=3 21798 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [0,2,0,0,0,0|1,0,0]=3 21799 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [0,2,0,0,0,0|1,0,0]=3 21800 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [0,2,0,0,0,0|1,0,0]=3 21801 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [0,2,0,0,0,0|1,0,0]=3 21802 B13R1.337 CC(C)CCNCc1ccccn1 207a_100000210545_100000209966 [0,2,0,0,0,0|0,0,0]=2 21803 B13R1.337 CC(C)CCNCc1ccccn1 270004a_100000210545_100000209966 [0,2,0,0,0,0|0,0,0]=2 21804 B13R1.337 CC(C)CCNCc1cccnc1 207a_100000210545_100000209961 [0,2,0,0,0,0|2,0,0]=4 21805 B13R1.337 CC(C)CCNCc1cccnc1 269862a_100000210453_100000185833 [0,2,0,0,0,0|2,0,0]=4 21806 B13R1.337 CC(C)CCNCc1cccnc1 270004a_100000210545_100000209961 [0,2,0,0,0,0|2,0,0]=4 21807 B13R1.337 CC(C)CCNCc1cccnn1 2230a_100159270163_100000210312 [0,2,0,0,0,0|1,0,0]=3 21808 B13R1.337 CC(C)CCNCc1cccnn1 269862a_100159270163_100000185833 [0,2,0,0,0,0|1,0,0]=3 21809 B13R1.337 CC(C)CCNCc1ccncc1 207a_100000210545_100000186114 [0,2,0,0,0,0|2,0,0]=4 21810 B13R1.337 CC(C)CCNCc1ccncc1 269862a_100000210450_100000185833 [0,2,0,0,0,0|2,0,0]=4 21811 B13R1.337 CC(C)CCNCc1cnccn1 270004a_100000210545_100000749867 [0,2,0,0,0,0|1,0,0]=3 21812 B13R1.337 CC(C)CCNCc1ncccn1 270004a_100000210545_100011532527 [0,2,0,0,0,0|1,0,0]=3 21813 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,2,0,0,0,0|1,0,0]=3 21814 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,2,0,0,0,0|1,0,0]=3 21815 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,2,0,0,0,0|1,0,0]=3 21816 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,2,0,0,0,0|1,0,0]=3 21817 B13R1.337 CC(C)CCOCc1ccccn1 34a_100000210254_100000721315 [0,2,0,0,0,0|0,0,0]=2 21818 B13R1.337 CC(C)CCOCc1ccccn1 7a_100000210254_100000721315 [0,2,0,0,0,0|0,0,0]=2 21819 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [0,2,0,0,0,0|2,0,0]=4 21820 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [0,2,0,0,0,0|2,0,0]=4 21821 B13R1.337 CC(C)CCOCc1cccnn1 34a_100000210254_100016990269 [0,2,0,0,0,0|1,0,0]=3 21822 B13R1.337 CC(C)CCOCc1cccnn1 7a_100000210254_100016990269 [0,2,0,0,0,0|1,0,0]=3 21823 B13R1.337 CC(C)CCOCc1ccncc1 7a_100000210254_100015193705 [0,2,0,0,0,0|2,0,0]=4 21824 B13R1.337 CC(C)CCOCc1cnccn1 34a_100000210254_100016995436 [0,2,0,0,0,0|1,0,0]=3 21825 B13R1.337 CC(C)CCOCc1cnccn1 7a_100000210254_100016995436 [0,2,0,0,0,0|1,0,0]=3 21826 B13R1.337 CC(C)CCOCc1ncccn1 34a_100000210254_100000703007 [0,2,0,0,0,0|1,0,0]=3 21827 B13R1.337 CC(C)CCOCc1ncccn1 7a_100000210254_100000703007 [0,2,0,0,0,0|1,0,0]=3 21828 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [0,2,0,0,0,0|1,0,0]=3 21829 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [0,2,0,0,0,0|1,0,0]=3 21830 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000210312_100000721315 [0,2,0,0,0,0|0,0,0]=2 21831 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000721315_100000210312 [0,2,0,0,0,0|0,0,0]=2 21832 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000210312_100000741622 [0,2,0,0,0,0|2,0,0]=4 21833 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000741622_100000210312 [0,2,0,0,0,0|2,0,0]=4 21834 B13R1.337 CC(C)CCSCc1cccnn1 62a_100000210312_100016990269 [0,2,0,0,0,0|1,0,0]=3 21835 B13R1.337 CC(C)CCSCc1cccnn1 62a_100016990269_100000210312 [0,2,0,0,0,0|1,0,0]=3 21836 B13R1.337 CC(C)CCSCc1ccncc1 62a_100000210312_100015193705 [0,2,0,0,0,0|2,0,0]=4 21837 B13R1.337 CC(C)CCSCc1ccncc1 62a_100015193705_100000210312 [0,2,0,0,0,0|2,0,0]=4 21838 B13R1.337 CC(C)CCSCc1cnccn1 62a_100000210312_100016995436 [0,2,0,0,0,0|1,0,0]=3 21839 B13R1.337 CC(C)CCSCc1cnccn1 62a_100016995436_100000210312 [0,2,0,0,0,0|1,0,0]=3 21840 B13R1.337 CC(C)CCSCc1ncccn1 62a_100000210312_100000703007 [0,2,0,0,0,0|1,0,0]=3 21841 B13R1.337 CC(C)CCSCc1ncccn1 62a_100000703007_100000210312 [0,2,0,0,0,0|1,0,0]=3 21842 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [0,2,0,0,0,0|1,0,0]=3 21843 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [0,2,0,0,0,0|1,0,0]=3 21844 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [0,2,0,0,0,0|1,0,0]=3 21845 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [0,2,0,0,0,0|1,0,0]=3 21846 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [0,2,0,0,0,0|1,0,0]=3 21847 B13R1.337 CC(C)CNCCc1ccccn1 2230a_100000210953_100015183660 [0,2,0,0,0,0|0,0,0]=2 21848 B13R1.337 CC(C)CNCCc1ccccn1 270004a_100000211156_100000210432 [0,2,0,0,0,0|0,0,0]=2 21849 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000210953_200011713674 [0,2,0,0,0,0|2,0,0]=4 21850 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000736294_100000210760 [0,2,0,0,0,0|2,0,0]=4 21851 B13R1.337 CC(C)CNCCc1cccnc1 270004a_100000736294_100000210432 [0,2,0,0,0,0|2,0,0]=4 21852 B13R1.337 CC(C)CNCCc1ccncc1 2230a_100000210953_100000723409 [0,2,0,0,0,0|2,0,0]=4 21853 B13R1.337 CC(C)CNCCc1ccncc1 270004a_100000742849_100000210432 [0,2,0,0,0,0|2,0,0]=4 21854 B13R1.337 CC(C)CNCCc1cnccn1 270004a_100000723456_100000210432 [0,2,0,0,0,0|1,0,0]=3 21855 B13R1.337 CC(C)CNCSc1ccccc1 2230a_100000210953_100011218342 [0,2,0,0,0,0|2,0,0]=4 21856 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [0,2,0,0,0,0|1,0,0]=3 21857 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [0,2,0,0,0,0|1,0,0]=3 21858 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [0,2,0,0,0,0|1,0,0]=3 21859 B13R1.337 CC(C)COCCc1ccccn1 34a_100000210271_100000210624 [0,2,0,0,0,0|0,0,0]=2 21860 B13R1.337 CC(C)COCCc1cccnc1 34a_100011217484_100000210624 [0,2,0,0,0,0|2,0,0]=4 21861 B13R1.337 CC(C)COCCc1ccncc1 34a_100011216225_100000210624 [0,2,0,0,0,0|2,0,0]=4 21862 B13R1.337 CC(C)COCCc1cnccn1 34a_100011349526_100000210624 [0,2,0,0,0,0|1,0,0]=3 21863 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [0,2,0,0,0,0|1,0,0]=3 21864 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [0,2,0,0,0,0|1,0,0]=3 21865 B13R1.337 CC(C)CSCCc1ccccn1 62a_100000210624_100015183660 [0,2,0,0,0,0|0,0,0]=2 21866 B13R1.337 CC(C)CSCCc1ccccn1 62a_100015183660_100000210760 [0,2,0,0,0,0|0,0,0]=2 21867 B13R1.337 CC(C)CSCCc1cccnc1 62a_100000210624_200011713674 [0,2,0,0,0,0|2,0,0]=4 21868 B13R1.337 CC(C)CSCCc1cccnc1 62a_200011713674_100000210760 [0,2,0,0,0,0|2,0,0]=4 21869 B13R1.337 CC(C)CSCCc1ccncc1 62a_100000210624_100000723409 [0,2,0,0,0,0|2,0,0]=4 21870 B13R1.337 CC(C)CSCCc1ccncc1 62a_100000723409_100000210760 [0,2,0,0,0,0|2,0,0]=4 21871 B13R1.337 CC(C)CSCSc1ccccc1 62a_100000210624_100011218342 [0,2,0,0,0,0|2,0,0]=4 21872 B13R1.337 CC(C)CSCSc1ccccc1 62a_100011218342_100000210760 [0,2,0,0,0,0|2,0,0]=4 21873 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100000211184_100000210206 [0,2,0,0,0,0|1,0,0]=3 21874 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100138425928_100000211621 [0,2,0,0,0,0|1,0,0]=3 21875 B13R1.337 CC(C)NCCCc1ccccc1 34a_100000211184_100000210206 [0,2,0,0,0,0|1,0,0]=3 21876 B13R1.337 CC(C)NCCCc1ccccc1 34a_100138425928_100000211621 [0,2,0,0,0,0|1,0,0]=3 21877 B13R1.337 CC(C)NCCCc1cccnc1 2230a_100011532358_100000210206 [0,2,0,0,0,0|2,0,0]=4 21878 B13R1.337 CC(C)NCCCc1cccnc1 34a_100011532358_100000210206 [0,2,0,0,0,0|2,0,0]=4 21879 B13R1.337 CC(C)NCCCc1ccncc1 2230a_100011275580_100000210206 [0,2,0,0,0,0|2,0,0]=4 21880 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100000174943_100000210206 [0,2,0,0,0,0|2,0,0]=4 21881 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100138425928_100000184471 [0,2,0,0,0,0|2,0,0]=4 21882 B13R1.337 CC(C)NCCOc1ccccc1 34a_100000174943_100000210206 [0,2,0,0,0,0|2,0,0]=4 21883 B13R1.337 CC(C)NCCOc1ccccc1 34a_100138425928_100000184471 [0,2,0,0,0,0|2,0,0]=4 21884 B13R1.337 CC(C)NCCOc1ccccn1 2230a_106741647558_100000210206 [0,2,0,0,0,0|1,0,0]=3 21885 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100000189519_100000210206 [0,2,0,0,0,0|2,0,0]=4 21886 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100138425928_100000246102 [0,2,0,0,0,0|2,0,0]=4 21887 B13R1.337 CC(C)NCCSc1ccccc1 34a_100138425928_100000246102 [0,2,0,0,0,0|2,0,0]=4 21888 B13R1.337 CC(C)NCOCc1ccccc1 2230a_100138425928_100000763385 [0,2,0,0,0,0|2,0,0]=4 21889 B13R1.337 CC(C)NCOCc1ccccc1 34a_100138425928_100000763385 [0,2,0,0,0,0|2,0,0]=4 21890 B13R1.337 CC(C)NCSCc1ccccc1 2230a_100138425928_200011217039 [0,2,0,0,0,0|2,0,0]=4 21891 B13R1.337 CC(C)NCSCc1ccccc1 34a_100138425928_200011217039 [0,2,0,0,0,0|2,0,0]=4 21892 B13R1.337 CC(C)OCC#Cc1ccccn1 34a_100011894333_100000210206 [0,2,0,0,0,0|0,0,2]=4 21893 B13R1.337 CC(C)OCCCC1=CCC=CC1 34a_100020667889_100000210206 [0,2,0,0,0,0|1,0,1]=4 21894 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [0,2,0,0,0,0|1,0,0]=3 21895 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [0,2,0,0,0,0|1,0,0]=3 21896 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [0,2,0,0,0,0|1,0,0]=3 21897 B13R1.337 CC(C)OCCCc1ccccn1 34a_100011215068_100000210206 [0,2,0,0,0,0|0,0,0]=2 21898 B13R1.337 CC(C)OCCCc1cccnc1 34a_100000211284_100000210206 [0,2,0,0,0,0|2,0,0]=4 21899 B13R1.337 CC(C)OCCCc1ccncc1 34a_100000210659_100000210206 [0,2,0,0,0,0|2,0,0]=4 21900 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000106764_100000211751 [0,2,0,0,0,0|2,0,0]=4 21901 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000211345_100000210206 [0,2,0,0,0,0|2,0,0]=4 21902 B13R1.337 CC(C)OCCNc1cccnn1 27a_100000701111_100016991348 [0,2,0,0,0,0|2,0,0]=4 21903 B13R1.337 CC(C)OCCNc1ccncn1 27a_100000701111_100000703185 [0,2,0,0,0,0|2,0,0]=4 21904 B13R1.337 CC(C)OCCNc1cnccn1 27a_100000701111_100000211759 [0,2,0,0,0,0|2,0,0]=4 21905 B13R1.337 CC(C)OCCNc1ncccn1 27a_100000701111_100000211032 [0,2,0,0,0,0|2,0,0]=4 21906 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210260_100000210206 [0,2,0,0,0,0|2,0,0]=4 21907 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210340_100000211751 [0,2,0,0,0,0|2,0,0]=4 21908 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000212225_100000184471 [0,2,0,0,0,0|2,0,0]=4 21909 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210260_100000210206 [0,2,0,0,0,0|2,0,0]=4 21910 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210340_100000211751 [0,2,0,0,0,0|2,0,0]=4 21911 B13R1.337 CC(C)OCCSc1ccccc1 34a_100000212225_100000246102 [0,2,0,0,0,0|2,0,0]=4 21912 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000211751_100000041952 [0,2,0,0,0,0|2,0,0]=4 21913 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000719477_100000211751 [0,2,0,0,0,0|2,0,0]=4 21914 B13R1.337 CC(C)OCCSc1ccccc1 7a_100000230494_100000210206 [0,2,0,0,0,0|2,0,0]=4 21915 B13R1.337 CC(C)OCCSc1ccccn1 62a_100000211751_100011216584 [0,2,0,0,0,0|1,0,0]=3 21916 B13R1.337 CC(C)OCCSc1ccccn1 62a_100011216584_100000211751 [0,2,0,0,0,0|1,0,0]=3 21917 B13R1.337 CC(C)OCCSc1ccccn1 7a_100000156319_100000210206 [0,2,0,0,0,0|1,0,0]=3 21918 B13R1.337 CC(C)OCCSc1cccnn1 62a_100000211751_100016991348 [0,2,0,0,0,0|2,0,0]=4 21919 B13R1.337 CC(C)OCCSc1cccnn1 62a_100016991348_100000211751 [0,2,0,0,0,0|2,0,0]=4 21920 B13R1.337 CC(C)OCCSc1ccncn1 62a_100000211751_100000703185 [0,2,0,0,0,0|2,0,0]=4 21921 B13R1.337 CC(C)OCCSc1ccncn1 62a_100000703185_100000211751 [0,2,0,0,0,0|2,0,0]=4 21922 B13R1.337 CC(C)OCCSc1cnccn1 62a_100000211751_100000211759 [0,2,0,0,0,0|2,0,0]=4 21923 B13R1.337 CC(C)OCCSc1cnccn1 62a_100000211759_100000211751 [0,2,0,0,0,0|2,0,0]=4 21924 B13R1.337 CC(C)OCCSc1ncccn1 62a_100000211032_100000211751 [0,2,0,0,0,0|2,0,0]=4 21925 B13R1.337 CC(C)OCCSc1ncccn1 62a_100000211751_100000211032 [0,2,0,0,0,0|2,0,0]=4 21926 B13R1.337 CC(C)OCNCc1ccccc1 2230a_100015324214_100000709892 [0,2,0,0,0,0|2,0,0]=4 21927 B13R1.337 CC(C)OCNCc1ccccc1 34a_100015324214_100000709892 [0,2,0,0,0,0|2,0,0]=4 21928 B13R1.337 CC(C)OCNCc1cccnn1 2230a_100159270163_100000709892 [0,2,0,0,0,0|2,0,0]=4 21929 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000210790_100000709892 [0,2,0,0,0,0|2,0,0]=4 21930 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000212225_100000763385 [0,2,0,0,0,0|2,0,0]=4 21931 B13R1.337 CC(C)OCSCc1ccccc1 34a_100000212225_200011217039 [0,2,0,0,0,0|2,0,0]=4 21932 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000211182_100000709892 [0,2,0,0,0,0|2,0,0]=4 21933 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000709892_100015291786 [0,2,0,0,0,0|2,0,0]=4 21934 B13R1.337 CC(C)OCSCc1ccccn1 62a_100000709892_100000721315 [0,2,0,0,0,0|1,0,0]=3 21935 B13R1.337 CC(C)OCSCc1ccccn1 62a_100000721315_100000709892 [0,2,0,0,0,0|1,0,0]=3 21936 B13R1.337 CC(C)OCSCc1cccnn1 62a_100000709892_100016990269 [0,2,0,0,0,0|2,0,0]=4 21937 B13R1.337 CC(C)OCSCc1cccnn1 62a_100016990269_100000709892 [0,2,0,0,0,0|2,0,0]=4 21938 B13R1.337 CC(C)OCSCc1cnccn1 62a_100000709892_100016995436 [0,2,0,0,0,0|2,0,0]=4 21939 B13R1.337 CC(C)OCSCc1cnccn1 62a_100016995436_100000709892 [0,2,0,0,0,0|2,0,0]=4 21940 B13R1.337 CC(C)OCSCc1ncccn1 62a_100000703007_100000709892 [0,2,0,0,0,0|2,0,0]=4 21941 B13R1.337 CC(C)OCSCc1ncccn1 62a_100000709892_100000703007 [0,2,0,0,0,0|2,0,0]=4 21942 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000210206_100000211621 [0,2,0,0,0,0|1,0,0]=3 21943 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000211621_100000210206 [0,2,0,0,0,0|1,0,0]=3 21944 B13R1.337 CC(C)SCCNc1ccccc1 34a_100000106764_100000730970 [0,2,0,0,0,0|2,0,0]=4 21945 B13R1.337 CC(C)SCCNc1cccnn1 27a_100000731138_100016991348 [0,2,0,0,0,0|2,0,0]=4 21946 B13R1.337 CC(C)SCCNc1ccncn1 27a_100000731138_100000703185 [0,2,0,0,0,0|2,0,0]=4 21947 B13R1.337 CC(C)SCCNc1cnccn1 27a_100000731138_100000211759 [0,2,0,0,0,0|2,0,0]=4 21948 B13R1.337 CC(C)SCCNc1ncccn1 27a_100000731138_100000211032 [0,2,0,0,0,0|2,0,0]=4 21949 B13R1.337 CC(C)SCCOc1ccccc1 34a_100000210340_100000730970 [0,2,0,0,0,0|2,0,0]=4 21950 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000184471_100000210206 [0,2,0,0,0,0|2,0,0]=4 21951 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000210206_100000184471 [0,2,0,0,0,0|2,0,0]=4 21952 B13R1.337 CC(C)SCCOc1ccccc1 7a_100000210340_100000730970 [0,2,0,0,0,0|2,0,0]=4 21953 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000210206_100000246102 [0,2,0,0,0,0|2,0,0]=4 21954 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000246102_100000210206 [0,2,0,0,0,0|2,0,0]=4 21955 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000719477_100000730970 [0,2,0,0,0,0|2,0,0]=4 21956 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000730970_100000041952 [0,2,0,0,0,0|2,0,0]=4 21957 B13R1.337 CC(C)SCCSc1ccccn1 62a_100000730970_100011216584 [0,2,0,0,0,0|1,0,0]=3 21958 B13R1.337 CC(C)SCCSc1ccccn1 62a_100011216584_100000730970 [0,2,0,0,0,0|1,0,0]=3 21959 B13R1.337 CC(C)SCCSc1cccnn1 62a_100000730970_100016991348 [0,2,0,0,0,0|2,0,0]=4 21960 B13R1.337 CC(C)SCCSc1cccnn1 62a_100016991348_100000730970 [0,2,0,0,0,0|2,0,0]=4 21961 B13R1.337 CC(C)SCCSc1ccncn1 62a_100000703185_100000730970 [0,2,0,0,0,0|2,0,0]=4 21962 B13R1.337 CC(C)SCCSc1ccncn1 62a_100000730970_100000703185 [0,2,0,0,0,0|2,0,0]=4 21963 B13R1.337 CC(C)SCCSc1cnccn1 62a_100000211759_100000730970 [0,2,0,0,0,0|2,0,0]=4 21964 B13R1.337 CC(C)SCCSc1cnccn1 62a_100000730970_100000211759 [0,2,0,0,0,0|2,0,0]=4 21965 B13R1.337 CC(C)SCCSc1ncccn1 62a_100000211032_100000730970 [0,2,0,0,0,0|2,0,0]=4 21966 B13R1.337 CC(C)SCCSc1ncccn1 62a_100000730970_100000211032 [0,2,0,0,0,0|2,0,0]=4 21967 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000210206_100000763385 [0,2,0,0,0,0|2,0,0]=4 21968 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000763385_100000210206 [0,2,0,0,0,0|2,0,0]=4 21969 B13R1.337 CC(C)SCSCc1ccccc1 62a_100000210206_200011217039 [0,2,0,0,0,0|2,0,0]=4 21970 B13R1.337 CC(C)SCSCc1ccccc1 62a_200011217039_100000210206 [0,2,0,0,0,0|2,0,0]=4 21971 B13R1.337 CC(F)COCCc1ccccc1 34a_100015925927_100000765856 [0,2,0,0,0,0|1,0,0]=3 21972 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [0,2,0,0,0,0|1,0,0]=3 21973 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,2,0,0,0,0|1,0,0]=3 21974 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,2,0,0,0,0|1,0,0]=3 21975 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,2,0,0,0,0|2,0,0]=4 21976 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,2,0,0,0,0|2,0,0]=4 21977 B13R1.337 CC(O)CCCOc1ccncc1 34a_100000212176_200000718107 [0,2,0,0,0,0|2,0,0]=4 21978 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [0,2,0,0,0,0|1,0,0]=3 21979 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [0,2,0,0,0,0|1,0,0]=3 21980 B13R1.337 CC(O)CCCSc1ccccn1 62a_100011216584_200000718107 [0,2,0,0,0,0|0,0,0]=2 21981 B13R1.337 CC(O)CCCSc1ccccn1 62a_200000718107_100011216584 [0,2,0,0,0,0|0,0,0]=2 21982 B13R1.337 CC(O)CCCSc1cccnc1 62a_100000210063_200000718107 [0,2,0,0,0,0|2,0,0]=4 21983 B13R1.337 CC(O)CCCSc1cccnc1 62a_200000718107_100000210063 [0,2,0,0,0,0|2,0,0]=4 21984 B13R1.337 CC(O)CCCSc1cccnn1 62a_100016991348_200000718107 [0,2,0,0,0,0|1,0,0]=3 21985 B13R1.337 CC(O)CCCSc1cccnn1 62a_200000718107_100016991348 [0,2,0,0,0,0|1,0,0]=3 21986 B13R1.337 CC(O)CCCSc1ccncc1 62a_100000728582_200000718107 [0,2,0,0,0,0|2,0,0]=4 21987 B13R1.337 CC(O)CCCSc1ccncc1 62a_200000718107_100000728582 [0,2,0,0,0,0|2,0,0]=4 21988 B13R1.337 CC(O)CCCSc1ccncn1 62a_100000703185_200000718107 [0,2,0,0,0,0|1,0,0]=3 21989 B13R1.337 CC(O)CCCSc1ccncn1 62a_200000718107_100000703185 [0,2,0,0,0,0|1,0,0]=3 21990 B13R1.337 CC(O)CCCSc1cnccn1 62a_100000211759_200000718107 [0,2,0,0,0,0|1,0,0]=3 21991 B13R1.337 CC(O)CCCSc1cnccn1 62a_200000718107_100000211759 [0,2,0,0,0,0|1,0,0]=3 21992 B13R1.337 CC(O)CCCSc1ncccn1 62a_100000211032_200000718107 [0,2,0,0,0,0|1,0,0]=3 21993 B13R1.337 CC(O)CCCSc1ncccn1 62a_200000718107_100000211032 [0,2,0,0,0,0|1,0,0]=3 21994 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,2,0,0,0,0|1,0,0]=3 21995 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,2,0,0,0,0|1,0,0]=3 21996 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,2,0,0,0,0|1,0,0]=3 21997 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,2,0,0,0,0|1,0,0]=3 21998 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,2,0,0,0,0|1,0,0]=3 21999 B13R1.337 CC(O)CCNCc1ccccn1 207a_200000755665_100000209966 [0,2,0,0,0,0|0,0,0]=2 22000 B13R1.337 CC(O)CCNCc1ccccn1 2230a_200000755665_100000721315 [0,2,0,0,0,0|0,0,0]=2 22001 B13R1.337 CC(O)CCNCc1ccccn1 270004a_200000755665_100000209966 [0,2,0,0,0,0|0,0,0]=2 22002 B13R1.337 CC(O)CCNCc1cccnc1 207a_200000755665_100000209961 [0,2,0,0,0,0|2,0,0]=4 22003 B13R1.337 CC(O)CCNCc1cccnc1 2230a_200000755665_100000741622 [0,2,0,0,0,0|2,0,0]=4 22004 B13R1.337 CC(O)CCNCc1cccnc1 270004a_200000755665_100000209961 [0,2,0,0,0,0|2,0,0]=4 22005 B13R1.337 CC(O)CCNCc1cccnn1 2230a_100159270163_100012276601 [0,2,0,0,0,0|1,0,0]=3 22006 B13R1.337 CC(O)CCNCc1cccnn1 2230a_200000755665_100016990269 [0,2,0,0,0,0|1,0,0]=3 22007 B13R1.337 CC(O)CCNCc1ccncc1 207a_200000755665_100000186114 [0,2,0,0,0,0|2,0,0]=4 22008 B13R1.337 CC(O)CCNCc1ccncc1 2230a_200000755665_100015193705 [0,2,0,0,0,0|2,0,0]=4 22009 B13R1.337 CC(O)CCNCc1cnccn1 2230a_200000755665_100016995436 [0,2,0,0,0,0|1,0,0]=3 22010 B13R1.337 CC(O)CCNCc1cnccn1 270004a_200000755665_100000749867 [0,2,0,0,0,0|1,0,0]=3 22011 B13R1.337 CC(O)CCNCc1ncccn1 2230a_200000755665_100000703007 [0,2,0,0,0,0|1,0,0]=3 22012 B13R1.337 CC(O)CCNCc1ncccn1 270004a_200000755665_100011532527 [0,2,0,0,0,0|1,0,0]=3 22013 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,2,0,0,0,0|1,0,0]=3 22014 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,2,0,0,0,0|1,0,0]=3 22015 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,2,0,0,0,0|1,0,0]=3 22016 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,2,0,0,0,0|1,0,0]=3 22017 B13R1.337 CC(O)CCSCc1ccccn1 62a_100000721315_100012276601 [0,2,0,0,0,0|0,0,0]=2 22018 B13R1.337 CC(O)CCSCc1ccccn1 62a_100012276601_100000721315 [0,2,0,0,0,0|0,0,0]=2 22019 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [0,2,0,0,0,0|2,0,0]=4 22020 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [0,2,0,0,0,0|2,0,0]=4 22021 B13R1.337 CC(O)CCSCc1cccnn1 62a_100012276601_100016990269 [0,2,0,0,0,0|1,0,0]=3 22022 B13R1.337 CC(O)CCSCc1cccnn1 62a_100016990269_100012276601 [0,2,0,0,0,0|1,0,0]=3 22023 B13R1.337 CC(O)CCSCc1ccncc1 62a_100012276601_100015193705 [0,2,0,0,0,0|2,0,0]=4 22024 B13R1.337 CC(O)CCSCc1ccncc1 62a_100015193705_100012276601 [0,2,0,0,0,0|2,0,0]=4 22025 B13R1.337 CC(O)CCSCc1cnccn1 62a_100012276601_100016995436 [0,2,0,0,0,0|1,0,0]=3 22026 B13R1.337 CC(O)CCSCc1cnccn1 62a_100016995436_100012276601 [0,2,0,0,0,0|1,0,0]=3 22027 B13R1.337 CC(O)CCSCc1ncccn1 62a_100000703007_100012276601 [0,2,0,0,0,0|1,0,0]=3 22028 B13R1.337 CC(O)CCSCc1ncccn1 62a_100012276601_100000703007 [0,2,0,0,0,0|1,0,0]=3 22029 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [0,2,0,0,0,0|1,0,0]=3 22030 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [0,2,0,0,0,0|1,0,0]=3 22031 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [0,2,0,0,0,0|1,0,0]=3 22032 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [0,2,0,0,0,0|1,0,0]=3 22033 B13R1.337 CC(O)CNCCc1ccccn1 2230a_100000210904_100015183660 [0,2,0,0,0,0|0,0,0]=2 22034 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [0,2,0,0,0,0|2,0,0]=4 22035 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [0,2,0,0,0,0|2,0,0]=4 22036 B13R1.337 CC(O)CNCCc1ccncc1 2230a_100000210904_100000723409 [0,2,0,0,0,0|2,0,0]=4 22037 B13R1.337 CC(O)CNCSc1ccccc1 2230a_100000210904_100011218342 [0,2,0,0,0,0|2,0,0]=4 22038 B13R1.337 CC(O)CNN=Cc1ccccn1 4a_200000730056_100000209966 [0,2,0,0,0,0|1,0,1]=4 22039 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,2,0,0,0,0|1,0,0]=3 22040 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,2,0,0,0,0|1,0,0]=3 22041 B13R1.337 CC(O)COCCc1ccccn1 34a_100000210271_100011218427 [0,2,0,0,0,0|0,0,0]=2 22042 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [0,2,0,0,0,0|2,0,0]=4 22043 B13R1.337 CC(O)COCCc1ccncc1 34a_100011216225_100011218427 [0,2,0,0,0,0|2,0,0]=4 22044 B13R1.337 CC(O)COCCc1cnccn1 34a_100011349526_100011218427 [0,2,0,0,0,0|1,0,0]=3 22045 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [0,2,0,0,0,0|1,0,0]=3 22046 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [0,2,0,0,0,0|1,0,0]=3 22047 B13R1.337 CC(O)CSCCc1ccccn1 62a_100011218427_100015183660 [0,2,0,0,0,0|0,0,0]=2 22048 B13R1.337 CC(O)CSCCc1ccccn1 62a_100015183660_100011218427 [0,2,0,0,0,0|0,0,0]=2 22049 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [0,2,0,0,0,0|2,0,0]=4 22050 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [0,2,0,0,0,0|2,0,0]=4 22051 B13R1.337 CC(O)CSCCc1ccncc1 62a_100000723409_100011218427 [0,2,0,0,0,0|2,0,0]=4 22052 B13R1.337 CC(O)CSCCc1ccncc1 62a_100011218427_100000723409 [0,2,0,0,0,0|2,0,0]=4 22053 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218342_100011218427 [0,2,0,0,0,0|2,0,0]=4 22054 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218427_100011218342 [0,2,0,0,0,0|2,0,0]=4 22055 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [0,2,0,0,0,0|1,0,0]=3 22056 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [0,2,0,0,0,0|1,0,0]=3 22057 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [0,2,0,0,0,0|1,0,0]=3 22058 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [0,2,0,0,0,0|1,0,0]=3 22059 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [0,2,0,0,0,0|1,0,0]=3 22060 B13R1.337 CN(C)CCCCc1ccncc1 2230a_100102631434_100020630000 [0,2,0,0,0,0|2,0,0]=4 22061 B13R1.337 CN(C)CCCCc1ccncc1 269982a_100102631434_100020630000 [0,2,0,0,0,0|2,0,0]=4 22062 B13R1.337 CN(C)CCCNc1cccnn1 27a_102531767803_100016991348 [0,2,0,0,0,0|2,0,0]=4 22063 B13R1.337 CN(C)CCCNc1ccncn1 27a_102531767803_100000703185 [0,2,0,0,0,0|2,0,0]=4 22064 B13R1.337 CN(C)CCCNc1cnccn1 27a_102531767803_100000211759 [0,2,0,0,0,0|2,0,0]=4 22065 B13R1.337 CN(C)CCCNc1ncccn1 27a_102531767803_100000211032 [0,2,0,0,0,0|2,0,0]=4 22066 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [0,2,0,0,0,0|2,0,0]=4 22067 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [0,2,0,0,0,0|2,0,0]=4 22068 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [0,2,0,0,0,0|2,0,0]=4 22069 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [0,2,0,0,0,0|2,0,0]=4 22070 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [0,2,0,0,0,0|2,0,0]=4 22071 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [0,2,0,0,0,0|2,0,0]=4 22072 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [0,2,0,0,0,0|2,0,0]=4 22073 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [0,2,0,0,0,0|2,0,0]=4 22074 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [0,2,0,0,0,0|2,0,0]=4 22075 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [0,2,0,0,0,0|2,0,0]=4 22076 B13R1.337 CN(C)CCCSc1ccccn1 62a_100011216584_100000757444 [0,2,0,0,0,0|1,0,0]=3 22077 B13R1.337 CN(C)CCCSc1cccnn1 62a_100016991348_100000757444 [0,2,0,0,0,0|2,0,0]=4 22078 B13R1.337 CN(C)CCCSc1ccncn1 62a_100000703185_100000757444 [0,2,0,0,0,0|2,0,0]=4 22079 B13R1.337 CN(C)CCCSc1cnccn1 62a_100000211759_100000757444 [0,2,0,0,0,0|2,0,0]=4 22080 B13R1.337 CN(C)CCCSc1ncccn1 62a_100000211032_100000757444 [0,2,0,0,0,0|2,0,0]=4 22081 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [0,2,0,0,0,0|2,0,0]=4 22082 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [0,2,0,0,0,0|2,0,0]=4 22083 B13R1.337 CN(C)CCNCc1ccccn1 207a_100000210585_100000209966 [0,2,0,0,0,0|1,0,0]=3 22084 B13R1.337 CN(C)CCNCc1ccccn1 270004a_100000210585_100000209966 [0,2,0,0,0,0|1,0,0]=3 22085 B13R1.337 CN(C)CCNCc1cnccn1 270004a_100000210585_100000749867 [0,2,0,0,0,0|2,0,0]=4 22086 B13R1.337 CN(C)CCNCc1ncccn1 270004a_100000210585_100011532527 [0,2,0,0,0,0|2,0,0]=4 22087 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,2,0,0,0,0|2,0,0]=4 22088 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,2,0,0,0,0|2,0,0]=4 22089 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,2,0,0,0,0|2,0,0]=4 22090 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,2,0,0,0,0|2,0,0]=4 22091 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,2,0,0,0,0|2,0,0]=4 22092 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [0,2,0,0,0,0|2,0,0]=4 22093 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [0,2,0,0,0,0|2,0,0]=4 22094 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [0,2,0,0,0,0|2,0,0]=4 22095 B13R1.337 CN(C)CCSCc1ccccn1 62a_100000721315_100000755713 [0,2,0,0,0,0|1,0,0]=3 22096 B13R1.337 CN(C)CCSCc1cccnn1 62a_100016990269_100000755713 [0,2,0,0,0,0|2,0,0]=4 22097 B13R1.337 CN(C)CCSCc1cnccn1 62a_100016995436_100000755713 [0,2,0,0,0,0|2,0,0]=4 22098 B13R1.337 CN(C)CCSCc1ncccn1 62a_100000703007_100000755713 [0,2,0,0,0,0|2,0,0]=4 22099 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [0,2,0,0,0,0|1,0,0]=3 22100 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [0,2,0,0,0,0|1,0,0]=3 22101 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [0,2,0,0,0,0|1,0,0]=3 22102 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [0,2,0,0,0,0|2,0,0]=4 22103 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [0,2,0,0,0,0|2,0,0]=4 22104 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [0,2,0,0,0,0|2,0,0]=4 22105 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [0,2,0,0,0,0|2,0,0]=4 22106 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,2,0,0,0,0|2,0,0]=4 22107 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,2,0,0,0,0|2,0,0]=4 22108 B13R1.337 CS(=O)CCCNc1cccnn1 27a_200000753449_100016991348 [0,2,0,0,0,0|2,0,0]=4 22109 B13R1.337 CS(=O)CCCNc1ccncn1 27a_200000753449_100000703185 [0,2,0,0,0,0|2,0,0]=4 22110 B13R1.337 CS(=O)CCCNc1cnccn1 27a_200000753449_100000211759 [0,2,0,0,0,0|2,0,0]=4 22111 B13R1.337 CS(=O)CCCNc1ncccn1 27a_200000753449_100000211032 [0,2,0,0,0,0|2,0,0]=4 22112 B13R1.337 C[C@@H](Cl)COCCc1ccccc1 34a_100016084084_100000765856 [0,2,0,0,0,0|1,0,0]=3 22113 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,2,0,0,0,0|1,0,0]=3 22114 B13R1.337 C[C@@H](N)CCOCc1ccccn1 34a_100000706166_100000721315 [0,2,0,0,0,0|0,0,0]=2 22115 B13R1.337 C[C@@H](N)CCOCc1cccnc1 34a_100000706166_100000733263 [0,2,0,0,0,0|2,0,0]=4 22116 B13R1.337 C[C@@H](N)CCOCc1cccnn1 34a_100000706166_100016990269 [0,2,0,0,0,0|1,0,0]=3 22117 B13R1.337 C[C@@H](N)CCOCc1cnccn1 34a_100000706166_100016995436 [0,2,0,0,0,0|1,0,0]=3 22118 B13R1.337 C[C@@H](N)CCOCc1ncccn1 34a_100000706166_100000703007 [0,2,0,0,0,0|1,0,0]=3 22119 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,2,0,0,0,0|1,0,0]=3 22120 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [0,2,0,0,0,0|1,0,0]=3 22121 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [0,2,0,0,0,0|1,0,0]=3 22122 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [0,2,0,0,0,0|2,0,0]=4 22123 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,2,0,0,0,0|1,0,0]=3 22124 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,2,0,0,0,0|1,0,0]=3 22125 B13R1.337 C[C@@H](O)COCCc1ccccn1 34a_100000210271_100009817552 [0,2,0,0,0,0|0,0,0]=2 22126 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [0,2,0,0,0,0|2,0,0]=4 22127 B13R1.337 C[C@@H](O)COCCc1ccncc1 34a_100011216225_100009817552 [0,2,0,0,0,0|2,0,0]=4 22128 B13R1.337 C[C@@H](O)COCCc1cnccn1 34a_100011349526_100009817552 [0,2,0,0,0,0|1,0,0]=3 22129 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [0,2,0,0,0,0|1,0,0]=3 22130 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [0,2,0,0,0,0|1,0,0]=3 22131 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100009817552_100015183660 [0,2,0,0,0,0|0,0,0]=2 22132 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100015183660_100009817552 [0,2,0,0,0,0|0,0,0]=2 22133 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [0,2,0,0,0,0|2,0,0]=4 22134 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [0,2,0,0,0,0|2,0,0]=4 22135 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100000723409_100009817552 [0,2,0,0,0,0|2,0,0]=4 22136 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100009817552_100000723409 [0,2,0,0,0,0|2,0,0]=4 22137 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100009817552_100011218342 [0,2,0,0,0,0|2,0,0]=4 22138 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100011218342_100009817552 [0,2,0,0,0,0|2,0,0]=4 22139 B13R1.337 FC(F)CCOCc1ccccc1 34a_100103093639_100015291786 [0,2,0,0,0,0|2,0,0]=4 22140 B13R1.337 FC(F)CCOCc1ccccn1 34a_100103093639_100000721315 [0,2,0,0,0,0|1,0,0]=3 22141 B13R1.337 FC(F)CCOCc1cccnn1 34a_100103093639_100016990269 [0,2,0,0,0,0|2,0,0]=4 22142 B13R1.337 FC(F)CCOCc1cnccn1 34a_100103093639_100016995436 [0,2,0,0,0,0|2,0,0]=4 22143 B13R1.337 FC(F)CCOCc1ncccn1 34a_100103093639_100000703007 [0,2,0,0,0,0|2,0,0]=4 22144 B13R1.337 FC(F)CNCCc1ccccc1 2230a_100000106460_100011934356 [0,2,0,0,0,0|2,0,0]=4 22145 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000106460_100011934356 [0,2,0,0,0,0|2,0,0]=4 22146 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000765723_100000765856 [0,2,0,0,0,0|2,0,0]=4 22147 B13R1.337 FC(F)COCCc1ccccc1 34a_100000210268_100011934356 [0,2,0,0,0,0|2,0,0]=4 22148 B13R1.337 FC(F)COCCc1ccccc1 34a_100000743014_100000765856 [0,2,0,0,0,0|2,0,0]=4 22149 B13R1.337 FC(F)COCCc1ccccc1 7a_100000210268_100011934356 [0,2,0,0,0,0|2,0,0]=4 22150 B13R1.337 FC(F)COCCc1ccccn1 34a_100000210271_100011934356 [0,2,0,0,0,0|1,0,0]=3 22151 B13R1.337 FC(F)COCCc1cnccn1 34a_100011349526_100011934356 [0,2,0,0,0,0|2,0,0]=4 22152 B13R1.337 FC(F)CSCCc1ccccc1 62a_100000765856_100011934356 [0,2,0,0,0,0|2,0,0]=4 22153 B13R1.337 FC(F)CSCCc1ccccc1 62a_100011934356_100011218657 [0,2,0,0,0,0|2,0,0]=4 22154 B13R1.337 FC(F)CSCCc1ccccn1 62a_100011934356_100015183660 [0,2,0,0,0,0|1,0,0]=3 22155 B13R1.337 FC(F)CSCCc1ccccn1 62a_100015183660_100011934356 [0,2,0,0,0,0|1,0,0]=3 22156 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100011216584_100102525003 [0,2,0,0,0,0|1,0,1]=4 22157 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100102525003_100011216584 [0,2,0,0,0,0|1,0,1]=4 22158 B13R1.337 NC(=O)CCNCc1ccccn1 207a_100000740010_100000209966 [0,2,0,0,0,0|1,0,1]=4 22159 B13R1.337 NC(=O)CCOCc1ccccn1 34a_100000757172_100000721315 [0,2,0,0,0,0|1,0,1]=4 22160 B13R1.337 NC(=O)CCOCc1ccccn1 7a_100000757172_100000721315 [0,2,0,0,0,0|1,0,1]=4 22161 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [0,2,0,0,0,0|1,0,1]=4 22162 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [0,2,0,0,0,0|1,0,1]=4 22163 B13R1.337 NC(=O)CNCCc1ccccn1 2230a_100000711301_100015183660 [0,2,0,0,0,0|1,0,1]=4 22164 B13R1.337 NC(=O)COCCc1ccccn1 34a_100000210271_100000187820 [0,2,0,0,0,0|1,0,1]=4 22165 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100000747473_100015183660 [0,2,0,0,0,0|1,0,1]=4 22166 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100015183660_100000747473 [0,2,0,0,0,0|1,0,1]=4 22167 B13R1.337 O=C(O)CNCCc1ccccn1 269956a_100016091260_100015183660 [0,2,0,0,0,0|1,0,1]=4 22168 B13R1.337 O=C([O-])COCCc1ccccn1 34a_100000210271_100020667443 [0,2,0,0,0,0|1,0,1]=4 22169 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100015183660_100020667443 [0,2,0,0,0,0|1,0,1]=4 22170 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100020667443_100015183660 [0,2,0,0,0,0|1,0,1]=4 22171 B13R1.337 O=[N+]([O-])COCCc1ccccn1 34a_100000210271_100000761209 [0,2,0,0,0,0|2,0,0]=4 22172 B13R1.337 O=[N+]([O-])CSCCc1ccccn1 62a_100015183660_100000761209 [0,2,0,0,0,0|2,0,0]=4 22173 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,2,0,0,0,0|1,0,0]=3 22174 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,2,0,0,0,0|1,0,1]=4 22175 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,2,0,0,0,0|1,0,1]=4 22176 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,2,0,0,0,0|1,0,1]=4 22177 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,2,0,0,0,0|1,0,1]=4 22178 B13R1.337 [13CH3]C(=O)CCSCc1ccccn1 1458a_100000742633_200025704644 [0,2,0,0,0,0|0,0,1]=3 22179 B13R1.337 [13CH3]C(=O)CCSSc1ccccn1 1458a_100000068049_200025704644 [0,2,0,0,0,0|1,0,1]=4 22180 B13R1.555 BrCCCOCc1ccccc1Br 34a_100011217188_100000184730 [0,2,0,0,0,0|2,0,0]=4 22181 B13R1.555 BrCCCOCc1ccccc1I 34a_100011217188_100011215278 [0,2,0,0,0,0|2,0,0]=4 22182 B13R1.555 BrCCCOCc1ncccc1Br 34a_100011217188_100025702911 [0,2,0,0,0,0|1,0,0]=3 22183 B13R1.555 BrCCOCCc1ccccc1Br 34a_100000211926_100012161201 [0,2,0,0,0,0|2,0,0]=4 22184 B13R1.555 C#CCCCNc1ncccc1Br 27a_100000718082_100000696092 [0,2,0,0,0,0|0,0,2]=4 22185 B13R1.555 C#CCCCOc1ncccc1Cl 34a_100011290957_100000695029 [0,2,0,0,0,0|0,0,2]=4 22186 B13R1.555 C#CCCCOc1ncccc1F 34a_100011219419_100000695029 [0,2,0,0,0,0|0,0,2]=4 22187 B13R1.555 C#CCCCOc1ncccc1N 34a_100000746358_100000695029 [0,2,0,0,0,0|0,0,2]=4 22188 B13R1.555 C#CCCCSc1ncccc1Br 62a_100000696092_100011215417 [0,2,0,0,0,0|0,0,2]=4 22189 B13R1.555 C#CCCCSc1ncccc1Br 62a_100011215417_100000696092 [0,2,0,0,0,0|0,0,2]=4 22190 B13R1.555 C#CCCCSc1ncccc1C 62a_100000751373_100011215417 [0,2,0,0,0,0|0,0,2]=4 22191 B13R1.555 C#CCCCSc1ncccc1C 62a_100011215417_100000751373 [0,2,0,0,0,0|0,0,2]=4 22192 B13R1.555 C#CCCCSc1ncccc1Cl 62a_100011215417_100011356963 [0,2,0,0,0,0|0,0,2]=4 22193 B13R1.555 C#CCCCSc1ncccc1Cl 62a_100011356963_100011215417 [0,2,0,0,0,0|0,0,2]=4 22194 B13R1.555 C#CCCCSc1ncccc1F 62a_100000685392_100011215417 [0,2,0,0,0,0|0,0,2]=4 22195 B13R1.555 C#CCCCSc1ncccc1F 62a_100011215417_100000685392 [0,2,0,0,0,0|0,0,2]=4 22196 B13R1.555 C#CCCCSc1ncccc1N 62a_100000688686_100011215417 [0,2,0,0,0,0|0,0,2]=4 22197 B13R1.555 C#CCCCSc1ncccc1N 62a_100011215417_100000688686 [0,2,0,0,0,0|0,0,2]=4 22198 B13R1.555 C#CCCCSc1ncccc1O 62a_100000034122_100011215417 [0,2,0,0,0,0|0,0,2]=4 22199 B13R1.555 C#CCCCSc1ncccc1O 62a_100011215417_100000034122 [0,2,0,0,0,0|0,0,2]=4 22200 B13R1.555 C#CCCNCc1ncccc1Br 34a_100000755551_100025702911 [0,2,0,0,0,0|0,0,2]=4 22201 B13R1.555 C#CCCNCc1ncccc1C 34a_100000755551_100000696600 [0,2,0,0,0,0|0,0,2]=4 22202 B13R1.555 C#CCCNCc1ncccc1C 34a_100011223789_100000688953 [0,2,0,0,0,0|0,0,2]=4 22203 B13R1.555 C#CCCNCc1ncccc1Cl 2230a_100015189233_100000688953 [0,2,0,0,0,0|0,0,2]=4 22204 B13R1.555 C#CCCNCc1ncccc1F 34a_100000690088_100000688953 [0,2,0,0,0,0|0,0,2]=4 22205 B13R1.555 C#CCCNCc1ncccc1F 34a_100000755551_100000104219 [0,2,0,0,0,0|0,0,2]=4 22206 B13R1.555 C#CCCNCc1ncccc1O 34a_100000755551_200020655725 [0,2,0,0,0,0|0,0,2]=4 22207 B13R1.555 C#CCCOCc1ncccc1Br 34a_100011215631_100025702911 [0,2,0,0,0,0|0,0,2]=4 22208 B13R1.555 C#CCCOCc1ncccc1Br 34a_100011996772_100000688953 [0,2,0,0,0,0|0,0,2]=4 22209 B13R1.555 C#CCCOCc1ncccc1C 34a_100000698912_100000688953 [0,2,0,0,0,0|0,0,2]=4 22210 B13R1.555 C#CCCOCc1ncccc1C 34a_100011215631_100000696600 [0,2,0,0,0,0|0,0,2]=4 22211 B13R1.555 C#CCCOCc1ncccc1Cl 34a_100012002383_100000688953 [0,2,0,0,0,0|0,0,2]=4 22212 B13R1.555 C#CCCOCc1ncccc1F 34a_100011215631_100000104219 [0,2,0,0,0,0|0,0,2]=4 22213 B13R1.555 C#CCCOCc1ncccc1F 34a_100011934865_100000688953 [0,2,0,0,0,0|0,0,2]=4 22214 B13R1.555 C#CCCOCc1ncccc1N 34a_114873767017_100000688953 [0,2,0,0,0,0|0,0,2]=4 22215 B13R1.555 C#CCCOCc1ncccc1O 34a_100011215631_200020655725 [0,2,0,0,0,0|0,0,2]=4 22216 B13R1.555 C#CCCSCc1ncccc1Br 62a_100000688953_100025702911 [0,2,0,0,0,0|0,0,2]=4 22217 B13R1.555 C#CCCSCc1ncccc1Br 62a_100025702911_100000688953 [0,2,0,0,0,0|0,0,2]=4 22218 B13R1.555 C#CCCSCc1ncccc1C 62a_100000688953_100000696600 [0,2,0,0,0,0|0,0,2]=4 22219 B13R1.555 C#CCCSCc1ncccc1C 62a_100000696600_100000688953 [0,2,0,0,0,0|0,0,2]=4 22220 B13R1.555 C#CCCSCc1ncccc1Cl 62a_100000099807_100000688953 [0,2,0,0,0,0|0,0,2]=4 22221 B13R1.555 C#CCCSCc1ncccc1Cl 62a_100000688953_100000099807 [0,2,0,0,0,0|0,0,2]=4 22222 B13R1.555 C#CCCSCc1ncccc1F 62a_100000104219_100000688953 [0,2,0,0,0,0|0,0,2]=4 22223 B13R1.555 C#CCCSCc1ncccc1F 62a_100000688953_100000104219 [0,2,0,0,0,0|0,0,2]=4 22224 B13R1.555 C#CCCSCc1ncccc1O 62a_100000688953_200020655725 [0,2,0,0,0,0|0,0,2]=4 22225 B13R1.555 C#CCCSCc1ncccc1O 62a_200020655725_100000688953 [0,2,0,0,0,0|0,0,2]=4 22226 B13R1.555 C#CCOCCc1ncccc1C 34a_100011997706_100000184674 [0,2,0,0,0,0|0,0,2]=4 22227 B13R1.555 C#CCOCCc1ncccc1C 7a_100011997706_100000038162 [0,2,0,0,0,0|0,0,2]=4 22228 B13R1.555 C/C=C/CNCc1ncccc1C 34a_100011223789_100102629194 [0,2,0,0,0,0|0,0,2]=4 22229 B13R1.555 C/C=C/CNCc1ncccc1F 34a_100000690088_100102629194 [0,2,0,0,0,0|0,0,2]=4 22230 B13R1.555 C/C=C/COCc1ncccc1Br 34a_100011996772_100102629194 [0,2,0,0,0,0|0,0,2]=4 22231 B13R1.555 C/C=C/COCc1ncccc1Br 34a_100016270725_100025702911 [0,2,0,0,0,0|0,0,2]=4 22232 B13R1.555 C/C=C/COCc1ncccc1C 34a_100000698912_100102629194 [0,2,0,0,0,0|0,0,2]=4 22233 B13R1.555 C/C=C/COCc1ncccc1C 34a_100016270725_100000696600 [0,2,0,0,0,0|0,0,2]=4 22234 B13R1.555 C/C=C/COCc1ncccc1Cl 34a_100012002383_100102629194 [0,2,0,0,0,0|0,0,2]=4 22235 B13R1.555 C/C=C/COCc1ncccc1F 34a_100011934865_100102629194 [0,2,0,0,0,0|0,0,2]=4 22236 B13R1.555 C/C=C/COCc1ncccc1F 34a_100016270725_100000104219 [0,2,0,0,0,0|0,0,2]=4 22237 B13R1.555 C/C=C/COCc1ncccc1N 34a_114873767017_100102629194 [0,2,0,0,0,0|0,0,2]=4 22238 B13R1.555 C/C=C/COCc1ncccc1O 34a_100016270725_200020655725 [0,2,0,0,0,0|0,0,2]=4 22239 B13R1.555 C/C=C/CSCc1ncccc1Br 62a_100025702911_100102629194 [0,2,0,0,0,0|0,0,2]=4 22240 B13R1.555 C/C=C/CSCc1ncccc1Br 62a_100102629194_100025702911 [0,2,0,0,0,0|0,0,2]=4 22241 B13R1.555 C/C=C/CSCc1ncccc1C 62a_100000696600_100102629194 [0,2,0,0,0,0|0,0,2]=4 22242 B13R1.555 C/C=C/CSCc1ncccc1C 62a_100102629194_100000696600 [0,2,0,0,0,0|0,0,2]=4 22243 B13R1.555 C/C=C/CSCc1ncccc1Cl 62a_100000099807_100102629194 [0,2,0,0,0,0|0,0,2]=4 22244 B13R1.555 C/C=C/CSCc1ncccc1Cl 62a_100102629194_100000099807 [0,2,0,0,0,0|0,0,2]=4 22245 B13R1.555 C/C=C/CSCc1ncccc1F 62a_100000104219_100102629194 [0,2,0,0,0,0|0,0,2]=4 22246 B13R1.555 C/C=C/CSCc1ncccc1F 62a_100102629194_100000104219 [0,2,0,0,0,0|0,0,2]=4 22247 B13R1.555 C/C=C/CSCc1ncccc1O 62a_100102629194_200020655725 [0,2,0,0,0,0|0,0,2]=4 22248 B13R1.555 C/C=C/CSCc1ncccc1O 62a_200020655725_100102629194 [0,2,0,0,0,0|0,0,2]=4 22249 B13R1.555 C=CCCCNc1ncccc1Br 27a_100000700776_100000696092 [0,2,0,0,0,0|0,0,2]=4 22250 B13R1.555 C=CCCCOc1ncccc1Cl 34a_100011290957_100000757094 [0,2,0,0,0,0|0,0,2]=4 22251 B13R1.555 C=CCCCOc1ncccc1F 34a_100011219419_100000757094 [0,2,0,0,0,0|0,0,2]=4 22252 B13R1.555 C=CCCCOc1ncccc1N 34a_100000746358_100000757094 [0,2,0,0,0,0|0,0,2]=4 22253 B13R1.555 C=CCCCSc1ncccc1Br 62a_100000696092_100000757094 [0,2,0,0,0,0|0,0,2]=4 22254 B13R1.555 C=CCCCSc1ncccc1Br 62a_100011713584_100000696092 [0,2,0,0,0,0|0,0,2]=4 22255 B13R1.555 C=CCCCSc1ncccc1C 62a_100000751373_100000757094 [0,2,0,0,0,0|0,0,2]=4 22256 B13R1.555 C=CCCCSc1ncccc1C 62a_100011713584_100000751373 [0,2,0,0,0,0|0,0,2]=4 22257 B13R1.555 C=CCCCSc1ncccc1Cl 62a_100011356963_100000757094 [0,2,0,0,0,0|0,0,2]=4 22258 B13R1.555 C=CCCCSc1ncccc1Cl 62a_100011713584_100011356963 [0,2,0,0,0,0|0,0,2]=4 22259 B13R1.555 C=CCCCSc1ncccc1F 62a_100000685392_100000757094 [0,2,0,0,0,0|0,0,2]=4 22260 B13R1.555 C=CCCCSc1ncccc1F 62a_100011713584_100000685392 [0,2,0,0,0,0|0,0,2]=4 22261 B13R1.555 C=CCCCSc1ncccc1N 62a_100000688686_100000757094 [0,2,0,0,0,0|0,0,2]=4 22262 B13R1.555 C=CCCCSc1ncccc1N 62a_100011713584_100000688686 [0,2,0,0,0,0|0,0,2]=4 22263 B13R1.555 C=CCCCSc1ncccc1O 62a_100000034122_100000757094 [0,2,0,0,0,0|0,0,2]=4 22264 B13R1.555 C=CCCCSc1ncccc1O 62a_100011713584_100000034122 [0,2,0,0,0,0|0,0,2]=4 22265 B13R1.555 C=CCCNCc1ncccc1Br 207a_100015191253_100011934733 [0,2,0,0,0,0|0,0,2]=4 22266 B13R1.555 C=CCCNCc1ncccc1Br 2230a_100015191253_100025702911 [0,2,0,0,0,0|0,0,2]=4 22267 B13R1.555 C=CCCNCc1ncccc1Br 270004a_100015191253_100011934733 [0,2,0,0,0,0|0,0,2]=4 22268 B13R1.555 C=CCCNCc1ncccc1C 207a_100015191253_100000698913 [0,2,0,0,0,0|0,0,2]=4 22269 B13R1.555 C=CCCNCc1ncccc1C 2230a_100015191253_100000696600 [0,2,0,0,0,0|0,0,2]=4 22270 B13R1.555 C=CCCNCc1ncccc1C 270004a_100015191253_100000698913 [0,2,0,0,0,0|0,0,2]=4 22271 B13R1.555 C=CCCNCc1ncccc1C 34a_100011223789_100000754431 [0,2,0,0,0,0|0,0,2]=4 22272 B13R1.555 C=CCCNCc1ncccc1Cl 207a_100015191253_100012001307 [0,2,0,0,0,0|0,0,2]=4 22273 B13R1.555 C=CCCNCc1ncccc1Cl 2230a_100015189233_100000754431 [0,2,0,0,0,0|0,0,2]=4 22274 B13R1.555 C=CCCNCc1ncccc1Cl 2230a_100015191253_100000099807 [0,2,0,0,0,0|0,0,2]=4 22275 B13R1.555 C=CCCNCc1ncccc1Cl 270004a_100015191253_100012001307 [0,2,0,0,0,0|0,0,2]=4 22276 B13R1.555 C=CCCNCc1ncccc1F 207a_100015191253_100011934734 [0,2,0,0,0,0|0,0,2]=4 22277 B13R1.555 C=CCCNCc1ncccc1F 2230a_100015191253_100000104219 [0,2,0,0,0,0|0,0,2]=4 22278 B13R1.555 C=CCCNCc1ncccc1F 270004a_100015191253_100011934734 [0,2,0,0,0,0|0,0,2]=4 22279 B13R1.555 C=CCCNCc1ncccc1F 34a_100000690088_100000754431 [0,2,0,0,0,0|0,0,2]=4 22280 B13R1.555 C=CCCOCc1ncccc1Br 34a_100011205117_100025702911 [0,2,0,0,0,0|0,0,2]=4 22281 B13R1.555 C=CCCOCc1ncccc1Br 34a_100011996772_100000754431 [0,2,0,0,0,0|0,0,2]=4 22282 B13R1.555 C=CCCOCc1ncccc1C 34a_100000698912_100000754431 [0,2,0,0,0,0|0,0,2]=4 22283 B13R1.555 C=CCCOCc1ncccc1C 34a_100011205117_100000696600 [0,2,0,0,0,0|0,0,2]=4 22284 B13R1.555 C=CCCOCc1ncccc1Cl 34a_100012002383_100000754431 [0,2,0,0,0,0|0,0,2]=4 22285 B13R1.555 C=CCCOCc1ncccc1F 34a_100011205117_100000104219 [0,2,0,0,0,0|0,0,2]=4 22286 B13R1.555 C=CCCOCc1ncccc1F 34a_100011934865_100000754431 [0,2,0,0,0,0|0,0,2]=4 22287 B13R1.555 C=CCCOCc1ncccc1N 34a_114873767017_100000754431 [0,2,0,0,0,0|0,0,2]=4 22288 B13R1.555 C=CCCOCc1ncccc1O 34a_100011205117_200020655725 [0,2,0,0,0,0|0,0,2]=4 22289 B13R1.555 C=CCCSCc1ncccc1Br 62a_100000754431_100025702911 [0,2,0,0,0,0|0,0,2]=4 22290 B13R1.555 C=CCCSCc1ncccc1Br 62a_100025702911_100000754431 [0,2,0,0,0,0|0,0,2]=4 22291 B13R1.555 C=CCCSCc1ncccc1C 62a_100000696600_100000754431 [0,2,0,0,0,0|0,0,2]=4 22292 B13R1.555 C=CCCSCc1ncccc1C 62a_100000754431_100000696600 [0,2,0,0,0,0|0,0,2]=4 22293 B13R1.555 C=CCCSCc1ncccc1Cl 62a_100000099807_100000754431 [0,2,0,0,0,0|0,0,2]=4 22294 B13R1.555 C=CCCSCc1ncccc1Cl 62a_100000754431_100000099807 [0,2,0,0,0,0|0,0,2]=4 22295 B13R1.555 C=CCCSCc1ncccc1F 62a_100000104219_100000754431 [0,2,0,0,0,0|0,0,2]=4 22296 B13R1.555 C=CCCSCc1ncccc1F 62a_100000754431_100000104219 [0,2,0,0,0,0|0,0,2]=4 22297 B13R1.555 C=CCCSCc1ncccc1O 62a_100000754431_200020655725 [0,2,0,0,0,0|0,0,2]=4 22298 B13R1.555 C=CCCSCc1ncccc1O 62a_200020655725_100000754431 [0,2,0,0,0,0|0,0,2]=4 22299 B13R1.555 C=CCOCCc1ncccc1C 34a_100011997706_100015514636 [0,2,0,0,0,0|0,0,2]=4 22300 B13R1.555 C=CCOCCc1ncccc1C 7a_100011997706_100015514636 [0,2,0,0,0,0|0,0,2]=4 22301 B13R1.555 CC#CCNCc1ncccc1Br 2230a_100000685387_100025702911 [0,2,0,0,0,0|0,0,2]=4 22302 B13R1.555 CC#CCNCc1ncccc1Br 34a_100000685387_100025702911 [0,2,0,0,0,0|0,0,2]=4 22303 B13R1.555 CC#CCNCc1ncccc1C 2230a_100000685387_100000696600 [0,2,0,0,0,0|0,0,2]=4 22304 B13R1.555 CC#CCNCc1ncccc1C 34a_100000685387_100000696600 [0,2,0,0,0,0|0,0,2]=4 22305 B13R1.555 CC#CCNCc1ncccc1C 34a_100011223789_100000748600 [0,2,0,0,0,0|0,0,2]=4 22306 B13R1.555 CC#CCNCc1ncccc1Cl 2230a_100000685387_100000099807 [0,2,0,0,0,0|0,0,2]=4 22307 B13R1.555 CC#CCNCc1ncccc1Cl 2230a_100015189233_100000748600 [0,2,0,0,0,0|0,0,2]=4 22308 B13R1.555 CC#CCNCc1ncccc1F 2230a_100000685387_100000104219 [0,2,0,0,0,0|0,0,2]=4 22309 B13R1.555 CC#CCNCc1ncccc1F 34a_100000685387_100000104219 [0,2,0,0,0,0|0,0,2]=4 22310 B13R1.555 CC#CCNCc1ncccc1F 34a_100000690088_100000748600 [0,2,0,0,0,0|0,0,2]=4 22311 B13R1.555 CC#CCNCc1ncccc1O 34a_100000685387_200020655725 [0,2,0,0,0,0|0,0,2]=4 22312 B13R1.555 CC#CCOCc1ncccc1Br 34a_100000761923_100025702911 [0,2,0,0,0,0|0,0,2]=4 22313 B13R1.555 CC#CCOCc1ncccc1Br 34a_100011996772_100000748600 [0,2,0,0,0,0|0,0,2]=4 22314 B13R1.555 CC#CCOCc1ncccc1C 34a_100000698912_100000748600 [0,2,0,0,0,0|0,0,2]=4 22315 B13R1.555 CC#CCOCc1ncccc1C 34a_100000761923_100000696600 [0,2,0,0,0,0|0,0,2]=4 22316 B13R1.555 CC#CCOCc1ncccc1Cl 34a_100012002383_100000748600 [0,2,0,0,0,0|0,0,2]=4 22317 B13R1.555 CC#CCOCc1ncccc1F 34a_100000761923_100000104219 [0,2,0,0,0,0|0,0,2]=4 22318 B13R1.555 CC#CCOCc1ncccc1F 34a_100011934865_100000748600 [0,2,0,0,0,0|0,0,2]=4 22319 B13R1.555 CC#CCOCc1ncccc1N 34a_114873767017_100000748600 [0,2,0,0,0,0|0,0,2]=4 22320 B13R1.555 CC#CCOCc1ncccc1O 34a_100000761923_200020655725 [0,2,0,0,0,0|0,0,2]=4 22321 B13R1.555 CC#CCSCc1ncccc1Br 62a_100000748600_100025702911 [0,2,0,0,0,0|0,0,2]=4 22322 B13R1.555 CC#CCSCc1ncccc1Br 62a_100025702911_100000748600 [0,2,0,0,0,0|0,0,2]=4 22323 B13R1.555 CC#CCSCc1ncccc1C 62a_100000696600_100000748600 [0,2,0,0,0,0|0,0,2]=4 22324 B13R1.555 CC#CCSCc1ncccc1C 62a_100000748600_100000696600 [0,2,0,0,0,0|0,0,2]=4 22325 B13R1.555 CC#CCSCc1ncccc1Cl 62a_100000099807_100000748600 [0,2,0,0,0,0|0,0,2]=4 22326 B13R1.555 CC#CCSCc1ncccc1Cl 62a_100000748600_100000099807 [0,2,0,0,0,0|0,0,2]=4 22327 B13R1.555 CC#CCSCc1ncccc1F 62a_100000104219_100000748600 [0,2,0,0,0,0|0,0,2]=4 22328 B13R1.555 CC#CCSCc1ncccc1F 62a_100000748600_100000104219 [0,2,0,0,0,0|0,0,2]=4 22329 B13R1.555 CC#CCSCc1ncccc1O 62a_100000748600_200020655725 [0,2,0,0,0,0|0,0,2]=4 22330 B13R1.555 CC#CCSCc1ncccc1O 62a_200020655725_100000748600 [0,2,0,0,0,0|0,0,2]=4 22331 B13R1.555 CC/C=C\COc1ncccc1Cl 34a_100011290957_100103147603 [0,2,0,0,0,0|0,0,2]=4 22332 B13R1.555 CC/C=C\COc1ncccc1F 34a_100011219419_100103147603 [0,2,0,0,0,0|0,0,2]=4 22333 B13R1.555 CC/C=C\COc1ncccc1N 34a_100000746358_100103147603 [0,2,0,0,0,0|0,0,2]=4 22334 B13R1.555 CC/C=C\CSc1ncccc1Br 62a_100000696092_100103147603 [0,2,0,0,0,0|0,0,2]=4 22335 B13R1.555 CC/C=C\CSc1ncccc1Br 62a_100103147603_100000696092 [0,2,0,0,0,0|0,0,2]=4 22336 B13R1.555 CC/C=C\CSc1ncccc1C 62a_100000751373_100103147603 [0,2,0,0,0,0|0,0,2]=4 22337 B13R1.555 CC/C=C\CSc1ncccc1C 62a_100103147603_100000751373 [0,2,0,0,0,0|0,0,2]=4 22338 B13R1.555 CC/C=C\CSc1ncccc1Cl 62a_100011356963_100103147603 [0,2,0,0,0,0|0,0,2]=4 22339 B13R1.555 CC/C=C\CSc1ncccc1Cl 62a_100103147603_100011356963 [0,2,0,0,0,0|0,0,2]=4 22340 B13R1.555 CC/C=C\CSc1ncccc1F 62a_100000685392_100103147603 [0,2,0,0,0,0|0,0,2]=4 22341 B13R1.555 CC/C=C\CSc1ncccc1F 62a_100103147603_100000685392 [0,2,0,0,0,0|0,0,2]=4 22342 B13R1.555 CC/C=C\CSc1ncccc1N 62a_100000688686_100103147603 [0,2,0,0,0,0|0,0,2]=4 22343 B13R1.555 CC/C=C\CSc1ncccc1N 62a_100103147603_100000688686 [0,2,0,0,0,0|0,0,2]=4 22344 B13R1.555 CC/C=C\CSc1ncccc1O 62a_100000034122_100103147603 [0,2,0,0,0,0|0,0,2]=4 22345 B13R1.555 CC/C=C\CSc1ncccc1O 62a_100103147603_100000034122 [0,2,0,0,0,0|0,0,2]=4 22346 B13R1.555 CC=CCNCc1ncccc1C 34a_100011223789_100000070051 [0,2,0,0,0,0|0,0,2]=4 22347 B13R1.555 CC=CCNCc1ncccc1Cl 2230a_100015189233_100000070051 [0,2,0,0,0,0|0,0,2]=4 22348 B13R1.555 CC=CCNCc1ncccc1F 34a_100000690088_100000070051 [0,2,0,0,0,0|0,0,2]=4 22349 B13R1.555 CC=CCOCc1ncccc1Br 34a_100011996772_100000070051 [0,2,0,0,0,0|0,0,2]=4 22350 B13R1.555 CC=CCOCc1ncccc1C 34a_100000698912_100000070051 [0,2,0,0,0,0|0,0,2]=4 22351 B13R1.555 CC=CCOCc1ncccc1Cl 34a_100012002383_100000070051 [0,2,0,0,0,0|0,0,2]=4 22352 B13R1.555 CC=CCOCc1ncccc1F 34a_100011934865_100000070051 [0,2,0,0,0,0|0,0,2]=4 22353 B13R1.555 CC=CCOCc1ncccc1N 34a_114873767017_100000070051 [0,2,0,0,0,0|0,0,2]=4 22354 B13R1.555 CC=CCSCc1ncccc1Br 62a_100000070051_100025702911 [0,2,0,0,0,0|0,0,2]=4 22355 B13R1.555 CC=CCSCc1ncccc1Br 62a_100025702911_100000070051 [0,2,0,0,0,0|0,0,2]=4 22356 B13R1.555 CC=CCSCc1ncccc1C 62a_100000070051_100000696600 [0,2,0,0,0,0|0,0,2]=4 22357 B13R1.555 CC=CCSCc1ncccc1C 62a_100000696600_100000070051 [0,2,0,0,0,0|0,0,2]=4 22358 B13R1.555 CC=CCSCc1ncccc1Cl 62a_100000070051_100000099807 [0,2,0,0,0,0|0,0,2]=4 22359 B13R1.555 CC=CCSCc1ncccc1Cl 62a_100000099807_100000070051 [0,2,0,0,0,0|0,0,2]=4 22360 B13R1.555 CC=CCSCc1ncccc1F 62a_100000070051_100000104219 [0,2,0,0,0,0|0,0,2]=4 22361 B13R1.555 CC=CCSCc1ncccc1F 62a_100000104219_100000070051 [0,2,0,0,0,0|0,0,2]=4 22362 B13R1.555 CC=CCSCc1ncccc1O 62a_100000070051_200020655725 [0,2,0,0,0,0|0,0,2]=4 22363 B13R1.555 CC=CCSCc1ncccc1O 62a_200020655725_100000070051 [0,2,0,0,0,0|0,0,2]=4 22364 B13R1.555 CCC#CCOc1ncccc1Cl 34a_100011290957_100009813939 [0,2,0,0,0,0|0,0,2]=4 22365 B13R1.555 CCC#CCOc1ncccc1F 34a_100011219419_100009813939 [0,2,0,0,0,0|0,0,2]=4 22366 B13R1.555 CCC#CCOc1ncccc1N 34a_100000746358_100009813939 [0,2,0,0,0,0|0,0,2]=4 22367 B13R1.555 CCC#CCSc1ncccc1Br 62a_100000696092_100009813939 [0,2,0,0,0,0|0,0,2]=4 22368 B13R1.555 CCC#CCSc1ncccc1Br 62a_100009813939_100000696092 [0,2,0,0,0,0|0,0,2]=4 22369 B13R1.555 CCC#CCSc1ncccc1C 62a_100000751373_100009813939 [0,2,0,0,0,0|0,0,2]=4 22370 B13R1.555 CCC#CCSc1ncccc1C 62a_100009813939_100000751373 [0,2,0,0,0,0|0,0,2]=4 22371 B13R1.555 CCC#CCSc1ncccc1Cl 62a_100009813939_100011356963 [0,2,0,0,0,0|0,0,2]=4 22372 B13R1.555 CCC#CCSc1ncccc1Cl 62a_100011356963_100009813939 [0,2,0,0,0,0|0,0,2]=4 22373 B13R1.555 CCC#CCSc1ncccc1F 62a_100000685392_100009813939 [0,2,0,0,0,0|0,0,2]=4 22374 B13R1.555 CCC#CCSc1ncccc1F 62a_100009813939_100000685392 [0,2,0,0,0,0|0,0,2]=4 22375 B13R1.555 CCC#CCSc1ncccc1N 62a_100000688686_100009813939 [0,2,0,0,0,0|0,0,2]=4 22376 B13R1.555 CCC#CCSc1ncccc1N 62a_100009813939_100000688686 [0,2,0,0,0,0|0,0,2]=4 22377 B13R1.555 CCC#CCSc1ncccc1O 62a_100000034122_100009813939 [0,2,0,0,0,0|0,0,2]=4 22378 B13R1.555 CCC#CCSc1ncccc1O 62a_100009813939_100000034122 [0,2,0,0,0,0|0,0,2]=4 22379 B13R1.555 CCCC=NNc1ncccc1Br 4a_100011464834_100000185831 [0,2,0,0,0,0|1,0,1]=4 22380 B13R1.555 CCCC=NNc1ncccc1C 4a_100000708268_100000185831 [0,2,0,0,0,0|1,0,1]=4 22381 B13R1.555 CCCC=NNc1ncccc1Cl 4a_100000741667_100000185831 [0,2,0,0,0,0|1,0,1]=4 22382 B13R1.555 CCCC=NNc1ncccc1F 4a_100000717775_100000185831 [0,2,0,0,0,0|1,0,1]=4 22383 B13R1.555 CCCC=NNc1ncccc1I 4a_100010221029_100000185831 [0,2,0,0,0,0|1,0,1]=4 22384 B13R1.555 CCCCC=Cc1cccc[n+]1C 271570a_100016275911_100000212160 [0,2,0,0,0,0|0,0,2]=4 22385 B13R1.555 CCCCC=Cc1cccc[n+]1[O-] 271570a_100016275911_200000042595 [0,2,0,0,0,0|0,0,2]=4 22386 B13R1.555 CCCCC=Cc1ccccc1Br 271570a_100016275911_100000695589 [0,2,0,0,0,0|1,0,1]=4 22387 B13R1.555 CCCCC=Cc1ccccc1C 271570a_100016275911_100000210755 [0,2,0,0,0,0|1,0,1]=4 22388 B13R1.555 CCCCC=Cc1ccccc1Cl 271570a_100016275911_100000764095 [0,2,0,0,0,0|1,0,1]=4 22389 B13R1.555 CCCCC=Cc1ccccc1F 271570a_100016275911_100011215700 [0,2,0,0,0,0|1,0,1]=4 22390 B13R1.555 CCCCC=Cc1ccccc1N 271570a_100016275911_100000210017 [0,2,0,0,0,0|1,0,1]=4 22391 B13R1.555 CCCCC=Cc1ccccc1O 271570a_100016275911_100000739446 [0,2,0,0,0,0|1,0,1]=4 22392 B13R1.555 CCCCC=Cc1ncc[nH]c1=O 271570a_100016275911_100000763361 [0,2,0,0,0,0|1,0,1]=4 22393 B13R1.555 CCCCC=Cc1ncccc1Br 271570a_100016275911_100000696092 [0,2,0,0,0,0|0,0,1]=3 22394 B13R1.555 CCCCC=Cc1ncccc1C 271570a_100016275911_100000751373 [0,2,0,0,0,0|0,0,1]=3 22395 B13R1.555 CCCCC=Cc1ncccc1Cl 271570a_100016275911_100011356963 [0,2,0,0,0,0|0,0,1]=3 22396 B13R1.555 CCCCC=Cc1ncccc1F 271570a_100016275911_100000685392 [0,2,0,0,0,0|0,0,1]=3 22397 B13R1.555 CCCCC=Cc1ncccc1N 271570a_100016275911_100000688686 [0,2,0,0,0,0|0,0,1]=3 22398 B13R1.555 CCCCC=Cc1ncccc1O 271570a_100016275911_100000034122 [0,2,0,0,0,0|0,0,1]=3 22399 B13R1.555 CCCCC=Cc1nccnc1C 271570a_100016275911_100011999405 [0,2,0,0,0,0|1,0,1]=4 22400 B13R1.555 CCCCC=Cc1nccnc1F 271570a_100016275911_200010125657 [0,2,0,0,0,0|1,0,1]=4 22401 B13R1.555 CCCCC=Cc1nccnc1N 271570a_100016275911_100000747729 [0,2,0,0,0,0|1,0,1]=4 22402 B13R1.555 CCCCC=Cc1ncncc1C 271570a_100016275911_100011998708 [0,2,0,0,0,0|1,0,1]=4 22403 B13R1.555 CCCCC=Cc1ncncc1F 271570a_100016275911_100000069762 [0,2,0,0,0,0|1,0,1]=4 22404 B13R1.555 CCCCC=Cc1ncncc1N 271570a_100016275911_100000709731 [0,2,0,0,0,0|1,0,1]=4 22405 B13R1.555 CCCCC=Cc1nnccc1C 271570a_100016275911_100000089043 [0,2,0,0,0,0|1,0,1]=4 22406 B13R1.555 CCCCCCc1ncncc1O 271570a_203496583355_200009816993 [0,2,0,0,0,0|1,0,0]=3 22407 B13R1.555 CCCCCNc1ccccc1Br 34a_100000210017_100000718602 [0,2,0,0,0,0|1,0,0]=3 22408 B13R1.555 CCCCCNc1ccccc1C 34a_100015192222_100000718602 [0,2,0,0,0,0|1,0,0]=3 22409 B13R1.555 CCCCCNc1ccccc1Cl 34a_100000185783_100000718602 [0,2,0,0,0,0|1,0,0]=3 22410 B13R1.555 CCCCCNc1ccccc1F 34a_100000210422_100000718602 [0,2,0,0,0,0|1,0,0]=3 22411 B13R1.555 CCCCCNc1ccccc1I 34a_100000210053_100000718602 [0,2,0,0,0,0|1,0,0]=3 22412 B13R1.555 CCCCCNc1ccccc1O 34a_100000185747_100000718602 [0,2,0,0,0,0|1,0,0]=3 22413 B13R1.555 CCCCCNc1ccncc1Br 27a_100000209983_100000726257 [0,2,0,0,0,0|2,0,0]=4 22414 B13R1.555 CCCCCNc1ccncc1C 27a_100000209983_100000765111 [0,2,0,0,0,0|2,0,0]=4 22415 B13R1.555 CCCCCNc1ccncc1F 27a_100000209983_100000035921 [0,2,0,0,0,0|2,0,0]=4 22416 B13R1.555 CCCCCNc1ncccc1Br 27a_100000209983_100000696092 [0,2,0,0,0,0|0,0,0]=2 22417 B13R1.555 CCCCCNc1nccnc1C 27a_100000209983_100011999405 [0,2,0,0,0,0|1,0,0]=3 22418 B13R1.555 CCCCCNc1nccnc1F 27a_100000209983_200010125657 [0,2,0,0,0,0|1,0,0]=3 22419 B13R1.555 CCCCCNc1ncncc1C 27a_100000209983_100011998708 [0,2,0,0,0,0|1,0,0]=3 22420 B13R1.555 CCCCCNc1ncncc1F 27a_100000209983_100000069762 [0,2,0,0,0,0|1,0,0]=3 22421 B13R1.555 CCCCCNc1ncncc1N 27a_100000209983_100000709731 [0,2,0,0,0,0|1,0,0]=3 22422 B13R1.555 CCCCCNc1nnccc1C 27a_100000209983_100000089043 [0,2,0,0,0,0|1,0,0]=3 22423 B13R1.555 CCCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210326 [0,2,0,0,0,0|0,0,1]=3 22424 B13R1.555 CCCCCOc1ccccc1Br 34a_100000181306_100000718602 [0,2,0,0,0,0|1,0,0]=3 22425 B13R1.555 CCCCCOc1ccccc1Br 7a_100000181306_100000210326 [0,2,0,0,0,0|1,0,0]=3 22426 B13R1.555 CCCCCOc1ccccc1C 34a_100000210338_100000718602 [0,2,0,0,0,0|1,0,0]=3 22427 B13R1.555 CCCCCOc1ccccc1C 7a_100000210338_100000210326 [0,2,0,0,0,0|1,0,0]=3 22428 B13R1.555 CCCCCOc1ccccc1Cl 34a_100000210172_100000718602 [0,2,0,0,0,0|1,0,0]=3 22429 B13R1.555 CCCCCOc1ccccc1Cl 7a_100000210172_100000210326 [0,2,0,0,0,0|1,0,0]=3 22430 B13R1.555 CCCCCOc1ccccc1F 34a_100000210171_100000718602 [0,2,0,0,0,0|1,0,0]=3 22431 B13R1.555 CCCCCOc1ccccc1F 7a_100000210171_100000210326 [0,2,0,0,0,0|1,0,0]=3 22432 B13R1.555 CCCCCOc1ccccc1I 34a_100000739446_100000718602 [0,2,0,0,0,0|1,0,0]=3 22433 B13R1.555 CCCCCOc1ccccc1I 7a_100000739446_100000210326 [0,2,0,0,0,0|1,0,0]=3 22434 B13R1.555 CCCCCOc1ccccc1N 34a_100000185747_100000718602 [0,2,0,0,0,0|1,0,0]=3 22435 B13R1.555 CCCCCOc1ccccc1N 7a_100000185747_100000210326 [0,2,0,0,0,0|1,0,0]=3 22436 B13R1.555 CCCCCOc1cccnc1Br 34a_100000744436_100000718602 [0,2,0,0,0,0|2,0,0]=4 22437 B13R1.555 CCCCCOc1cccnc1Br 7a_100000744436_100000210326 [0,2,0,0,0,0|2,0,0]=4 22438 B13R1.555 CCCCCOc1cccnc1C 34a_100000745507_100000718602 [0,2,0,0,0,0|2,0,0]=4 22439 B13R1.555 CCCCCOc1cccnc1C 7a_100000745507_100000210326 [0,2,0,0,0,0|2,0,0]=4 22440 B13R1.555 CCCCCOc1cccnc1Cl 34a_100000757616_100000718602 [0,2,0,0,0,0|2,0,0]=4 22441 B13R1.555 CCCCCOc1cccnc1Cl 7a_100000757616_100000210326 [0,2,0,0,0,0|2,0,0]=4 22442 B13R1.555 CCCCCOc1cccnc1F 34a_100000061740_100000718602 [0,2,0,0,0,0|2,0,0]=4 22443 B13R1.555 CCCCCOc1cccnc1F 7a_100000061740_100000210326 [0,2,0,0,0,0|2,0,0]=4 22444 B13R1.555 CCCCCOc1cccnc1I 34a_100000034122_100000718602 [0,2,0,0,0,0|2,0,0]=4 22445 B13R1.555 CCCCCOc1cccnc1I 7a_100000034122_100000210326 [0,2,0,0,0,0|2,0,0]=4 22446 B13R1.555 CCCCCOc1cccnc1N 34a_100000211975_100000718602 [0,2,0,0,0,0|2,0,0]=4 22447 B13R1.555 CCCCCOc1cccnc1N 7a_100000211975_100000210326 [0,2,0,0,0,0|2,0,0]=4 22448 B13R1.555 CCCCCOc1cccoc1=O 34a_100000077404_100000718602 [0,2,0,0,0,0|2,0,0]=4 22449 B13R1.555 CCCCCOc1cccoc1=O 7a_100000077404_100000210326 [0,2,0,0,0,0|2,0,0]=4 22450 B13R1.555 CCCCCOc1ccncc1Br 34a_100011996408_100000718602 [0,2,0,0,0,0|2,0,0]=4 22451 B13R1.555 CCCCCOc1ccncc1C 34a_100000694293_100000718602 [0,2,0,0,0,0|2,0,0]=4 22452 B13R1.555 CCCCCOc1ccncc1Cl 34a_100011997054_100000718602 [0,2,0,0,0,0|2,0,0]=4 22453 B13R1.555 CCCCCOc1ccncc1F 34a_200000081243_100000718602 [0,2,0,0,0,0|2,0,0]=4 22454 B13R1.555 CCCCCOc1cnccc1C 34a_100011997053_100000718602 [0,2,0,0,0,0|2,0,0]=4 22455 B13R1.555 CCCCCOc1cnccc1C 7a_100011997053_100000210326 [0,2,0,0,0,0|2,0,0]=4 22456 B13R1.555 CCCCCOc1cnccc1Cl 34a_100011996695_100000718602 [0,2,0,0,0,0|2,0,0]=4 22457 B13R1.555 CCCCCOc1cnccc1I 34a_100000050107_100000718602 [0,2,0,0,0,0|2,0,0]=4 22458 B13R1.555 CCCCCOc1cnccc1N 34a_100000753702_100000718602 [0,2,0,0,0,0|2,0,0]=4 22459 B13R1.555 CCCCCOc1coccc1=O 34a_100000060831_100000718602 [0,2,0,0,0,0|2,0,0]=4 22460 B13R1.555 CCCCCOc1ncccc1Cl 34a_100011290957_100000718602 [0,2,0,0,0,0|0,0,0]=2 22461 B13R1.555 CCCCCOc1ncccc1F 34a_100011219419_100000718602 [0,2,0,0,0,0|0,0,0]=2 22462 B13R1.555 CCCCCOc1ncccc1N 34a_100000746358_100000718602 [0,2,0,0,0,0|0,0,0]=2 22463 B13R1.555 CCCCCOc1nccnc1C 34a_100000766352_100000718602 [0,2,0,0,0,0|1,0,0]=3 22464 B13R1.555 CCCCCSc1c[nH]ccc1=O 62a_100000210326_100009998708 [0,2,0,0,0,0|2,0,0]=4 22465 B13R1.555 CCCCCSc1c[nH]ccc1=O 62a_100009998708_100000210326 [0,2,0,0,0,0|2,0,0]=4 22466 B13R1.555 CCCCCSc1c[nH]ccc1=S 62a_100000210326_200012280681 [0,2,0,0,0,0|2,0,0]=4 22467 B13R1.555 CCCCCSc1c[nH]ccc1=S 62a_200012280681_100000210326 [0,2,0,0,0,0|2,0,0]=4 22468 B13R1.555 CCCCCSc1cccc[n+]1C 62a_100000210326_100000212160 [0,2,0,0,0,0|0,0,1]=3 22469 B13R1.555 CCCCCSc1cccc[n+]1[O-] 62a_100000210326_200000042595 [0,2,0,0,0,0|0,0,1]=3 22470 B13R1.555 CCCCCSc1ccccc1Br 62a_100000210326_100000695589 [0,2,0,0,0,0|1,0,0]=3 22471 B13R1.555 CCCCCSc1ccccc1Br 62a_100000695589_100000210326 [0,2,0,0,0,0|1,0,0]=3 22472 B13R1.555 CCCCCSc1ccccc1C 62a_100000210326_100000210755 [0,2,0,0,0,0|1,0,0]=3 22473 B13R1.555 CCCCCSc1ccccc1C 62a_100000210755_100000210326 [0,2,0,0,0,0|1,0,0]=3 22474 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000210326_100000764095 [0,2,0,0,0,0|1,0,0]=3 22475 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000764095_100000210326 [0,2,0,0,0,0|1,0,0]=3 22476 B13R1.555 CCCCCSc1ccccc1F 62a_100000210326_100011215700 [0,2,0,0,0,0|1,0,0]=3 22477 B13R1.555 CCCCCSc1ccccc1F 62a_100011215700_100000210326 [0,2,0,0,0,0|1,0,0]=3 22478 B13R1.555 CCCCCSc1ccccc1N 62a_100000210017_100000210326 [0,2,0,0,0,0|1,0,0]=3 22479 B13R1.555 CCCCCSc1ccccc1N 62a_100000210326_100000210017 [0,2,0,0,0,0|1,0,0]=3 22480 B13R1.555 CCCCCSc1ccccc1O 62a_100000210326_100000739446 [0,2,0,0,0,0|1,0,0]=3 22481 B13R1.555 CCCCCSc1ccccc1O 62a_100000739446_100000210326 [0,2,0,0,0,0|1,0,0]=3 22482 B13R1.555 CCCCCSc1cccnc1Br 62a_100000210326_100010202626 [0,2,0,0,0,0|2,0,0]=4 22483 B13R1.555 CCCCCSc1cccnc1Br 62a_100010202626_100000210326 [0,2,0,0,0,0|2,0,0]=4 22484 B13R1.555 CCCCCSc1cccnc1C 62a_100000210326_100000751574 [0,2,0,0,0,0|2,0,0]=4 22485 B13R1.555 CCCCCSc1cccnc1C 62a_100000751574_100000210326 [0,2,0,0,0,0|2,0,0]=4 22486 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000036424_100000210326 [0,2,0,0,0,0|2,0,0]=4 22487 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000210326_100000036424 [0,2,0,0,0,0|2,0,0]=4 22488 B13R1.555 CCCCCSc1cccnc1F 62a_100000210326_100009816115 [0,2,0,0,0,0|2,0,0]=4 22489 B13R1.555 CCCCCSc1cccnc1F 62a_100009816115_100000210326 [0,2,0,0,0,0|2,0,0]=4 22490 B13R1.555 CCCCCSc1cccnc1N 62a_100000045569_100000210326 [0,2,0,0,0,0|2,0,0]=4 22491 B13R1.555 CCCCCSc1cccnc1N 62a_100000210326_100000045569 [0,2,0,0,0,0|2,0,0]=4 22492 B13R1.555 CCCCCSc1cccnc1O 62a_100000210326_100000760158 [0,2,0,0,0,0|2,0,0]=4 22493 B13R1.555 CCCCCSc1cccnc1O 62a_100000760158_100000210326 [0,2,0,0,0,0|2,0,0]=4 22494 B13R1.555 CCCCCSc1ccncc1Br 62a_100000210326_100000726257 [0,2,0,0,0,0|2,0,0]=4 22495 B13R1.555 CCCCCSc1ccncc1Br 62a_100000726257_100000210326 [0,2,0,0,0,0|2,0,0]=4 22496 B13R1.555 CCCCCSc1ccncc1C 62a_100000210326_100000765111 [0,2,0,0,0,0|2,0,0]=4 22497 B13R1.555 CCCCCSc1ccncc1C 62a_100000765111_100000210326 [0,2,0,0,0,0|2,0,0]=4 22498 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000210326_100000708259 [0,2,0,0,0,0|2,0,0]=4 22499 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000708259_100000210326 [0,2,0,0,0,0|2,0,0]=4 22500 B13R1.555 CCCCCSc1ccncc1F 62a_100000047030_100000210326 [0,2,0,0,0,0|2,0,0]=4 22501 B13R1.555 CCCCCSc1ccncc1F 62a_100000210326_100000047030 [0,2,0,0,0,0|2,0,0]=4 22502 B13R1.555 CCCCCSc1ccncc1N 62a_100000210326_100000756074 [0,2,0,0,0,0|2,0,0]=4 22503 B13R1.555 CCCCCSc1ccncc1N 62a_100000756074_100000210326 [0,2,0,0,0,0|2,0,0]=4 22504 B13R1.555 CCCCCSc1ccncc1O 62a_100000210326_100009817591 [0,2,0,0,0,0|2,0,0]=4 22505 B13R1.555 CCCCCSc1ccncc1O 62a_100009817591_100000210326 [0,2,0,0,0,0|2,0,0]=4 22506 B13R1.555 CCCCCSc1cnccc1Br 62a_100000210326_100010138639 [0,2,0,0,0,0|2,0,0]=4 22507 B13R1.555 CCCCCSc1cnccc1Br 62a_100010138639_100000210326 [0,2,0,0,0,0|2,0,0]=4 22508 B13R1.555 CCCCCSc1cnccc1C 62a_100000210326_100000761580 [0,2,0,0,0,0|2,0,0]=4 22509 B13R1.555 CCCCCSc1cnccc1C 62a_100000761580_100000210326 [0,2,0,0,0,0|2,0,0]=4 22510 B13R1.555 CCCCCSc1cnccc1Cl 62a_100000210326_100009995489 [0,2,0,0,0,0|2,0,0]=4 22511 B13R1.555 CCCCCSc1cnccc1Cl 62a_100009995489_100000210326 [0,2,0,0,0,0|2,0,0]=4 22512 B13R1.555 CCCCCSc1cnccc1F 62a_100000210326_100009820683 [0,2,0,0,0,0|2,0,0]=4 22513 B13R1.555 CCCCCSc1cnccc1F 62a_100009820683_100000210326 [0,2,0,0,0,0|2,0,0]=4 22514 B13R1.555 CCCCCSc1cnccc1N 62a_100000047001_100000210326 [0,2,0,0,0,0|2,0,0]=4 22515 B13R1.555 CCCCCSc1cnccc1N 62a_100000210326_100000047001 [0,2,0,0,0,0|2,0,0]=4 22516 B13R1.555 CCCCCSc1ncc[nH]c1=O 62a_100000210326_100000763361 [0,2,0,0,0,0|1,0,0]=3 22517 B13R1.555 CCCCCSc1ncccc1Br 62a_100000210326_100000696092 [0,2,0,0,0,0|0,0,0]=2 22518 B13R1.555 CCCCCSc1ncccc1Br 62a_100000696092_100000210326 [0,2,0,0,0,0|0,0,0]=2 22519 B13R1.555 CCCCCSc1ncccc1C 62a_100000210326_100000751373 [0,2,0,0,0,0|0,0,0]=2 22520 B13R1.555 CCCCCSc1ncccc1C 62a_100000751373_100000210326 [0,2,0,0,0,0|0,0,0]=2 22521 B13R1.555 CCCCCSc1ncccc1Cl 62a_100000210326_100011356963 [0,2,0,0,0,0|0,0,0]=2 22522 B13R1.555 CCCCCSc1ncccc1Cl 62a_100011356963_100000210326 [0,2,0,0,0,0|0,0,0]=2 22523 B13R1.555 CCCCCSc1ncccc1F 62a_100000210326_100000685392 [0,2,0,0,0,0|0,0,0]=2 22524 B13R1.555 CCCCCSc1ncccc1F 62a_100000685392_100000210326 [0,2,0,0,0,0|0,0,0]=2 22525 B13R1.555 CCCCCSc1ncccc1N 62a_100000210326_100000688686 [0,2,0,0,0,0|0,0,0]=2 22526 B13R1.555 CCCCCSc1ncccc1N 62a_100000688686_100000210326 [0,2,0,0,0,0|0,0,0]=2 22527 B13R1.555 CCCCCSc1ncccc1O 62a_100000034122_100000210326 [0,2,0,0,0,0|0,0,0]=2 22528 B13R1.555 CCCCCSc1ncccc1O 62a_100000210326_100000034122 [0,2,0,0,0,0|0,0,0]=2 22529 B13R1.555 CCCCCSc1nccnc1C 62a_100000210326_100011999405 [0,2,0,0,0,0|1,0,0]=3 22530 B13R1.555 CCCCCSc1nccnc1C 62a_100011999405_100000210326 [0,2,0,0,0,0|1,0,0]=3 22531 B13R1.555 CCCCCSc1nccnc1Cl 62a_100000210326_100010886584 [0,2,0,0,0,0|1,0,0]=3 22532 B13R1.555 CCCCCSc1nccnc1Cl 62a_100010886584_100000210326 [0,2,0,0,0,0|1,0,0]=3 22533 B13R1.555 CCCCCSc1nccnc1F 62a_100000210326_200010125657 [0,2,0,0,0,0|1,0,0]=3 22534 B13R1.555 CCCCCSc1nccnc1F 62a_200010125657_100000210326 [0,2,0,0,0,0|1,0,0]=3 22535 B13R1.555 CCCCCSc1nccnc1N 62a_100000210326_100000747729 [0,2,0,0,0,0|1,0,0]=3 22536 B13R1.555 CCCCCSc1nccnc1N 62a_100000747729_100000210326 [0,2,0,0,0,0|1,0,0]=3 22537 B13R1.555 CCCCCSc1ncncc1C 62a_100000210326_100011998708 [0,2,0,0,0,0|1,0,0]=3 22538 B13R1.555 CCCCCSc1ncncc1C 62a_100011998708_100000210326 [0,2,0,0,0,0|1,0,0]=3 22539 B13R1.555 CCCCCSc1ncncc1F 62a_100000069762_100000210326 [0,2,0,0,0,0|1,0,0]=3 22540 B13R1.555 CCCCCSc1ncncc1F 62a_100000210326_100000069762 [0,2,0,0,0,0|1,0,0]=3 22541 B13R1.555 CCCCCSc1ncncc1N 62a_100000210326_100000709731 [0,2,0,0,0,0|1,0,0]=3 22542 B13R1.555 CCCCCSc1ncncc1N 62a_100000709731_100000210326 [0,2,0,0,0,0|1,0,0]=3 22543 B13R1.555 CCCCCSc1nnccc1C 62a_100000210326_100000089043 [0,2,0,0,0,0|1,0,0]=3 22544 B13R1.555 CCCCNCc1ccccc1Br 207a_100000102301_100000211189 [0,2,0,0,0,0|1,0,0]=3 22545 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000102301_100000184730 [0,2,0,0,0,0|1,0,0]=3 22546 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000689332_100000210211 [0,2,0,0,0,0|1,0,0]=3 22547 B13R1.555 CCCCNCc1ccccc1Br 270004a_100000102301_100000211189 [0,2,0,0,0,0|1,0,0]=3 22548 B13R1.555 CCCCNCc1ccccc1Br 34a_100000689332_100000210210 [0,2,0,0,0,0|1,0,0]=3 22549 B13R1.555 CCCCNCc1ccccc1Br 7a_106832991798_100000184730 [0,2,0,0,0,0|1,0,0]=3 22550 B13R1.555 CCCCNCc1ccccc1C 207a_100000102301_100000211143 [0,2,0,0,0,0|1,0,0]=3 22551 B13R1.555 CCCCNCc1ccccc1C 2230a_100000102301_100000211839 [0,2,0,0,0,0|1,0,0]=3 22552 B13R1.555 CCCCNCc1ccccc1C 270004a_100000102301_100000211143 [0,2,0,0,0,0|1,0,0]=3 22553 B13R1.555 CCCCNCc1ccccc1C 34a_100000174972_100000210210 [0,2,0,0,0,0|1,0,0]=3 22554 B13R1.555 CCCCNCc1ccccc1C 7a_106832991798_100000211839 [0,2,0,0,0,0|1,0,0]=3 22555 B13R1.555 CCCCNCc1ccccc1Cl 207a_100000102301_100000210073 [0,2,0,0,0,0|1,0,0]=3 22556 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000102301_100000187162 [0,2,0,0,0,0|1,0,0]=3 22557 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000174879_100000210211 [0,2,0,0,0,0|1,0,0]=3 22558 B13R1.555 CCCCNCc1ccccc1Cl 270004a_100000102301_100000210073 [0,2,0,0,0,0|1,0,0]=3 22559 B13R1.555 CCCCNCc1ccccc1Cl 34a_100000174879_100000210210 [0,2,0,0,0,0|1,0,0]=3 22560 B13R1.555 CCCCNCc1ccccc1Cl 7a_106832991798_100000187162 [0,2,0,0,0,0|1,0,0]=3 22561 B13R1.555 CCCCNCc1ccccc1F 207a_100000102301_100000210811 [0,2,0,0,0,0|1,0,0]=3 22562 B13R1.555 CCCCNCc1ccccc1F 2230a_100000102301_100000211605 [0,2,0,0,0,0|1,0,0]=3 22563 B13R1.555 CCCCNCc1ccccc1F 270004a_100000102301_100000210811 [0,2,0,0,0,0|1,0,0]=3 22564 B13R1.555 CCCCNCc1ccccc1F 34a_100000174869_100000210210 [0,2,0,0,0,0|1,0,0]=3 22565 B13R1.555 CCCCNCc1ccccc1F 7a_106832991798_100000211605 [0,2,0,0,0,0|1,0,0]=3 22566 B13R1.555 CCCCNCc1ccccc1I 207a_100000102301_100000010305 [0,2,0,0,0,0|1,0,0]=3 22567 B13R1.555 CCCCNCc1ccccc1I 2230a_100000102301_100011215278 [0,2,0,0,0,0|1,0,0]=3 22568 B13R1.555 CCCCNCc1ccccc1I 270004a_100000102301_100000010305 [0,2,0,0,0,0|1,0,0]=3 22569 B13R1.555 CCCCNCc1ccccc1I 7a_106832991798_100011215278 [0,2,0,0,0,0|1,0,0]=3 22570 B13R1.555 CCCCNCc1ccccc1O 34a_100000185550_100000210210 [0,2,0,0,0,0|1,0,0]=3 22571 B13R1.555 CCCCNCc1cccnc1Br 2230a_100000102301_100010140945 [0,2,0,0,0,0|2,0,0]=4 22572 B13R1.555 CCCCNCc1cccnc1Br 2230a_100009818023_100000210211 [0,2,0,0,0,0|2,0,0]=4 22573 B13R1.555 CCCCNCc1cccnc1Br 34a_100009818023_100000210210 [0,2,0,0,0,0|2,0,0]=4 22574 B13R1.555 CCCCNCc1cccnc1Br 7a_106832991798_100010140945 [0,2,0,0,0,0|2,0,0]=4 22575 B13R1.555 CCCCNCc1cccnc1C 207a_100000102301_100000751968 [0,2,0,0,0,0|2,0,0]=4 22576 B13R1.555 CCCCNCc1cccnc1C 2230a_100000102301_100000732876 [0,2,0,0,0,0|2,0,0]=4 22577 B13R1.555 CCCCNCc1cccnc1C 270004a_100000102301_100000751968 [0,2,0,0,0,0|2,0,0]=4 22578 B13R1.555 CCCCNCc1cccnc1C 7a_106832991798_100000732876 [0,2,0,0,0,0|2,0,0]=4 22579 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100000102301_100000045678 [0,2,0,0,0,0|2,0,0]=4 22580 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100015189234_100000210211 [0,2,0,0,0,0|2,0,0]=4 22581 B13R1.555 CCCCNCc1cccnc1Cl 34a_100015189234_100000210210 [0,2,0,0,0,0|2,0,0]=4 22582 B13R1.555 CCCCNCc1cccnc1Cl 7a_106832991798_100000045678 [0,2,0,0,0,0|2,0,0]=4 22583 B13R1.555 CCCCNCc1cccnc1F 2230a_100000102301_100000099810 [0,2,0,0,0,0|2,0,0]=4 22584 B13R1.555 CCCCNCc1cccnc1F 34a_100000724633_100000210210 [0,2,0,0,0,0|2,0,0]=4 22585 B13R1.555 CCCCNCc1cccnc1F 7a_106832991798_100000099810 [0,2,0,0,0,0|2,0,0]=4 22586 B13R1.555 CCCCNCc1cccnc1O 207a_100000102301_100011998315 [0,2,0,0,0,0|2,0,0]=4 22587 B13R1.555 CCCCNCc1cccnc1O 270004a_100000102301_100011998315 [0,2,0,0,0,0|2,0,0]=4 22588 B13R1.555 CCCCNCc1ccncc1Br 270004a_100000102301_100000755692 [0,2,0,0,0,0|2,0,0]=4 22589 B13R1.555 CCCCNCc1ccncc1C 2230a_100000102301_100020672808 [0,2,0,0,0,0|2,0,0]=4 22590 B13R1.555 CCCCNCc1ccncc1C 7a_106832991798_100020672808 [0,2,0,0,0,0|2,0,0]=4 22591 B13R1.555 CCCCNCc1ccncc1Cl 207a_100000102301_100011934409 [0,2,0,0,0,0|2,0,0]=4 22592 B13R1.555 CCCCNCc1ccncc1Cl 2230a_100000102301_100000763264 [0,2,0,0,0,0|2,0,0]=4 22593 B13R1.555 CCCCNCc1ccncc1Cl 270004a_100000102301_100011934409 [0,2,0,0,0,0|2,0,0]=4 22594 B13R1.555 CCCCNCc1ccncc1Cl 7a_106832991798_100000763264 [0,2,0,0,0,0|2,0,0]=4 22595 B13R1.555 CCCCNCc1ccncc1F 34a_100011935246_100000210210 [0,2,0,0,0,0|2,0,0]=4 22596 B13R1.555 CCCCNCc1cnccc1Br 270004a_100000102301_100009816821 [0,2,0,0,0,0|2,0,0]=4 22597 B13R1.555 CCCCNCc1cnccc1C 207a_100000102301_100000685662 [0,2,0,0,0,0|2,0,0]=4 22598 B13R1.555 CCCCNCc1cnccc1C 2230a_100000102301_100000690890 [0,2,0,0,0,0|2,0,0]=4 22599 B13R1.555 CCCCNCc1cnccc1C 270004a_100000102301_100000685662 [0,2,0,0,0,0|2,0,0]=4 22600 B13R1.555 CCCCNCc1cnccc1C 7a_106832991798_100000690890 [0,2,0,0,0,0|2,0,0]=4 22601 B13R1.555 CCCCNCc1cnccc1Cl 270004a_100000102301_100000050567 [0,2,0,0,0,0|2,0,0]=4 22602 B13R1.555 CCCCNCc1ncccc1Br 207a_100000102301_100011934733 [0,2,0,0,0,0|0,0,0]=2 22603 B13R1.555 CCCCNCc1ncccc1Br 2230a_100000102301_100025702911 [0,2,0,0,0,0|0,0,0]=2 22604 B13R1.555 CCCCNCc1ncccc1Br 270004a_100000102301_100011934733 [0,2,0,0,0,0|0,0,0]=2 22605 B13R1.555 CCCCNCc1ncccc1Br 7a_106832991798_100025702911 [0,2,0,0,0,0|0,0,0]=2 22606 B13R1.555 CCCCNCc1ncccc1C 207a_100000102301_100000698913 [0,2,0,0,0,0|0,0,0]=2 22607 B13R1.555 CCCCNCc1ncccc1C 2230a_100000102301_100000696600 [0,2,0,0,0,0|0,0,0]=2 22608 B13R1.555 CCCCNCc1ncccc1C 270004a_100000102301_100000698913 [0,2,0,0,0,0|0,0,0]=2 22609 B13R1.555 CCCCNCc1ncccc1C 34a_100011223789_100000210210 [0,2,0,0,0,0|0,0,0]=2 22610 B13R1.555 CCCCNCc1ncccc1C 7a_106832991798_100000696600 [0,2,0,0,0,0|0,0,0]=2 22611 B13R1.555 CCCCNCc1ncccc1Cl 207a_100000102301_100012001307 [0,2,0,0,0,0|0,0,0]=2 22612 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100000102301_100000099807 [0,2,0,0,0,0|0,0,0]=2 22613 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100015189233_100000210211 [0,2,0,0,0,0|0,0,0]=2 22614 B13R1.555 CCCCNCc1ncccc1Cl 270004a_100000102301_100012001307 [0,2,0,0,0,0|0,0,0]=2 22615 B13R1.555 CCCCNCc1ncccc1Cl 7a_106832991798_100000099807 [0,2,0,0,0,0|0,0,0]=2 22616 B13R1.555 CCCCNCc1ncccc1F 207a_100000102301_100011934734 [0,2,0,0,0,0|0,0,0]=2 22617 B13R1.555 CCCCNCc1ncccc1F 2230a_100000102301_100000104219 [0,2,0,0,0,0|0,0,0]=2 22618 B13R1.555 CCCCNCc1ncccc1F 270004a_100000102301_100011934734 [0,2,0,0,0,0|0,0,0]=2 22619 B13R1.555 CCCCNCc1ncccc1F 34a_100000690088_100000210210 [0,2,0,0,0,0|0,0,0]=2 22620 B13R1.555 CCCCNCc1ncccc1F 7a_106832991798_100000104219 [0,2,0,0,0,0|0,0,0]=2 22621 B13R1.555 CCCCNCc1ncccc1O 7a_106832991798_200020655725 [0,2,0,0,0,0|0,0,0]=2 22622 B13R1.555 CCCCNCc1nccnc1C 2230a_100020641712_100000210211 [0,2,0,0,0,0|1,0,0]=3 22623 B13R1.555 CCCCNCc1nccnc1C 270004a_100000102301_100000050726 [0,2,0,0,0,0|1,0,0]=3 22624 B13R1.555 CCCCNCc1nccnc1C 34a_100020641712_100000210210 [0,2,0,0,0,0|1,0,0]=3 22625 B13R1.555 CCCCNCc1nccnc1Cl 2230a_100000729963_100000210211 [0,2,0,0,0,0|1,0,0]=3 22626 B13R1.555 CCCCOCc1ccccc1Br 34a_100000210227_100000184730 [0,2,0,0,0,0|1,0,0]=3 22627 B13R1.555 CCCCOCc1ccccc1Br 34a_100000756307_100000210210 [0,2,0,0,0,0|1,0,0]=3 22628 B13R1.555 CCCCOCc1ccccc1Br 7a_100000210227_100000184730 [0,2,0,0,0,0|1,0,0]=3 22629 B13R1.555 CCCCOCc1ccccc1Br 7a_100000756307_100000210211 [0,2,0,0,0,0|1,0,0]=3 22630 B13R1.555 CCCCOCc1ccccc1C 34a_100000210227_100000211839 [0,2,0,0,0,0|1,0,0]=3 22631 B13R1.555 CCCCOCc1ccccc1C 34a_100000698903_100000210210 [0,2,0,0,0,0|1,0,0]=3 22632 B13R1.555 CCCCOCc1ccccc1C 7a_100000210227_100000211839 [0,2,0,0,0,0|1,0,0]=3 22633 B13R1.555 CCCCOCc1ccccc1C 7a_100000698903_100000210211 [0,2,0,0,0,0|1,0,0]=3 22634 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210227_100000187162 [0,2,0,0,0,0|1,0,0]=3 22635 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210847_100000210210 [0,2,0,0,0,0|1,0,0]=3 22636 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210227_100000187162 [0,2,0,0,0,0|1,0,0]=3 22637 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210847_100000210211 [0,2,0,0,0,0|1,0,0]=3 22638 B13R1.555 CCCCOCc1ccccc1F 34a_100000210227_100000211605 [0,2,0,0,0,0|1,0,0]=3 22639 B13R1.555 CCCCOCc1ccccc1F 34a_100000211962_100000210210 [0,2,0,0,0,0|1,0,0]=3 22640 B13R1.555 CCCCOCc1ccccc1F 7a_100000210227_100000211605 [0,2,0,0,0,0|1,0,0]=3 22641 B13R1.555 CCCCOCc1ccccc1F 7a_100000211962_100000210211 [0,2,0,0,0,0|1,0,0]=3 22642 B13R1.555 CCCCOCc1ccccc1I 34a_100000187465_100000210210 [0,2,0,0,0,0|1,0,0]=3 22643 B13R1.555 CCCCOCc1ccccc1I 34a_100000210227_100011215278 [0,2,0,0,0,0|1,0,0]=3 22644 B13R1.555 CCCCOCc1ccccc1I 7a_100000187465_100000210211 [0,2,0,0,0,0|1,0,0]=3 22645 B13R1.555 CCCCOCc1ccccc1I 7a_100000210227_100011215278 [0,2,0,0,0,0|1,0,0]=3 22646 B13R1.555 CCCCOCc1ccccc1N 34a_100000212039_100000210210 [0,2,0,0,0,0|1,0,0]=3 22647 B13R1.555 CCCCOCc1cccnc1Br 34a_100000210227_100010140945 [0,2,0,0,0,0|2,0,0]=4 22648 B13R1.555 CCCCOCc1cccnc1Br 34a_100000719692_100000210210 [0,2,0,0,0,0|2,0,0]=4 22649 B13R1.555 CCCCOCc1cccnc1Br 7a_100000210227_100010140945 [0,2,0,0,0,0|2,0,0]=4 22650 B13R1.555 CCCCOCc1cccnc1Br 7a_100000719692_100000210211 [0,2,0,0,0,0|2,0,0]=4 22651 B13R1.555 CCCCOCc1cccnc1C 34a_100000210227_100000732876 [0,2,0,0,0,0|2,0,0]=4 22652 B13R1.555 CCCCOCc1cccnc1C 34a_100000729262_100000210210 [0,2,0,0,0,0|2,0,0]=4 22653 B13R1.555 CCCCOCc1cccnc1C 7a_100000210227_100000732876 [0,2,0,0,0,0|2,0,0]=4 22654 B13R1.555 CCCCOCc1cccnc1C 7a_100000729262_100000210211 [0,2,0,0,0,0|2,0,0]=4 22655 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000210227_100000045678 [0,2,0,0,0,0|2,0,0]=4 22656 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000748726_100000210210 [0,2,0,0,0,0|2,0,0]=4 22657 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000210227_100000045678 [0,2,0,0,0,0|2,0,0]=4 22658 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000748726_100000210211 [0,2,0,0,0,0|2,0,0]=4 22659 B13R1.555 CCCCOCc1cccnc1F 34a_100000079888_100000210210 [0,2,0,0,0,0|2,0,0]=4 22660 B13R1.555 CCCCOCc1cccnc1F 34a_100000210227_100000099810 [0,2,0,0,0,0|2,0,0]=4 22661 B13R1.555 CCCCOCc1cccnc1F 7a_100000079888_100000210211 [0,2,0,0,0,0|2,0,0]=4 22662 B13R1.555 CCCCOCc1cccnc1F 7a_100000210227_100000099810 [0,2,0,0,0,0|2,0,0]=4 22663 B13R1.555 CCCCOCc1ccncc1C 34a_100000210227_100020672809 [0,2,0,0,0,0|2,0,0]=4 22664 B13R1.555 CCCCOCc1ccncc1C 34a_100011997032_100000210210 [0,2,0,0,0,0|2,0,0]=4 22665 B13R1.555 CCCCOCc1ccncc1C 7a_100000210227_100020672808 [0,2,0,0,0,0|2,0,0]=4 22666 B13R1.555 CCCCOCc1ccncc1Cl 7a_100000210227_100000763264 [0,2,0,0,0,0|2,0,0]=4 22667 B13R1.555 CCCCOCc1ccncc1F 34a_100012172863_100000210210 [0,2,0,0,0,0|2,0,0]=4 22668 B13R1.555 CCCCOCc1cnccc1C 34a_100000210227_100000690890 [0,2,0,0,0,0|2,0,0]=4 22669 B13R1.555 CCCCOCc1cnccc1C 34a_100011996381_100000210210 [0,2,0,0,0,0|2,0,0]=4 22670 B13R1.555 CCCCOCc1cnccc1C 7a_100000210227_100000690890 [0,2,0,0,0,0|2,0,0]=4 22671 B13R1.555 CCCCOCc1cnccc1Cl 34a_100000117392_100000210210 [0,2,0,0,0,0|2,0,0]=4 22672 B13R1.555 CCCCOCc1ncccc1Br 34a_100000210227_100025702911 [0,2,0,0,0,0|0,0,0]=2 22673 B13R1.555 CCCCOCc1ncccc1Br 34a_100011996772_100000210210 [0,2,0,0,0,0|0,0,0]=2 22674 B13R1.555 CCCCOCc1ncccc1Br 7a_100000210227_100025702911 [0,2,0,0,0,0|0,0,0]=2 22675 B13R1.555 CCCCOCc1ncccc1C 34a_100000210227_100000696600 [0,2,0,0,0,0|0,0,0]=2 22676 B13R1.555 CCCCOCc1ncccc1C 34a_100000698912_100000210210 [0,2,0,0,0,0|0,0,0]=2 22677 B13R1.555 CCCCOCc1ncccc1C 7a_100000210227_100000696600 [0,2,0,0,0,0|0,0,0]=2 22678 B13R1.555 CCCCOCc1ncccc1Cl 34a_100012002383_100000210210 [0,2,0,0,0,0|0,0,0]=2 22679 B13R1.555 CCCCOCc1ncccc1Cl 7a_100000210227_100000099807 [0,2,0,0,0,0|0,0,0]=2 22680 B13R1.555 CCCCOCc1ncccc1F 34a_100000210227_100000104219 [0,2,0,0,0,0|0,0,0]=2 22681 B13R1.555 CCCCOCc1ncccc1F 34a_100011934865_100000210210 [0,2,0,0,0,0|0,0,0]=2 22682 B13R1.555 CCCCOCc1ncccc1F 7a_100000210227_100000104219 [0,2,0,0,0,0|0,0,0]=2 22683 B13R1.555 CCCCOCc1ncccc1N 34a_114873767017_100000210210 [0,2,0,0,0,0|0,0,0]=2 22684 B13R1.555 CCCCOCc1ncccc1O 34a_100000210227_200020655725 [0,2,0,0,0,0|0,0,0]=2 22685 B13R1.555 CCCCOCc1ncccc1O 7a_100000210227_200020655725 [0,2,0,0,0,0|0,0,0]=2 22686 B13R1.555 CCCCOCc1nccnc1Cl 34a_100000057004_100000210210 [0,2,0,0,0,0|1,0,0]=3 22687 B13R1.555 CCCCSCc1ccccc1Br 62a_100000184730_100000210210 [0,2,0,0,0,0|1,0,0]=3 22688 B13R1.555 CCCCSCc1ccccc1Br 62a_100000210211_100000184730 [0,2,0,0,0,0|1,0,0]=3 22689 B13R1.555 CCCCSCc1ccccc1C 62a_100000210211_100000211839 [0,2,0,0,0,0|1,0,0]=3 22690 B13R1.555 CCCCSCc1ccccc1C 62a_100000211839_100000210210 [0,2,0,0,0,0|1,0,0]=3 22691 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000187162_100000210210 [0,2,0,0,0,0|1,0,0]=3 22692 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000210211_100000187162 [0,2,0,0,0,0|1,0,0]=3 22693 B13R1.555 CCCCSCc1ccccc1F 62a_100000210211_100000211605 [0,2,0,0,0,0|1,0,0]=3 22694 B13R1.555 CCCCSCc1ccccc1F 62a_100000211605_100000210210 [0,2,0,0,0,0|1,0,0]=3 22695 B13R1.555 CCCCSCc1ccccc1I 62a_100000210211_100011216222 [0,2,0,0,0,0|1,0,0]=3 22696 B13R1.555 CCCCSCc1ccccc1I 62a_100011216222_100000210210 [0,2,0,0,0,0|1,0,0]=3 22697 B13R1.555 CCCCSCc1ccccc1O 271570a_203496583355_200011870348 [0,2,0,0,0,0|1,0,0]=3 22698 B13R1.555 CCCCSCc1cccnc1Br 62a_100000210211_100010140945 [0,2,0,0,0,0|2,0,0]=4 22699 B13R1.555 CCCCSCc1cccnc1Br 62a_100010140945_100000210210 [0,2,0,0,0,0|2,0,0]=4 22700 B13R1.555 CCCCSCc1cccnc1C 62a_100000210211_100000732876 [0,2,0,0,0,0|2,0,0]=4 22701 B13R1.555 CCCCSCc1cccnc1C 62a_100000732876_100000210210 [0,2,0,0,0,0|2,0,0]=4 22702 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000045678_100000210210 [0,2,0,0,0,0|2,0,0]=4 22703 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000210211_100000045678 [0,2,0,0,0,0|2,0,0]=4 22704 B13R1.555 CCCCSCc1cccnc1F 62a_100000099810_100000210210 [0,2,0,0,0,0|2,0,0]=4 22705 B13R1.555 CCCCSCc1cccnc1F 62a_100000210211_100000099810 [0,2,0,0,0,0|2,0,0]=4 22706 B13R1.555 CCCCSCc1ccncc1C 62a_100000210211_100020672808 [0,2,0,0,0,0|2,0,0]=4 22707 B13R1.555 CCCCSCc1ccncc1C 62a_100020672808_100000210210 [0,2,0,0,0,0|2,0,0]=4 22708 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000210211_100000763264 [0,2,0,0,0,0|2,0,0]=4 22709 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000763264_100000210210 [0,2,0,0,0,0|2,0,0]=4 22710 B13R1.555 CCCCSCc1cnccc1C 62a_100000210211_100000690890 [0,2,0,0,0,0|2,0,0]=4 22711 B13R1.555 CCCCSCc1cnccc1C 62a_100000690890_100000210210 [0,2,0,0,0,0|2,0,0]=4 22712 B13R1.555 CCCCSCc1ncccc1Br 62a_100000210211_100025702911 [0,2,0,0,0,0|0,0,0]=2 22713 B13R1.555 CCCCSCc1ncccc1Br 62a_100025702911_100000210210 [0,2,0,0,0,0|0,0,0]=2 22714 B13R1.555 CCCCSCc1ncccc1C 62a_100000210211_100000696600 [0,2,0,0,0,0|0,0,0]=2 22715 B13R1.555 CCCCSCc1ncccc1C 62a_100000696600_100000210210 [0,2,0,0,0,0|0,0,0]=2 22716 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000099807_100000210210 [0,2,0,0,0,0|0,0,0]=2 22717 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000210211_100000099807 [0,2,0,0,0,0|0,0,0]=2 22718 B13R1.555 CCCCSCc1ncccc1F 62a_100000104219_100000210210 [0,2,0,0,0,0|0,0,0]=2 22719 B13R1.555 CCCCSCc1ncccc1F 62a_100000210211_100000104219 [0,2,0,0,0,0|0,0,0]=2 22720 B13R1.555 CCCCSCc1ncccc1O 62a_100000210211_200020655725 [0,2,0,0,0,0|0,0,0]=2 22721 B13R1.555 CCCCSCc1ncccc1O 62a_200020655725_100000210210 [0,2,0,0,0,0|0,0,0]=2 22722 B13R1.555 CCCNCCc1ccccc1Br 2230a_100000747383_100000210303 [0,2,0,0,0,0|1,0,0]=3 22723 B13R1.555 CCCNCCc1ccccc1Br 34a_100000747383_100000210303 [0,2,0,0,0,0|1,0,0]=3 22724 B13R1.555 CCCNCCc1ccccc1C 2230a_100000685071_100000210303 [0,2,0,0,0,0|1,0,0]=3 22725 B13R1.555 CCCNCCc1ccccc1C 34a_100000685071_100000210303 [0,2,0,0,0,0|1,0,0]=3 22726 B13R1.555 CCCNCCc1ccccc1Cl 2230a_100011207228_100000210303 [0,2,0,0,0,0|1,0,0]=3 22727 B13R1.555 CCCNCCc1ccccc1Cl 270004a_100020643023_200011713468 [0,2,0,0,0,0|1,0,0]=3 22728 B13R1.555 CCCNCCc1ccccc1Cl 34a_100011207228_100000210303 [0,2,0,0,0,0|1,0,0]=3 22729 B13R1.555 CCCNCCc1ccccc1F 2230a_100000185272_100000210303 [0,2,0,0,0,0|1,0,0]=3 22730 B13R1.555 CCCNCCc1ccccc1F 34a_100000185272_100000210303 [0,2,0,0,0,0|1,0,0]=3 22731 B13R1.555 CCCNCCc1ccccc1O 34a_100011207237_100000210303 [0,2,0,0,0,0|1,0,0]=3 22732 B13R1.555 CCCNCCn1ccccc1=O 2230a_100000687133_100000210303 [0,2,0,0,0,0|2,0,0]=4 22733 B13R1.555 CCCNN=Cc1ncccc1Br 4a_100000740057_100011934733 [0,2,0,0,0,0|1,0,1]=4 22734 B13R1.555 CCCNN=Cc1ncccc1C 4a_100000740057_100000698913 [0,2,0,0,0,0|1,0,1]=4 22735 B13R1.555 CCCNN=Cc1ncccc1Cl 4a_100000740057_100012001307 [0,2,0,0,0,0|1,0,1]=4 22736 B13R1.555 CCCNN=Cc1ncccc1F 4a_100000740057_100011934734 [0,2,0,0,0,0|1,0,1]=4 22737 B13R1.555 CCCNN=Cc1ncccc1O 4a_100000740057_100000042352 [0,2,0,0,0,0|1,0,1]=4 22738 B13R1.555 CCCOCCc1ccccc1Br 34a_100000210258_100012161201 [0,2,0,0,0,0|1,0,0]=3 22739 B13R1.555 CCCOCCc1ccccc1Br 34a_100000731337_100000210303 [0,2,0,0,0,0|1,0,0]=3 22740 B13R1.555 CCCOCCc1ccccc1Br 7a_100000731337_100000210303 [0,2,0,0,0,0|1,0,0]=3 22741 B13R1.555 CCCOCCc1ccccc1C 34a_100000210258_100011713688 [0,2,0,0,0,0|1,0,0]=3 22742 B13R1.555 CCCOCCc1ccccc1C 34a_100011220023_100000210303 [0,2,0,0,0,0|1,0,0]=3 22743 B13R1.555 CCCOCCc1ccccc1C 7a_100011220023_100000210303 [0,2,0,0,0,0|1,0,0]=3 22744 B13R1.555 CCCOCCc1ccccc1Cl 34a_100000210258_100011713703 [0,2,0,0,0,0|1,0,0]=3 22745 B13R1.555 CCCOCCc1ccccc1Cl 34a_100011215284_100000210303 [0,2,0,0,0,0|1,0,0]=3 22746 B13R1.555 CCCOCCc1ccccc1Cl 7a_100011215284_100000210303 [0,2,0,0,0,0|1,0,0]=3 22747 B13R1.555 CCCOCCc1ccccc1F 34a_100000210258_100000720011 [0,2,0,0,0,0|1,0,0]=3 22748 B13R1.555 CCCOCCc1ccccc1F 34a_100000753711_100000210303 [0,2,0,0,0,0|1,0,0]=3 22749 B13R1.555 CCCOCCc1ccccc1F 7a_100000753711_100000210303 [0,2,0,0,0,0|1,0,0]=3 22750 B13R1.555 CCCOCCc1ccccc1I 34a_100010255290_100000210303 [0,2,0,0,0,0|1,0,0]=3 22751 B13R1.555 CCCOCCc1ccccc1I 7a_100010255290_100000210303 [0,2,0,0,0,0|1,0,0]=3 22752 B13R1.555 CCCOCCc1ccccc1N 34a_100011215289_100000210303 [0,2,0,0,0,0|1,0,0]=3 22753 B13R1.555 CCCOCCc1ccccc1O 34a_100000210258_100000722297 [0,2,0,0,0,0|1,0,0]=3 22754 B13R1.555 CCCOCCc1ncccc1C 34a_100011997706_100000210303 [0,2,0,0,0,0|0,0,0]=2 22755 B13R1.555 CCCOCCc1ncccc1C 7a_100011997706_100000210303 [0,2,0,0,0,0|0,0,0]=2 22756 B13R1.555 CCCSCCc1ccccc1Br 62a_100000210303_100012161201 [0,2,0,0,0,0|1,0,0]=3 22757 B13R1.555 CCCSCCc1ccccc1Br 62a_100012161201_100000210303 [0,2,0,0,0,0|1,0,0]=3 22758 B13R1.555 CCCSCCc1ccccc1C 62a_100000210303_100011713688 [0,2,0,0,0,0|1,0,0]=3 22759 B13R1.555 CCCSCCc1ccccc1C 62a_100011713688_100000210303 [0,2,0,0,0,0|1,0,0]=3 22760 B13R1.555 CCCSCCc1ccccc1Cl 62a_100000210303_100011713703 [0,2,0,0,0,0|1,0,0]=3 22761 B13R1.555 CCCSCCc1ccccc1Cl 62a_100011713703_100000210303 [0,2,0,0,0,0|1,0,0]=3 22762 B13R1.555 CCCSCCc1ccccc1F 62a_100000210303_100011713696 [0,2,0,0,0,0|1,0,0]=3 22763 B13R1.555 CCCSCCc1ccccc1F 62a_100011713696_100000210303 [0,2,0,0,0,0|1,0,0]=3 22764 B13R1.555 CCCSCCc1ccccc1O 62a_100000210303_100000722297 [0,2,0,0,0,0|1,0,0]=3 22765 B13R1.555 CCCSCCc1ccccc1O 62a_100000722297_100000210303 [0,2,0,0,0,0|1,0,0]=3 22766 B13R1.555 CCNCCCc1ccccc1Br 2230a_100015525214_200011713681 [0,2,0,0,0,0|1,0,0]=3 22767 B13R1.555 CCNCCCc1ccccc1F 2230a_100000724733_100000210202 [0,2,0,0,0,0|1,0,0]=3 22768 B13R1.555 CCNCCCc1ccccc1F 34a_100000724733_100000210202 [0,2,0,0,0,0|1,0,0]=3 22769 B13R1.555 CCNCCOc1ccccc1Br 2230a_100000744007_100000210202 [0,2,0,0,0,0|2,0,0]=4 22770 B13R1.555 CCNCCOc1ccccc1Br 2230a_100015525214_100000695877 [0,2,0,0,0,0|2,0,0]=4 22771 B13R1.555 CCNCCOc1ccccc1Br 34a_100000744007_100000210202 [0,2,0,0,0,0|2,0,0]=4 22772 B13R1.555 CCNCCOc1ccccc1C 2230a_100000743344_100000210202 [0,2,0,0,0,0|2,0,0]=4 22773 B13R1.555 CCNCCOc1ccccc1C 2230a_100015525214_100000184434 [0,2,0,0,0,0|2,0,0]=4 22774 B13R1.555 CCNCCOc1ccccc1C 34a_100000743344_100000210202 [0,2,0,0,0,0|2,0,0]=4 22775 B13R1.555 CCNCCOc1ccccc1Cl 2230a_100000174932_100000210202 [0,2,0,0,0,0|2,0,0]=4 22776 B13R1.555 CCNCCOc1ccccc1Cl 34a_100000174932_100000210202 [0,2,0,0,0,0|2,0,0]=4 22777 B13R1.555 CCNCCOc1ccccc1F 2230a_100000683764_100000210202 [0,2,0,0,0,0|2,0,0]=4 22778 B13R1.555 CCNCCOc1ccccc1F 2230a_100015525214_100000183290 [0,2,0,0,0,0|2,0,0]=4 22779 B13R1.555 CCNCCOc1ccccc1F 34a_100000683764_100000210202 [0,2,0,0,0,0|2,0,0]=4 22780 B13R1.555 CCOCCCc1ccccc1Br 34a_100000699526_100000210202 [0,2,0,0,0,0|1,0,0]=3 22781 B13R1.555 CCOCCCc1ccccc1Br 34a_100121572206_200011713681 [0,2,0,0,0,0|1,0,0]=3 22782 B13R1.555 CCOCCCc1ccccc1Br 7a_100000699526_100000210202 [0,2,0,0,0,0|1,0,0]=3 22783 B13R1.555 CCOCCCc1ccccc1Cl 34a_100011709251_100000210202 [0,2,0,0,0,0|1,0,0]=3 22784 B13R1.555 CCOCCCc1ccccc1Cl 7a_100011709251_100000210202 [0,2,0,0,0,0|1,0,0]=3 22785 B13R1.555 CCOCCCc1ccccc1F 34a_100011709249_100000210202 [0,2,0,0,0,0|1,0,0]=3 22786 B13R1.555 CCOCCCc1ccccc1F 7a_100011709249_100000210202 [0,2,0,0,0,0|1,0,0]=3 22787 B13R1.555 CCOCCNc1ccccc1Br 34a_100000210017_100000210147 [0,2,0,0,0,0|2,0,0]=4 22788 B13R1.555 CCOCCNc1ccccc1C 34a_100011233185_100000210202 [0,2,0,0,0,0|2,0,0]=4 22789 B13R1.555 CCOCCNc1ccccc1C 34a_100015192222_100000210147 [0,2,0,0,0,0|2,0,0]=4 22790 B13R1.555 CCOCCNc1ccccc1Cl 34a_100000185783_100000210147 [0,2,0,0,0,0|2,0,0]=4 22791 B13R1.555 CCOCCNc1ccccc1F 34a_100000210422_100000210147 [0,2,0,0,0,0|2,0,0]=4 22792 B13R1.555 CCOCCNc1ccccc1I 34a_100000210053_100000210147 [0,2,0,0,0,0|2,0,0]=4 22793 B13R1.555 CCOCCNc1ccccc1N 34a_100000683943_100000210202 [0,2,0,0,0,0|2,0,0]=4 22794 B13R1.555 CCOCCNc1ccccc1O 34a_100000185747_100000210147 [0,2,0,0,0,0|2,0,0]=4 22795 B13R1.555 CCOCCNc1ncccc1Br 27a_100011200944_100000696092 [0,2,0,0,0,0|1,0,0]=3 22796 B13R1.555 CCOCCNc1nccnc1C 27a_100011200944_100011999405 [0,2,0,0,0,0|2,0,0]=4 22797 B13R1.555 CCOCCNc1nccnc1F 27a_100011200944_200010125657 [0,2,0,0,0,0|2,0,0]=4 22798 B13R1.555 CCOCCNc1ncncc1C 27a_100011200944_100011998708 [0,2,0,0,0,0|2,0,0]=4 22799 B13R1.555 CCOCCNc1ncncc1F 27a_100011200944_100000069762 [0,2,0,0,0,0|2,0,0]=4 22800 B13R1.555 CCOCCNc1ncncc1N 27a_100011200944_100000709731 [0,2,0,0,0,0|2,0,0]=4 22801 B13R1.555 CCOCCNc1nnccc1C 27a_100011200944_100000089043 [0,2,0,0,0,0|2,0,0]=4 22802 B13R1.555 CCOCCOc1cccc[n+]1[O-] 7a_100000211761_100011215890 [0,2,0,0,0,0|1,0,1]=4 22803 B13R1.555 CCOCCOc1ccccc1Br 34a_100000181306_100000210147 [0,2,0,0,0,0|2,0,0]=4 22804 B13R1.555 CCOCCOc1ccccc1Br 34a_100000230753_100000210202 [0,2,0,0,0,0|2,0,0]=4 22805 B13R1.555 CCOCCOc1ccccc1Br 34a_100121572206_100000695877 [0,2,0,0,0,0|2,0,0]=4 22806 B13R1.555 CCOCCOc1ccccc1Br 7a_100000181306_100011215890 [0,2,0,0,0,0|2,0,0]=4 22807 B13R1.555 CCOCCOc1ccccc1Br 7a_100000230753_100000210202 [0,2,0,0,0,0|2,0,0]=4 22808 B13R1.555 CCOCCOc1ccccc1C 34a_100000210338_100000210147 [0,2,0,0,0,0|2,0,0]=4 22809 B13R1.555 CCOCCOc1ccccc1C 34a_100121572206_100000184434 [0,2,0,0,0,0|2,0,0]=4 22810 B13R1.555 CCOCCOc1ccccc1C 7a_100000210338_100011215890 [0,2,0,0,0,0|2,0,0]=4 22811 B13R1.555 CCOCCOc1ccccc1Cl 34a_100000210172_100000210147 [0,2,0,0,0,0|2,0,0]=4 22812 B13R1.555 CCOCCOc1ccccc1Cl 34a_200000230518_100000210202 [0,2,0,0,0,0|2,0,0]=4 22813 B13R1.555 CCOCCOc1ccccc1Cl 7a_100000210172_100011215890 [0,2,0,0,0,0|2,0,0]=4 22814 B13R1.555 CCOCCOc1ccccc1Cl 7a_200000230518_100000210202 [0,2,0,0,0,0|2,0,0]=4 22815 B13R1.555 CCOCCOc1ccccc1F 34a_100000210171_100000210147 [0,2,0,0,0,0|2,0,0]=4 22816 B13R1.555 CCOCCOc1ccccc1F 34a_100000756447_100000210202 [0,2,0,0,0,0|2,0,0]=4 22817 B13R1.555 CCOCCOc1ccccc1F 34a_100121572206_100000183290 [0,2,0,0,0,0|2,0,0]=4 22818 B13R1.555 CCOCCOc1ccccc1F 7a_100000210171_100011215890 [0,2,0,0,0,0|2,0,0]=4 22819 B13R1.555 CCOCCOc1ccccc1F 7a_100000756447_100000210202 [0,2,0,0,0,0|2,0,0]=4 22820 B13R1.555 CCOCCOc1ccccc1I 34a_100000739446_100000210147 [0,2,0,0,0,0|2,0,0]=4 22821 B13R1.555 CCOCCOc1ccccc1I 7a_100000739446_100011215890 [0,2,0,0,0,0|2,0,0]=4 22822 B13R1.555 CCOCCOc1ccccc1N 34a_100000185747_100000210147 [0,2,0,0,0,0|2,0,0]=4 22823 B13R1.555 CCOCCOc1ccccc1N 34a_100132302172_100000210202 [0,2,0,0,0,0|2,0,0]=4 22824 B13R1.555 CCOCCOc1ccccc1N 7a_100000185747_100011215890 [0,2,0,0,0,0|2,0,0]=4 22825 B13R1.555 CCOCCOc1ncccc1Cl 34a_100011290957_100000210147 [0,2,0,0,0,0|1,0,0]=3 22826 B13R1.555 CCOCCOc1ncccc1F 34a_100011219419_100000210147 [0,2,0,0,0,0|1,0,0]=3 22827 B13R1.555 CCOCCOc1ncccc1N 34a_100000746358_100000210147 [0,2,0,0,0,0|1,0,0]=3 22828 B13R1.555 CCOCCOc1nccnc1C 34a_100000766352_100000210147 [0,2,0,0,0,0|2,0,0]=4 22829 B13R1.555 CCOCCSc1cccc[n+]1C 62a_100000210147_100000212160 [0,2,0,0,0,0|1,0,1]=4 22830 B13R1.555 CCOCCSc1cccc[n+]1[O-] 62a_100000210147_200000042595 [0,2,0,0,0,0|1,0,1]=4 22831 B13R1.555 CCOCCSc1ccccc1Br 34a_200000230852_100000210202 [0,2,0,0,0,0|2,0,0]=4 22832 B13R1.555 CCOCCSc1ccccc1Br 62a_100000210147_100000695589 [0,2,0,0,0,0|2,0,0]=4 22833 B13R1.555 CCOCCSc1ccccc1Br 62a_100000695589_100011215890 [0,2,0,0,0,0|2,0,0]=4 22834 B13R1.555 CCOCCSc1ccccc1Br 7a_200000230852_100000210202 [0,2,0,0,0,0|2,0,0]=4 22835 B13R1.555 CCOCCSc1ccccc1C 62a_100000210147_100000210755 [0,2,0,0,0,0|2,0,0]=4 22836 B13R1.555 CCOCCSc1ccccc1C 62a_100000210755_100011215890 [0,2,0,0,0,0|2,0,0]=4 22837 B13R1.555 CCOCCSc1ccccc1Cl 34a_200000230572_100000210202 [0,2,0,0,0,0|2,0,0]=4 22838 B13R1.555 CCOCCSc1ccccc1Cl 62a_100000210147_100000764095 [0,2,0,0,0,0|2,0,0]=4 22839 B13R1.555 CCOCCSc1ccccc1Cl 62a_100000764095_100011215890 [0,2,0,0,0,0|2,0,0]=4 22840 B13R1.555 CCOCCSc1ccccc1Cl 7a_200000230572_100000210202 [0,2,0,0,0,0|2,0,0]=4 22841 B13R1.555 CCOCCSc1ccccc1F 34a_200000230732_100000210202 [0,2,0,0,0,0|2,0,0]=4 22842 B13R1.555 CCOCCSc1ccccc1F 62a_100000210147_100011215700 [0,2,0,0,0,0|2,0,0]=4 22843 B13R1.555 CCOCCSc1ccccc1F 62a_100011215700_100011215890 [0,2,0,0,0,0|2,0,0]=4 22844 B13R1.555 CCOCCSc1ccccc1F 7a_200000230732_100000210202 [0,2,0,0,0,0|2,0,0]=4 22845 B13R1.555 CCOCCSc1ccccc1N 62a_100000210017_100011215890 [0,2,0,0,0,0|2,0,0]=4 22846 B13R1.555 CCOCCSc1ccccc1N 62a_100000210147_100000210017 [0,2,0,0,0,0|2,0,0]=4 22847 B13R1.555 CCOCCSc1ccccc1O 62a_100000210147_100000739446 [0,2,0,0,0,0|2,0,0]=4 22848 B13R1.555 CCOCCSc1ccccc1O 62a_100000739446_100011215890 [0,2,0,0,0,0|2,0,0]=4 22849 B13R1.555 CCOCCSc1ncc[nH]c1=O 62a_100000210147_100000763361 [0,2,0,0,0,0|2,0,0]=4 22850 B13R1.555 CCOCCSc1ncccc1Br 62a_100000210147_100000696092 [0,2,0,0,0,0|1,0,0]=3 22851 B13R1.555 CCOCCSc1ncccc1Br 62a_100000696092_100011215890 [0,2,0,0,0,0|1,0,0]=3 22852 B13R1.555 CCOCCSc1ncccc1C 62a_100000210147_100000751373 [0,2,0,0,0,0|1,0,0]=3 22853 B13R1.555 CCOCCSc1ncccc1C 62a_100000751373_100011215890 [0,2,0,0,0,0|1,0,0]=3 22854 B13R1.555 CCOCCSc1ncccc1Cl 62a_100000210147_100011356963 [0,2,0,0,0,0|1,0,0]=3 22855 B13R1.555 CCOCCSc1ncccc1Cl 62a_100011356963_100011215890 [0,2,0,0,0,0|1,0,0]=3 22856 B13R1.555 CCOCCSc1ncccc1F 62a_100000210147_100000685392 [0,2,0,0,0,0|1,0,0]=3 22857 B13R1.555 CCOCCSc1ncccc1F 62a_100000685392_100011215890 [0,2,0,0,0,0|1,0,0]=3 22858 B13R1.555 CCOCCSc1ncccc1N 62a_100000210147_100000688686 [0,2,0,0,0,0|1,0,0]=3 22859 B13R1.555 CCOCCSc1ncccc1N 62a_100000688686_100011215890 [0,2,0,0,0,0|1,0,0]=3 22860 B13R1.555 CCOCCSc1ncccc1O 62a_100000034122_100011215890 [0,2,0,0,0,0|1,0,0]=3 22861 B13R1.555 CCOCCSc1ncccc1O 62a_100000210147_100000034122 [0,2,0,0,0,0|1,0,0]=3 22862 B13R1.555 CCOCCSc1nccnc1C 62a_100000210147_100011999405 [0,2,0,0,0,0|2,0,0]=4 22863 B13R1.555 CCOCCSc1nccnc1C 62a_100011999405_100011215890 [0,2,0,0,0,0|2,0,0]=4 22864 B13R1.555 CCOCCSc1nccnc1Cl 62a_100000210147_100010886584 [0,2,0,0,0,0|2,0,0]=4 22865 B13R1.555 CCOCCSc1nccnc1Cl 62a_100010886584_100011215890 [0,2,0,0,0,0|2,0,0]=4 22866 B13R1.555 CCOCCSc1nccnc1F 62a_100000210147_200010125657 [0,2,0,0,0,0|2,0,0]=4 22867 B13R1.555 CCOCCSc1nccnc1F 62a_200010125657_100011215890 [0,2,0,0,0,0|2,0,0]=4 22868 B13R1.555 CCOCCSc1nccnc1N 62a_100000210147_100000747729 [0,2,0,0,0,0|2,0,0]=4 22869 B13R1.555 CCOCCSc1nccnc1N 62a_100000747729_100011215890 [0,2,0,0,0,0|2,0,0]=4 22870 B13R1.555 CCOCCSc1ncncc1C 62a_100000210147_100011998708 [0,2,0,0,0,0|2,0,0]=4 22871 B13R1.555 CCOCCSc1ncncc1C 62a_100011998708_100011215890 [0,2,0,0,0,0|2,0,0]=4 22872 B13R1.555 CCOCCSc1ncncc1F 62a_100000069762_100011215890 [0,2,0,0,0,0|2,0,0]=4 22873 B13R1.555 CCOCCSc1ncncc1F 62a_100000210147_100000069762 [0,2,0,0,0,0|2,0,0]=4 22874 B13R1.555 CCOCCSc1ncncc1N 62a_100000210147_100000709731 [0,2,0,0,0,0|2,0,0]=4 22875 B13R1.555 CCOCCSc1ncncc1N 62a_100000709731_100011215890 [0,2,0,0,0,0|2,0,0]=4 22876 B13R1.555 CCOCCSc1nnccc1C 62a_100000210147_100000089043 [0,2,0,0,0,0|2,0,0]=4 22877 B13R1.555 CCOCSCc1ccccc1Br 62a_100000184730_100000739092 [0,2,0,0,0,0|2,0,0]=4 22878 B13R1.555 CCOCSCc1ccccc1Br 62a_100000739092_100000184730 [0,2,0,0,0,0|2,0,0]=4 22879 B13R1.555 CCOCSCc1ccccc1C 62a_100000211839_100000739092 [0,2,0,0,0,0|2,0,0]=4 22880 B13R1.555 CCOCSCc1ccccc1C 62a_100000739092_100000211839 [0,2,0,0,0,0|2,0,0]=4 22881 B13R1.555 CCOCSCc1ccccc1Cl 62a_100000187162_100000739092 [0,2,0,0,0,0|2,0,0]=4 22882 B13R1.555 CCOCSCc1ccccc1Cl 62a_100000739092_100000187162 [0,2,0,0,0,0|2,0,0]=4 22883 B13R1.555 CCOCSCc1ccccc1F 62a_100000211605_100000739092 [0,2,0,0,0,0|2,0,0]=4 22884 B13R1.555 CCOCSCc1ccccc1F 62a_100000739092_100000211605 [0,2,0,0,0,0|2,0,0]=4 22885 B13R1.555 CCOCSCc1ccccc1I 62a_100000739092_100011216222 [0,2,0,0,0,0|2,0,0]=4 22886 B13R1.555 CCOCSCc1ccccc1I 62a_100011216222_100000739092 [0,2,0,0,0,0|2,0,0]=4 22887 B13R1.555 CCOCSCc1ncccc1Br 62a_100000739092_100025702911 [0,2,0,0,0,0|1,0,0]=3 22888 B13R1.555 CCOCSCc1ncccc1Br 62a_100025702911_100000739092 [0,2,0,0,0,0|1,0,0]=3 22889 B13R1.555 CCOCSCc1ncccc1C 62a_100000696600_100000739092 [0,2,0,0,0,0|1,0,0]=3 22890 B13R1.555 CCOCSCc1ncccc1C 62a_100000739092_100000696600 [0,2,0,0,0,0|1,0,0]=3 22891 B13R1.555 CCOCSCc1ncccc1Cl 62a_100000099807_100000739092 [0,2,0,0,0,0|1,0,0]=3 22892 B13R1.555 CCOCSCc1ncccc1Cl 62a_100000739092_100000099807 [0,2,0,0,0,0|1,0,0]=3 22893 B13R1.555 CCOCSCc1ncccc1F 62a_100000104219_100000739092 [0,2,0,0,0,0|1,0,0]=3 22894 B13R1.555 CCOCSCc1ncccc1F 62a_100000739092_100000104219 [0,2,0,0,0,0|1,0,0]=3 22895 B13R1.555 CCOCSCc1ncccc1O 62a_100000739092_200020655725 [0,2,0,0,0,0|1,0,0]=3 22896 B13R1.555 CCOCSCc1ncccc1O 62a_200020655725_100000739092 [0,2,0,0,0,0|1,0,0]=3 22897 B13R1.555 CCSCCCc1ccccc1Br 62a_100000210202_200011713681 [0,2,0,0,0,0|1,0,0]=3 22898 B13R1.555 CCSCCCc1ccccc1Br 62a_200011713681_100000210202 [0,2,0,0,0,0|1,0,0]=3 22899 B13R1.555 CCSCCNc1ccccc1Br 34a_100000210017_100000757381 [0,2,0,0,0,0|2,0,0]=4 22900 B13R1.555 CCSCCNc1ccccc1C 34a_100015192222_100000757381 [0,2,0,0,0,0|2,0,0]=4 22901 B13R1.555 CCSCCNc1ccccc1Cl 34a_100000185783_100000757381 [0,2,0,0,0,0|2,0,0]=4 22902 B13R1.555 CCSCCNc1ccccc1F 34a_100000210422_100000757381 [0,2,0,0,0,0|2,0,0]=4 22903 B13R1.555 CCSCCNc1ccccc1I 34a_100000210053_100000757381 [0,2,0,0,0,0|2,0,0]=4 22904 B13R1.555 CCSCCNc1ccccc1O 34a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 22905 B13R1.555 CCSCCNc1ncccc1Br 27a_100000106463_100000696092 [0,2,0,0,0,0|1,0,0]=3 22906 B13R1.555 CCSCCNc1nccnc1C 27a_100000106463_100011999405 [0,2,0,0,0,0|2,0,0]=4 22907 B13R1.555 CCSCCNc1nccnc1F 27a_100000106463_200010125657 [0,2,0,0,0,0|2,0,0]=4 22908 B13R1.555 CCSCCNc1ncncc1C 27a_100000106463_100011998708 [0,2,0,0,0,0|2,0,0]=4 22909 B13R1.555 CCSCCNc1ncncc1F 27a_100000106463_100000069762 [0,2,0,0,0,0|2,0,0]=4 22910 B13R1.555 CCSCCNc1ncncc1N 27a_100000106463_100000709731 [0,2,0,0,0,0|2,0,0]=4 22911 B13R1.555 CCSCCNc1nnccc1C 27a_100000106463_100000089043 [0,2,0,0,0,0|2,0,0]=4 22912 B13R1.555 CCSCCOc1cccc[n+]1[O-] 7a_100000211761_100000757381 [0,2,0,0,0,0|1,0,1]=4 22913 B13R1.555 CCSCCOc1ccccc1Br 34a_100000181306_100000757381 [0,2,0,0,0,0|2,0,0]=4 22914 B13R1.555 CCSCCOc1ccccc1Br 62a_100000210202_100000695877 [0,2,0,0,0,0|2,0,0]=4 22915 B13R1.555 CCSCCOc1ccccc1Br 62a_100000695877_100000210202 [0,2,0,0,0,0|2,0,0]=4 22916 B13R1.555 CCSCCOc1ccccc1Br 7a_100000181306_100000757381 [0,2,0,0,0,0|2,0,0]=4 22917 B13R1.555 CCSCCOc1ccccc1C 34a_100000210338_100000757381 [0,2,0,0,0,0|2,0,0]=4 22918 B13R1.555 CCSCCOc1ccccc1C 62a_100000184434_100000210202 [0,2,0,0,0,0|2,0,0]=4 22919 B13R1.555 CCSCCOc1ccccc1C 62a_100000210202_100000184434 [0,2,0,0,0,0|2,0,0]=4 22920 B13R1.555 CCSCCOc1ccccc1C 7a_100000210338_100000757381 [0,2,0,0,0,0|2,0,0]=4 22921 B13R1.555 CCSCCOc1ccccc1Cl 34a_100000210172_100000757381 [0,2,0,0,0,0|2,0,0]=4 22922 B13R1.555 CCSCCOc1ccccc1Cl 7a_100000210172_100000757381 [0,2,0,0,0,0|2,0,0]=4 22923 B13R1.555 CCSCCOc1ccccc1F 34a_100000210171_100000757381 [0,2,0,0,0,0|2,0,0]=4 22924 B13R1.555 CCSCCOc1ccccc1F 62a_100000183290_100000210202 [0,2,0,0,0,0|2,0,0]=4 22925 B13R1.555 CCSCCOc1ccccc1F 62a_100000210202_100000183290 [0,2,0,0,0,0|2,0,0]=4 22926 B13R1.555 CCSCCOc1ccccc1F 7a_100000210171_100000757381 [0,2,0,0,0,0|2,0,0]=4 22927 B13R1.555 CCSCCOc1ccccc1I 34a_100000739446_100000757381 [0,2,0,0,0,0|2,0,0]=4 22928 B13R1.555 CCSCCOc1ccccc1I 7a_100000739446_100000757381 [0,2,0,0,0,0|2,0,0]=4 22929 B13R1.555 CCSCCOc1ccccc1N 34a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 22930 B13R1.555 CCSCCOc1ccccc1N 7a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 22931 B13R1.555 CCSCCOc1ncccc1Cl 34a_100011290957_100000757381 [0,2,0,0,0,0|1,0,0]=3 22932 B13R1.555 CCSCCOc1ncccc1F 34a_100011219419_100000757381 [0,2,0,0,0,0|1,0,0]=3 22933 B13R1.555 CCSCCOc1ncccc1N 34a_100000746358_100000757381 [0,2,0,0,0,0|1,0,0]=3 22934 B13R1.555 CCSCCOc1nccnc1C 34a_100000766352_100000757381 [0,2,0,0,0,0|2,0,0]=4 22935 B13R1.555 CCSCCSc1cccc[n+]1C 62a_100000757381_100000212160 [0,2,0,0,0,0|1,0,1]=4 22936 B13R1.555 CCSCCSc1cccc[n+]1[O-] 62a_100000757381_200000042595 [0,2,0,0,0,0|1,0,1]=4 22937 B13R1.555 CCSCCSc1ccccc1Br 62a_100000695589_100000757381 [0,2,0,0,0,0|2,0,0]=4 22938 B13R1.555 CCSCCSc1ccccc1Br 62a_100000757381_100000695589 [0,2,0,0,0,0|2,0,0]=4 22939 B13R1.555 CCSCCSc1ccccc1C 62a_100000210755_100000757381 [0,2,0,0,0,0|2,0,0]=4 22940 B13R1.555 CCSCCSc1ccccc1C 62a_100000757381_100000210755 [0,2,0,0,0,0|2,0,0]=4 22941 B13R1.555 CCSCCSc1ccccc1Cl 62a_100000757381_100000764095 [0,2,0,0,0,0|2,0,0]=4 22942 B13R1.555 CCSCCSc1ccccc1Cl 62a_100000764095_100000757381 [0,2,0,0,0,0|2,0,0]=4 22943 B13R1.555 CCSCCSc1ccccc1F 62a_100000757381_100011215700 [0,2,0,0,0,0|2,0,0]=4 22944 B13R1.555 CCSCCSc1ccccc1F 62a_100011215700_100000757381 [0,2,0,0,0,0|2,0,0]=4 22945 B13R1.555 CCSCCSc1ccccc1N 62a_100000210017_100000757381 [0,2,0,0,0,0|2,0,0]=4 22946 B13R1.555 CCSCCSc1ccccc1N 62a_100000757381_100000210017 [0,2,0,0,0,0|2,0,0]=4 22947 B13R1.555 CCSCCSc1ccccc1O 62a_100000739446_100000757381 [0,2,0,0,0,0|2,0,0]=4 22948 B13R1.555 CCSCCSc1ccccc1O 62a_100000757381_100000739446 [0,2,0,0,0,0|2,0,0]=4 22949 B13R1.555 CCSCCSc1ncc[nH]c1=O 62a_100000757381_100000763361 [0,2,0,0,0,0|2,0,0]=4 22950 B13R1.555 CCSCCSc1ncccc1Br 62a_100000696092_100000757381 [0,2,0,0,0,0|1,0,0]=3 22951 B13R1.555 CCSCCSc1ncccc1Br 62a_100000757381_100000696092 [0,2,0,0,0,0|1,0,0]=3 22952 B13R1.555 CCSCCSc1ncccc1C 62a_100000751373_100000757381 [0,2,0,0,0,0|1,0,0]=3 22953 B13R1.555 CCSCCSc1ncccc1C 62a_100000757381_100000751373 [0,2,0,0,0,0|1,0,0]=3 22954 B13R1.555 CCSCCSc1ncccc1Cl 62a_100000757381_100011356963 [0,2,0,0,0,0|1,0,0]=3 22955 B13R1.555 CCSCCSc1ncccc1Cl 62a_100011356963_100000757381 [0,2,0,0,0,0|1,0,0]=3 22956 B13R1.555 CCSCCSc1ncccc1F 62a_100000685392_100000757381 [0,2,0,0,0,0|1,0,0]=3 22957 B13R1.555 CCSCCSc1ncccc1F 62a_100000757381_100000685392 [0,2,0,0,0,0|1,0,0]=3 22958 B13R1.555 CCSCCSc1ncccc1N 62a_100000688686_100000757381 [0,2,0,0,0,0|1,0,0]=3 22959 B13R1.555 CCSCCSc1ncccc1N 62a_100000757381_100000688686 [0,2,0,0,0,0|1,0,0]=3 22960 B13R1.555 CCSCCSc1ncccc1O 62a_100000034122_100000757381 [0,2,0,0,0,0|1,0,0]=3 22961 B13R1.555 CCSCCSc1ncccc1O 62a_100000757381_100000034122 [0,2,0,0,0,0|1,0,0]=3 22962 B13R1.555 CCSCCSc1nccnc1C 62a_100000757381_100011999405 [0,2,0,0,0,0|2,0,0]=4 22963 B13R1.555 CCSCCSc1nccnc1C 62a_100011999405_100000757381 [0,2,0,0,0,0|2,0,0]=4 22964 B13R1.555 CCSCCSc1nccnc1Cl 62a_100000757381_100010886584 [0,2,0,0,0,0|2,0,0]=4 22965 B13R1.555 CCSCCSc1nccnc1Cl 62a_100010886584_100000757381 [0,2,0,0,0,0|2,0,0]=4 22966 B13R1.555 CCSCCSc1nccnc1F 62a_100000757381_200010125657 [0,2,0,0,0,0|2,0,0]=4 22967 B13R1.555 CCSCCSc1nccnc1F 62a_200010125657_100000757381 [0,2,0,0,0,0|2,0,0]=4 22968 B13R1.555 CCSCCSc1nccnc1N 62a_100000747729_100000757381 [0,2,0,0,0,0|2,0,0]=4 22969 B13R1.555 CCSCCSc1nccnc1N 62a_100000757381_100000747729 [0,2,0,0,0,0|2,0,0]=4 22970 B13R1.555 CCSCCSc1ncncc1C 62a_100000757381_100011998708 [0,2,0,0,0,0|2,0,0]=4 22971 B13R1.555 CCSCCSc1ncncc1C 62a_100011998708_100000757381 [0,2,0,0,0,0|2,0,0]=4 22972 B13R1.555 CCSCCSc1ncncc1F 62a_100000069762_100000757381 [0,2,0,0,0,0|2,0,0]=4 22973 B13R1.555 CCSCCSc1ncncc1F 62a_100000757381_100000069762 [0,2,0,0,0,0|2,0,0]=4 22974 B13R1.555 CCSCCSc1ncncc1N 62a_100000709731_100000757381 [0,2,0,0,0,0|2,0,0]=4 22975 B13R1.555 CCSCCSc1ncncc1N 62a_100000757381_100000709731 [0,2,0,0,0,0|2,0,0]=4 22976 B13R1.555 CCSCCSc1nnccc1C 62a_100000757381_100000089043 [0,2,0,0,0,0|2,0,0]=4 22977 B13R1.555 CNCCCOc1ccccc1Br 2230a_106832991635_200011259276 [0,2,0,0,0,0|2,0,0]=4 22978 B13R1.555 CNCCCOc1ccccc1Br 34a_100102657272_200011259276 [0,2,0,0,0,0|2,0,0]=4 22979 B13R1.555 CNCCCOc1ccccc1Br 7a_106832991635_200011259276 [0,2,0,0,0,0|2,0,0]=4 22980 B13R1.555 CNCCCOc1ccccc1C 2230a_106633784460_200000210301 [0,2,0,0,0,0|2,0,0]=4 22981 B13R1.555 CNCCCOc1ccccc1C 2230a_106832991635_100000742659 [0,2,0,0,0,0|2,0,0]=4 22982 B13R1.555 CNCCCOc1ccccc1C 34a_100102657272_100000742659 [0,2,0,0,0,0|2,0,0]=4 22983 B13R1.555 CNCCCOc1ccccc1C 34a_106633784460_200000210301 [0,2,0,0,0,0|2,0,0]=4 22984 B13R1.555 CNCCCOc1ccccc1C 7a_106832991635_100000742659 [0,2,0,0,0,0|2,0,0]=4 22985 B13R1.555 CNCCCOc1ccccc1F 2230a_100000707858_200000210301 [0,2,0,0,0,0|2,0,0]=4 22986 B13R1.555 CNCCCOc1ccccc1F 2230a_106832991635_100011203253 [0,2,0,0,0,0|2,0,0]=4 22987 B13R1.555 CNCCCOc1ccccc1F 34a_100000707858_200000210301 [0,2,0,0,0,0|2,0,0]=4 22988 B13R1.555 CNCCCOc1ccccc1F 34a_100102657272_100011203253 [0,2,0,0,0,0|2,0,0]=4 22989 B13R1.555 CNCCCOc1ccccc1F 7a_106832991635_100011203253 [0,2,0,0,0,0|2,0,0]=4 22990 B13R1.555 CNCCCOc1ccccc1O 271570a_203496583355_100015186278 [0,2,0,0,0,0|2,0,0]=4 22991 B13R1.555 CNCCCSc1ccccc1Cl 2230a_106832991635_100000750589 [0,2,0,0,0,0|2,0,0]=4 22992 B13R1.555 CNCCCSc1ccccc1Cl 34a_100102657272_100000750589 [0,2,0,0,0,0|2,0,0]=4 22993 B13R1.555 CNCCCSc1ccccc1Cl 7a_106832991635_100000750589 [0,2,0,0,0,0|2,0,0]=4 22994 B13R1.555 CNCCOCc1ccccc1Cl 2230a_100000745786_200000210301 [0,2,0,0,0,0|2,0,0]=4 22995 B13R1.555 CNCCOCc1ccccc1Cl 34a_100000745786_200000210301 [0,2,0,0,0,0|2,0,0]=4 22996 B13R1.555 CNCCSCc1ccccc1C 2230a_200000189569_200000210301 [0,2,0,0,0,0|2,0,0]=4 22997 B13R1.555 CNCCSCc1ccccc1C 34a_200000189569_200000210301 [0,2,0,0,0,0|2,0,0]=4 22998 B13R1.555 CNCCSCc1ccccc1C 7a_200000189569_200000210301 [0,2,0,0,0,0|2,0,0]=4 22999 B13R1.555 CNCCSCc1ccccc1Cl 2230a_100011219180_200000210301 [0,2,0,0,0,0|2,0,0]=4 23000 B13R1.555 CNCCSCc1ccccc1Cl 34a_100011219180_200000210301 [0,2,0,0,0,0|2,0,0]=4 23001 B13R1.555 CNCCSCc1ccccc1Cl 7a_100011219180_200000210301 [0,2,0,0,0,0|2,0,0]=4 23002 B13R1.555 COCCCCc1ccccc1Br 34a_100012092669_200000210301 [0,2,0,0,0,0|1,0,0]=3 23003 B13R1.555 COCCCCc1ccccc1Br 7a_100012092669_200000210301 [0,2,0,0,0,0|1,0,0]=3 23004 B13R1.555 COCCCNc1ccccc1Br 34a_100000210017_100000740836 [0,2,0,0,0,0|2,0,0]=4 23005 B13R1.555 COCCCNc1ccccc1C 34a_100015192222_100000740836 [0,2,0,0,0,0|2,0,0]=4 23006 B13R1.555 COCCCNc1ccccc1Cl 34a_100000185783_100000740836 [0,2,0,0,0,0|2,0,0]=4 23007 B13R1.555 COCCCNc1ccccc1F 34a_100000210422_100000740836 [0,2,0,0,0,0|2,0,0]=4 23008 B13R1.555 COCCCNc1ccccc1I 34a_100000210053_100000740836 [0,2,0,0,0,0|2,0,0]=4 23009 B13R1.555 COCCCNc1ccccc1O 34a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 23010 B13R1.555 COCCCNc1ncccc1Br 27a_100150723488_100000696092 [0,2,0,0,0,0|1,0,0]=3 23011 B13R1.555 COCCCNc1nccnc1C 27a_100150723488_100011999405 [0,2,0,0,0,0|2,0,0]=4 23012 B13R1.555 COCCCNc1nccnc1F 27a_100150723488_200010125657 [0,2,0,0,0,0|2,0,0]=4 23013 B13R1.555 COCCCNc1ncncc1C 27a_100150723488_100011998708 [0,2,0,0,0,0|2,0,0]=4 23014 B13R1.555 COCCCNc1ncncc1F 27a_100150723488_100000069762 [0,2,0,0,0,0|2,0,0]=4 23015 B13R1.555 COCCCNc1ncncc1N 27a_100150723488_100000709731 [0,2,0,0,0,0|2,0,0]=4 23016 B13R1.555 COCCCNc1nnccc1C 27a_100150723488_100000089043 [0,2,0,0,0,0|2,0,0]=4 23017 B13R1.555 COCCCOc1cccc[n+]1[O-] 7a_100000211761_100000740836 [0,2,0,0,0,0|1,0,1]=4 23018 B13R1.555 COCCCOc1ccccc1Br 34a_100000181306_100000740836 [0,2,0,0,0,0|2,0,0]=4 23019 B13R1.555 COCCCOc1ccccc1Br 34a_100138415774_200011259276 [0,2,0,0,0,0|2,0,0]=4 23020 B13R1.555 COCCCOc1ccccc1Br 7a_100000181306_100000740836 [0,2,0,0,0,0|2,0,0]=4 23021 B13R1.555 COCCCOc1ccccc1C 34a_100000210338_100000740836 [0,2,0,0,0,0|2,0,0]=4 23022 B13R1.555 COCCCOc1ccccc1C 34a_100138415774_100000742659 [0,2,0,0,0,0|2,0,0]=4 23023 B13R1.555 COCCCOc1ccccc1C 7a_100000210338_100000740836 [0,2,0,0,0,0|2,0,0]=4 23024 B13R1.555 COCCCOc1ccccc1Cl 34a_100000210172_100000740836 [0,2,0,0,0,0|2,0,0]=4 23025 B13R1.555 COCCCOc1ccccc1Cl 34a_100000230521_200000210301 [0,2,0,0,0,0|2,0,0]=4 23026 B13R1.555 COCCCOc1ccccc1Cl 7a_100000210172_100000740836 [0,2,0,0,0,0|2,0,0]=4 23027 B13R1.555 COCCCOc1ccccc1Cl 7a_100000230521_200000210301 [0,2,0,0,0,0|2,0,0]=4 23028 B13R1.555 COCCCOc1ccccc1F 34a_100000210171_100000740836 [0,2,0,0,0,0|2,0,0]=4 23029 B13R1.555 COCCCOc1ccccc1F 34a_100138415774_100011203253 [0,2,0,0,0,0|2,0,0]=4 23030 B13R1.555 COCCCOc1ccccc1F 7a_100000210171_100000740836 [0,2,0,0,0,0|2,0,0]=4 23031 B13R1.555 COCCCOc1ccccc1I 34a_100000739446_100000740836 [0,2,0,0,0,0|2,0,0]=4 23032 B13R1.555 COCCCOc1ccccc1I 7a_100000739446_100000740836 [0,2,0,0,0,0|2,0,0]=4 23033 B13R1.555 COCCCOc1ccccc1N 34a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 23034 B13R1.555 COCCCOc1ccccc1N 7a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 23035 B13R1.555 COCCCOc1ncccc1Cl 34a_100011290957_100000740836 [0,2,0,0,0,0|1,0,0]=3 23036 B13R1.555 COCCCOc1ncccc1F 34a_100011219419_100000740836 [0,2,0,0,0,0|1,0,0]=3 23037 B13R1.555 COCCCOc1ncccc1N 34a_100000746358_100000740836 [0,2,0,0,0,0|1,0,0]=3 23038 B13R1.555 COCCCOc1nccnc1C 34a_100000766352_100000740836 [0,2,0,0,0,0|2,0,0]=4 23039 B13R1.555 COCCCSc1cccc[n+]1C 62a_100000709357_100000212160 [0,2,0,0,0,0|1,0,1]=4 23040 B13R1.555 COCCCSc1cccc[n+]1[O-] 62a_100000709357_200000042595 [0,2,0,0,0,0|1,0,1]=4 23041 B13R1.555 COCCCSc1ccccc1Br 62a_100000695589_100000709357 [0,2,0,0,0,0|2,0,0]=4 23042 B13R1.555 COCCCSc1ccccc1Br 62a_100000709357_100000695589 [0,2,0,0,0,0|2,0,0]=4 23043 B13R1.555 COCCCSc1ccccc1C 62a_100000210755_100000709357 [0,2,0,0,0,0|2,0,0]=4 23044 B13R1.555 COCCCSc1ccccc1C 62a_100000709357_100000210755 [0,2,0,0,0,0|2,0,0]=4 23045 B13R1.555 COCCCSc1ccccc1Cl 34a_100138415774_100000750589 [0,2,0,0,0,0|2,0,0]=4 23046 B13R1.555 COCCCSc1ccccc1Cl 62a_100000709357_100000764095 [0,2,0,0,0,0|2,0,0]=4 23047 B13R1.555 COCCCSc1ccccc1Cl 62a_100000764095_100000709357 [0,2,0,0,0,0|2,0,0]=4 23048 B13R1.555 COCCCSc1ccccc1F 62a_100000709357_100011215700 [0,2,0,0,0,0|2,0,0]=4 23049 B13R1.555 COCCCSc1ccccc1F 62a_100011215700_100000709357 [0,2,0,0,0,0|2,0,0]=4 23050 B13R1.555 COCCCSc1ccccc1N 62a_100000210017_100000709357 [0,2,0,0,0,0|2,0,0]=4 23051 B13R1.555 COCCCSc1ccccc1N 62a_100000709357_100000210017 [0,2,0,0,0,0|2,0,0]=4 23052 B13R1.555 COCCCSc1ccccc1O 62a_100000709357_100000739446 [0,2,0,0,0,0|2,0,0]=4 23053 B13R1.555 COCCCSc1ccccc1O 62a_100000739446_100000709357 [0,2,0,0,0,0|2,0,0]=4 23054 B13R1.555 COCCCSc1ncc[nH]c1=O 62a_100000709357_100000763361 [0,2,0,0,0,0|2,0,0]=4 23055 B13R1.555 COCCCSc1ncccc1Br 62a_100000696092_100000709357 [0,2,0,0,0,0|1,0,0]=3 23056 B13R1.555 COCCCSc1ncccc1Br 62a_100000709357_100000696092 [0,2,0,0,0,0|1,0,0]=3 23057 B13R1.555 COCCCSc1ncccc1C 62a_100000709357_100000751373 [0,2,0,0,0,0|1,0,0]=3 23058 B13R1.555 COCCCSc1ncccc1C 62a_100000751373_100000709357 [0,2,0,0,0,0|1,0,0]=3 23059 B13R1.555 COCCCSc1ncccc1Cl 62a_100000709357_100011356963 [0,2,0,0,0,0|1,0,0]=3 23060 B13R1.555 COCCCSc1ncccc1Cl 62a_100011356963_100000709357 [0,2,0,0,0,0|1,0,0]=3 23061 B13R1.555 COCCCSc1ncccc1F 62a_100000685392_100000709357 [0,2,0,0,0,0|1,0,0]=3 23062 B13R1.555 COCCCSc1ncccc1F 62a_100000709357_100000685392 [0,2,0,0,0,0|1,0,0]=3 23063 B13R1.555 COCCCSc1ncccc1N 62a_100000688686_100000709357 [0,2,0,0,0,0|1,0,0]=3 23064 B13R1.555 COCCCSc1ncccc1N 62a_100000709357_100000688686 [0,2,0,0,0,0|1,0,0]=3 23065 B13R1.555 COCCCSc1ncccc1O 62a_100000034122_100000709357 [0,2,0,0,0,0|1,0,0]=3 23066 B13R1.555 COCCCSc1ncccc1O 62a_100000709357_100000034122 [0,2,0,0,0,0|1,0,0]=3 23067 B13R1.555 COCCCSc1nccnc1C 62a_100000709357_100011999405 [0,2,0,0,0,0|2,0,0]=4 23068 B13R1.555 COCCCSc1nccnc1C 62a_100011999405_100000709357 [0,2,0,0,0,0|2,0,0]=4 23069 B13R1.555 COCCCSc1nccnc1Cl 62a_100000709357_100010886584 [0,2,0,0,0,0|2,0,0]=4 23070 B13R1.555 COCCCSc1nccnc1Cl 62a_100010886584_100000709357 [0,2,0,0,0,0|2,0,0]=4 23071 B13R1.555 COCCCSc1nccnc1F 62a_100000709357_200010125657 [0,2,0,0,0,0|2,0,0]=4 23072 B13R1.555 COCCCSc1nccnc1F 62a_200010125657_100000709357 [0,2,0,0,0,0|2,0,0]=4 23073 B13R1.555 COCCCSc1nccnc1N 62a_100000709357_100000747729 [0,2,0,0,0,0|2,0,0]=4 23074 B13R1.555 COCCCSc1nccnc1N 62a_100000747729_100000709357 [0,2,0,0,0,0|2,0,0]=4 23075 B13R1.555 COCCCSc1ncncc1C 62a_100000709357_100011998708 [0,2,0,0,0,0|2,0,0]=4 23076 B13R1.555 COCCCSc1ncncc1C 62a_100011998708_100000709357 [0,2,0,0,0,0|2,0,0]=4 23077 B13R1.555 COCCCSc1ncncc1F 62a_100000069762_100000709357 [0,2,0,0,0,0|2,0,0]=4 23078 B13R1.555 COCCCSc1ncncc1F 62a_100000709357_100000069762 [0,2,0,0,0,0|2,0,0]=4 23079 B13R1.555 COCCCSc1ncncc1N 62a_100000709357_100000709731 [0,2,0,0,0,0|2,0,0]=4 23080 B13R1.555 COCCCSc1ncncc1N 62a_100000709731_100000709357 [0,2,0,0,0,0|2,0,0]=4 23081 B13R1.555 COCCCSc1nnccc1C 62a_100000709357_100000089043 [0,2,0,0,0,0|2,0,0]=4 23082 B13R1.555 COCCNCc1ccccc1Br 207a_100000209980_100000211189 [0,2,0,0,0,0|2,0,0]=4 23083 B13R1.555 COCCNCc1ccccc1Br 2230a_100000209980_100000184730 [0,2,0,0,0,0|2,0,0]=4 23084 B13R1.555 COCCNCc1ccccc1Br 2230a_100000689332_100011201679 [0,2,0,0,0,0|2,0,0]=4 23085 B13R1.555 COCCNCc1ccccc1Br 270004a_100000209980_100000211189 [0,2,0,0,0,0|2,0,0]=4 23086 B13R1.555 COCCNCc1ccccc1Br 34a_100000689332_100011201679 [0,2,0,0,0,0|2,0,0]=4 23087 B13R1.555 COCCNCc1ccccc1Br 34a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 23088 B13R1.555 COCCNCc1ccccc1C 207a_100000209980_100000211143 [0,2,0,0,0,0|2,0,0]=4 23089 B13R1.555 COCCNCc1ccccc1C 2230a_100000209980_100000211839 [0,2,0,0,0,0|2,0,0]=4 23090 B13R1.555 COCCNCc1ccccc1C 270004a_100000209980_100000211143 [0,2,0,0,0,0|2,0,0]=4 23091 B13R1.555 COCCNCc1ccccc1C 34a_100000174972_100011201679 [0,2,0,0,0,0|2,0,0]=4 23092 B13R1.555 COCCNCc1ccccc1Cl 207a_100000209980_100000210073 [0,2,0,0,0,0|2,0,0]=4 23093 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000174879_100011201679 [0,2,0,0,0,0|2,0,0]=4 23094 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000209980_100000187162 [0,2,0,0,0,0|2,0,0]=4 23095 B13R1.555 COCCNCc1ccccc1Cl 270004a_100000209980_100000210073 [0,2,0,0,0,0|2,0,0]=4 23096 B13R1.555 COCCNCc1ccccc1Cl 34a_100000174879_100011201679 [0,2,0,0,0,0|2,0,0]=4 23097 B13R1.555 COCCNCc1ccccc1Cl 34a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 23098 B13R1.555 COCCNCc1ccccc1F 207a_100000209980_100000210811 [0,2,0,0,0,0|2,0,0]=4 23099 B13R1.555 COCCNCc1ccccc1F 2230a_100000209980_100000211605 [0,2,0,0,0,0|2,0,0]=4 23100 B13R1.555 COCCNCc1ccccc1F 270004a_100000209980_100000210811 [0,2,0,0,0,0|2,0,0]=4 23101 B13R1.555 COCCNCc1ccccc1F 34a_100000174869_100011201679 [0,2,0,0,0,0|2,0,0]=4 23102 B13R1.555 COCCNCc1ccccc1I 207a_100000209980_100000010305 [0,2,0,0,0,0|2,0,0]=4 23103 B13R1.555 COCCNCc1ccccc1I 2230a_100000209980_100011215278 [0,2,0,0,0,0|2,0,0]=4 23104 B13R1.555 COCCNCc1ccccc1I 270004a_100000209980_100000010305 [0,2,0,0,0,0|2,0,0]=4 23105 B13R1.555 COCCNCc1ccccc1O 34a_100000185550_100011201679 [0,2,0,0,0,0|2,0,0]=4 23106 B13R1.555 COCCNCc1ncccc1Br 207a_100000209980_100011934733 [0,2,0,0,0,0|1,0,0]=3 23107 B13R1.555 COCCNCc1ncccc1Br 2230a_100000209980_100025702911 [0,2,0,0,0,0|1,0,0]=3 23108 B13R1.555 COCCNCc1ncccc1Br 270004a_100000209980_100011934733 [0,2,0,0,0,0|1,0,0]=3 23109 B13R1.555 COCCNCc1ncccc1C 207a_100000209980_100000698913 [0,2,0,0,0,0|1,0,0]=3 23110 B13R1.555 COCCNCc1ncccc1C 2230a_100000209980_100000696600 [0,2,0,0,0,0|1,0,0]=3 23111 B13R1.555 COCCNCc1ncccc1C 270004a_100000209980_100000698913 [0,2,0,0,0,0|1,0,0]=3 23112 B13R1.555 COCCNCc1ncccc1C 34a_100011223789_100011201679 [0,2,0,0,0,0|1,0,0]=3 23113 B13R1.555 COCCNCc1ncccc1Cl 207a_100000209980_100012001307 [0,2,0,0,0,0|1,0,0]=3 23114 B13R1.555 COCCNCc1ncccc1Cl 2230a_100000209980_100000099807 [0,2,0,0,0,0|1,0,0]=3 23115 B13R1.555 COCCNCc1ncccc1Cl 2230a_100015189233_100011201679 [0,2,0,0,0,0|1,0,0]=3 23116 B13R1.555 COCCNCc1ncccc1Cl 270004a_100000209980_100012001307 [0,2,0,0,0,0|1,0,0]=3 23117 B13R1.555 COCCNCc1ncccc1F 207a_100000209980_100011934734 [0,2,0,0,0,0|1,0,0]=3 23118 B13R1.555 COCCNCc1ncccc1F 2230a_100000209980_100000104219 [0,2,0,0,0,0|1,0,0]=3 23119 B13R1.555 COCCNCc1ncccc1F 270004a_100000209980_100011934734 [0,2,0,0,0,0|1,0,0]=3 23120 B13R1.555 COCCNCc1ncccc1F 34a_100000690088_100011201679 [0,2,0,0,0,0|1,0,0]=3 23121 B13R1.555 COCCNCc1nccnc1C 2230a_100020641712_100011201679 [0,2,0,0,0,0|2,0,0]=4 23122 B13R1.555 COCCNCc1nccnc1C 270004a_100000209980_100000050726 [0,2,0,0,0,0|2,0,0]=4 23123 B13R1.555 COCCNCc1nccnc1C 34a_100020641712_100011201679 [0,2,0,0,0,0|2,0,0]=4 23124 B13R1.555 COCCNCc1nccnc1Cl 2230a_100000729963_100011201679 [0,2,0,0,0,0|2,0,0]=4 23125 B13R1.555 COCCOCc1ccccc1Br 34a_100000210237_100000184730 [0,2,0,0,0,0|2,0,0]=4 23126 B13R1.555 COCCOCc1ccccc1Br 34a_100000756307_100011201679 [0,2,0,0,0,0|2,0,0]=4 23127 B13R1.555 COCCOCc1ccccc1Br 7a_100000756307_100000233755 [0,2,0,0,0,0|2,0,0]=4 23128 B13R1.555 COCCOCc1ccccc1C 34a_100000210237_100000211839 [0,2,0,0,0,0|2,0,0]=4 23129 B13R1.555 COCCOCc1ccccc1C 34a_100000698903_100011201679 [0,2,0,0,0,0|2,0,0]=4 23130 B13R1.555 COCCOCc1ccccc1C 7a_100000698903_100000233755 [0,2,0,0,0,0|2,0,0]=4 23131 B13R1.555 COCCOCc1ccccc1Cl 34a_100000210237_100000187162 [0,2,0,0,0,0|2,0,0]=4 23132 B13R1.555 COCCOCc1ccccc1Cl 34a_100000210847_100011201679 [0,2,0,0,0,0|2,0,0]=4 23133 B13R1.555 COCCOCc1ccccc1Cl 7a_100000210847_100000233755 [0,2,0,0,0,0|2,0,0]=4 23134 B13R1.555 COCCOCc1ccccc1F 34a_100000210237_100000211605 [0,2,0,0,0,0|2,0,0]=4 23135 B13R1.555 COCCOCc1ccccc1F 34a_100000211962_100011201679 [0,2,0,0,0,0|2,0,0]=4 23136 B13R1.555 COCCOCc1ccccc1F 7a_100000211962_100000233755 [0,2,0,0,0,0|2,0,0]=4 23137 B13R1.555 COCCOCc1ccccc1I 34a_100000187465_100011201679 [0,2,0,0,0,0|2,0,0]=4 23138 B13R1.555 COCCOCc1ccccc1I 34a_100000210237_100011215278 [0,2,0,0,0,0|2,0,0]=4 23139 B13R1.555 COCCOCc1ccccc1I 7a_100000187465_100000233755 [0,2,0,0,0,0|2,0,0]=4 23140 B13R1.555 COCCOCc1ccccc1N 34a_100000212039_100011201679 [0,2,0,0,0,0|2,0,0]=4 23141 B13R1.555 COCCOCc1ncccc1Br 34a_100000210237_100025702911 [0,2,0,0,0,0|1,0,0]=3 23142 B13R1.555 COCCOCc1ncccc1Br 34a_100011996772_100011201679 [0,2,0,0,0,0|1,0,0]=3 23143 B13R1.555 COCCOCc1ncccc1C 34a_100000210237_100000696600 [0,2,0,0,0,0|1,0,0]=3 23144 B13R1.555 COCCOCc1ncccc1C 34a_100000698912_100011201679 [0,2,0,0,0,0|1,0,0]=3 23145 B13R1.555 COCCOCc1ncccc1Cl 34a_100012002383_100011201679 [0,2,0,0,0,0|1,0,0]=3 23146 B13R1.555 COCCOCc1ncccc1F 34a_100000210237_100000104219 [0,2,0,0,0,0|1,0,0]=3 23147 B13R1.555 COCCOCc1ncccc1F 34a_100011934865_100011201679 [0,2,0,0,0,0|1,0,0]=3 23148 B13R1.555 COCCOCc1ncccc1N 34a_114873767017_100011201679 [0,2,0,0,0,0|1,0,0]=3 23149 B13R1.555 COCCOCc1ncccc1O 34a_100000210237_200020655725 [0,2,0,0,0,0|1,0,0]=3 23150 B13R1.555 COCCOCc1nccnc1Cl 34a_100000057004_100011201679 [0,2,0,0,0,0|2,0,0]=4 23151 B13R1.555 COCCSCc1ccccc1Br 62a_100000184730_100000233755 [0,2,0,0,0,0|2,0,0]=4 23152 B13R1.555 COCCSCc1ccccc1Br 62a_100000233755_100000184730 [0,2,0,0,0,0|2,0,0]=4 23153 B13R1.555 COCCSCc1ccccc1C 62a_100000211839_100000233755 [0,2,0,0,0,0|2,0,0]=4 23154 B13R1.555 COCCSCc1ccccc1C 62a_100000233755_100000211839 [0,2,0,0,0,0|2,0,0]=4 23155 B13R1.555 COCCSCc1ccccc1Cl 62a_100000187162_100000233755 [0,2,0,0,0,0|2,0,0]=4 23156 B13R1.555 COCCSCc1ccccc1Cl 62a_100000233755_100000187162 [0,2,0,0,0,0|2,0,0]=4 23157 B13R1.555 COCCSCc1ccccc1F 62a_100000211605_100000233755 [0,2,0,0,0,0|2,0,0]=4 23158 B13R1.555 COCCSCc1ccccc1F 62a_100000233755_100000211605 [0,2,0,0,0,0|2,0,0]=4 23159 B13R1.555 COCCSCc1ccccc1I 62a_100000233755_100011216222 [0,2,0,0,0,0|2,0,0]=4 23160 B13R1.555 COCCSCc1ccccc1I 62a_100011216222_100000233755 [0,2,0,0,0,0|2,0,0]=4 23161 B13R1.555 COCCSCc1ncccc1Br 62a_100000233755_100025702911 [0,2,0,0,0,0|1,0,0]=3 23162 B13R1.555 COCCSCc1ncccc1Br 62a_100025702911_100000233755 [0,2,0,0,0,0|1,0,0]=3 23163 B13R1.555 COCCSCc1ncccc1C 62a_100000233755_100000696600 [0,2,0,0,0,0|1,0,0]=3 23164 B13R1.555 COCCSCc1ncccc1C 62a_100000696600_100000233755 [0,2,0,0,0,0|1,0,0]=3 23165 B13R1.555 COCCSCc1ncccc1Cl 62a_100000099807_100000233755 [0,2,0,0,0,0|1,0,0]=3 23166 B13R1.555 COCCSCc1ncccc1Cl 62a_100000233755_100000099807 [0,2,0,0,0,0|1,0,0]=3 23167 B13R1.555 COCCSCc1ncccc1F 62a_100000104219_100000233755 [0,2,0,0,0,0|1,0,0]=3 23168 B13R1.555 COCCSCc1ncccc1F 62a_100000233755_100000104219 [0,2,0,0,0,0|1,0,0]=3 23169 B13R1.555 COCCSCc1ncccc1O 62a_100000233755_200020655725 [0,2,0,0,0,0|1,0,0]=3 23170 B13R1.555 COCCSCc1ncccc1O 62a_200020655725_100000233755 [0,2,0,0,0,0|1,0,0]=3 23171 B13R1.555 COCNCCc1ccccc1Br 2230a_100000747383_100000766300 [0,2,0,0,0,0|2,0,0]=4 23172 B13R1.555 COCNCCc1ccccc1C 2230a_100000685071_100000766300 [0,2,0,0,0,0|2,0,0]=4 23173 B13R1.555 COCNCCc1ccccc1Cl 2230a_100011207228_100000766300 [0,2,0,0,0,0|2,0,0]=4 23174 B13R1.555 COCNCCc1ccccc1F 2230a_100000185272_100000766300 [0,2,0,0,0,0|2,0,0]=4 23175 B13R1.555 COCSCCc1ccccc1Br 62a_100000766300_100012161201 [0,2,0,0,0,0|2,0,0]=4 23176 B13R1.555 COCSCCc1ccccc1Br 62a_100012161201_100000766300 [0,2,0,0,0,0|2,0,0]=4 23177 B13R1.555 COCSCCc1ccccc1C 62a_100000766300_100011713688 [0,2,0,0,0,0|2,0,0]=4 23178 B13R1.555 COCSCCc1ccccc1C 62a_100011713688_100000766300 [0,2,0,0,0,0|2,0,0]=4 23179 B13R1.555 COCSCCc1ccccc1Cl 62a_100000766300_100011713703 [0,2,0,0,0,0|2,0,0]=4 23180 B13R1.555 COCSCCc1ccccc1Cl 62a_100011713703_100000766300 [0,2,0,0,0,0|2,0,0]=4 23181 B13R1.555 COCSCCc1ccccc1F 62a_100000766300_100011713696 [0,2,0,0,0,0|2,0,0]=4 23182 B13R1.555 COCSCCc1ccccc1F 62a_100011713696_100000766300 [0,2,0,0,0,0|2,0,0]=4 23183 B13R1.555 COCSCCc1ccccc1O 62a_100000722297_100000766300 [0,2,0,0,0,0|2,0,0]=4 23184 B13R1.555 COCSCCc1ccccc1O 62a_100000766300_100000722297 [0,2,0,0,0,0|2,0,0]=4 23185 B13R1.555 CSCCCNc1ncccc1Br 27a_100000749238_100000696092 [0,2,0,0,0,0|1,0,0]=3 23186 B13R1.555 CSCCCNc1nccnc1C 27a_100000749238_100011999405 [0,2,0,0,0,0|2,0,0]=4 23187 B13R1.555 CSCCCNc1nccnc1F 27a_100000749238_200010125657 [0,2,0,0,0,0|2,0,0]=4 23188 B13R1.555 CSCCCNc1ncncc1C 27a_100000749238_100011998708 [0,2,0,0,0,0|2,0,0]=4 23189 B13R1.555 CSCCCNc1ncncc1F 27a_100000749238_100000069762 [0,2,0,0,0,0|2,0,0]=4 23190 B13R1.555 CSCCCNc1ncncc1N 27a_100000749238_100000709731 [0,2,0,0,0,0|2,0,0]=4 23191 B13R1.555 CSCCCNc1nnccc1C 27a_100000749238_100000089043 [0,2,0,0,0,0|2,0,0]=4 23192 B13R1.555 CSCCCOc1ccccc1Br 62a_200000210301_200011259276 [0,2,0,0,0,0|2,0,0]=4 23193 B13R1.555 CSCCCOc1ccccc1Br 62a_200011259276_200000210301 [0,2,0,0,0,0|2,0,0]=4 23194 B13R1.555 CSCCCOc1ccccc1C 62a_100000742659_200000210301 [0,2,0,0,0,0|2,0,0]=4 23195 B13R1.555 CSCCCOc1ccccc1C 62a_200000210301_100000742659 [0,2,0,0,0,0|2,0,0]=4 23196 B13R1.555 CSCCCOc1ccccc1F 62a_100011203253_200000210301 [0,2,0,0,0,0|2,0,0]=4 23197 B13R1.555 CSCCCOc1ccccc1F 62a_200000210301_100011203253 [0,2,0,0,0,0|2,0,0]=4 23198 B13R1.555 CSCCCSc1ccccc1Cl 62a_100000750589_200000210301 [0,2,0,0,0,0|2,0,0]=4 23199 B13R1.555 CSCCCSc1ccccc1Cl 62a_200000210301_100000750589 [0,2,0,0,0,0|2,0,0]=4 23200 B13R1.555 CSCCNCc1ccccc1Br 207a_100020590264_100000211189 [0,2,0,0,0,0|2,0,0]=4 23201 B13R1.555 CSCCNCc1ccccc1Br 2230a_100000689332_100000751147 [0,2,0,0,0,0|2,0,0]=4 23202 B13R1.555 CSCCNCc1ccccc1Br 2230a_100020590264_100000184730 [0,2,0,0,0,0|2,0,0]=4 23203 B13R1.555 CSCCNCc1ccccc1Br 270004a_100020590264_100000211189 [0,2,0,0,0,0|2,0,0]=4 23204 B13R1.555 CSCCNCc1ccccc1Br 34a_100000689332_100000212216 [0,2,0,0,0,0|2,0,0]=4 23205 B13R1.555 CSCCNCc1ccccc1C 207a_100020590264_100000211143 [0,2,0,0,0,0|2,0,0]=4 23206 B13R1.555 CSCCNCc1ccccc1C 2230a_100020590264_100000211839 [0,2,0,0,0,0|2,0,0]=4 23207 B13R1.555 CSCCNCc1ccccc1C 270004a_100020590264_100000211143 [0,2,0,0,0,0|2,0,0]=4 23208 B13R1.555 CSCCNCc1ccccc1C 34a_100000174972_100000212216 [0,2,0,0,0,0|2,0,0]=4 23209 B13R1.555 CSCCNCc1ccccc1Cl 207a_100020590264_100000210073 [0,2,0,0,0,0|2,0,0]=4 23210 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100000174879_100000751147 [0,2,0,0,0,0|2,0,0]=4 23211 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100020590264_100000187162 [0,2,0,0,0,0|2,0,0]=4 23212 B13R1.555 CSCCNCc1ccccc1Cl 270004a_100020590264_100000210073 [0,2,0,0,0,0|2,0,0]=4 23213 B13R1.555 CSCCNCc1ccccc1Cl 34a_100000174879_100000212216 [0,2,0,0,0,0|2,0,0]=4 23214 B13R1.555 CSCCNCc1ccccc1F 207a_100020590264_100000210811 [0,2,0,0,0,0|2,0,0]=4 23215 B13R1.555 CSCCNCc1ccccc1F 2230a_100020590264_100000211605 [0,2,0,0,0,0|2,0,0]=4 23216 B13R1.555 CSCCNCc1ccccc1F 270004a_100020590264_100000210811 [0,2,0,0,0,0|2,0,0]=4 23217 B13R1.555 CSCCNCc1ccccc1F 34a_100000174869_100000212216 [0,2,0,0,0,0|2,0,0]=4 23218 B13R1.555 CSCCNCc1ccccc1I 207a_100020590264_100000010305 [0,2,0,0,0,0|2,0,0]=4 23219 B13R1.555 CSCCNCc1ccccc1I 2230a_100020590264_100011215278 [0,2,0,0,0,0|2,0,0]=4 23220 B13R1.555 CSCCNCc1ccccc1I 270004a_100020590264_100000010305 [0,2,0,0,0,0|2,0,0]=4 23221 B13R1.555 CSCCNCc1ccccc1O 34a_100000185550_100000212216 [0,2,0,0,0,0|2,0,0]=4 23222 B13R1.555 CSCCNCc1ncccc1Br 207a_100020590264_100011934733 [0,2,0,0,0,0|1,0,0]=3 23223 B13R1.555 CSCCNCc1ncccc1Br 2230a_100020590264_100025702911 [0,2,0,0,0,0|1,0,0]=3 23224 B13R1.555 CSCCNCc1ncccc1Br 270004a_100020590264_100011934733 [0,2,0,0,0,0|1,0,0]=3 23225 B13R1.555 CSCCNCc1ncccc1C 207a_100020590264_100000698913 [0,2,0,0,0,0|1,0,0]=3 23226 B13R1.555 CSCCNCc1ncccc1C 2230a_100020590264_100000696600 [0,2,0,0,0,0|1,0,0]=3 23227 B13R1.555 CSCCNCc1ncccc1C 270004a_100020590264_100000698913 [0,2,0,0,0,0|1,0,0]=3 23228 B13R1.555 CSCCNCc1ncccc1C 34a_100011223789_100000212216 [0,2,0,0,0,0|1,0,0]=3 23229 B13R1.555 CSCCNCc1ncccc1Cl 207a_100020590264_100012001307 [0,2,0,0,0,0|1,0,0]=3 23230 B13R1.555 CSCCNCc1ncccc1Cl 2230a_100015189233_100000751147 [0,2,0,0,0,0|1,0,0]=3 23231 B13R1.555 CSCCNCc1ncccc1Cl 2230a_100020590264_100000099807 [0,2,0,0,0,0|1,0,0]=3 23232 B13R1.555 CSCCNCc1ncccc1Cl 270004a_100020590264_100012001307 [0,2,0,0,0,0|1,0,0]=3 23233 B13R1.555 CSCCNCc1ncccc1F 207a_100020590264_100011934734 [0,2,0,0,0,0|1,0,0]=3 23234 B13R1.555 CSCCNCc1ncccc1F 2230a_100020590264_100000104219 [0,2,0,0,0,0|1,0,0]=3 23235 B13R1.555 CSCCNCc1ncccc1F 270004a_100020590264_100011934734 [0,2,0,0,0,0|1,0,0]=3 23236 B13R1.555 CSCCNCc1ncccc1F 34a_100000690088_100000212216 [0,2,0,0,0,0|1,0,0]=3 23237 B13R1.555 CSCCNCc1nccnc1C 2230a_100020641712_100000751147 [0,2,0,0,0,0|2,0,0]=4 23238 B13R1.555 CSCCNCc1nccnc1C 270004a_100020590264_100000050726 [0,2,0,0,0,0|2,0,0]=4 23239 B13R1.555 CSCCNCc1nccnc1C 34a_100020641712_100000212216 [0,2,0,0,0,0|2,0,0]=4 23240 B13R1.555 CSCCNCc1nccnc1Cl 2230a_100000729963_100000751147 [0,2,0,0,0,0|2,0,0]=4 23241 B13R1.555 CSCCOCc1ccccc1Br 34a_100000230434_100000184730 [0,2,0,0,0,0|2,0,0]=4 23242 B13R1.555 CSCCOCc1ccccc1Br 34a_100000756307_100000212216 [0,2,0,0,0,0|2,0,0]=4 23243 B13R1.555 CSCCOCc1ccccc1Br 7a_100000230434_100000184730 [0,2,0,0,0,0|2,0,0]=4 23244 B13R1.555 CSCCOCc1ccccc1Br 7a_100000756307_100000212216 [0,2,0,0,0,0|2,0,0]=4 23245 B13R1.555 CSCCOCc1ccccc1C 34a_100000230434_100000211839 [0,2,0,0,0,0|2,0,0]=4 23246 B13R1.555 CSCCOCc1ccccc1C 34a_100000698903_100000212216 [0,2,0,0,0,0|2,0,0]=4 23247 B13R1.555 CSCCOCc1ccccc1C 7a_100000230434_100000211839 [0,2,0,0,0,0|2,0,0]=4 23248 B13R1.555 CSCCOCc1ccccc1C 7a_100000698903_100000212216 [0,2,0,0,0,0|2,0,0]=4 23249 B13R1.555 CSCCOCc1ccccc1Cl 34a_100000210847_100000212216 [0,2,0,0,0,0|2,0,0]=4 23250 B13R1.555 CSCCOCc1ccccc1Cl 34a_100000230434_100000187162 [0,2,0,0,0,0|2,0,0]=4 23251 B13R1.555 CSCCOCc1ccccc1Cl 7a_100000210847_100000212216 [0,2,0,0,0,0|2,0,0]=4 23252 B13R1.555 CSCCOCc1ccccc1Cl 7a_100000230434_100000187162 [0,2,0,0,0,0|2,0,0]=4 23253 B13R1.555 CSCCOCc1ccccc1F 34a_100000211962_100000212216 [0,2,0,0,0,0|2,0,0]=4 23254 B13R1.555 CSCCOCc1ccccc1F 34a_100000230434_100000211605 [0,2,0,0,0,0|2,0,0]=4 23255 B13R1.555 CSCCOCc1ccccc1F 7a_100000211962_100000212216 [0,2,0,0,0,0|2,0,0]=4 23256 B13R1.555 CSCCOCc1ccccc1F 7a_100000230434_100000211605 [0,2,0,0,0,0|2,0,0]=4 23257 B13R1.555 CSCCOCc1ccccc1I 34a_100000187465_100000212216 [0,2,0,0,0,0|2,0,0]=4 23258 B13R1.555 CSCCOCc1ccccc1I 34a_100000230434_100011215278 [0,2,0,0,0,0|2,0,0]=4 23259 B13R1.555 CSCCOCc1ccccc1I 7a_100000187465_100000212216 [0,2,0,0,0,0|2,0,0]=4 23260 B13R1.555 CSCCOCc1ccccc1I 7a_100000230434_100011215278 [0,2,0,0,0,0|2,0,0]=4 23261 B13R1.555 CSCCOCc1ccccc1N 34a_100000212039_100000212216 [0,2,0,0,0,0|2,0,0]=4 23262 B13R1.555 CSCCOCc1ncccc1Br 34a_100000230434_100025702911 [0,2,0,0,0,0|1,0,0]=3 23263 B13R1.555 CSCCOCc1ncccc1Br 34a_100011996772_100000212216 [0,2,0,0,0,0|1,0,0]=3 23264 B13R1.555 CSCCOCc1ncccc1Br 7a_100000230434_100025702911 [0,2,0,0,0,0|1,0,0]=3 23265 B13R1.555 CSCCOCc1ncccc1C 34a_100000230434_100000696600 [0,2,0,0,0,0|1,0,0]=3 23266 B13R1.555 CSCCOCc1ncccc1C 34a_100000698912_100000212216 [0,2,0,0,0,0|1,0,0]=3 23267 B13R1.555 CSCCOCc1ncccc1C 7a_100000230434_100000696600 [0,2,0,0,0,0|1,0,0]=3 23268 B13R1.555 CSCCOCc1ncccc1Cl 34a_100012002383_100000212216 [0,2,0,0,0,0|1,0,0]=3 23269 B13R1.555 CSCCOCc1ncccc1Cl 7a_100000230434_100000099807 [0,2,0,0,0,0|1,0,0]=3 23270 B13R1.555 CSCCOCc1ncccc1F 34a_100000230434_100000104219 [0,2,0,0,0,0|1,0,0]=3 23271 B13R1.555 CSCCOCc1ncccc1F 34a_100011934865_100000212216 [0,2,0,0,0,0|1,0,0]=3 23272 B13R1.555 CSCCOCc1ncccc1F 7a_100000230434_100000104219 [0,2,0,0,0,0|1,0,0]=3 23273 B13R1.555 CSCCOCc1ncccc1N 34a_114873767017_100000212216 [0,2,0,0,0,0|1,0,0]=3 23274 B13R1.555 CSCCOCc1ncccc1O 34a_100000230434_200020655725 [0,2,0,0,0,0|1,0,0]=3 23275 B13R1.555 CSCCOCc1ncccc1O 7a_100000230434_200020655725 [0,2,0,0,0,0|1,0,0]=3 23276 B13R1.555 CSCCOCc1nccnc1Cl 34a_100000057004_100000212216 [0,2,0,0,0,0|2,0,0]=4 23277 B13R1.555 CSCCSCc1ccccc1Br 62a_100000184730_100000751147 [0,2,0,0,0,0|2,0,0]=4 23278 B13R1.555 CSCCSCc1ccccc1Br 62a_100000212216_100000184730 [0,2,0,0,0,0|2,0,0]=4 23279 B13R1.555 CSCCSCc1ccccc1C 62a_100000211839_100000751147 [0,2,0,0,0,0|2,0,0]=4 23280 B13R1.555 CSCCSCc1ccccc1C 62a_100000212216_100000211839 [0,2,0,0,0,0|2,0,0]=4 23281 B13R1.555 CSCCSCc1ccccc1Cl 62a_100000187162_100000751147 [0,2,0,0,0,0|2,0,0]=4 23282 B13R1.555 CSCCSCc1ccccc1Cl 62a_100000212216_100000187162 [0,2,0,0,0,0|2,0,0]=4 23283 B13R1.555 CSCCSCc1ccccc1F 62a_100000211605_100000751147 [0,2,0,0,0,0|2,0,0]=4 23284 B13R1.555 CSCCSCc1ccccc1F 62a_100000212216_100000211605 [0,2,0,0,0,0|2,0,0]=4 23285 B13R1.555 CSCCSCc1ccccc1I 62a_100000212216_100011216222 [0,2,0,0,0,0|2,0,0]=4 23286 B13R1.555 CSCCSCc1ccccc1I 62a_100011216222_100000751147 [0,2,0,0,0,0|2,0,0]=4 23287 B13R1.555 CSCCSCc1ncccc1Br 62a_100000212216_100025702911 [0,2,0,0,0,0|1,0,0]=3 23288 B13R1.555 CSCCSCc1ncccc1Br 62a_100025702911_100000751147 [0,2,0,0,0,0|1,0,0]=3 23289 B13R1.555 CSCCSCc1ncccc1C 62a_100000212216_100000696600 [0,2,0,0,0,0|1,0,0]=3 23290 B13R1.555 CSCCSCc1ncccc1C 62a_100000696600_100000751147 [0,2,0,0,0,0|1,0,0]=3 23291 B13R1.555 CSCCSCc1ncccc1Cl 62a_100000099807_100000751147 [0,2,0,0,0,0|1,0,0]=3 23292 B13R1.555 CSCCSCc1ncccc1Cl 62a_100000212216_100000099807 [0,2,0,0,0,0|1,0,0]=3 23293 B13R1.555 CSCCSCc1ncccc1F 62a_100000104219_100000751147 [0,2,0,0,0,0|1,0,0]=3 23294 B13R1.555 CSCCSCc1ncccc1F 62a_100000212216_100000104219 [0,2,0,0,0,0|1,0,0]=3 23295 B13R1.555 CSCCSCc1ncccc1O 62a_100000212216_200020655725 [0,2,0,0,0,0|1,0,0]=3 23296 B13R1.555 CSCCSCc1ncccc1O 62a_200020655725_100000751147 [0,2,0,0,0,0|1,0,0]=3 23297 B13R1.555 CSCNCCc1ccccc1Br 2230a_100000747383_100011218213 [0,2,0,0,0,0|2,0,0]=4 23298 B13R1.555 CSCNCCc1ccccc1Br 34a_100000747383_100011218213 [0,2,0,0,0,0|2,0,0]=4 23299 B13R1.555 CSCNCCc1ccccc1C 2230a_100000685071_100011218213 [0,2,0,0,0,0|2,0,0]=4 23300 B13R1.555 CSCNCCc1ccccc1C 34a_100000685071_100011218213 [0,2,0,0,0,0|2,0,0]=4 23301 B13R1.555 CSCNCCc1ccccc1Cl 2230a_100011207228_100011218213 [0,2,0,0,0,0|2,0,0]=4 23302 B13R1.555 CSCNCCc1ccccc1Cl 34a_100011207228_100011218213 [0,2,0,0,0,0|2,0,0]=4 23303 B13R1.555 CSCNCCc1ccccc1F 2230a_100000185272_100011218213 [0,2,0,0,0,0|2,0,0]=4 23304 B13R1.555 CSCNCCc1ccccc1F 34a_100000185272_100011218213 [0,2,0,0,0,0|2,0,0]=4 23305 B13R1.555 CSCNCCc1ccccc1O 34a_100011207237_100011218213 [0,2,0,0,0,0|2,0,0]=4 23306 B13R1.555 CSCOCCc1ccccc1Br 34a_100000731337_100011218213 [0,2,0,0,0,0|2,0,0]=4 23307 B13R1.555 CSCOCCc1ccccc1C 34a_100011220023_100011218213 [0,2,0,0,0,0|2,0,0]=4 23308 B13R1.555 CSCOCCc1ccccc1Cl 34a_100011215284_100011218213 [0,2,0,0,0,0|2,0,0]=4 23309 B13R1.555 CSCOCCc1ccccc1F 34a_100000753711_100011218213 [0,2,0,0,0,0|2,0,0]=4 23310 B13R1.555 CSCOCCc1ccccc1I 34a_100010255290_100011218213 [0,2,0,0,0,0|2,0,0]=4 23311 B13R1.555 CSCOCCc1ccccc1N 34a_100011215289_100011218213 [0,2,0,0,0,0|2,0,0]=4 23312 B13R1.555 CSCOCCc1ncccc1C 34a_100011997706_100011218213 [0,2,0,0,0,0|1,0,0]=3 23313 B13R1.555 CSCSCCc1ccccc1Br 62a_100011218213_100012161201 [0,2,0,0,0,0|2,0,0]=4 23314 B13R1.555 CSCSCCc1ccccc1Br 62a_100012161201_100011218213 [0,2,0,0,0,0|2,0,0]=4 23315 B13R1.555 CSCSCCc1ccccc1C 62a_100011218213_100011713688 [0,2,0,0,0,0|2,0,0]=4 23316 B13R1.555 CSCSCCc1ccccc1C 62a_100011713688_100011218213 [0,2,0,0,0,0|2,0,0]=4 23317 B13R1.555 CSCSCCc1ccccc1Cl 62a_100011218213_100011713703 [0,2,0,0,0,0|2,0,0]=4 23318 B13R1.555 CSCSCCc1ccccc1Cl 62a_100011713703_100011218213 [0,2,0,0,0,0|2,0,0]=4 23319 B13R1.555 CSCSCCc1ccccc1F 62a_100011218213_100011713696 [0,2,0,0,0,0|2,0,0]=4 23320 B13R1.555 CSCSCCc1ccccc1F 62a_100011713696_100011218213 [0,2,0,0,0,0|2,0,0]=4 23321 B13R1.555 CSCSCCc1ccccc1O 62a_100000722297_100011218213 [0,2,0,0,0,0|2,0,0]=4 23322 B13R1.555 CSCSCCc1ccccc1O 62a_100011218213_100000722297 [0,2,0,0,0,0|2,0,0]=4 23323 B13R1.555 C[n+]1ccccc1SCCCCF 62a_100000729493_100000212160 [0,2,0,0,0,0|1,0,1]=4 23324 B13R1.555 C[n+]1ccccc1SCCCCO 62a_100000210776_100000212160 [0,2,0,0,0,0|1,0,1]=4 23325 B13R1.555 Cc1ccccc1CCNCCF 2230a_100000685071_100011217306 [0,2,0,0,0,0|2,0,0]=4 23326 B13R1.555 Cc1ccccc1CCNCCF 34a_100000685071_100011217306 [0,2,0,0,0,0|2,0,0]=4 23327 B13R1.555 Cc1ccccc1CCNCCF 34a_100000724931_100011713688 [0,2,0,0,0,0|2,0,0]=4 23328 B13R1.555 Cc1ccccc1CCNCCO 2230a_100000685071_100000211926 [0,2,0,0,0,0|2,0,0]=4 23329 B13R1.555 Cc1ccccc1CCNCCO 2230a_100016997473_100011713688 [0,2,0,0,0,0|2,0,0]=4 23330 B13R1.555 Cc1ccccc1CCNCCO 34a_100000685071_100000211926 [0,2,0,0,0,0|2,0,0]=4 23331 B13R1.555 Cc1ccccc1CCNCCO 34a_100016990907_100011713688 [0,2,0,0,0,0|2,0,0]=4 23332 B13R1.555 Cc1ccccc1CCOCCBr 34a_100000211926_100011713688 [0,2,0,0,0,0|2,0,0]=4 23333 B13R1.555 Cc1ccccc1CCOCCF 34a_100011220023_100011217306 [0,2,0,0,0,0|2,0,0]=4 23334 B13R1.555 Cc1ccccc1CCOCCF 7a_100011220023_100011217306 [0,2,0,0,0,0|2,0,0]=4 23335 B13R1.555 Cc1ccccc1CCOCCN 34a_100000210304_100011713688 [0,2,0,0,0,0|2,0,0]=4 23336 B13R1.555 Cc1ccccc1CCOCCO 34a_100011220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 23337 B13R1.555 Cc1ccccc1CCOCCO 7a_100011220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 23338 B13R1.555 Cc1ccccc1CCSCCF 62a_100011217306_100011713688 [0,2,0,0,0,0|2,0,0]=4 23339 B13R1.555 Cc1ccccc1CCSCCF 62a_100011713688_100011217306 [0,2,0,0,0,0|2,0,0]=4 23340 B13R1.555 Cc1ccccc1CCSCCO 62a_100000211926_100011713688 [0,2,0,0,0,0|2,0,0]=4 23341 B13R1.555 Cc1ccccc1CCSCCO 62a_100011713688_100000211926 [0,2,0,0,0,0|2,0,0]=4 23342 B13R1.555 Cc1ccccc1CNCCCF 207a_100015189416_100000211143 [0,2,0,0,0,0|2,0,0]=4 23343 B13R1.555 Cc1ccccc1CNCCCF 2230a_100015189416_100000211839 [0,2,0,0,0,0|2,0,0]=4 23344 B13R1.555 Cc1ccccc1CNCCCF 270004a_100015189416_100000211143 [0,2,0,0,0,0|2,0,0]=4 23345 B13R1.555 Cc1ccccc1CNCCCF 34a_100000174972_100011934791 [0,2,0,0,0,0|2,0,0]=4 23346 B13R1.555 Cc1ccccc1CNCCCF 34a_100015189416_100000211839 [0,2,0,0,0,0|2,0,0]=4 23347 B13R1.555 Cc1ccccc1CNCCCO 207a_100000182051_100000211143 [0,2,0,0,0,0|2,0,0]=4 23348 B13R1.555 Cc1ccccc1CNCCCO 270004a_100000182051_100000211143 [0,2,0,0,0,0|2,0,0]=4 23349 B13R1.555 Cc1ccccc1CNCCCO 34a_100000174972_100000230001 [0,2,0,0,0,0|2,0,0]=4 23350 B13R1.555 Cc1ccccc1COCCCBr 34a_100011217188_100000211839 [0,2,0,0,0,0|2,0,0]=4 23351 B13R1.555 Cc1ccccc1COCCCCl 34a_100000230001_100000211839 [0,2,0,0,0,0|2,0,0]=4 23352 B13R1.555 Cc1ccccc1COCCCF 34a_100000698903_100011934791 [0,2,0,0,0,0|2,0,0]=4 23353 B13R1.555 Cc1ccccc1COCCCF 34a_100000759539_100000211839 [0,2,0,0,0,0|2,0,0]=4 23354 B13R1.555 Cc1ccccc1COCCCF 7a_100000698903_100011934791 [0,2,0,0,0,0|2,0,0]=4 23355 B13R1.555 Cc1ccccc1COCCCN 34a_100000182051_100000211839 [0,2,0,0,0,0|2,0,0]=4 23356 B13R1.555 Cc1ccccc1COCCCO 34a_100000698903_100000230001 [0,2,0,0,0,0|2,0,0]=4 23357 B13R1.555 Cc1ccccc1COCCCO 7a_100000698903_100011215043 [0,2,0,0,0,0|2,0,0]=4 23358 B13R1.555 Cc1ccccc1CSCCCF 62a_100000211839_100011934791 [0,2,0,0,0,0|2,0,0]=4 23359 B13R1.555 Cc1ccccc1CSCCCF 62a_100011934791_100000211839 [0,2,0,0,0,0|2,0,0]=4 23360 B13R1.555 Cc1ccccc1CSCCCO 62a_100000211839_100011215043 [0,2,0,0,0,0|2,0,0]=4 23361 B13R1.555 Cc1ccccc1CSCCCO 62a_100011215043_100000211839 [0,2,0,0,0,0|2,0,0]=4 23362 B13R1.555 Cc1ccccc1CSCCN[13CH3] 2230a_200000189569_200025704644 [0,2,0,0,0,0|2,0,0]=4 23363 B13R1.555 Cc1ccccc1CSCCN[13CH3] 34a_200000189569_200025704644 [0,2,0,0,0,0|2,0,0]=4 23364 B13R1.555 Cc1ccccc1CSCCN[13CH3] 7a_200000189569_200025704644 [0,2,0,0,0,0|2,0,0]=4 23365 B13R1.555 Cc1ccccc1NCCCCF 34a_100015192222_100000729493 [0,2,0,0,0,0|2,0,0]=4 23366 B13R1.555 Cc1ccccc1NCCCCO 34a_100015192222_100011216708 [0,2,0,0,0,0|2,0,0]=4 23367 B13R1.555 Cc1ccccc1OCCCCF 34a_100000210338_100000729493 [0,2,0,0,0,0|2,0,0]=4 23368 B13R1.555 Cc1ccccc1OCCCCF 7a_100000210338_100000729493 [0,2,0,0,0,0|2,0,0]=4 23369 B13R1.555 Cc1ccccc1OCCCCO 34a_100000210338_100011216708 [0,2,0,0,0,0|2,0,0]=4 23370 B13R1.555 Cc1ccccc1OCCCCO 7a_100000210338_100000210776 [0,2,0,0,0,0|2,0,0]=4 23371 B13R1.555 Cc1ccccc1OCCCN[13CH3] 2230a_106633784460_200025704644 [0,2,0,0,0,0|2,0,0]=4 23372 B13R1.555 Cc1ccccc1OCCCN[13CH3] 34a_106633784460_200025704644 [0,2,0,0,0,0|2,0,0]=4 23373 B13R1.555 Cc1ccccc1OCCCS[13CH3] 62a_100000742659_200025704644 [0,2,0,0,0,0|2,0,0]=4 23374 B13R1.555 Cc1ccccc1OCCCS[13CH3] 62a_200025704644_100000742659 [0,2,0,0,0,0|2,0,0]=4 23375 B13R1.555 Cc1ccccc1SCCCCF 62a_100000210755_100000729493 [0,2,0,0,0,0|2,0,0]=4 23376 B13R1.555 Cc1ccccc1SCCCCF 62a_100000729493_100000210755 [0,2,0,0,0,0|2,0,0]=4 23377 B13R1.555 Cc1ccccc1SCCCCO 62a_100000210755_100000210776 [0,2,0,0,0,0|2,0,0]=4 23378 B13R1.555 Cc1ccccc1SCCCCO 62a_100000210776_100000210755 [0,2,0,0,0,0|2,0,0]=4 23379 B13R1.555 Cc1cccnc1CCOCC#N 7a_100011997706_100011215382 [0,2,0,0,0,0|1,0,1]=4 23380 B13R1.555 Cc1cccnc1CCOCC=O 34a_100011997706_200009817547 [0,2,0,0,0,0|1,0,1]=4 23381 B13R1.555 Cc1cccnc1CCOCC=O 7a_100011997706_200015260668 [0,2,0,0,0,0|1,0,1]=4 23382 B13R1.555 Cc1cccnc1CCOCCF 34a_100011997706_100011217306 [0,2,0,0,0,0|1,0,0]=3 23383 B13R1.555 Cc1cccnc1CCOCCF 7a_100011997706_100011217306 [0,2,0,0,0,0|1,0,0]=3 23384 B13R1.555 Cc1cccnc1CCOCCO 34a_100011997706_100000211926 [0,2,0,0,0,0|1,0,0]=3 23385 B13R1.555 Cc1cccnc1CCOCCO 7a_100011997706_100000211926 [0,2,0,0,0,0|1,0,0]=3 23386 B13R1.555 Cc1cccnc1CNCCC#N 270004a_100000720768_100000698913 [0,2,0,0,0,0|1,0,1]=4 23387 B13R1.555 Cc1cccnc1CNCCCF 207a_100015189416_100000698913 [0,2,0,0,0,0|1,0,0]=3 23388 B13R1.555 Cc1cccnc1CNCCCF 2230a_100015189416_100000696600 [0,2,0,0,0,0|1,0,0]=3 23389 B13R1.555 Cc1cccnc1CNCCCF 270004a_100015189416_100000698913 [0,2,0,0,0,0|1,0,0]=3 23390 B13R1.555 Cc1cccnc1CNCCCF 34a_100011223789_100011934791 [0,2,0,0,0,0|1,0,0]=3 23391 B13R1.555 Cc1cccnc1CNCCCF 34a_100015189416_100000696600 [0,2,0,0,0,0|1,0,0]=3 23392 B13R1.555 Cc1cccnc1CNCCCO 207a_100000182051_100000698913 [0,2,0,0,0,0|1,0,0]=3 23393 B13R1.555 Cc1cccnc1CNCCCO 270004a_100000182051_100000698913 [0,2,0,0,0,0|1,0,0]=3 23394 B13R1.555 Cc1cccnc1CNCCCO 34a_100011223789_100000230001 [0,2,0,0,0,0|1,0,0]=3 23395 B13R1.555 Cc1cccnc1COCCCBr 34a_100011217188_100000696600 [0,2,0,0,0,0|1,0,0]=3 23396 B13R1.555 Cc1cccnc1COCCCCl 34a_100000230001_100000696600 [0,2,0,0,0,0|1,0,0]=3 23397 B13R1.555 Cc1cccnc1COCCCF 34a_100000698912_100011934791 [0,2,0,0,0,0|1,0,0]=3 23398 B13R1.555 Cc1cccnc1COCCCF 34a_100000759539_100000696600 [0,2,0,0,0,0|1,0,0]=3 23399 B13R1.555 Cc1cccnc1COCCCN 34a_100000182051_100000696600 [0,2,0,0,0,0|1,0,0]=3 23400 B13R1.555 Cc1cccnc1COCCCO 34a_100000698912_100000230001 [0,2,0,0,0,0|1,0,0]=3 23401 B13R1.555 Cc1cccnc1COCCON 34a_100000700252_100000696600 [0,2,0,0,0,0|2,0,0]=4 23402 B13R1.555 Cc1cccnc1CSCCC#N 62a_100000696600_100011215226 [0,2,0,0,0,0|1,0,1]=4 23403 B13R1.555 Cc1cccnc1CSCCC#N 62a_100011215226_100000696600 [0,2,0,0,0,0|1,0,1]=4 23404 B13R1.555 Cc1cccnc1CSCCCF 62a_100000696600_100011934791 [0,2,0,0,0,0|1,0,0]=3 23405 B13R1.555 Cc1cccnc1CSCCCF 62a_100011934791_100000696600 [0,2,0,0,0,0|1,0,0]=3 23406 B13R1.555 Cc1cccnc1CSCCCO 62a_100000696600_100011215043 [0,2,0,0,0,0|1,0,0]=3 23407 B13R1.555 Cc1cccnc1CSCCCO 62a_100011215043_100000696600 [0,2,0,0,0,0|1,0,0]=3 23408 B13R1.555 Cc1cccnc1SCCCC#N 62a_100000687738_100000751373 [0,2,0,0,0,0|1,0,1]=4 23409 B13R1.555 Cc1cccnc1SCCCC#N 62a_100000751373_100000687738 [0,2,0,0,0,0|1,0,1]=4 23410 B13R1.555 Cc1cccnc1SCCCC=O 62a_100000751373_200011292268 [0,2,0,0,0,0|1,0,1]=4 23411 B13R1.555 Cc1cccnc1SCCCC=O 62a_200011292268_100000751373 [0,2,0,0,0,0|1,0,1]=4 23412 B13R1.555 Cc1cccnc1SCCCCF 62a_100000729493_100000751373 [0,2,0,0,0,0|1,0,0]=3 23413 B13R1.555 Cc1cccnc1SCCCCF 62a_100000751373_100000729493 [0,2,0,0,0,0|1,0,0]=3 23414 B13R1.555 Cc1cccnc1SCCCCO 62a_100000210776_100000751373 [0,2,0,0,0,0|1,0,0]=3 23415 B13R1.555 Cc1cccnc1SCCCCO 62a_100000751373_100000210776 [0,2,0,0,0,0|1,0,0]=3 23416 B13R1.555 Cc1ccnnc1NCCCCO 27a_100000750430_100000089043 [0,2,0,0,0,0|2,0,0]=4 23417 B13R1.555 Cc1ccnnc1SCCCCF 62a_100000729493_100000089043 [0,2,0,0,0,0|2,0,0]=4 23418 B13R1.555 Cc1ccnnc1SCCCCO 62a_100000210776_100000089043 [0,2,0,0,0,0|2,0,0]=4 23419 B13R1.555 Cc1cncnc1NCCCCO 27a_100000750430_100011998708 [0,2,0,0,0,0|2,0,0]=4 23420 B13R1.555 Cc1cncnc1SCCCCF 62a_100000729493_100011998708 [0,2,0,0,0,0|2,0,0]=4 23421 B13R1.555 Cc1cncnc1SCCCCF 62a_100011998708_100000729493 [0,2,0,0,0,0|2,0,0]=4 23422 B13R1.555 Cc1cncnc1SCCCCO 62a_100000210776_100011998708 [0,2,0,0,0,0|2,0,0]=4 23423 B13R1.555 Cc1cncnc1SCCCCO 62a_100011998708_100000210776 [0,2,0,0,0,0|2,0,0]=4 23424 B13R1.555 Cc1nccnc1CNCCCF 2230a_100020641712_100011934791 [0,2,0,0,0,0|2,0,0]=4 23425 B13R1.555 Cc1nccnc1CNCCCF 270004a_100015189416_100000050726 [0,2,0,0,0,0|2,0,0]=4 23426 B13R1.555 Cc1nccnc1CNCCCF 34a_100020641712_100011934791 [0,2,0,0,0,0|2,0,0]=4 23427 B13R1.555 Cc1nccnc1CNCCCO 2230a_100020641712_100000230001 [0,2,0,0,0,0|2,0,0]=4 23428 B13R1.555 Cc1nccnc1CNCCCO 270004a_100000182051_100000050726 [0,2,0,0,0,0|2,0,0]=4 23429 B13R1.555 Cc1nccnc1CNCCCO 34a_100020641712_100000230001 [0,2,0,0,0,0|2,0,0]=4 23430 B13R1.555 Cc1nccnc1NCCCCO 27a_100000750430_100011999405 [0,2,0,0,0,0|2,0,0]=4 23431 B13R1.555 Cc1nccnc1OCCCCF 34a_100000766352_100000729493 [0,2,0,0,0,0|2,0,0]=4 23432 B13R1.555 Cc1nccnc1OCCCCO 34a_100000766352_100011216708 [0,2,0,0,0,0|2,0,0]=4 23433 B13R1.555 Cc1nccnc1SCCCCF 62a_100000729493_100011999405 [0,2,0,0,0,0|2,0,0]=4 23434 B13R1.555 Cc1nccnc1SCCCCF 62a_100011999405_100000729493 [0,2,0,0,0,0|2,0,0]=4 23435 B13R1.555 Cc1nccnc1SCCCCO 62a_100000210776_100011999405 [0,2,0,0,0,0|2,0,0]=4 23436 B13R1.555 Cc1nccnc1SCCCCO 62a_100011999405_100000210776 [0,2,0,0,0,0|2,0,0]=4 23437 B13R1.555 ClCCCOCc1ccccc1Br 34a_100000230001_100000184730 [0,2,0,0,0,0|2,0,0]=4 23438 B13R1.555 ClCCCOCc1ccccc1Cl 34a_100000230001_100000187162 [0,2,0,0,0,0|2,0,0]=4 23439 B13R1.555 ClCCCOCc1ccccc1I 34a_100000230001_100011215278 [0,2,0,0,0,0|2,0,0]=4 23440 B13R1.555 ClCCCOCc1ncccc1Br 34a_100000230001_100025702911 [0,2,0,0,0,0|1,0,0]=3 23441 B13R1.555 Clc1ccccc1CCOCCBr 34a_100000211926_100011713703 [0,2,0,0,0,0|2,0,0]=4 23442 B13R1.555 Clc1ccccc1COCCCBr 34a_100011217188_100000187162 [0,2,0,0,0,0|2,0,0]=4 23443 B13R1.555 FCCCCNc1ccccc1Br 34a_100000210017_100000729493 [0,2,0,0,0,0|2,0,0]=4 23444 B13R1.555 FCCCCNc1ccccc1Cl 34a_100000185783_100000729493 [0,2,0,0,0,0|2,0,0]=4 23445 B13R1.555 FCCCCNc1ccccc1F 34a_100000210422_100000729493 [0,2,0,0,0,0|2,0,0]=4 23446 B13R1.555 FCCCCNc1ccccc1I 34a_100000210053_100000729493 [0,2,0,0,0,0|2,0,0]=4 23447 B13R1.555 FCCCCOc1ccccc1Br 34a_100000181306_100000729493 [0,2,0,0,0,0|2,0,0]=4 23448 B13R1.555 FCCCCOc1ccccc1Br 7a_100000181306_100000729493 [0,2,0,0,0,0|2,0,0]=4 23449 B13R1.555 FCCCCOc1ccccc1Cl 34a_100000210172_100000729493 [0,2,0,0,0,0|2,0,0]=4 23450 B13R1.555 FCCCCOc1ccccc1Cl 7a_100000210172_100000729493 [0,2,0,0,0,0|2,0,0]=4 23451 B13R1.555 FCCCCOc1ccccc1F 34a_100000210171_100000729493 [0,2,0,0,0,0|2,0,0]=4 23452 B13R1.555 FCCCCOc1ccccc1F 7a_100000210171_100000729493 [0,2,0,0,0,0|2,0,0]=4 23453 B13R1.555 FCCCCOc1ccccc1I 34a_100000739446_100000729493 [0,2,0,0,0,0|2,0,0]=4 23454 B13R1.555 FCCCCOc1ccccc1I 7a_100000739446_100000729493 [0,2,0,0,0,0|2,0,0]=4 23455 B13R1.555 FCCCCOc1ncccc1Cl 34a_100011290957_100000729493 [0,2,0,0,0,0|1,0,0]=3 23456 B13R1.555 FCCCCOc1ncccc1F 34a_100011219419_100000729493 [0,2,0,0,0,0|1,0,0]=3 23457 B13R1.555 FCCCCSc1ccccc1Br 62a_100000695589_100000729493 [0,2,0,0,0,0|2,0,0]=4 23458 B13R1.555 FCCCCSc1ccccc1Br 62a_100000729493_100000695589 [0,2,0,0,0,0|2,0,0]=4 23459 B13R1.555 FCCCCSc1ccccc1Cl 62a_100000729493_100000764095 [0,2,0,0,0,0|2,0,0]=4 23460 B13R1.555 FCCCCSc1ccccc1Cl 62a_100000764095_100000729493 [0,2,0,0,0,0|2,0,0]=4 23461 B13R1.555 FCCCCSc1ccccc1F 62a_100000729493_100011215700 [0,2,0,0,0,0|2,0,0]=4 23462 B13R1.555 FCCCCSc1ccccc1F 62a_100011215700_100000729493 [0,2,0,0,0,0|2,0,0]=4 23463 B13R1.555 FCCCCSc1ncccc1Br 62a_100000696092_100000729493 [0,2,0,0,0,0|1,0,0]=3 23464 B13R1.555 FCCCCSc1ncccc1Br 62a_100000729493_100000696092 [0,2,0,0,0,0|1,0,0]=3 23465 B13R1.555 FCCCCSc1ncccc1Cl 62a_100000729493_100011356963 [0,2,0,0,0,0|1,0,0]=3 23466 B13R1.555 FCCCCSc1ncccc1Cl 62a_100011356963_100000729493 [0,2,0,0,0,0|1,0,0]=3 23467 B13R1.555 FCCCCSc1ncccc1F 62a_100000685392_100000729493 [0,2,0,0,0,0|1,0,0]=3 23468 B13R1.555 FCCCCSc1ncccc1F 62a_100000729493_100000685392 [0,2,0,0,0,0|1,0,0]=3 23469 B13R1.555 FCCCCSc1nccnc1Cl 62a_100000729493_100010886584 [0,2,0,0,0,0|2,0,0]=4 23470 B13R1.555 FCCCCSc1nccnc1Cl 62a_100010886584_100000729493 [0,2,0,0,0,0|2,0,0]=4 23471 B13R1.555 FCCCCSc1nccnc1F 62a_100000729493_200010125657 [0,2,0,0,0,0|2,0,0]=4 23472 B13R1.555 FCCCCSc1nccnc1F 62a_200010125657_100000729493 [0,2,0,0,0,0|2,0,0]=4 23473 B13R1.555 FCCCCSc1ncncc1F 62a_100000069762_100000729493 [0,2,0,0,0,0|2,0,0]=4 23474 B13R1.555 FCCCCSc1ncncc1F 62a_100000729493_100000069762 [0,2,0,0,0,0|2,0,0]=4 23475 B13R1.555 FCCCNCc1ccccc1Br 207a_100015189416_100000211189 [0,2,0,0,0,0|2,0,0]=4 23476 B13R1.555 FCCCNCc1ccccc1Br 2230a_100000689332_100011934791 [0,2,0,0,0,0|2,0,0]=4 23477 B13R1.555 FCCCNCc1ccccc1Br 2230a_100015189416_100000184730 [0,2,0,0,0,0|2,0,0]=4 23478 B13R1.555 FCCCNCc1ccccc1Br 270004a_100015189416_100000211189 [0,2,0,0,0,0|2,0,0]=4 23479 B13R1.555 FCCCNCc1ccccc1Br 34a_100000689332_100011934791 [0,2,0,0,0,0|2,0,0]=4 23480 B13R1.555 FCCCNCc1ccccc1Br 34a_100015189416_100000184730 [0,2,0,0,0,0|2,0,0]=4 23481 B13R1.555 FCCCNCc1ccccc1Cl 207a_100015189416_100000210073 [0,2,0,0,0,0|2,0,0]=4 23482 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100000174879_100011934791 [0,2,0,0,0,0|2,0,0]=4 23483 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100015189416_100000187162 [0,2,0,0,0,0|2,0,0]=4 23484 B13R1.555 FCCCNCc1ccccc1Cl 270004a_100015189416_100000210073 [0,2,0,0,0,0|2,0,0]=4 23485 B13R1.555 FCCCNCc1ccccc1Cl 34a_100000174879_100011934791 [0,2,0,0,0,0|2,0,0]=4 23486 B13R1.555 FCCCNCc1ccccc1Cl 34a_100015189416_100000187162 [0,2,0,0,0,0|2,0,0]=4 23487 B13R1.555 FCCCNCc1ccccc1F 207a_100015189416_100000210811 [0,2,0,0,0,0|2,0,0]=4 23488 B13R1.555 FCCCNCc1ccccc1F 2230a_100015189416_100000211605 [0,2,0,0,0,0|2,0,0]=4 23489 B13R1.555 FCCCNCc1ccccc1F 270004a_100015189416_100000210811 [0,2,0,0,0,0|2,0,0]=4 23490 B13R1.555 FCCCNCc1ccccc1F 34a_100000174869_100011934791 [0,2,0,0,0,0|2,0,0]=4 23491 B13R1.555 FCCCNCc1ccccc1F 34a_100015189416_100000211605 [0,2,0,0,0,0|2,0,0]=4 23492 B13R1.555 FCCCNCc1ccccc1I 207a_100015189416_100000010305 [0,2,0,0,0,0|2,0,0]=4 23493 B13R1.555 FCCCNCc1ccccc1I 2230a_100015189416_100011215278 [0,2,0,0,0,0|2,0,0]=4 23494 B13R1.555 FCCCNCc1ccccc1I 270004a_100015189416_100000010305 [0,2,0,0,0,0|2,0,0]=4 23495 B13R1.555 FCCCNCc1ccccc1I 34a_100015189416_100011215278 [0,2,0,0,0,0|2,0,0]=4 23496 B13R1.555 FCCCNCc1ncccc1Br 207a_100015189416_100011934733 [0,2,0,0,0,0|1,0,0]=3 23497 B13R1.555 FCCCNCc1ncccc1Br 2230a_100015189416_100025702911 [0,2,0,0,0,0|1,0,0]=3 23498 B13R1.555 FCCCNCc1ncccc1Br 270004a_100015189416_100011934733 [0,2,0,0,0,0|1,0,0]=3 23499 B13R1.555 FCCCNCc1ncccc1Br 34a_100015189416_100025702911 [0,2,0,0,0,0|1,0,0]=3 23500 B13R1.555 FCCCNCc1ncccc1Cl 207a_100015189416_100012001307 [0,2,0,0,0,0|1,0,0]=3 23501 B13R1.555 FCCCNCc1ncccc1Cl 2230a_100015189233_100011934791 [0,2,0,0,0,0|1,0,0]=3 23502 B13R1.555 FCCCNCc1ncccc1Cl 2230a_100015189416_100000099807 [0,2,0,0,0,0|1,0,0]=3 23503 B13R1.555 FCCCNCc1ncccc1Cl 270004a_100015189416_100012001307 [0,2,0,0,0,0|1,0,0]=3 23504 B13R1.555 FCCCNCc1ncccc1F 207a_100015189416_100011934734 [0,2,0,0,0,0|1,0,0]=3 23505 B13R1.555 FCCCNCc1ncccc1F 2230a_100015189416_100000104219 [0,2,0,0,0,0|1,0,0]=3 23506 B13R1.555 FCCCNCc1ncccc1F 270004a_100015189416_100011934734 [0,2,0,0,0,0|1,0,0]=3 23507 B13R1.555 FCCCNCc1ncccc1F 34a_100000690088_100011934791 [0,2,0,0,0,0|1,0,0]=3 23508 B13R1.555 FCCCNCc1ncccc1F 34a_100015189416_100000104219 [0,2,0,0,0,0|1,0,0]=3 23509 B13R1.555 FCCCNCc1nccnc1Cl 2230a_100000729963_100011934791 [0,2,0,0,0,0|2,0,0]=4 23510 B13R1.555 FCCCOCc1ccccc1Br 34a_100000756307_100011934791 [0,2,0,0,0,0|2,0,0]=4 23511 B13R1.555 FCCCOCc1ccccc1Br 34a_100000759539_100000184730 [0,2,0,0,0,0|2,0,0]=4 23512 B13R1.555 FCCCOCc1ccccc1Br 7a_100000756307_100011934791 [0,2,0,0,0,0|2,0,0]=4 23513 B13R1.555 FCCCOCc1ccccc1Cl 34a_100000210847_100011934791 [0,2,0,0,0,0|2,0,0]=4 23514 B13R1.555 FCCCOCc1ccccc1Cl 34a_100000759539_100000187162 [0,2,0,0,0,0|2,0,0]=4 23515 B13R1.555 FCCCOCc1ccccc1Cl 7a_100000210847_100011934791 [0,2,0,0,0,0|2,0,0]=4 23516 B13R1.555 FCCCOCc1ccccc1F 34a_100000211962_100011934791 [0,2,0,0,0,0|2,0,0]=4 23517 B13R1.555 FCCCOCc1ccccc1F 34a_100000759539_100000211605 [0,2,0,0,0,0|2,0,0]=4 23518 B13R1.555 FCCCOCc1ccccc1F 7a_100000211962_100011934791 [0,2,0,0,0,0|2,0,0]=4 23519 B13R1.555 FCCCOCc1ccccc1I 34a_100000187465_100011934791 [0,2,0,0,0,0|2,0,0]=4 23520 B13R1.555 FCCCOCc1ccccc1I 34a_100000759539_100011215278 [0,2,0,0,0,0|2,0,0]=4 23521 B13R1.555 FCCCOCc1ccccc1I 7a_100000187465_100011934791 [0,2,0,0,0,0|2,0,0]=4 23522 B13R1.555 FCCCOCc1ncccc1Br 34a_100000759539_100025702911 [0,2,0,0,0,0|1,0,0]=3 23523 B13R1.555 FCCCOCc1ncccc1Br 34a_100011996772_100011934791 [0,2,0,0,0,0|1,0,0]=3 23524 B13R1.555 FCCCOCc1ncccc1Cl 34a_100012002383_100011934791 [0,2,0,0,0,0|1,0,0]=3 23525 B13R1.555 FCCCOCc1ncccc1F 34a_100000759539_100000104219 [0,2,0,0,0,0|1,0,0]=3 23526 B13R1.555 FCCCOCc1ncccc1F 34a_100011934865_100011934791 [0,2,0,0,0,0|1,0,0]=3 23527 B13R1.555 FCCCOCc1nccnc1Cl 34a_100000057004_100011934791 [0,2,0,0,0,0|2,0,0]=4 23528 B13R1.555 FCCCSCc1ccccc1Br 62a_100000184730_100011934791 [0,2,0,0,0,0|2,0,0]=4 23529 B13R1.555 FCCCSCc1ccccc1Br 62a_100011934791_100000184730 [0,2,0,0,0,0|2,0,0]=4 23530 B13R1.555 FCCCSCc1ccccc1Cl 62a_100000187162_100011934791 [0,2,0,0,0,0|2,0,0]=4 23531 B13R1.555 FCCCSCc1ccccc1Cl 62a_100011934791_100000187162 [0,2,0,0,0,0|2,0,0]=4 23532 B13R1.555 FCCCSCc1ccccc1F 62a_100000211605_100011934791 [0,2,0,0,0,0|2,0,0]=4 23533 B13R1.555 FCCCSCc1ccccc1F 62a_100011934791_100000211605 [0,2,0,0,0,0|2,0,0]=4 23534 B13R1.555 FCCCSCc1ccccc1I 62a_100011216222_100011934791 [0,2,0,0,0,0|2,0,0]=4 23535 B13R1.555 FCCCSCc1ccccc1I 62a_100011934791_100011216222 [0,2,0,0,0,0|2,0,0]=4 23536 B13R1.555 FCCCSCc1ncccc1Br 62a_100011934791_100025702911 [0,2,0,0,0,0|1,0,0]=3 23537 B13R1.555 FCCCSCc1ncccc1Br 62a_100025702911_100011934791 [0,2,0,0,0,0|1,0,0]=3 23538 B13R1.555 FCCCSCc1ncccc1Cl 62a_100000099807_100011934791 [0,2,0,0,0,0|1,0,0]=3 23539 B13R1.555 FCCCSCc1ncccc1Cl 62a_100011934791_100000099807 [0,2,0,0,0,0|1,0,0]=3 23540 B13R1.555 FCCCSCc1ncccc1F 62a_100000104219_100011934791 [0,2,0,0,0,0|1,0,0]=3 23541 B13R1.555 FCCCSCc1ncccc1F 62a_100011934791_100000104219 [0,2,0,0,0,0|1,0,0]=3 23542 B13R1.555 FCCNCCc1ccccc1Br 2230a_100000747383_100011217306 [0,2,0,0,0,0|2,0,0]=4 23543 B13R1.555 FCCNCCc1ccccc1Br 34a_100000724931_100012161201 [0,2,0,0,0,0|2,0,0]=4 23544 B13R1.555 FCCNCCc1ccccc1Br 34a_100000747383_100011217306 [0,2,0,0,0,0|2,0,0]=4 23545 B13R1.555 FCCNCCc1ccccc1Cl 2230a_100011207228_100011217306 [0,2,0,0,0,0|2,0,0]=4 23546 B13R1.555 FCCNCCc1ccccc1Cl 34a_100000724931_100011713703 [0,2,0,0,0,0|2,0,0]=4 23547 B13R1.555 FCCNCCc1ccccc1Cl 34a_100011207228_100011217306 [0,2,0,0,0,0|2,0,0]=4 23548 B13R1.555 FCCNCCc1ccccc1F 2230a_100000185272_100011217306 [0,2,0,0,0,0|2,0,0]=4 23549 B13R1.555 FCCNCCc1ccccc1F 34a_100000185272_100011217306 [0,2,0,0,0,0|2,0,0]=4 23550 B13R1.555 FCCNCCc1ccccc1F 34a_100000724931_100000720011 [0,2,0,0,0,0|2,0,0]=4 23551 B13R1.555 FCCOCCc1ccccc1Br 34a_100000731337_100011217306 [0,2,0,0,0,0|2,0,0]=4 23552 B13R1.555 FCCOCCc1ccccc1Br 7a_100000731337_100011217306 [0,2,0,0,0,0|2,0,0]=4 23553 B13R1.555 FCCOCCc1ccccc1Cl 34a_100011215284_100011217306 [0,2,0,0,0,0|2,0,0]=4 23554 B13R1.555 FCCOCCc1ccccc1Cl 7a_100011215284_100011217306 [0,2,0,0,0,0|2,0,0]=4 23555 B13R1.555 FCCOCCc1ccccc1F 34a_100000753711_100011217306 [0,2,0,0,0,0|2,0,0]=4 23556 B13R1.555 FCCOCCc1ccccc1F 7a_100000753711_100011217306 [0,2,0,0,0,0|2,0,0]=4 23557 B13R1.555 FCCOCCc1ccccc1I 34a_100010255290_100011217306 [0,2,0,0,0,0|2,0,0]=4 23558 B13R1.555 FCCOCCc1ccccc1I 7a_100010255290_100011217306 [0,2,0,0,0,0|2,0,0]=4 23559 B13R1.555 FCCSCCc1ccccc1Br 62a_100011217306_100012161201 [0,2,0,0,0,0|2,0,0]=4 23560 B13R1.555 FCCSCCc1ccccc1Br 62a_100012161201_100011217306 [0,2,0,0,0,0|2,0,0]=4 23561 B13R1.555 FCCSCCc1ccccc1Cl 62a_100011217306_100011713703 [0,2,0,0,0,0|2,0,0]=4 23562 B13R1.555 FCCSCCc1ccccc1Cl 62a_100011713703_100011217306 [0,2,0,0,0,0|2,0,0]=4 23563 B13R1.555 FCCSCCc1ccccc1F 62a_100011217306_100011713696 [0,2,0,0,0,0|2,0,0]=4 23564 B13R1.555 FCCSCCc1ccccc1F 62a_100011713696_100011217306 [0,2,0,0,0,0|2,0,0]=4 23565 B13R1.555 FCNCCCc1ccccc1F 34a_100000724733_100015361967 [0,2,0,0,0,0|2,0,0]=4 23566 B13R1.555 FCOCCCc1ccccc1Br 34a_100000699526_100015361967 [0,2,0,0,0,0|2,0,0]=4 23567 B13R1.555 FCOCCCc1ccccc1Br 7a_100000699526_100015361967 [0,2,0,0,0,0|2,0,0]=4 23568 B13R1.555 FCOCCCc1ccccc1Cl 34a_100011709251_100015361967 [0,2,0,0,0,0|2,0,0]=4 23569 B13R1.555 FCOCCCc1ccccc1Cl 7a_100011709251_100015361967 [0,2,0,0,0,0|2,0,0]=4 23570 B13R1.555 FCOCCCc1ccccc1F 34a_100011709249_100015361967 [0,2,0,0,0,0|2,0,0]=4 23571 B13R1.555 FCOCCCc1ccccc1F 7a_100011709249_100015361967 [0,2,0,0,0,0|2,0,0]=4 23572 B13R1.555 FCSCCCc1ccccc1Br 62a_100015361967_200011713681 [0,2,0,0,0,0|2,0,0]=4 23573 B13R1.555 FCSCCCc1ccccc1Br 62a_200011713681_100015361967 [0,2,0,0,0,0|2,0,0]=4 23574 B13R1.555 Fc1ccccc1CCOCCBr 34a_100000211926_100000720011 [0,2,0,0,0,0|2,0,0]=4 23575 B13R1.555 Fc1ccccc1COCCCBr 34a_100011217188_100000211605 [0,2,0,0,0,0|2,0,0]=4 23576 B13R1.555 Fc1ccccc1COCCCCl 34a_100000230001_100000211605 [0,2,0,0,0,0|2,0,0]=4 23577 B13R1.555 Fc1cccnc1COCCCBr 34a_100011217188_100000104219 [0,2,0,0,0,0|1,0,0]=3 23578 B13R1.555 Fc1cccnc1COCCCCl 34a_100000230001_100000104219 [0,2,0,0,0,0|1,0,0]=3 23579 B13R1.555 N#CCCCSc1ncccc1Br 62a_100000687738_100000696092 [0,2,0,0,0,0|1,0,1]=4 23580 B13R1.555 N#CCCCSc1ncccc1Br 62a_100000696092_100000687738 [0,2,0,0,0,0|1,0,1]=4 23581 B13R1.555 N#CCCCSc1ncccc1Cl 62a_100000687738_100011356963 [0,2,0,0,0,0|1,0,1]=4 23582 B13R1.555 N#CCCCSc1ncccc1Cl 62a_100011356963_100000687738 [0,2,0,0,0,0|1,0,1]=4 23583 B13R1.555 N#CCCCSc1ncccc1F 62a_100000685392_100000687738 [0,2,0,0,0,0|1,0,1]=4 23584 B13R1.555 N#CCCCSc1ncccc1F 62a_100000687738_100000685392 [0,2,0,0,0,0|1,0,1]=4 23585 B13R1.555 N#CCCCSc1ncccc1N 62a_100000687738_100000688686 [0,2,0,0,0,0|1,0,1]=4 23586 B13R1.555 N#CCCCSc1ncccc1N 62a_100000688686_100000687738 [0,2,0,0,0,0|1,0,1]=4 23587 B13R1.555 N#CCCCSc1ncccc1O 62a_100000034122_100000687738 [0,2,0,0,0,0|1,0,1]=4 23588 B13R1.555 N#CCCCSc1ncccc1O 62a_100000687738_100000034122 [0,2,0,0,0,0|1,0,1]=4 23589 B13R1.555 N#CCCNCc1ncccc1Br 270004a_100000720768_100011934733 [0,2,0,0,0,0|1,0,1]=4 23590 B13R1.555 N#CCCNCc1ncccc1Cl 2230a_100015189233_100011215226 [0,2,0,0,0,0|1,0,1]=4 23591 B13R1.555 N#CCCNCc1ncccc1Cl 270004a_100000720768_100012001307 [0,2,0,0,0,0|1,0,1]=4 23592 B13R1.555 N#CCCNCc1ncccc1F 270004a_100000720768_100011934734 [0,2,0,0,0,0|1,0,1]=4 23593 B13R1.555 N#CCCSCc1ncccc1Br 62a_100011215226_100025702911 [0,2,0,0,0,0|1,0,1]=4 23594 B13R1.555 N#CCCSCc1ncccc1Br 62a_100025702911_100011215226 [0,2,0,0,0,0|1,0,1]=4 23595 B13R1.555 N#CCCSCc1ncccc1Cl 62a_100000099807_100011215226 [0,2,0,0,0,0|1,0,1]=4 23596 B13R1.555 N#CCCSCc1ncccc1Cl 62a_100011215226_100000099807 [0,2,0,0,0,0|1,0,1]=4 23597 B13R1.555 N#CCCSCc1ncccc1F 62a_100000104219_100011215226 [0,2,0,0,0,0|1,0,1]=4 23598 B13R1.555 N#CCCSCc1ncccc1F 62a_100011215226_100000104219 [0,2,0,0,0,0|1,0,1]=4 23599 B13R1.555 N#CCCSCc1ncccc1O 62a_100011215226_200020655725 [0,2,0,0,0,0|1,0,1]=4 23600 B13R1.555 N#CCCSCc1ncccc1O 62a_200020655725_100011215226 [0,2,0,0,0,0|1,0,1]=4 23601 B13R1.555 NCCCOCc1ccccc1Br 34a_100000182051_100000184730 [0,2,0,0,0,0|2,0,0]=4 23602 B13R1.555 NCCCOCc1ccccc1Cl 34a_100000182051_100000187162 [0,2,0,0,0,0|2,0,0]=4 23603 B13R1.555 NCCCOCc1ccccc1F 34a_100000182051_100000211605 [0,2,0,0,0,0|2,0,0]=4 23604 B13R1.555 NCCCOCc1ccccc1I 34a_100000182051_100011215278 [0,2,0,0,0,0|2,0,0]=4 23605 B13R1.555 NCCCOCc1ncccc1Br 34a_100000182051_100025702911 [0,2,0,0,0,0|1,0,0]=3 23606 B13R1.555 NCCCOCc1ncccc1F 34a_100000182051_100000104219 [0,2,0,0,0,0|1,0,0]=3 23607 B13R1.555 NCCCOCc1ncccc1O 34a_100000182051_200020655725 [0,2,0,0,0,0|1,0,0]=3 23608 B13R1.555 NCCOCCc1ccccc1Br 34a_100000210304_100012161201 [0,2,0,0,0,0|2,0,0]=4 23609 B13R1.555 NCCOCCc1ccccc1Cl 34a_100000210304_100011713703 [0,2,0,0,0,0|2,0,0]=4 23610 B13R1.555 NCCOCCc1ccccc1F 34a_100000210304_100000720011 [0,2,0,0,0,0|2,0,0]=4 23611 B13R1.555 NCCOCCc1ccccc1O 34a_100000210304_100000722297 [0,2,0,0,0,0|2,0,0]=4 23612 B13R1.555 NOCCOCc1ncccc1Br 34a_100000700252_100025702911 [0,2,0,0,0,0|2,0,0]=4 23613 B13R1.555 NOCCOCc1ncccc1F 34a_100000700252_100000104219 [0,2,0,0,0,0|2,0,0]=4 23614 B13R1.555 NOCCOCc1ncccc1O 34a_100000700252_200020655725 [0,2,0,0,0,0|2,0,0]=4 23615 B13R1.555 Nc1ccccc1CCOCCF 34a_100011215289_100011217306 [0,2,0,0,0,0|2,0,0]=4 23616 B13R1.555 Nc1ccccc1CCOCCO 34a_100011215289_100000211926 [0,2,0,0,0,0|2,0,0]=4 23617 B13R1.555 Nc1ccccc1COCCCF 34a_100000212039_100011934791 [0,2,0,0,0,0|2,0,0]=4 23618 B13R1.555 Nc1ccccc1COCCCO 34a_100000212039_100000230001 [0,2,0,0,0,0|2,0,0]=4 23619 B13R1.555 Nc1ccccc1OCCCCF 34a_100000185747_100000729493 [0,2,0,0,0,0|2,0,0]=4 23620 B13R1.555 Nc1ccccc1OCCCCF 7a_100000185747_100000729493 [0,2,0,0,0,0|2,0,0]=4 23621 B13R1.555 Nc1ccccc1OCCCCO 34a_100000185747_100011216708 [0,2,0,0,0,0|2,0,0]=4 23622 B13R1.555 Nc1ccccc1OCCCCO 7a_100000185747_100000210776 [0,2,0,0,0,0|2,0,0]=4 23623 B13R1.555 Nc1ccccc1SCCCCF 62a_100000210017_100000729493 [0,2,0,0,0,0|2,0,0]=4 23624 B13R1.555 Nc1ccccc1SCCCCF 62a_100000729493_100000210017 [0,2,0,0,0,0|2,0,0]=4 23625 B13R1.555 Nc1ccccc1SCCCCO 62a_100000210017_100000210776 [0,2,0,0,0,0|2,0,0]=4 23626 B13R1.555 Nc1ccccc1SCCCCO 62a_100000210776_100000210017 [0,2,0,0,0,0|2,0,0]=4 23627 B13R1.555 Nc1cccnc1COCCCF 34a_114873767017_100011934791 [0,2,0,0,0,0|1,0,0]=3 23628 B13R1.555 Nc1cccnc1COCCCO 34a_114873767017_100000230001 [0,2,0,0,0,0|1,0,0]=3 23629 B13R1.555 Nc1cccnc1OCCCCF 34a_100000746358_100000729493 [0,2,0,0,0,0|1,0,0]=3 23630 B13R1.555 Nc1cccnc1OCCCCO 34a_100000746358_100011216708 [0,2,0,0,0,0|1,0,0]=3 23631 B13R1.555 Nc1cccnc1SCCCC=O 62a_100000688686_200011292268 [0,2,0,0,0,0|1,0,1]=4 23632 B13R1.555 Nc1cccnc1SCCCC=O 62a_200011292268_100000688686 [0,2,0,0,0,0|1,0,1]=4 23633 B13R1.555 Nc1cccnc1SCCCCF 62a_100000688686_100000729493 [0,2,0,0,0,0|1,0,0]=3 23634 B13R1.555 Nc1cccnc1SCCCCF 62a_100000729493_100000688686 [0,2,0,0,0,0|1,0,0]=3 23635 B13R1.555 Nc1cccnc1SCCCCO 62a_100000210776_100000688686 [0,2,0,0,0,0|1,0,0]=3 23636 B13R1.555 Nc1cccnc1SCCCCO 62a_100000688686_100000210776 [0,2,0,0,0,0|1,0,0]=3 23637 B13R1.555 Nc1cncnc1NCCCCO 27a_100000750430_100000709731 [0,2,0,0,0,0|2,0,0]=4 23638 B13R1.555 Nc1cncnc1SCCCCF 62a_100000709731_100000729493 [0,2,0,0,0,0|2,0,0]=4 23639 B13R1.555 Nc1cncnc1SCCCCF 62a_100000729493_100000709731 [0,2,0,0,0,0|2,0,0]=4 23640 B13R1.555 Nc1cncnc1SCCCCO 62a_100000210776_100000709731 [0,2,0,0,0,0|2,0,0]=4 23641 B13R1.555 Nc1cncnc1SCCCCO 62a_100000709731_100000210776 [0,2,0,0,0,0|2,0,0]=4 23642 B13R1.555 Nc1nccnc1SCCCCF 62a_100000729493_100000747729 [0,2,0,0,0,0|2,0,0]=4 23643 B13R1.555 Nc1nccnc1SCCCCF 62a_100000747729_100000729493 [0,2,0,0,0,0|2,0,0]=4 23644 B13R1.555 Nc1nccnc1SCCCCO 62a_100000210776_100000747729 [0,2,0,0,0,0|2,0,0]=4 23645 B13R1.555 Nc1nccnc1SCCCCO 62a_100000747729_100000210776 [0,2,0,0,0,0|2,0,0]=4 23646 B13R1.555 O=CCCCSc1ncccc1Br 62a_100000696092_200011292268 [0,2,0,0,0,0|1,0,1]=4 23647 B13R1.555 O=CCCCSc1ncccc1Br 62a_200011292268_100000696092 [0,2,0,0,0,0|1,0,1]=4 23648 B13R1.555 O=CCCCSc1ncccc1Cl 62a_100011356963_200011292268 [0,2,0,0,0,0|1,0,1]=4 23649 B13R1.555 O=CCCCSc1ncccc1Cl 62a_200011292268_100011356963 [0,2,0,0,0,0|1,0,1]=4 23650 B13R1.555 O=CCCCSc1ncccc1F 62a_100000685392_200011292268 [0,2,0,0,0,0|1,0,1]=4 23651 B13R1.555 O=CCCCSc1ncccc1F 62a_200011292268_100000685392 [0,2,0,0,0,0|1,0,1]=4 23652 B13R1.555 O=CCCCSc1ncccc1O 62a_100000034122_200011292268 [0,2,0,0,0,0|1,0,1]=4 23653 B13R1.555 O=CCCCSc1ncccc1O 62a_200011292268_100000034122 [0,2,0,0,0,0|1,0,1]=4 23654 B13R1.555 O=c1[nH]ccnc1SCCCCF 62a_100000729493_100000763361 [0,2,0,0,0,0|2,0,0]=4 23655 B13R1.555 O=c1[nH]ccnc1SCCCCO 62a_100000210776_100000763361 [0,2,0,0,0,0|2,0,0]=4 23656 B13R1.555 OCCCCNc1ccccc1Br 34a_100000210017_100011216708 [0,2,0,0,0,0|2,0,0]=4 23657 B13R1.555 OCCCCNc1ccccc1Cl 34a_100000185783_100011216708 [0,2,0,0,0,0|2,0,0]=4 23658 B13R1.555 OCCCCNc1ccccc1F 34a_100000210422_100011216708 [0,2,0,0,0,0|2,0,0]=4 23659 B13R1.555 OCCCCNc1ccccc1I 34a_100000210053_100011216708 [0,2,0,0,0,0|2,0,0]=4 23660 B13R1.555 OCCCCNc1ccccc1O 34a_100000185747_100011216708 [0,2,0,0,0,0|2,0,0]=4 23661 B13R1.555 OCCCCNc1ncccc1Br 27a_100000750430_100000696092 [0,2,0,0,0,0|1,0,0]=3 23662 B13R1.555 OCCCCNc1nccnc1F 27a_100000750430_200010125657 [0,2,0,0,0,0|2,0,0]=4 23663 B13R1.555 OCCCCNc1ncncc1F 27a_100000750430_100000069762 [0,2,0,0,0,0|2,0,0]=4 23664 B13R1.555 OCCCCOc1ccccc1Br 34a_100000181306_100011216708 [0,2,0,0,0,0|2,0,0]=4 23665 B13R1.555 OCCCCOc1ccccc1Br 7a_100000181306_100000210776 [0,2,0,0,0,0|2,0,0]=4 23666 B13R1.555 OCCCCOc1ccccc1Cl 34a_100000210172_100011216708 [0,2,0,0,0,0|2,0,0]=4 23667 B13R1.555 OCCCCOc1ccccc1Cl 7a_100000210172_100000210776 [0,2,0,0,0,0|2,0,0]=4 23668 B13R1.555 OCCCCOc1ccccc1F 34a_100000210171_100011216708 [0,2,0,0,0,0|2,0,0]=4 23669 B13R1.555 OCCCCOc1ccccc1F 7a_100000210171_100000210776 [0,2,0,0,0,0|2,0,0]=4 23670 B13R1.555 OCCCCOc1ccccc1I 34a_100000739446_100011216708 [0,2,0,0,0,0|2,0,0]=4 23671 B13R1.555 OCCCCOc1ccccc1I 7a_100000739446_100000210776 [0,2,0,0,0,0|2,0,0]=4 23672 B13R1.555 OCCCCOc1ncccc1Cl 34a_100011290957_100011216708 [0,2,0,0,0,0|1,0,0]=3 23673 B13R1.555 OCCCCOc1ncccc1F 34a_100011219419_100011216708 [0,2,0,0,0,0|1,0,0]=3 23674 B13R1.555 OCCCCSc1ccccc1Br 62a_100000210776_100000695589 [0,2,0,0,0,0|2,0,0]=4 23675 B13R1.555 OCCCCSc1ccccc1Br 62a_100000695589_100000210776 [0,2,0,0,0,0|2,0,0]=4 23676 B13R1.555 OCCCCSc1ccccc1Cl 62a_100000210776_100000764095 [0,2,0,0,0,0|2,0,0]=4 23677 B13R1.555 OCCCCSc1ccccc1Cl 62a_100000764095_100000210776 [0,2,0,0,0,0|2,0,0]=4 23678 B13R1.555 OCCCCSc1ccccc1F 62a_100000210776_100011215700 [0,2,0,0,0,0|2,0,0]=4 23679 B13R1.555 OCCCCSc1ccccc1F 62a_100011215700_100000210776 [0,2,0,0,0,0|2,0,0]=4 23680 B13R1.555 OCCCCSc1ccccc1O 62a_100000210776_100000739446 [0,2,0,0,0,0|2,0,0]=4 23681 B13R1.555 OCCCCSc1ccccc1O 62a_100000739446_100000210776 [0,2,0,0,0,0|2,0,0]=4 23682 B13R1.555 OCCCCSc1ncccc1Br 62a_100000210776_100000696092 [0,2,0,0,0,0|1,0,0]=3 23683 B13R1.555 OCCCCSc1ncccc1Br 62a_100000696092_100000210776 [0,2,0,0,0,0|1,0,0]=3 23684 B13R1.555 OCCCCSc1ncccc1Cl 62a_100000210776_100011356963 [0,2,0,0,0,0|1,0,0]=3 23685 B13R1.555 OCCCCSc1ncccc1Cl 62a_100011356963_100000210776 [0,2,0,0,0,0|1,0,0]=3 23686 B13R1.555 OCCCCSc1ncccc1F 62a_100000210776_100000685392 [0,2,0,0,0,0|1,0,0]=3 23687 B13R1.555 OCCCCSc1ncccc1F 62a_100000685392_100000210776 [0,2,0,0,0,0|1,0,0]=3 23688 B13R1.555 OCCCCSc1ncccc1O 62a_100000034122_100000210776 [0,2,0,0,0,0|1,0,0]=3 23689 B13R1.555 OCCCCSc1ncccc1O 62a_100000210776_100000034122 [0,2,0,0,0,0|1,0,0]=3 23690 B13R1.555 OCCCCSc1nccnc1Cl 62a_100000210776_100010886584 [0,2,0,0,0,0|2,0,0]=4 23691 B13R1.555 OCCCCSc1nccnc1Cl 62a_100010886584_100000210776 [0,2,0,0,0,0|2,0,0]=4 23692 B13R1.555 OCCCCSc1nccnc1F 62a_100000210776_200010125657 [0,2,0,0,0,0|2,0,0]=4 23693 B13R1.555 OCCCCSc1nccnc1F 62a_200010125657_100000210776 [0,2,0,0,0,0|2,0,0]=4 23694 B13R1.555 OCCCCSc1ncncc1F 62a_100000069762_100000210776 [0,2,0,0,0,0|2,0,0]=4 23695 B13R1.555 OCCCCSc1ncncc1F 62a_100000210776_100000069762 [0,2,0,0,0,0|2,0,0]=4 23696 B13R1.555 OCCCNCc1ccccc1Br 207a_100000182051_100000211189 [0,2,0,0,0,0|2,0,0]=4 23697 B13R1.555 OCCCNCc1ccccc1Br 2230a_100000689332_100000230001 [0,2,0,0,0,0|2,0,0]=4 23698 B13R1.555 OCCCNCc1ccccc1Br 270004a_100000182051_100000211189 [0,2,0,0,0,0|2,0,0]=4 23699 B13R1.555 OCCCNCc1ccccc1Br 34a_100000689332_100000230001 [0,2,0,0,0,0|2,0,0]=4 23700 B13R1.555 OCCCNCc1ccccc1Cl 207a_100000182051_100000210073 [0,2,0,0,0,0|2,0,0]=4 23701 B13R1.555 OCCCNCc1ccccc1Cl 2230a_100000174879_100000230001 [0,2,0,0,0,0|2,0,0]=4 23702 B13R1.555 OCCCNCc1ccccc1Cl 270004a_100000182051_100000210073 [0,2,0,0,0,0|2,0,0]=4 23703 B13R1.555 OCCCNCc1ccccc1Cl 34a_100000174879_100000230001 [0,2,0,0,0,0|2,0,0]=4 23704 B13R1.555 OCCCNCc1ccccc1F 207a_100000182051_100000210811 [0,2,0,0,0,0|2,0,0]=4 23705 B13R1.555 OCCCNCc1ccccc1F 270004a_100000182051_100000210811 [0,2,0,0,0,0|2,0,0]=4 23706 B13R1.555 OCCCNCc1ccccc1F 34a_100000174869_100000230001 [0,2,0,0,0,0|2,0,0]=4 23707 B13R1.555 OCCCNCc1ccccc1I 207a_100000182051_100000010305 [0,2,0,0,0,0|2,0,0]=4 23708 B13R1.555 OCCCNCc1ccccc1I 270004a_100000182051_100000010305 [0,2,0,0,0,0|2,0,0]=4 23709 B13R1.555 OCCCNCc1ccccc1O 34a_100000185550_100000230001 [0,2,0,0,0,0|2,0,0]=4 23710 B13R1.555 OCCCNCc1ncccc1Br 207a_100000182051_100011934733 [0,2,0,0,0,0|1,0,0]=3 23711 B13R1.555 OCCCNCc1ncccc1Br 270004a_100000182051_100011934733 [0,2,0,0,0,0|1,0,0]=3 23712 B13R1.555 OCCCNCc1ncccc1Cl 207a_100000182051_100012001307 [0,2,0,0,0,0|1,0,0]=3 23713 B13R1.555 OCCCNCc1ncccc1Cl 2230a_100015189233_100000230001 [0,2,0,0,0,0|1,0,0]=3 23714 B13R1.555 OCCCNCc1ncccc1Cl 270004a_100000182051_100012001307 [0,2,0,0,0,0|1,0,0]=3 23715 B13R1.555 OCCCNCc1ncccc1F 207a_100000182051_100011934734 [0,2,0,0,0,0|1,0,0]=3 23716 B13R1.555 OCCCNCc1ncccc1F 270004a_100000182051_100011934734 [0,2,0,0,0,0|1,0,0]=3 23717 B13R1.555 OCCCNCc1ncccc1F 34a_100000690088_100000230001 [0,2,0,0,0,0|1,0,0]=3 23718 B13R1.555 OCCCNCc1nccnc1Cl 2230a_100000729963_100000230001 [0,2,0,0,0,0|2,0,0]=4 23719 B13R1.555 OCCCOCc1ccccc1Br 34a_100000756307_100000230001 [0,2,0,0,0,0|2,0,0]=4 23720 B13R1.555 OCCCOCc1ccccc1Br 7a_100000756307_100011215043 [0,2,0,0,0,0|2,0,0]=4 23721 B13R1.555 OCCCOCc1ccccc1Cl 34a_100000210847_100000230001 [0,2,0,0,0,0|2,0,0]=4 23722 B13R1.555 OCCCOCc1ccccc1Cl 7a_100000210847_100011215043 [0,2,0,0,0,0|2,0,0]=4 23723 B13R1.555 OCCCOCc1ccccc1F 34a_100000211962_100000230001 [0,2,0,0,0,0|2,0,0]=4 23724 B13R1.555 OCCCOCc1ccccc1F 7a_100000211962_100011215043 [0,2,0,0,0,0|2,0,0]=4 23725 B13R1.555 OCCCOCc1ccccc1I 34a_100000187465_100000230001 [0,2,0,0,0,0|2,0,0]=4 23726 B13R1.555 OCCCOCc1ccccc1I 7a_100000187465_100011215043 [0,2,0,0,0,0|2,0,0]=4 23727 B13R1.555 OCCCOCc1ncccc1Br 34a_100011996772_100000230001 [0,2,0,0,0,0|1,0,0]=3 23728 B13R1.555 OCCCOCc1ncccc1Cl 34a_100012002383_100000230001 [0,2,0,0,0,0|1,0,0]=3 23729 B13R1.555 OCCCOCc1ncccc1F 34a_100011934865_100000230001 [0,2,0,0,0,0|1,0,0]=3 23730 B13R1.555 OCCCOCc1nccnc1Cl 34a_100000057004_100000230001 [0,2,0,0,0,0|2,0,0]=4 23731 B13R1.555 OCCCSCc1ccccc1Br 62a_100000184730_100011215043 [0,2,0,0,0,0|2,0,0]=4 23732 B13R1.555 OCCCSCc1ccccc1Br 62a_100011215043_100000184730 [0,2,0,0,0,0|2,0,0]=4 23733 B13R1.555 OCCCSCc1ccccc1Cl 62a_100000187162_100011215043 [0,2,0,0,0,0|2,0,0]=4 23734 B13R1.555 OCCCSCc1ccccc1Cl 62a_100011215043_100000187162 [0,2,0,0,0,0|2,0,0]=4 23735 B13R1.555 OCCCSCc1ccccc1F 62a_100000211605_100011215043 [0,2,0,0,0,0|2,0,0]=4 23736 B13R1.555 OCCCSCc1ccccc1F 62a_100011215043_100000211605 [0,2,0,0,0,0|2,0,0]=4 23737 B13R1.555 OCCCSCc1ccccc1I 62a_100011215043_100011216222 [0,2,0,0,0,0|2,0,0]=4 23738 B13R1.555 OCCCSCc1ccccc1I 62a_100011216222_100011215043 [0,2,0,0,0,0|2,0,0]=4 23739 B13R1.555 OCCCSCc1ncccc1Br 62a_100011215043_100025702911 [0,2,0,0,0,0|1,0,0]=3 23740 B13R1.555 OCCCSCc1ncccc1Br 62a_100025702911_100011215043 [0,2,0,0,0,0|1,0,0]=3 23741 B13R1.555 OCCCSCc1ncccc1Cl 62a_100000099807_100011215043 [0,2,0,0,0,0|1,0,0]=3 23742 B13R1.555 OCCCSCc1ncccc1Cl 62a_100011215043_100000099807 [0,2,0,0,0,0|1,0,0]=3 23743 B13R1.555 OCCCSCc1ncccc1F 62a_100000104219_100011215043 [0,2,0,0,0,0|1,0,0]=3 23744 B13R1.555 OCCCSCc1ncccc1F 62a_100011215043_100000104219 [0,2,0,0,0,0|1,0,0]=3 23745 B13R1.555 OCCCSCc1ncccc1O 62a_100011215043_200020655725 [0,2,0,0,0,0|1,0,0]=3 23746 B13R1.555 OCCCSCc1ncccc1O 62a_200020655725_100011215043 [0,2,0,0,0,0|1,0,0]=3 23747 B13R1.555 OCCNCCc1ccccc1Br 2230a_100000747383_100000211926 [0,2,0,0,0,0|2,0,0]=4 23748 B13R1.555 OCCNCCc1ccccc1Br 2230a_100016997473_100012161201 [0,2,0,0,0,0|2,0,0]=4 23749 B13R1.555 OCCNCCc1ccccc1Br 34a_100000747383_100000211926 [0,2,0,0,0,0|2,0,0]=4 23750 B13R1.555 OCCNCCc1ccccc1Br 34a_100016990907_100012161201 [0,2,0,0,0,0|2,0,0]=4 23751 B13R1.555 OCCNCCc1ccccc1Cl 2230a_100011207228_100000211926 [0,2,0,0,0,0|2,0,0]=4 23752 B13R1.555 OCCNCCc1ccccc1Cl 2230a_100016997473_100011713703 [0,2,0,0,0,0|2,0,0]=4 23753 B13R1.555 OCCNCCc1ccccc1Cl 270004a_100000210304_200011713468 [0,2,0,0,0,0|2,0,0]=4 23754 B13R1.555 OCCNCCc1ccccc1Cl 34a_100011207228_100000211926 [0,2,0,0,0,0|2,0,0]=4 23755 B13R1.555 OCCNCCc1ccccc1Cl 34a_100016990907_100011713703 [0,2,0,0,0,0|2,0,0]=4 23756 B13R1.555 OCCNCCc1ccccc1F 2230a_100000185272_100000211926 [0,2,0,0,0,0|2,0,0]=4 23757 B13R1.555 OCCNCCc1ccccc1F 2230a_100016997473_100011713696 [0,2,0,0,0,0|2,0,0]=4 23758 B13R1.555 OCCNCCc1ccccc1F 34a_100000185272_100000211926 [0,2,0,0,0,0|2,0,0]=4 23759 B13R1.555 OCCNCCc1ccccc1F 34a_100016990907_100000720011 [0,2,0,0,0,0|2,0,0]=4 23760 B13R1.555 OCCNCCc1ccccc1O 34a_100011207237_100000211926 [0,2,0,0,0,0|2,0,0]=4 23761 B13R1.555 OCCNCCc1ccccc1O 34a_100016990907_100000722297 [0,2,0,0,0,0|2,0,0]=4 23762 B13R1.555 OCCOCCc1ccccc1Br 34a_100000731337_100000211926 [0,2,0,0,0,0|2,0,0]=4 23763 B13R1.555 OCCOCCc1ccccc1Br 7a_100000731337_100000211926 [0,2,0,0,0,0|2,0,0]=4 23764 B13R1.555 OCCOCCc1ccccc1Cl 34a_100011215284_100000211926 [0,2,0,0,0,0|2,0,0]=4 23765 B13R1.555 OCCOCCc1ccccc1Cl 7a_100011215284_100000211926 [0,2,0,0,0,0|2,0,0]=4 23766 B13R1.555 OCCOCCc1ccccc1F 34a_100000753711_100000211926 [0,2,0,0,0,0|2,0,0]=4 23767 B13R1.555 OCCOCCc1ccccc1F 7a_100000753711_100000211926 [0,2,0,0,0,0|2,0,0]=4 23768 B13R1.555 OCCOCCc1ccccc1I 34a_100010255290_100000211926 [0,2,0,0,0,0|2,0,0]=4 23769 B13R1.555 OCCOCCc1ccccc1I 7a_100010255290_100000211926 [0,2,0,0,0,0|2,0,0]=4 23770 B13R1.555 OCCSCCc1ccccc1Br 62a_100000211926_100012161201 [0,2,0,0,0,0|2,0,0]=4 23771 B13R1.555 OCCSCCc1ccccc1Br 62a_100012161201_100000211926 [0,2,0,0,0,0|2,0,0]=4 23772 B13R1.555 OCCSCCc1ccccc1Cl 62a_100000211926_100011713703 [0,2,0,0,0,0|2,0,0]=4 23773 B13R1.555 OCCSCCc1ccccc1Cl 62a_100011713703_100000211926 [0,2,0,0,0,0|2,0,0]=4 23774 B13R1.555 OCCSCCc1ccccc1F 62a_100000211926_100011713696 [0,2,0,0,0,0|2,0,0]=4 23775 B13R1.555 OCCSCCc1ccccc1F 62a_100011713696_100000211926 [0,2,0,0,0,0|2,0,0]=4 23776 B13R1.555 OCCSCCc1ccccc1O 62a_100000211926_100000722297 [0,2,0,0,0,0|2,0,0]=4 23777 B13R1.555 OCCSCCc1ccccc1O 62a_100000722297_100000211926 [0,2,0,0,0,0|2,0,0]=4 23778 B13R1.555 Oc1ccccc1CCNCCF 34a_100000724931_100000722297 [0,2,0,0,0,0|2,0,0]=4 23779 B13R1.555 Oc1ccccc1CCNCCF 34a_100011207237_100011217306 [0,2,0,0,0,0|2,0,0]=4 23780 B13R1.555 Oc1ccccc1CCOCCBr 34a_100000211926_100000722297 [0,2,0,0,0,0|2,0,0]=4 23781 B13R1.555 Oc1ccccc1CCSCCF 62a_100000722297_100011217306 [0,2,0,0,0,0|2,0,0]=4 23782 B13R1.555 Oc1ccccc1CCSCCF 62a_100011217306_100000722297 [0,2,0,0,0,0|2,0,0]=4 23783 B13R1.555 Oc1ccccc1CNCCCF 34a_100000185550_100011934791 [0,2,0,0,0,0|2,0,0]=4 23784 B13R1.555 Oc1ccccc1NCCCCF 34a_100000185747_100000729493 [0,2,0,0,0,0|2,0,0]=4 23785 B13R1.555 Oc1ccccc1SCCCCF 62a_100000729493_100000739446 [0,2,0,0,0,0|2,0,0]=4 23786 B13R1.555 Oc1ccccc1SCCCCF 62a_100000739446_100000729493 [0,2,0,0,0,0|2,0,0]=4 23787 B13R1.555 Oc1cccnc1CNCCCF 34a_100015189416_200020655725 [0,2,0,0,0,0|1,0,0]=3 23788 B13R1.555 Oc1cccnc1COCCCBr 34a_100011217188_200020655725 [0,2,0,0,0,0|1,0,0]=3 23789 B13R1.555 Oc1cccnc1COCCCCl 34a_100000230001_200020655725 [0,2,0,0,0,0|1,0,0]=3 23790 B13R1.555 Oc1cccnc1COCCCF 34a_100000759539_200020655725 [0,2,0,0,0,0|1,0,0]=3 23791 B13R1.555 Oc1cccnc1CSCCCF 62a_100011934791_200020655725 [0,2,0,0,0,0|1,0,0]=3 23792 B13R1.555 Oc1cccnc1CSCCCF 62a_200020655725_100011934791 [0,2,0,0,0,0|1,0,0]=3 23793 B13R1.555 Oc1cccnc1SCCCCF 62a_100000034122_100000729493 [0,2,0,0,0,0|1,0,0]=3 23794 B13R1.555 Oc1cccnc1SCCCCF 62a_100000729493_100000034122 [0,2,0,0,0,0|1,0,0]=3 23795 B13R1.555 [13CH3]NCCCOc1ccccc1F 2230a_100000707858_200025704644 [0,2,0,0,0,0|2,0,0]=4 23796 B13R1.555 [13CH3]NCCCOc1ccccc1F 34a_100000707858_200025704644 [0,2,0,0,0,0|2,0,0]=4 23797 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 2230a_100000745786_200025704644 [0,2,0,0,0,0|2,0,0]=4 23798 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 34a_100000745786_200025704644 [0,2,0,0,0,0|2,0,0]=4 23799 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 2230a_100011219180_200025704644 [0,2,0,0,0,0|2,0,0]=4 23800 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 34a_100011219180_200025704644 [0,2,0,0,0,0|2,0,0]=4 23801 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 7a_100011219180_200025704644 [0,2,0,0,0,0|2,0,0]=4 23802 B13R1.555 [13CH3]OCCCCc1ccccc1Br 34a_100012092669_200025704644 [0,2,0,0,0,0|1,0,0]=3 23803 B13R1.555 [13CH3]OCCCCc1ccccc1Br 7a_100012092669_200025704644 [0,2,0,0,0,0|1,0,0]=3 23804 B13R1.555 [13CH3]OCCCOc1ccccc1Cl 34a_100000230521_200025704644 [0,2,0,0,0,0|2,0,0]=4 23805 B13R1.555 [13CH3]OCCCOc1ccccc1Cl 7a_100000230521_200025704644 [0,2,0,0,0,0|2,0,0]=4 23806 B13R1.555 [13CH3]OCCNCc1ccccc1Br 34a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 23807 B13R1.555 [13CH3]OCCNCc1ccccc1Cl 34a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 23808 B13R1.555 [13CH3]SCCCOc1ccccc1Br 62a_200011259276_200025704644 [0,2,0,0,0,0|2,0,0]=4 23809 B13R1.555 [13CH3]SCCCOc1ccccc1Br 62a_200025704644_200011259276 [0,2,0,0,0,0|2,0,0]=4 23810 B13R1.555 [13CH3]SCCCOc1ccccc1F 62a_100011203253_200025704644 [0,2,0,0,0,0|2,0,0]=4 23811 B13R1.555 [13CH3]SCCCOc1ccccc1F 62a_200025704644_100011203253 [0,2,0,0,0,0|2,0,0]=4 23812 B13R1.555 [13CH3]SCCCSc1ccccc1Cl 62a_100000750589_200025704644 [0,2,0,0,0,0|2,0,0]=4 23813 B13R1.555 [13CH3]SCCCSc1ccccc1Cl 62a_200025704644_100000750589 [0,2,0,0,0,0|2,0,0]=4 23814 B13R1.555 [O-][n+]1ccccc1OCCCCF 7a_100000211761_100000729493 [0,2,0,0,0,0|1,0,1]=4 23815 B13R1.555 [O-][n+]1ccccc1OCCCCO 7a_100000211761_100000210776 [0,2,0,0,0,0|1,0,1]=4 23816 B13R1.555 [O-][n+]1ccccc1SCCCCF 62a_100000729493_200000042595 [0,2,0,0,0,0|1,0,1]=4 23817 B13R1.555 [O-][n+]1ccccc1SCCCCO 62a_100000210776_200000042595 [0,2,0,0,0,0|1,0,1]=4 23818 B13R1.718 C#CC(C)NCCc1ccccc1 2230a_100000707721_100000765856 [0,2,0,0,0,0|2,0,0]=4 23819 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000106460_200000035995 [0,2,0,0,0,0|2,0,0]=4 23820 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000707721_100000765856 [0,2,0,0,0,0|2,0,0]=4 23821 B13R1.718 C#CC(C)NCCc1ccccn1 2230a_100000707721_100015183660 [0,2,0,0,0,0|1,0,0]=3 23822 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [0,2,0,0,0,0|2,0,0]=4 23823 B13R1.718 C#CC(C)OCCc1ccccn1 34a_100000210271_200000035995 [0,2,0,0,0,0|1,0,0]=3 23824 B13R1.718 C#CC(C)OCCc1cnccn1 34a_100011349526_200000035995 [0,2,0,0,0,0|2,0,0]=4 23825 B13R1.718 C#CC(C)SCCc1ccccc1 62a_200000035995_100011218657 [0,2,0,0,0,0|2,0,0]=4 23826 B13R1.718 C#CC(C)SCCc1ccccn1 62a_200000035995_100015183660 [0,2,0,0,0,0|1,0,0]=3 23827 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [0,2,0,0,0,0|2,0,0]=4 23828 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [0,2,0,0,0,0|2,0,0]=4 23829 B13R1.718 C#C[C@@H](C)OCCc1ccccn1 7a_100009815206_100015183660 [0,2,0,0,0,0|1,0,0]=3 23830 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [0,2,0,0,0,0|2,0,0]=4 23831 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [0,2,0,0,0,0|2,0,0]=4 23832 B13R1.718 C=CC(C)COCc1ccccn1 34a_100011215527_100000721315 [0,2,0,0,0,0|1,0,0]=3 23833 B13R1.718 C=CC(C)COCc1ccccn1 7a_100011215527_100000721315 [0,2,0,0,0,0|1,0,0]=3 23834 B13R1.718 C=CC(C)COCc1cccnn1 34a_100011215527_100016990269 [0,2,0,0,0,0|2,0,0]=4 23835 B13R1.718 C=CC(C)COCc1cccnn1 7a_100011215527_100016990269 [0,2,0,0,0,0|2,0,0]=4 23836 B13R1.718 C=CC(C)COCc1cnccn1 34a_100011215527_100016995436 [0,2,0,0,0,0|2,0,0]=4 23837 B13R1.718 C=CC(C)COCc1cnccn1 7a_100011215527_100016995436 [0,2,0,0,0,0|2,0,0]=4 23838 B13R1.718 C=CC(C)COCc1ncccn1 34a_100011215527_100000703007 [0,2,0,0,0,0|2,0,0]=4 23839 B13R1.718 C=CC(C)COCc1ncccn1 7a_100011215527_100000703007 [0,2,0,0,0,0|2,0,0]=4 23840 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [0,2,0,0,0,0|2,0,0]=4 23841 B13R1.718 C=CC(C)SCCc1ccccc1 62a_100011215867_100011218657 [0,2,0,0,0,0|2,0,0]=4 23842 B13R1.718 C=CC(C)SCCc1ccccn1 62a_100011215867_100015183660 [0,2,0,0,0,0|1,0,0]=3 23843 B13R1.718 C=CC(O)CSCc1ccccn1 62a_100000721315_100000730141 [0,2,0,0,0,0|0,0,2]=4 23844 B13R1.718 C=CC(O)CSCc1ccccn1 62a_100000730141_100000721315 [0,2,0,0,0,0|0,0,2]=4 23845 B13R1.718 C=C[C@H](N)COCc1ccccn1 34a_100016989147_100000721315 [0,2,0,0,0,0|0,0,2]=4 23846 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000106460_100000184139 [0,2,0,0,0,0|2,0,0]=4 23847 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000737613_100000765856 [0,2,0,0,0,0|2,0,0]=4 23848 B13R1.718 CC(C#N)NCCc1ccccn1 2230a_100000737613_100015183660 [0,2,0,0,0,0|1,0,0]=3 23849 B13R1.718 CC(C#N)OCCc1ccccc1 34a_100011218135_100000765856 [0,2,0,0,0,0|2,0,0]=4 23850 B13R1.718 CC(C#N)OCCc1ccccc1 7a_100000210268_100000703298 [0,2,0,0,0,0|2,0,0]=4 23851 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000703298_100011218657 [0,2,0,0,0,0|2,0,0]=4 23852 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000765856_100000703298 [0,2,0,0,0,0|2,0,0]=4 23853 B13R1.718 CC(C#N)SCCc1ccccn1 62a_100000703298_100015183660 [0,2,0,0,0,0|1,0,0]=3 23854 B13R1.718 CC(C#N)SCCc1ccccn1 62a_100015183660_100000703298 [0,2,0,0,0,0|1,0,0]=3 23855 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,2,0,0,0,0|1,0,0]=3 23856 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,2,0,0,0,0|1,0,0]=3 23857 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [0,2,0,0,0,0|2,0,0]=4 23858 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [0,2,0,0,0,0|2,0,0]=4 23859 B13R1.718 CC(CF)OCCc1ccccn1 7a_100016041109_100015183660 [0,2,0,0,0,0|1,0,0]=3 23860 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,2,0,0,0,0|2,0,0]=4 23861 B13R1.718 CC(CN)COCc1ccccn1 34a_100000744482_100000721315 [0,2,0,0,0,0|1,0,0]=3 23862 B13R1.718 CC(CN)COCc1cccnn1 34a_100000744482_100016990269 [0,2,0,0,0,0|2,0,0]=4 23863 B13R1.718 CC(CN)COCc1cnccn1 34a_100000744482_100016995436 [0,2,0,0,0,0|2,0,0]=4 23864 B13R1.718 CC(CN)COCc1ncccn1 34a_100000744482_100000703007 [0,2,0,0,0,0|2,0,0]=4 23865 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,2,0,0,0,0|2,0,0]=4 23866 B13R1.718 CC(CO)CCNc1cccnn1 27a_106354213184_100016991348 [0,2,0,0,0,0|2,0,0]=4 23867 B13R1.718 CC(CO)CCNc1ccncn1 27a_106354213184_100000703185 [0,2,0,0,0,0|2,0,0]=4 23868 B13R1.718 CC(CO)CCNc1cnccn1 27a_106354213184_100000211759 [0,2,0,0,0,0|2,0,0]=4 23869 B13R1.718 CC(CO)CCNc1ncccn1 27a_106354213184_100000211032 [0,2,0,0,0,0|2,0,0]=4 23870 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,2,0,0,0,0|2,0,0]=4 23871 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,2,0,0,0,0|2,0,0]=4 23872 B13R1.718 CC(CO)CNCc1ccccn1 207a_100000744482_100000209966 [0,2,0,0,0,0|1,0,0]=3 23873 B13R1.718 CC(CO)CNCc1ccccn1 34a_100000744482_100000721315 [0,2,0,0,0,0|1,0,0]=3 23874 B13R1.718 CC(CO)CNCc1cccnn1 34a_100000744482_100016990269 [0,2,0,0,0,0|2,0,0]=4 23875 B13R1.718 CC(CO)CNCc1cnccn1 34a_100000744482_100016995436 [0,2,0,0,0,0|2,0,0]=4 23876 B13R1.718 CC(CO)CNCc1ncccn1 34a_100000744482_100000703007 [0,2,0,0,0,0|2,0,0]=4 23877 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,2,0,0,0,0|2,0,0]=4 23878 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,2,0,0,0,0|2,0,0]=4 23879 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,2,0,0,0,0|2,0,0]=4 23880 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,2,0,0,0,0|2,0,0]=4 23881 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [0,2,0,0,0,0|1,0,0]=3 23882 B13R1.718 CC(CO)OCCc1cnccn1 34a_100011349526_100012180447 [0,2,0,0,0,0|2,0,0]=4 23883 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,2,0,0,0,0|2,0,0]=4 23884 B13R1.718 CC(CO)SCCc1ccccn1 62a_100012180447_100015183660 [0,2,0,0,0,0|1,0,0]=3 23885 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,2,0,0,0,0|2,0,0]=4 23886 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,2,0,0,0,0|2,0,0]=4 23887 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,2,0,0,0,0|1,0,0]=3 23888 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,2,0,0,0,0|1,0,0]=3 23889 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,2,0,0,0,0|0,0,0]=2 23890 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,2,0,0,0,0|2,0,0]=4 23891 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,2,0,0,0,0|1,0,1]=4 23892 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,2,0,0,0,0|1,0,1]=4 23893 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,2,0,0,0,0|1,0,1]=4 23894 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,2,0,0,0,0|1,0,1]=4 23895 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,2,0,0,0,0|1,0,1]=4 23896 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,2,0,0,0,0|1,0,1]=4 23897 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,2,0,0,0,0|1,0,1]=4 23898 B13R1.718 CCC(=O)COCc1ccccn1 34a_100000725409_100000721315 [0,2,0,0,0,0|0,0,1]=3 23899 B13R1.718 CCC(=O)COCc1cccnn1 34a_100000725409_100016990269 [0,2,0,0,0,0|1,0,1]=4 23900 B13R1.718 CCC(=O)COCc1cnccn1 34a_100000725409_100016995436 [0,2,0,0,0,0|1,0,1]=4 23901 B13R1.718 CCC(=O)COCc1ncccn1 34a_100000725409_100000703007 [0,2,0,0,0,0|1,0,1]=4 23902 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,2,0,0,0,0|1,0,1]=4 23903 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,2,0,0,0,0|1,0,1]=4 23904 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,2,0,0,0,0|1,0,1]=4 23905 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,2,0,0,0,0|1,0,1]=4 23906 B13R1.718 CCC(=O)CSCc1ccccn1 1458a_100000742634_100000210202 [0,2,0,0,0,0|0,0,1]=3 23907 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000721315_100000747405 [0,2,0,0,0,0|0,0,1]=3 23908 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000747405_100000721315 [0,2,0,0,0,0|0,0,1]=3 23909 B13R1.718 CCC(=O)CSCc1cccnn1 62a_100000747405_100016990269 [0,2,0,0,0,0|1,0,1]=4 23910 B13R1.718 CCC(=O)CSCc1cccnn1 62a_100016990269_100000747405 [0,2,0,0,0,0|1,0,1]=4 23911 B13R1.718 CCC(=O)CSCc1cnccn1 62a_100000747405_100016995436 [0,2,0,0,0,0|1,0,1]=4 23912 B13R1.718 CCC(=O)CSCc1cnccn1 62a_100016995436_100000747405 [0,2,0,0,0,0|1,0,1]=4 23913 B13R1.718 CCC(=O)CSCc1ncccn1 62a_100000703007_100000747405 [0,2,0,0,0,0|1,0,1]=4 23914 B13R1.718 CCC(=O)CSCc1ncccn1 62a_100000747405_100000703007 [0,2,0,0,0,0|1,0,1]=4 23915 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,2,0,0,0,0|1,0,1]=4 23916 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,2,0,0,0,0|1,0,1]=4 23917 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,2,0,0,0,0|1,0,1]=4 23918 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,2,0,0,0,0|1,0,1]=4 23919 B13R1.718 CCC(=O)NCCc1ccccn1 11a_100000211156_100000210414 [0,2,0,0,0,0|0,0,1]=3 23920 B13R1.718 CCC(=O)NCCc1ccccn1 1626a_100000211156_100000210414 [0,2,0,0,0,0|0,0,1]=3 23921 B13R1.718 CCC(=O)NCCc1ccccn1 240690a_100000211156_100000210414 [0,2,0,0,0,0|0,0,1]=3 23922 B13R1.718 CCC(=O)NCCc1ccccn1 527a_100000211156_100000210414 [0,2,0,0,0,0|0,0,1]=3 23923 B13R1.718 CCC(=O)NCCc1cnccn1 11a_100000723456_100000210414 [0,2,0,0,0,0|1,0,1]=4 23924 B13R1.718 CCC(=O)NCCc1cnccn1 1626a_100000723456_100000210414 [0,2,0,0,0,0|1,0,1]=4 23925 B13R1.718 CCC(=O)NCCc1cnccn1 240690a_100000723456_100000210414 [0,2,0,0,0,0|1,0,1]=4 23926 B13R1.718 CCC(=O)NCCc1cnccn1 527a_100000723456_100000210414 [0,2,0,0,0,0|1,0,1]=4 23927 B13R1.718 CCC(=O)NNCc1ccccn1 22a_100000736832_100000210414 [0,2,0,0,0,0|1,0,1]=4 23928 B13R1.718 CCC(C)C=NNc1ccccn1 4a_100000183288_100000243153 [0,2,0,0,0,0|1,0,1]=4 23929 B13R1.718 CCC(C)CCNc1cccnn1 27a_100020591266_100016991348 [0,2,0,0,0,0|1,0,0]=3 23930 B13R1.718 CCC(C)CCNc1ccncn1 27a_100020591266_100000703185 [0,2,0,0,0,0|1,0,0]=3 23931 B13R1.718 CCC(C)CCNc1cnccn1 27a_100020591266_100000211759 [0,2,0,0,0,0|1,0,0]=3 23932 B13R1.718 CCC(C)CCNc1ncccn1 27a_100020591266_100000211032 [0,2,0,0,0,0|1,0,0]=3 23933 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,2,0,0,0,0|1,0,0]=3 23934 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,2,0,0,0,0|1,0,0]=3 23935 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,2,0,0,0,0|1,0,0]=3 23936 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,2,0,0,0,0|1,0,0]=3 23937 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,2,0,0,0,0|1,0,0]=3 23938 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,2,0,0,0,0|1,0,0]=3 23939 B13R1.718 CCC(C)CNCc1ccccn1 207a_100020588543_100000209966 [0,2,0,0,0,0|0,0,0]=2 23940 B13R1.718 CCC(C)CNCc1ccccn1 2230a_100020588543_100000721315 [0,2,0,0,0,0|0,0,0]=2 23941 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100000210449_100000243153 [0,2,0,0,0,0|0,0,0]=2 23942 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100020588543_100000209966 [0,2,0,0,0,0|0,0,0]=2 23943 B13R1.718 CCC(C)CNCc1cccnc1 207a_100020588543_100000209961 [0,2,0,0,0,0|2,0,0]=4 23944 B13R1.718 CCC(C)CNCc1cccnc1 2230a_100020588543_100000741622 [0,2,0,0,0,0|2,0,0]=4 23945 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100000210453_100000243153 [0,2,0,0,0,0|2,0,0]=4 23946 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100020588543_100000209961 [0,2,0,0,0,0|2,0,0]=4 23947 B13R1.718 CCC(C)CNCc1cccnn1 2230a_100020588543_100016990269 [0,2,0,0,0,0|1,0,0]=3 23948 B13R1.718 CCC(C)CNCc1cccnn1 2230a_100159270163_100000748023 [0,2,0,0,0,0|1,0,0]=3 23949 B13R1.718 CCC(C)CNCc1ccncc1 207a_100020588543_100000186114 [0,2,0,0,0,0|2,0,0]=4 23950 B13R1.718 CCC(C)CNCc1ccncc1 2230a_100020588543_100015193705 [0,2,0,0,0,0|2,0,0]=4 23951 B13R1.718 CCC(C)CNCc1cnccn1 2230a_100020588543_100016995436 [0,2,0,0,0,0|1,0,0]=3 23952 B13R1.718 CCC(C)CNCc1cnccn1 270004a_100020588543_100000749867 [0,2,0,0,0,0|1,0,0]=3 23953 B13R1.718 CCC(C)CNCc1ncccn1 2230a_100020588543_100000703007 [0,2,0,0,0,0|1,0,0]=3 23954 B13R1.718 CCC(C)CNCc1ncccn1 270004a_100020588543_100011532527 [0,2,0,0,0,0|1,0,0]=3 23955 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,2,0,0,0,0|1,0,0]=3 23956 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,2,0,0,0,0|1,0,0]=3 23957 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,2,0,0,0,0|1,0,0]=3 23958 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,2,0,0,0,0|1,0,0]=3 23959 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000721315_100000748023 [0,2,0,0,0,0|0,0,0]=2 23960 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000748023_100000721315 [0,2,0,0,0,0|0,0,0]=2 23961 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000741622_100000748023 [0,2,0,0,0,0|2,0,0]=4 23962 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000748023_100000741622 [0,2,0,0,0,0|2,0,0]=4 23963 B13R1.718 CCC(C)CSCc1cccnn1 62a_100000748023_100016990269 [0,2,0,0,0,0|1,0,0]=3 23964 B13R1.718 CCC(C)CSCc1cccnn1 62a_100016990269_100000748023 [0,2,0,0,0,0|1,0,0]=3 23965 B13R1.718 CCC(C)CSCc1ccncc1 62a_100000748023_100015193705 [0,2,0,0,0,0|2,0,0]=4 23966 B13R1.718 CCC(C)CSCc1ccncc1 62a_100015193705_100000748023 [0,2,0,0,0,0|2,0,0]=4 23967 B13R1.718 CCC(C)CSCc1cnccn1 62a_100000748023_100016995436 [0,2,0,0,0,0|1,0,0]=3 23968 B13R1.718 CCC(C)CSCc1cnccn1 62a_100016995436_100000748023 [0,2,0,0,0,0|1,0,0]=3 23969 B13R1.718 CCC(C)CSCc1ncccn1 62a_100000703007_100000748023 [0,2,0,0,0,0|1,0,0]=3 23970 B13R1.718 CCC(C)CSCc1ncccn1 62a_100000748023_100000703007 [0,2,0,0,0,0|1,0,0]=3 23971 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,2,0,0,0,0|1,0,0]=3 23972 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,2,0,0,0,0|1,0,0]=3 23973 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,2,0,0,0,0|1,0,0]=3 23974 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [0,2,0,0,0,0|0,0,0]=2 23975 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [0,2,0,0,0,0|2,0,0]=4 23976 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [0,2,0,0,0,0|2,0,0]=4 23977 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [0,2,0,0,0,0|2,0,0]=4 23978 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [0,2,0,0,0,0|2,0,0]=4 23979 B13R1.718 CCC(C)NN=Cc1ccccn1 4a_100000718999_100000209966 [0,2,0,0,0,0|1,0,1]=4 23980 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,2,0,0,0,0|1,0,0]=3 23981 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,2,0,0,0,0|1,0,0]=3 23982 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,2,0,0,0,0|1,0,0]=3 23983 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [0,2,0,0,0,0|0,0,0]=2 23984 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [0,2,0,0,0,0|0,0,0]=2 23985 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [0,2,0,0,0,0|2,0,0]=4 23986 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [0,2,0,0,0,0|2,0,0]=4 23987 B13R1.718 CCC(C)OCCc1ccncc1 34a_100011216225_100011215416 [0,2,0,0,0,0|2,0,0]=4 23988 B13R1.718 CCC(C)OCCc1ccncc1 7a_100000210228_100000723409 [0,2,0,0,0,0|2,0,0]=4 23989 B13R1.718 CCC(C)OCCc1cnccn1 34a_100011349526_100011215416 [0,2,0,0,0,0|1,0,0]=3 23990 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,2,0,0,0,0|1,0,0]=3 23991 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,2,0,0,0,0|1,0,0]=3 23992 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [0,2,0,0,0,0|0,0,0]=2 23993 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [0,2,0,0,0,0|0,0,0]=2 23994 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [0,2,0,0,0,0|2,0,0]=4 23995 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [0,2,0,0,0,0|2,0,0]=4 23996 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000723409_100000758301 [0,2,0,0,0,0|2,0,0]=4 23997 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000758301_100000723409 [0,2,0,0,0,0|2,0,0]=4 23998 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [0,2,0,0,0,0|2,0,0]=4 23999 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [0,2,0,0,0,0|2,0,0]=4 24000 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,2,0,0,0,0|1,0,0]=3 24001 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,2,0,0,0,0|1,0,0]=3 24002 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,2,0,0,0,0|1,0,0]=3 24003 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,2,0,0,0,0|1,0,0]=3 24004 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,2,0,0,0,0|1,0,0]=3 24005 B13R1.718 CCC(O)CNCc1ccccn1 207a_100011218483_100000209966 [0,2,0,0,0,0|0,0,0]=2 24006 B13R1.718 CCC(O)CNCc1ccccn1 2230a_100011218483_100000721315 [0,2,0,0,0,0|0,0,0]=2 24007 B13R1.718 CCC(O)CNCc1ccccn1 270004a_100011218483_100000209966 [0,2,0,0,0,0|0,0,0]=2 24008 B13R1.718 CCC(O)CNCc1cccnc1 207a_100011218483_100000209961 [0,2,0,0,0,0|2,0,0]=4 24009 B13R1.718 CCC(O)CNCc1cccnc1 2230a_100011218483_100000741622 [0,2,0,0,0,0|2,0,0]=4 24010 B13R1.718 CCC(O)CNCc1cccnc1 270004a_100011218483_100000209961 [0,2,0,0,0,0|2,0,0]=4 24011 B13R1.718 CCC(O)CNCc1cccnn1 2230a_100011218483_100016990269 [0,2,0,0,0,0|1,0,0]=3 24012 B13R1.718 CCC(O)CNCc1cccnn1 2230a_100159270163_100011218378 [0,2,0,0,0,0|1,0,0]=3 24013 B13R1.718 CCC(O)CNCc1ccncc1 207a_100011218483_100000186114 [0,2,0,0,0,0|2,0,0]=4 24014 B13R1.718 CCC(O)CNCc1ccncc1 2230a_100011218483_100015193705 [0,2,0,0,0,0|2,0,0]=4 24015 B13R1.718 CCC(O)CNCc1cnccn1 2230a_100011218483_100016995436 [0,2,0,0,0,0|1,0,0]=3 24016 B13R1.718 CCC(O)CNCc1cnccn1 270004a_100011218483_100000749867 [0,2,0,0,0,0|1,0,0]=3 24017 B13R1.718 CCC(O)CNCc1ncccn1 2230a_100011218483_100000703007 [0,2,0,0,0,0|1,0,0]=3 24018 B13R1.718 CCC(O)CNCc1ncccn1 270004a_100011218483_100011532527 [0,2,0,0,0,0|1,0,0]=3 24019 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,2,0,0,0,0|1,0,0]=3 24020 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,2,0,0,0,0|1,0,0]=3 24021 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,2,0,0,0,0|1,0,0]=3 24022 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,2,0,0,0,0|1,0,0]=3 24023 B13R1.718 CCC(O)CSCc1ccccn1 62a_100000721315_100011218378 [0,2,0,0,0,0|0,0,0]=2 24024 B13R1.718 CCC(O)CSCc1ccccn1 62a_100011218378_100000721315 [0,2,0,0,0,0|0,0,0]=2 24025 B13R1.718 CCC(O)CSCc1cccnc1 62a_100000741622_100011218378 [0,2,0,0,0,0|2,0,0]=4 24026 B13R1.718 CCC(O)CSCc1cccnc1 62a_100011218378_100000741622 [0,2,0,0,0,0|2,0,0]=4 24027 B13R1.718 CCC(O)CSCc1cccnn1 62a_100011218378_100016990269 [0,2,0,0,0,0|1,0,0]=3 24028 B13R1.718 CCC(O)CSCc1cccnn1 62a_100016990269_100011218378 [0,2,0,0,0,0|1,0,0]=3 24029 B13R1.718 CCC(O)CSCc1ccncc1 62a_100011218378_100015193705 [0,2,0,0,0,0|2,0,0]=4 24030 B13R1.718 CCC(O)CSCc1ccncc1 62a_100015193705_100011218378 [0,2,0,0,0,0|2,0,0]=4 24031 B13R1.718 CCC(O)CSCc1cnccn1 62a_100011218378_100016995436 [0,2,0,0,0,0|1,0,0]=3 24032 B13R1.718 CCC(O)CSCc1cnccn1 62a_100016995436_100011218378 [0,2,0,0,0,0|1,0,0]=3 24033 B13R1.718 CCC(O)CSCc1ncccn1 62a_100000703007_100011218378 [0,2,0,0,0,0|1,0,0]=3 24034 B13R1.718 CCC(O)CSCc1ncccn1 62a_100011218378_100000703007 [0,2,0,0,0,0|1,0,0]=3 24035 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,2,0,0,0,0|1,0,0]=3 24036 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,2,0,0,0,0|1,0,0]=3 24037 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,2,0,0,0,0|1,0,0]=3 24038 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,2,0,0,0,0|1,0,0]=3 24039 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [0,2,0,0,0,0|2,0,0]=4 24040 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [0,2,0,0,0,0|2,0,0]=4 24041 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [0,2,0,0,0,0|2,0,0]=4 24042 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [0,2,0,0,0,0|2,0,0]=4 24043 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [0,2,0,0,0,0|2,0,0]=4 24044 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [0,2,0,0,0,0|2,0,0]=4 24045 B13R1.718 CCN(C)CCSc1ccccc1 2230a_100000225621_100000246102 [0,2,0,0,0,0|2,0,0]=4 24046 B13R1.718 CCN(C)CCSc1ccccc1 269982a_100000225621_100000246102 [0,2,0,0,0,0|2,0,0]=4 24047 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [0,2,0,0,0,0|2,0,0]=4 24048 B13R1.718 CCN(C)CSCc1ccccc1 2230a_100000225621_200011217039 [0,2,0,0,0,0|2,0,0]=4 24049 B13R1.718 CCN(C)CSCc1ccccc1 269982a_100000225621_200011217039 [0,2,0,0,0,0|2,0,0]=4 24050 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [0,2,0,0,0,0|2,0,0]=4 24051 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [0,2,0,0,0,0|2,0,0]=4 24052 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,2,0,0,0,0|1,0,0]=3 24053 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,2,0,0,0,0|1,0,0]=3 24054 B13R1.718 CC[C@H](C)CNCc1cccnn1 2230a_100159270163_100009816398 [0,2,0,0,0,0|1,0,0]=3 24055 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,2,0,0,0,0|1,0,0]=3 24056 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,2,0,0,0,0|1,0,0]=3 24057 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,2,0,0,0,0|1,0,0]=3 24058 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,2,0,0,0,0|0,0,0]=2 24059 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,2,0,0,0,0|2,0,0]=4 24060 B13R1.718 CC[C@H](C)COCc1cccnn1 7a_100009816381_100016990269 [0,2,0,0,0,0|1,0,0]=3 24061 B13R1.718 CC[C@H](C)COCc1ccncc1 7a_100009816381_100015193705 [0,2,0,0,0,0|2,0,0]=4 24062 B13R1.718 CC[C@H](C)COCc1cnccn1 7a_100009816381_100016995436 [0,2,0,0,0,0|1,0,0]=3 24063 B13R1.718 CC[C@H](C)COCc1ncccn1 7a_100009816381_100000703007 [0,2,0,0,0,0|1,0,0]=3 24064 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,2,0,0,0,0|1,0,0]=3 24065 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,2,0,0,0,0|1,0,0]=3 24066 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100000721315_100009816398 [0,2,0,0,0,0|0,0,0]=2 24067 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100009816398_100000721315 [0,2,0,0,0,0|0,0,0]=2 24068 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100000741622_100009816398 [0,2,0,0,0,0|2,0,0]=4 24069 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100009816398_100000741622 [0,2,0,0,0,0|2,0,0]=4 24070 B13R1.718 CC[C@H](C)CSCc1cccnn1 62a_100009816398_100016990269 [0,2,0,0,0,0|1,0,0]=3 24071 B13R1.718 CC[C@H](C)CSCc1cccnn1 62a_100016990269_100009816398 [0,2,0,0,0,0|1,0,0]=3 24072 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100009816398_100015193705 [0,2,0,0,0,0|2,0,0]=4 24073 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100015193705_100009816398 [0,2,0,0,0,0|2,0,0]=4 24074 B13R1.718 CC[C@H](C)CSCc1cnccn1 62a_100009816398_100016995436 [0,2,0,0,0,0|1,0,0]=3 24075 B13R1.718 CC[C@H](C)CSCc1cnccn1 62a_100016995436_100009816398 [0,2,0,0,0,0|1,0,0]=3 24076 B13R1.718 CC[C@H](C)CSCc1ncccn1 62a_100000703007_100009816398 [0,2,0,0,0,0|1,0,0]=3 24077 B13R1.718 CC[C@H](C)CSCc1ncccn1 62a_100009816398_100000703007 [0,2,0,0,0,0|1,0,0]=3 24078 B13R1.718 CN(CF)CCCc1ccccc1 269982a_100000693637_100015361967 [0,2,0,0,0,0|2,0,0]=4 24079 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,2,0,0,0,0|1,0,1]=4 24080 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,2,0,0,0,0|1,0,1]=4 24081 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,2,0,0,0,0|1,0,1]=4 24082 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,2,0,0,0,0|1,0,1]=4 24083 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [0,2,0,0,0,0|0,0,1]=3 24084 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [0,2,0,0,0,0|0,0,1]=3 24085 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [0,2,0,0,0,0|0,0,1]=3 24086 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [0,2,0,0,0,0|0,0,1]=3 24087 B13R1.718 CNC(=O)CCSc1ccccn1 62a_100000737683_100011216584 [0,2,0,0,0,0|1,0,1]=4 24088 B13R1.718 CNC(=O)CCSc1ccccn1 62a_100011216584_100000737683 [0,2,0,0,0,0|1,0,1]=4 24089 B13R1.718 CNC(=O)CNCc1ccccn1 207a_100000693194_100000209966 [0,2,0,0,0,0|1,0,1]=4 24090 B13R1.718 CNC(=O)CNCc1ccccn1 2230a_100000693194_100000721315 [0,2,0,0,0,0|1,0,1]=4 24091 B13R1.718 CNC(=O)CNCc1ccccn1 270004a_100000693194_100000209966 [0,2,0,0,0,0|1,0,1]=4 24092 B13R1.718 CNC(=O)COCc1ccccn1 34a_100000750040_100000721315 [0,2,0,0,0,0|1,0,1]=4 24093 B13R1.718 CNC(=O)CSCc1ccccn1 11a_106832991635_100000742634 [0,2,0,0,0,0|1,0,1]=4 24094 B13R1.718 CNC(=O)CSCc1ccccn1 1626a_100102657272_100000742634 [0,2,0,0,0,0|1,0,1]=4 24095 B13R1.718 CNC(=O)CSCc1ccccn1 240690a_100102657272_100000742634 [0,2,0,0,0,0|1,0,1]=4 24096 B13R1.718 CNC(=O)CSCc1ccccn1 527a_100102657272_100000742634 [0,2,0,0,0,0|1,0,1]=4 24097 B13R1.718 CNC(=O)CSCc1ccccn1 62a_100000183359_100000721315 [0,2,0,0,0,0|1,0,1]=4 24098 B13R1.718 CNC(=O)CSCc1ccccn1 62a_100000721315_100000183359 [0,2,0,0,0,0|1,0,1]=4 24099 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100000211156_106832991635 [0,2,0,0,0,0|1,0,1]=4 24100 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100102657272_100000211156 [0,2,0,0,0,0|1,0,1]=4 24101 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100000211156_100102657272 [0,2,0,0,0,0|1,0,1]=4 24102 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100102657272_100000211156 [0,2,0,0,0,0|1,0,1]=4 24103 B13R1.718 CNC(=O)NCCc1ccccn1 512a_106832991638_100000211156 [0,2,0,0,0,0|1,0,1]=4 24104 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,2,0,0,0,0|1,0,0]=3 24105 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,2,0,0,0,0|1,0,0]=3 24106 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,2,0,0,0,0|1,0,0]=3 24107 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,2,0,0,0,0|2,0,0]=4 24108 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [0,2,0,0,0,0|2,0,0]=4 24109 B13R1.718 COC(=O)CCSc1ccccn1 62a_100000204255_100011216584 [0,2,0,0,0,0|1,0,1]=4 24110 B13R1.718 COC(=O)CCSc1ccccn1 62a_100011216584_100000204255 [0,2,0,0,0,0|1,0,1]=4 24111 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [0,2,0,0,0,0|1,0,1]=4 24112 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [0,2,0,0,0,0|1,0,1]=4 24113 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,2,0,0,0,0|1,0,0]=3 24114 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,2,0,0,0,0|2,0,0]=4 24115 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,2,0,0,0,0|2,0,0]=4 24116 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,2,0,0,0,0|2,0,0]=4 24117 B13R1.718 COC(C)COCc1ccccn1 34a_100000690652_100000721315 [0,2,0,0,0,0|1,0,0]=3 24118 B13R1.718 COC(C)COCc1cccnn1 34a_100000690652_100016990269 [0,2,0,0,0,0|2,0,0]=4 24119 B13R1.718 COC(C)COCc1cnccn1 34a_100000690652_100016995436 [0,2,0,0,0,0|2,0,0]=4 24120 B13R1.718 COC(C)COCc1ncccn1 34a_100000690652_100000703007 [0,2,0,0,0,0|2,0,0]=4 24121 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,2,0,0,0,0|2,0,0]=4 24122 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,2,0,0,0,0|2,0,0]=4 24123 B13R1.718 COC(C)SCCc1ccccn1 62a_100009879195_100015183660 [0,2,0,0,0,0|1,0,0]=3 24124 B13R1.718 COC(C)SCCc1ccccn1 62a_100015183660_100009879195 [0,2,0,0,0,0|1,0,0]=3 24125 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,2,0,0,0,0|2,0,0]=4 24126 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,2,0,0,0,0|2,0,0]=4 24127 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,2,0,0,0,0|2,0,0]=4 24128 B13R1.718 CO[C@H](C)CNCc1ccccn1 207a_100020591295_100000209966 [0,2,0,0,0,0|1,0,0]=3 24129 B13R1.718 CO[C@H](C)CNCc1ccccn1 2230a_100020591295_100000721315 [0,2,0,0,0,0|1,0,0]=3 24130 B13R1.718 CO[C@H](C)CNCc1ccccn1 270004a_100020591295_100000209966 [0,2,0,0,0,0|1,0,0]=3 24131 B13R1.718 CO[C@H](C)CNCc1cccnn1 2230a_100020591295_100016990269 [0,2,0,0,0,0|2,0,0]=4 24132 B13R1.718 CO[C@H](C)CNCc1cnccn1 2230a_100020591295_100016995436 [0,2,0,0,0,0|2,0,0]=4 24133 B13R1.718 CO[C@H](C)CNCc1cnccn1 270004a_100020591295_100000749867 [0,2,0,0,0,0|2,0,0]=4 24134 B13R1.718 CO[C@H](C)CNCc1ncccn1 2230a_100020591295_100000703007 [0,2,0,0,0,0|2,0,0]=4 24135 B13R1.718 CO[C@H](C)CNCc1ncccn1 270004a_100020591295_100011532527 [0,2,0,0,0,0|2,0,0]=4 24136 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,2,0,0,0,0|1,0,0]=3 24137 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,2,0,0,0,0|1,0,0]=3 24138 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,2,0,0,0,0|2,0,0]=4 24139 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,2,0,0,0,0|2,0,0]=4 24140 B13R1.718 C[C@@H](CO)CNCc1cccnn1 2230a_100159270163_100000059175 [0,2,0,0,0,0|2,0,0]=4 24141 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,2,0,0,0,0|2,0,0]=4 24142 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,2,0,0,0,0|2,0,0]=4 24143 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,2,0,0,0,0|2,0,0]=4 24144 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,2,0,0,0,0|2,0,0]=4 24145 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000059175_100000721315 [0,2,0,0,0,0|1,0,0]=3 24146 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000721315_100000059175 [0,2,0,0,0,0|1,0,0]=3 24147 B13R1.718 C[C@@H](CO)CSCc1cccnn1 62a_100000059175_100016990269 [0,2,0,0,0,0|2,0,0]=4 24148 B13R1.718 C[C@@H](CO)CSCc1cccnn1 62a_100016990269_100000059175 [0,2,0,0,0,0|2,0,0]=4 24149 B13R1.718 C[C@@H](CO)CSCc1cnccn1 62a_100000059175_100016995436 [0,2,0,0,0,0|2,0,0]=4 24150 B13R1.718 C[C@@H](CO)CSCc1cnccn1 62a_100016995436_100000059175 [0,2,0,0,0,0|2,0,0]=4 24151 B13R1.718 C[C@@H](CO)CSCc1ncccn1 62a_100000059175_100000703007 [0,2,0,0,0,0|2,0,0]=4 24152 B13R1.718 C[C@@H](CO)CSCc1ncccn1 62a_100000703007_100000059175 [0,2,0,0,0,0|2,0,0]=4 24153 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,2,0,0,0,0|2,0,0]=4 24154 B13R1.718 C[C@H](CO)NCCc1ccccn1 2230a_100000737577_100015183660 [0,2,0,0,0,0|1,0,0]=3 24155 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,2,0,0,0,0|2,0,0]=4 24156 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,2,0,0,0,0|2,0,0]=4 24157 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100015183660_100016084084 [0,2,0,0,0,0|1,0,0]=3 24158 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100016084084_100015183660 [0,2,0,0,0,0|1,0,0]=3 24159 B13R1.718 ClCC(Cl)COCc1ccccc1 34a_100000033668_100015291786 [0,2,0,0,0,0|2,0,0]=4 24160 B13R1.718 ClCC(Cl)COCc1ccccn1 34a_100000033668_100000721315 [0,2,0,0,0,0|1,0,0]=3 24161 B13R1.718 ClCC(Cl)COCc1cccnn1 34a_100000033668_100016990269 [0,2,0,0,0,0|2,0,0]=4 24162 B13R1.718 ClCC(Cl)COCc1cnccn1 34a_100000033668_100016995436 [0,2,0,0,0,0|2,0,0]=4 24163 B13R1.718 ClCC(Cl)COCc1ncccn1 34a_100000033668_100000703007 [0,2,0,0,0,0|2,0,0]=4 24164 B13R1.718 N#CC(F)SCCc1ccccn1 62a_100015183660_200000117898 [0,2,0,0,0,0|1,0,1]=4 24165 B13R1.718 N#CC(F)SCCc1ccccn1 62a_200000117898_100015183660 [0,2,0,0,0,0|1,0,1]=4 24166 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [0,2,0,0,0,0|2,0,0]=4 24167 B13R1.718 NC[C@@H](F)COCc1ccccn1 34a_100015665980_100000721315 [0,2,0,0,0,0|1,0,0]=3 24168 B13R1.718 NC[C@@H](F)COCc1cccnn1 34a_100015665980_100016990269 [0,2,0,0,0,0|2,0,0]=4 24169 B13R1.718 NC[C@@H](F)COCc1cnccn1 34a_100015665980_100016995436 [0,2,0,0,0,0|2,0,0]=4 24170 B13R1.718 NC[C@@H](F)COCc1ncccn1 34a_100015665980_100000703007 [0,2,0,0,0,0|2,0,0]=4 24171 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,2,0,0,0,0|1,0,1]=4 24172 B13R1.718 O=C(CF)CCCc1ccccn1 1458a_100000752327_100015361967 [0,2,0,0,0,0|0,0,1]=3 24173 B13R1.718 O=C(CF)CSCc1ccccn1 1458a_100000742634_100015361967 [0,2,0,0,0,0|1,0,1]=4 24174 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,2,0,0,0,0|1,0,1]=4 24175 B13R1.718 O=C(CO)NCCc1ccccn1 240690a_100000211156_100000210174 [0,2,0,0,0,0|1,0,1]=4 24176 B13R1.718 O=C(CO)NCCc1ccccn1 527a_100000211156_100000210174 [0,2,0,0,0,0|1,0,1]=4 24177 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,2,0,0,0,0|2,0,0]=4 24178 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,2,0,0,0,0|2,0,0]=4 24179 B13R1.718 OCC(O)CNCc1cccnn1 2230a_100159270163_100011219619 [0,2,0,0,0,0|2,0,0]=4 24180 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,2,0,0,0,0|2,0,0]=4 24181 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,2,0,0,0,0|2,0,0]=4 24182 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,2,0,0,0,0|2,0,0]=4 24183 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,2,0,0,0,0|2,0,0]=4 24184 B13R1.718 OCC(O)CSCc1ccccn1 62a_100000721315_100011219619 [0,2,0,0,0,0|1,0,0]=3 24185 B13R1.718 OCC(O)CSCc1ccccn1 62a_100011219619_100000721315 [0,2,0,0,0,0|1,0,0]=3 24186 B13R1.718 OCC(O)CSCc1cccnn1 62a_100011219619_100016990269 [0,2,0,0,0,0|2,0,0]=4 24187 B13R1.718 OCC(O)CSCc1cccnn1 62a_100016990269_100011219619 [0,2,0,0,0,0|2,0,0]=4 24188 B13R1.718 OCC(O)CSCc1cnccn1 62a_100011219619_100016995436 [0,2,0,0,0,0|2,0,0]=4 24189 B13R1.718 OCC(O)CSCc1cnccn1 62a_100016995436_100011219619 [0,2,0,0,0,0|2,0,0]=4 24190 B13R1.718 OCC(O)CSCc1ncccn1 62a_100000703007_100011219619 [0,2,0,0,0,0|2,0,0]=4 24191 B13R1.718 OCC(O)CSCc1ncccn1 62a_100011219619_100000703007 [0,2,0,0,0,0|2,0,0]=4 24192 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,2,0,0,0,0|2,0,0]=4 24193 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,2,0,0,0,0|2,0,0]=4 24194 B13R1.718 OC[C@@H](O)CNCc1ccccn1 207a_100020644852_100000209966 [0,2,0,0,0,0|1,0,0]=3 24195 B13R1.718 OC[C@@H](O)CNCc1ccccn1 2230a_100020644852_100000721315 [0,2,0,0,0,0|1,0,0]=3 24196 B13R1.718 OC[C@@H](O)CNCc1cccnn1 2230a_100020644852_100016990269 [0,2,0,0,0,0|2,0,0]=4 24197 B13R1.718 OC[C@@H](O)CNCc1cnccn1 2230a_100020644852_100016995436 [0,2,0,0,0,0|2,0,0]=4 24198 B13R1.718 OC[C@@H](O)CNCc1ncccn1 2230a_100020644852_100000703007 [0,2,0,0,0,0|2,0,0]=4 24199 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,2,0,0,0,0|2,0,0]=4 24200 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,2,0,0,0,0|2,0,0]=4 24201 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,2,0,0,0,0|2,0,0]=4 24202 B13R1.718 OC[C@H](F)CNCc1ccccn1 207a_100015665980_100000209966 [0,2,0,0,0,0|1,0,0]=3 24203 B13R1.718 OC[C@H](F)CNCc1ccccn1 270004a_100015665980_100000209966 [0,2,0,0,0,0|1,0,0]=3 24204 B13R1.718 OC[C@H](F)CNCc1ccccn1 34a_100015665980_100000721315 [0,2,0,0,0,0|1,0,0]=3 24205 B13R1.718 OC[C@H](F)CNCc1cccnn1 34a_100015665980_100016990269 [0,2,0,0,0,0|2,0,0]=4 24206 B13R1.718 OC[C@H](F)CNCc1cnccn1 270004a_100015665980_100000749867 [0,2,0,0,0,0|2,0,0]=4 24207 B13R1.718 OC[C@H](F)CNCc1cnccn1 34a_100015665980_100016995436 [0,2,0,0,0,0|2,0,0]=4 24208 B13R1.718 OC[C@H](F)CNCc1ncccn1 270004a_100015665980_100011532527 [0,2,0,0,0,0|2,0,0]=4 24209 B13R1.718 OC[C@H](F)CNCc1ncccn1 34a_100015665980_100000703007 [0,2,0,0,0,0|2,0,0]=4 24210 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,2,0,0,0,0|2,0,0]=4 24211 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,2,0,0,0,0|2,0,0]=4 24212 B13R1.718 OC[C@H](O)CNCc1cccnn1 2230a_100159270163_100009815848 [0,2,0,0,0,0|2,0,0]=4 24213 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,2,0,0,0,0|2,0,0]=4 24214 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,2,0,0,0,0|2,0,0]=4 24215 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,2,0,0,0,0|2,0,0]=4 24216 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,2,0,0,0,0|2,0,0]=4 24217 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100000721315_100009815848 [0,2,0,0,0,0|1,0,0]=3 24218 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100009815848_100000721315 [0,2,0,0,0,0|1,0,0]=3 24219 B13R1.718 OC[C@H](O)CSCc1cccnn1 62a_100009815848_100016990269 [0,2,0,0,0,0|2,0,0]=4 24220 B13R1.718 OC[C@H](O)CSCc1cccnn1 62a_100016990269_100009815848 [0,2,0,0,0,0|2,0,0]=4 24221 B13R1.718 OC[C@H](O)CSCc1cnccn1 62a_100009815848_100016995436 [0,2,0,0,0,0|2,0,0]=4 24222 B13R1.718 OC[C@H](O)CSCc1cnccn1 62a_100016995436_100009815848 [0,2,0,0,0,0|2,0,0]=4 24223 B13R1.718 OC[C@H](O)CSCc1ncccn1 62a_100000703007_100009815848 [0,2,0,0,0,0|2,0,0]=4 24224 B13R1.718 OC[C@H](O)CSCc1ncccn1 62a_100009815848_100000703007 [0,2,0,0,0,0|2,0,0]=4 24225 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,2,0,0,0,0|2,0,0]=4 24226 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,2,0,0,0,0|2,0,0]=4 24227 B13R1.718 O[C@@H](CF)CNCc1cccnn1 2230a_100159270163_100015614560 [0,2,0,0,0,0|2,0,0]=4 24228 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,2,0,0,0,0|2,0,0]=4 24229 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,2,0,0,0,0|2,0,0]=4 24230 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [0,2,0,0,0,0|2,0,0]=4 24231 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [0,2,0,0,0,0|2,0,0]=4 24232 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100000721315_100015614560 [0,2,0,0,0,0|1,0,0]=3 24233 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100015614560_100000721315 [0,2,0,0,0,0|1,0,0]=3 24234 B13R1.718 O[C@@H](CF)CSCc1cccnn1 62a_100015614560_100016990269 [0,2,0,0,0,0|2,0,0]=4 24235 B13R1.718 O[C@@H](CF)CSCc1cccnn1 62a_100016990269_100015614560 [0,2,0,0,0,0|2,0,0]=4 24236 B13R1.718 O[C@@H](CF)CSCc1cnccn1 62a_100015614560_100016995436 [0,2,0,0,0,0|2,0,0]=4 24237 B13R1.718 O[C@@H](CF)CSCc1cnccn1 62a_100016995436_100015614560 [0,2,0,0,0,0|2,0,0]=4 24238 B13R1.718 O[C@@H](CF)CSCc1ncccn1 62a_100000703007_100015614560 [0,2,0,0,0,0|2,0,0]=4 24239 B13R1.718 O[C@@H](CF)CSCc1ncccn1 62a_100015614560_100000703007 [0,2,0,0,0,0|2,0,0]=4 24240 B13R1.11 CC(CO)NC(C)c1ccccn1 2230a_100000181244_100012180447 [0,2,0,0,0,0|2,0,0]=4 24241 B13R1.11 CC(N[C@H](C)CF)c1ccccn1 269862a_100102880703_100000210467 [0,2,0,0,0,0|2,0,0]=4 24242 B13R1.11 CC(N[C@H](C)CO)c1ccccn1 269862a_100000737577_100000210467 [0,2,0,0,0,0|2,0,0]=4 24243 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [0,2,0,0,0,0|0,0,2]=4 24244 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,2,0,0,0,0|1,0,1]=4 24245 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,2,0,0,0,0|1,0,1]=4 24246 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,2,0,0,0,0|1,0,1]=4 24247 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,2,0,0,0,0|1,0,1]=4 24248 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,2,0,0,0,0|1,0,1]=4 24249 B13R1.11 CCC(=O)NC(C)c1ccccn1 11a_100000181244_100000210414 [0,2,0,0,0,0|1,0,1]=4 24250 B13R1.11 CCC(=O)NC(C)c1ccccn1 1626a_100000181244_100000210414 [0,2,0,0,0,0|1,0,1]=4 24251 B13R1.11 CCC(=O)NC(C)c1ccccn1 240690a_100000181244_100000210414 [0,2,0,0,0,0|1,0,1]=4 24252 B13R1.11 CCC(=O)NC(C)c1ccccn1 527a_100000181244_100000210414 [0,2,0,0,0,0|1,0,1]=4 24253 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,2,0,0,0,0|1,0,1]=4 24254 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 24255 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 24256 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 24257 B13R1.11 CCC(C)CN(C)c1cccnn1 27a_100000753921_100016991348 [0,2,0,0,0,0|2,0,0]=4 24258 B13R1.11 CCC(C)CN(C)c1ccncn1 27a_100000753921_100000703185 [0,2,0,0,0,0|2,0,0]=4 24259 B13R1.11 CCC(C)CN(C)c1cnccn1 27a_100000753921_100000211759 [0,2,0,0,0,0|2,0,0]=4 24260 B13R1.11 CCC(C)CN(C)c1ncccn1 27a_100000753921_100000211032 [0,2,0,0,0,0|2,0,0]=4 24261 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,2,0,0,0,0|2,0,0]=4 24262 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,2,0,0,0,0|2,0,0]=4 24263 B13R1.11 CCC(C)NC(C)c1ccccn1 2230a_100000181244_100000758301 [0,2,0,0,0,0|1,0,0]=3 24264 B13R1.11 CCC(C)NC(C)c1ccccn1 269862a_100000209981_100000210467 [0,2,0,0,0,0|1,0,0]=3 24265 B13R1.11 CCC(C)NC(C)c1cccnn1 269862a_100000209981_100009866853 [0,2,0,0,0,0|2,0,0]=4 24266 B13R1.11 CCC(C)NC(C)c1cnccn1 2230a_100000209981_200000703233 [0,2,0,0,0,0|2,0,0]=4 24267 B13R1.11 CCC(C)NC(C)c1cnccn1 269862a_100000209981_100000751083 [0,2,0,0,0,0|2,0,0]=4 24268 B13R1.11 CCC(C)NC(C)c1ncccn1 2230a_100020641698_100000758301 [0,2,0,0,0,0|2,0,0]=4 24269 B13R1.11 CCC(C)NC(C)c1ncccn1 270004a_100000209981_100011350828 [0,2,0,0,0,0|2,0,0]=4 24270 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,2,0,0,0,0|2,0,0]=4 24271 B13R1.11 CCC(C)N[C@H](C)c1cnccn1 2230a_100020589798_100000758301 [0,2,0,0,0,0|2,0,0]=4 24272 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,2,0,0,0,0|2,0,0]=4 24273 B13R1.11 CCC(C)OC(C)c1cnccn1 7a_100000210228_200000703233 [0,2,0,0,0,0|2,0,0]=4 24274 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,2,0,0,0,0|2,0,0]=4 24275 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,2,0,0,0,0|2,0,0]=4 24276 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,2,0,0,0,0|2,0,0]=4 24277 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,2,0,0,0,0|2,0,0]=4 24278 B13R1.11 CCC(C)SC(C)c1cnccn1 62a_100000758301_200000703233 [0,2,0,0,0,0|2,0,0]=4 24279 B13R1.11 CCC(C)SC(C)c1cnccn1 62a_200000703233_100000758301 [0,2,0,0,0,0|2,0,0]=4 24280 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,2,0,0,0,0|1,0,1]=4 24281 B13R1.11 CCC(O)CN(C)c1ccccc1 2230a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 24282 B13R1.11 CCC(O)CN(C)c1ccccc1 269982a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 24283 B13R1.11 CCC(O)CN(C)c1ccccc1 34a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 24284 B13R1.11 CCN(C)CC(=O)c1ccccn1 269982a_100000225621_100000027445 [0,2,0,0,0,0|1,0,1]=4 24285 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,2,0,0,0,0|2,0,0]=4 24286 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,2,0,0,0,0|2,0,0]=4 24287 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,2,0,0,0,0|2,0,0]=4 24288 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,2,0,0,0,0|2,0,0]=4 24289 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,2,0,0,0,0|2,0,0]=4 24290 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,2,0,0,0,0|2,0,0]=4 24291 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,2,0,0,0,0|1,0,1]=4 24292 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 24293 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 24294 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 24295 B13R1.15 CC(CF)OCc1cc(ccn1)Br 34a_100016041109_100010173614 [0,2,0,0,0,0|2,0,0]=4 24296 B13R1.15 CC(CF)OCc1cc(ccn1)Br 7a_100016041109_100010173614 [0,2,0,0,0,0|2,0,0]=4 24297 B13R1.15 CC(CF)OCc1cc(ccn1)Cl 34a_100016041109_100016988179 [0,2,0,0,0,0|2,0,0]=4 24298 B13R1.15 CC(CF)OCc1cc(ccn1)Cl 7a_100016041109_100016988179 [0,2,0,0,0,0|2,0,0]=4 24299 B13R1.15 CC(CF)OCc1cccc(n1)Br 34a_100016041109_100009889011 [0,2,0,0,0,0|2,0,0]=4 24300 B13R1.15 CC(CF)OCc1cccc(n1)Br 7a_100016041109_100009889011 [0,2,0,0,0,0|2,0,0]=4 24301 B13R1.15 CC(CF)OCc1cccc(n1)Cl 34a_100016041109_100000086093 [0,2,0,0,0,0|2,0,0]=4 24302 B13R1.15 CC(CF)OCc1cccc(n1)Cl 7a_100016041109_100000086093 [0,2,0,0,0,0|2,0,0]=4 24303 B13R1.15 CC(CF)OCc1cccc(n1)F 34a_100016041109_100009819644 [0,2,0,0,0,0|2,0,0]=4 24304 B13R1.15 CC(CF)OCc1cccc(n1)F 7a_100016041109_100009819644 [0,2,0,0,0,0|2,0,0]=4 24305 B13R1.15 CC(CN)OCc1cc(ccn1)Br 34a_100000210904_100010173614 [0,2,0,0,0,0|2,0,0]=4 24306 B13R1.15 CC(CN)OCc1cc(ccn1)Cl 34a_100000210904_100016988179 [0,2,0,0,0,0|2,0,0]=4 24307 B13R1.15 CC(CN)OCc1cccc(n1)Br 34a_100000210904_100009889011 [0,2,0,0,0,0|2,0,0]=4 24308 B13R1.15 CC(CN)OCc1cccc(n1)Cl 34a_100000210904_100000086093 [0,2,0,0,0,0|2,0,0]=4 24309 B13R1.15 CC(CN)OCc1cccc(n1)F 34a_100000210904_100009819644 [0,2,0,0,0,0|2,0,0]=4 24310 B13R1.15 CC(CO)CNc1cc(ccn1)F 27a_100000744482_100000764206 [0,2,0,0,0,0|2,0,0]=4 24311 B13R1.15 CC(CO)CNc1cccc(n1)F 27a_100000744482_100009815982 [0,2,0,0,0,0|2,0,0]=4 24312 B13R1.15 CC(CO)NCc1cccc(n1)Br 2230a_100016987751_100012180447 [0,2,0,0,0,0|2,0,0]=4 24313 B13R1.15 CC(CO)NCc1cccc(n1)Cl 2230a_100016990191_100012180447 [0,2,0,0,0,0|2,0,0]=4 24314 B13R1.15 CC(CO)NCc1cccc(n1)F 2230a_100015188798_100012180447 [0,2,0,0,0,0|2,0,0]=4 24315 B13R1.15 CC(CO)NCc1cccc(n1)F 34a_100015188798_100012180447 [0,2,0,0,0,0|2,0,0]=4 24316 B13R1.15 CC(CO)OCc1cc(ccn1)Cl 34a_100000748867_100012180447 [0,2,0,0,0,0|2,0,0]=4 24317 B13R1.15 CC(CO)OCc1cc(ccn1)N 34a_100000692640_100012180447 [0,2,0,0,0,0|2,0,0]=4 24318 B13R1.15 CC(CO)OCc1cccc(n1)Br 34a_100000694195_100012180447 [0,2,0,0,0,0|2,0,0]=4 24319 B13R1.15 CC(CO)OCc1cccc(n1)Cl 34a_100011998359_100012180447 [0,2,0,0,0,0|2,0,0]=4 24320 B13R1.15 CC(CO)OCc1cccc(n1)F 34a_100000086748_100012180447 [0,2,0,0,0,0|2,0,0]=4 24321 B13R1.15 CC(CO)SCc1cc(ccn1)Br 62a_100012180447_100010173614 [0,2,0,0,0,0|2,0,0]=4 24322 B13R1.15 CC(CO)SCc1cc(ccn1)Cl 62a_100012180447_100016988179 [0,2,0,0,0,0|2,0,0]=4 24323 B13R1.15 CC(CO)SCc1cccc(n1)Br 62a_100012180447_100009889011 [0,2,0,0,0,0|2,0,0]=4 24324 B13R1.15 CC(CO)SCc1cccc(n1)Cl 62a_100012180447_100000086093 [0,2,0,0,0,0|2,0,0]=4 24325 B13R1.15 CC(CO)SCc1cccc(n1)F 62a_100012180447_100009819644 [0,2,0,0,0,0|2,0,0]=4 24326 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [0,2,0,0,0,0|1,0,1]=4 24327 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [0,2,0,0,0,0|1,0,1]=4 24328 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [0,2,0,0,0,0|1,0,1]=4 24329 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [0,2,0,0,0,0|1,0,1]=4 24330 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [0,2,0,0,0,0|1,0,1]=4 24331 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [0,2,0,0,0,0|1,0,1]=4 24332 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [0,2,0,0,0,0|1,0,1]=4 24333 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [0,2,0,0,0,0|1,0,1]=4 24334 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [0,2,0,0,0,0|1,0,1]=4 24335 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [0,2,0,0,0,0|1,0,1]=4 24336 B13R1.15 CCC(=O)CSc1cc(ccn1)C 62a_100000747405_100000750283 [0,2,0,0,0,0|1,0,1]=4 24337 B13R1.15 CCC(=O)CSc1cc(ccn1)C 62a_100000750283_100000747405 [0,2,0,0,0,0|1,0,1]=4 24338 B13R1.15 CCC(=O)CSc1cc(ccn1)Cl 62a_100000747405_100010167805 [0,2,0,0,0,0|1,0,1]=4 24339 B13R1.15 CCC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000747405 [0,2,0,0,0,0|1,0,1]=4 24340 B13R1.15 CCC(=O)CSc1cc(ccn1)F 62a_100000747405_100000764206 [0,2,0,0,0,0|1,0,1]=4 24341 B13R1.15 CCC(=O)CSc1cc(ccn1)F 62a_100000764206_100000747405 [0,2,0,0,0,0|1,0,1]=4 24342 B13R1.15 CCC(=O)CSc1cc(ccn1)N 62a_100000747405_100009814236 [0,2,0,0,0,0|1,0,1]=4 24343 B13R1.15 CCC(=O)CSc1cc(ccn1)N 62a_100009814236_100000747405 [0,2,0,0,0,0|1,0,1]=4 24344 B13R1.15 CCC(=O)CSc1cc(ccn1)O 62a_100000747405_100000762945 [0,2,0,0,0,0|1,0,1]=4 24345 B13R1.15 CCC(=O)CSc1cccc(n1)Br 62a_100000684672_100000747405 [0,2,0,0,0,0|1,0,1]=4 24346 B13R1.15 CCC(=O)CSc1cccc(n1)Br 62a_100000747405_100000684672 [0,2,0,0,0,0|1,0,1]=4 24347 B13R1.15 CCC(=O)CSc1cccc(n1)C 62a_100000742759_100000747405 [0,2,0,0,0,0|1,0,1]=4 24348 B13R1.15 CCC(=O)CSc1cccc(n1)C 62a_100000747405_100000742759 [0,2,0,0,0,0|1,0,1]=4 24349 B13R1.15 CCC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000747405 [0,2,0,0,0,0|1,0,1]=4 24350 B13R1.15 CCC(=O)CSc1cccc(n1)Cl 62a_100000747405_100000051397 [0,2,0,0,0,0|1,0,1]=4 24351 B13R1.15 CCC(=O)CSc1cccc(n1)F 62a_100000747405_100009815982 [0,2,0,0,0,0|1,0,1]=4 24352 B13R1.15 CCC(=O)CSc1cccc(n1)F 62a_100009815982_100000747405 [0,2,0,0,0,0|1,0,1]=4 24353 B13R1.15 CCC(=O)CSc1cccc(n1)N 62a_100000740741_100000747405 [0,2,0,0,0,0|1,0,1]=4 24354 B13R1.15 CCC(=O)CSc1cccc(n1)N 62a_100000747405_100000740741 [0,2,0,0,0,0|1,0,1]=4 24355 B13R1.15 CCC(=O)NCc1cc(ccn1)Br 11a_100009818019_100000210414 [0,2,0,0,0,0|1,0,1]=4 24356 B13R1.15 CCC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100000210414 [0,2,0,0,0,0|1,0,1]=4 24357 B13R1.15 CCC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100000210414 [0,2,0,0,0,0|1,0,1]=4 24358 B13R1.15 CCC(=O)NCc1cc(ccn1)Br 527a_100009818019_100000210414 [0,2,0,0,0,0|1,0,1]=4 24359 B13R1.15 CCC(=O)NCc1cc(ccn1)C 11a_100011934573_100000210414 [0,2,0,0,0,0|1,0,1]=4 24360 B13R1.15 CCC(=O)NCc1cc(ccn1)C 1626a_100011934573_100000210414 [0,2,0,0,0,0|1,0,1]=4 24361 B13R1.15 CCC(=O)NCc1cc(ccn1)C 240690a_100011934573_100000210414 [0,2,0,0,0,0|1,0,1]=4 24362 B13R1.15 CCC(=O)NCc1cc(ccn1)C 527a_100011934573_100000210414 [0,2,0,0,0,0|1,0,1]=4 24363 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100000210414 [0,2,0,0,0,0|1,0,1]=4 24364 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100000210414 [0,2,0,0,0,0|1,0,1]=4 24365 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100000210414 [0,2,0,0,0,0|1,0,1]=4 24366 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100000210414 [0,2,0,0,0,0|1,0,1]=4 24367 B13R1.15 CCC(=O)NCc1cccc(n1)Br 11a_100016987751_100000210414 [0,2,0,0,0,0|1,0,1]=4 24368 B13R1.15 CCC(=O)NCc1cccc(n1)Br 1626a_100016987751_100000210414 [0,2,0,0,0,0|1,0,1]=4 24369 B13R1.15 CCC(=O)NCc1cccc(n1)Br 240690a_100016987751_100000210414 [0,2,0,0,0,0|1,0,1]=4 24370 B13R1.15 CCC(=O)NCc1cccc(n1)Br 527a_100016987751_100000210414 [0,2,0,0,0,0|1,0,1]=4 24371 B13R1.15 CCC(=O)NCc1cccc(n1)C 11a_100000701342_100000210414 [0,2,0,0,0,0|1,0,1]=4 24372 B13R1.15 CCC(=O)NCc1cccc(n1)C 1626a_100000701342_100000210414 [0,2,0,0,0,0|1,0,1]=4 24373 B13R1.15 CCC(=O)NCc1cccc(n1)C 240690a_100000701342_100000210414 [0,2,0,0,0,0|1,0,1]=4 24374 B13R1.15 CCC(=O)NCc1cccc(n1)C 527a_100000701342_100000210414 [0,2,0,0,0,0|1,0,1]=4 24375 B13R1.15 CCC(=O)NCc1cccc(n1)Cl 11a_100016990191_100000210414 [0,2,0,0,0,0|1,0,1]=4 24376 B13R1.15 CCC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100000210414 [0,2,0,0,0,0|1,0,1]=4 24377 B13R1.15 CCC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100000210414 [0,2,0,0,0,0|1,0,1]=4 24378 B13R1.15 CCC(=O)NCc1cccc(n1)Cl 527a_100016990191_100000210414 [0,2,0,0,0,0|1,0,1]=4 24379 B13R1.15 CCC(=O)NCc1cccc(n1)F 11a_100015188798_100000210414 [0,2,0,0,0,0|1,0,1]=4 24380 B13R1.15 CCC(=O)NCc1cccc(n1)F 1626a_100015188798_100000210414 [0,2,0,0,0,0|1,0,1]=4 24381 B13R1.15 CCC(=O)NCc1cccc(n1)F 240690a_100015188798_100000210414 [0,2,0,0,0,0|1,0,1]=4 24382 B13R1.15 CCC(=O)NCc1cccc(n1)F 527a_100015188798_100000210414 [0,2,0,0,0,0|1,0,1]=4 24383 B13R1.15 CCC(C)CNc1c[n+](ccn1)[O-] 27a_100020588543_100009880115 [0,2,0,0,0,0|2,0,0]=4 24384 B13R1.15 CCC(C)CNc1cc(ccn1)F 27a_100020588543_100000764206 [0,2,0,0,0,0|1,0,0]=3 24385 B13R1.15 CCC(C)CNc1cc(cnn1)C 27a_100020588543_100000070100 [0,2,0,0,0,0|2,0,0]=4 24386 B13R1.15 CCC(C)CNc1cc(ncn1)C 27a_100020588543_100000744208 [0,2,0,0,0,0|2,0,0]=4 24387 B13R1.15 CCC(C)CNc1cc(ncn1)F 27a_100020588543_200009880791 [0,2,0,0,0,0|2,0,0]=4 24388 B13R1.15 CCC(C)CNc1cc(ncn1)N 27a_100020588543_100000701291 [0,2,0,0,0,0|2,0,0]=4 24389 B13R1.15 CCC(C)CNc1cc(ncn1)O 27a_100020588543_100000765262 [0,2,0,0,0,0|2,0,0]=4 24390 B13R1.15 CCC(C)CNc1cc[nH]c(=O)n1 27a_100020588543_200000134032 [0,2,0,0,0,0|2,0,0]=4 24391 B13R1.15 CCC(C)CNc1cccc(c1)Br 34a_100000210019_100000748023 [0,2,0,0,0,0|2,0,0]=4 24392 B13R1.15 CCC(C)CNc1cccc(c1)C 2230a_100000188690_100000748023 [0,2,0,0,0,0|2,0,0]=4 24393 B13R1.15 CCC(C)CNc1cccc(c1)C 34a_100000188690_100000748023 [0,2,0,0,0,0|2,0,0]=4 24394 B13R1.15 CCC(C)CNc1cccc(c1)Cl 34a_100000185859_100000748023 [0,2,0,0,0,0|2,0,0]=4 24395 B13R1.15 CCC(C)CNc1cccc(c1)F 34a_100000210047_100000748023 [0,2,0,0,0,0|2,0,0]=4 24396 B13R1.15 CCC(C)CNc1cccc(c1)I 34a_100000211102_100000748023 [0,2,0,0,0,0|2,0,0]=4 24397 B13R1.15 CCC(C)CNc1cccc(c1)O 34a_100000210217_100000748023 [0,2,0,0,0,0|2,0,0]=4 24398 B13R1.15 CCC(C)CNc1cccc(n1)F 27a_100020588543_100009815982 [0,2,0,0,0,0|1,0,0]=3 24399 B13R1.15 CCC(C)CNc1ccnc(n1)C 27a_100020588543_100000749937 [0,2,0,0,0,0|2,0,0]=4 24400 B13R1.15 CCC(C)CNc1ccnc(n1)N 27a_100020588543_100000055538 [0,2,0,0,0,0|2,0,0]=4 24401 B13R1.15 CCC(C)CNc1cncc(n1)C 27a_100020588543_100000754123 [0,2,0,0,0,0|2,0,0]=4 24402 B13R1.15 CCC(C)CNc1cncc(n1)Cl 27a_100020588543_100010892449 [0,2,0,0,0,0|2,0,0]=4 24403 B13R1.15 CCC(C)CNc1cncc(n1)F 27a_100020588543_200009863489 [0,2,0,0,0,0|2,0,0]=4 24404 B13R1.15 CCC(C)CNc1nccc(n1)C 27a_100020588543_100000750684 [0,2,0,0,0,0|2,0,0]=4 24405 B13R1.15 CCC(C)CNc1nccc(n1)N 27a_100020588543_100000757536 [0,2,0,0,0,0|2,0,0]=4 24406 B13R1.15 CCC(C)CNc1nccc(n1)O 27a_100020588543_100011649813 [0,2,0,0,0,0|2,0,0]=4 24407 B13R1.15 CCC(C)COc1cc(cnn1)C 34a_100000766097_100000748023 [0,2,0,0,0,0|2,0,0]=4 24408 B13R1.15 CCC(C)COc1cccc(=O)[nH]1 34a_100000033347_100000748023 [0,2,0,0,0,0|1,0,1]=4 24409 B13R1.15 CCC(C)COc1cccc(c1)Br 34a_100000210342_100000748023 [0,2,0,0,0,0|2,0,0]=4 24410 B13R1.15 CCC(C)COc1cccc(c1)Br 7a_100000210342_100000748023 [0,2,0,0,0,0|2,0,0]=4 24411 B13R1.15 CCC(C)COc1cccc(c1)C 34a_100000210337_100000748023 [0,2,0,0,0,0|2,0,0]=4 24412 B13R1.15 CCC(C)COc1cccc(c1)C 7a_100000210337_100000748023 [0,2,0,0,0,0|2,0,0]=4 24413 B13R1.15 CCC(C)COc1cccc(c1)Cl 34a_100000210295_100000748023 [0,2,0,0,0,0|2,0,0]=4 24414 B13R1.15 CCC(C)COc1cccc(c1)Cl 7a_100000210295_100000748023 [0,2,0,0,0,0|2,0,0]=4 24415 B13R1.15 CCC(C)COc1cccc(c1)F 34a_100000210426_100000748023 [0,2,0,0,0,0|2,0,0]=4 24416 B13R1.15 CCC(C)COc1cccc(c1)F 7a_100000210426_100000748023 [0,2,0,0,0,0|2,0,0]=4 24417 B13R1.15 CCC(C)COc1cccc(c1)I 34a_100000211634_100000748023 [0,2,0,0,0,0|2,0,0]=4 24418 B13R1.15 CCC(C)COc1cccc(c1)I 7a_100000211634_100000748023 [0,2,0,0,0,0|2,0,0]=4 24419 B13R1.15 CCC(C)COc1cccc(c1)N 34a_100000210217_100000748023 [0,2,0,0,0,0|2,0,0]=4 24420 B13R1.15 CCC(C)COc1cccc(n1)F 34a_100011432558_100000748023 [0,2,0,0,0,0|1,0,0]=3 24421 B13R1.15 CCC(C)CSc1c[n+](ccn1)[O-] 62a_100000748023_100009880115 [0,2,0,0,0,0|2,0,0]=4 24422 B13R1.15 CCC(C)CSc1cc(=O)[nH]cn1 62a_100012002517_100000748023 [0,2,0,0,0,0|2,0,0]=4 24423 B13R1.15 CCC(C)CSc1cc(=O)cc[nH]1 62a_100009817434_100000748023 [0,2,0,0,0,0|1,0,1]=4 24424 B13R1.15 CCC(C)CSc1cc(ccn1)C 62a_100000748023_100000750283 [0,2,0,0,0,0|1,0,0]=3 24425 B13R1.15 CCC(C)CSc1cc(ccn1)C 62a_100000750283_100000748023 [0,2,0,0,0,0|1,0,0]=3 24426 B13R1.15 CCC(C)CSc1cc(ccn1)Cl 62a_100000748023_100010167805 [0,2,0,0,0,0|1,0,0]=3 24427 B13R1.15 CCC(C)CSc1cc(ccn1)Cl 62a_100010167805_100000748023 [0,2,0,0,0,0|1,0,0]=3 24428 B13R1.15 CCC(C)CSc1cc(ccn1)F 62a_100000748023_100000764206 [0,2,0,0,0,0|1,0,0]=3 24429 B13R1.15 CCC(C)CSc1cc(ccn1)F 62a_100000764206_100000748023 [0,2,0,0,0,0|1,0,0]=3 24430 B13R1.15 CCC(C)CSc1cc(ccn1)N 62a_100000748023_100009814236 [0,2,0,0,0,0|1,0,0]=3 24431 B13R1.15 CCC(C)CSc1cc(ccn1)N 62a_100009814236_100000748023 [0,2,0,0,0,0|1,0,0]=3 24432 B13R1.15 CCC(C)CSc1cc(ccn1)O 62a_100000748023_100000762945 [0,2,0,0,0,0|1,0,0]=3 24433 B13R1.15 CCC(C)CSc1cc(cnn1)C 62a_100000070100_100000748023 [0,2,0,0,0,0|2,0,0]=4 24434 B13R1.15 CCC(C)CSc1cc(cnn1)C 62a_100000748023_100000070100 [0,2,0,0,0,0|2,0,0]=4 24435 B13R1.15 CCC(C)CSc1cc(cnn1)N 62a_100000748023_100011996757 [0,2,0,0,0,0|2,0,0]=4 24436 B13R1.15 CCC(C)CSc1cc(cnn1)N 62a_100011996757_100000748023 [0,2,0,0,0,0|2,0,0]=4 24437 B13R1.15 CCC(C)CSc1cc(cnn1)O 62a_100000748023_200010734679 [0,2,0,0,0,0|2,0,0]=4 24438 B13R1.15 CCC(C)CSc1cc(ncn1)C 62a_100000744208_100000748023 [0,2,0,0,0,0|2,0,0]=4 24439 B13R1.15 CCC(C)CSc1cc(ncn1)C 62a_100000748023_100000744208 [0,2,0,0,0,0|2,0,0]=4 24440 B13R1.15 CCC(C)CSc1cc(ncn1)Cl 62a_100000748023_100010161198 [0,2,0,0,0,0|2,0,0]=4 24441 B13R1.15 CCC(C)CSc1cc(ncn1)Cl 62a_100010161198_100000748023 [0,2,0,0,0,0|2,0,0]=4 24442 B13R1.15 CCC(C)CSc1cc(ncn1)F 62a_100000748023_200009880791 [0,2,0,0,0,0|2,0,0]=4 24443 B13R1.15 CCC(C)CSc1cc(ncn1)F 62a_200009880791_100000748023 [0,2,0,0,0,0|2,0,0]=4 24444 B13R1.15 CCC(C)CSc1cc(ncn1)N 62a_100000701291_100000748023 [0,2,0,0,0,0|2,0,0]=4 24445 B13R1.15 CCC(C)CSc1cc(ncn1)N 62a_100000748023_100000701291 [0,2,0,0,0,0|2,0,0]=4 24446 B13R1.15 CCC(C)CSc1cc(ncn1)O 62a_100000748023_100000765262 [0,2,0,0,0,0|2,0,0]=4 24447 B13R1.15 CCC(C)CSc1cc[nH]c(=O)n1 62a_100000748023_200000134032 [0,2,0,0,0,0|2,0,0]=4 24448 B13R1.15 CCC(C)CSc1cccc(=O)[nH]1 62a_100000748023_100000752884 [0,2,0,0,0,0|1,0,1]=4 24449 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000691529_100000748023 [0,2,0,0,0,0|2,0,0]=4 24450 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000748023_100000691529 [0,2,0,0,0,0|2,0,0]=4 24451 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100000748023_100011215228 [0,2,0,0,0,0|2,0,0]=4 24452 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100011215228_100000748023 [0,2,0,0,0,0|2,0,0]=4 24453 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000699651_100000748023 [0,2,0,0,0,0|2,0,0]=4 24454 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000748023_100000699651 [0,2,0,0,0,0|2,0,0]=4 24455 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000685547_100000748023 [0,2,0,0,0,0|2,0,0]=4 24456 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000748023_100000685547 [0,2,0,0,0,0|2,0,0]=4 24457 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000210019_100000748023 [0,2,0,0,0,0|2,0,0]=4 24458 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000748023_100000210019 [0,2,0,0,0,0|2,0,0]=4 24459 B13R1.15 CCC(C)CSc1cccc(c1)O 62a_100000748023_100000211634 [0,2,0,0,0,0|2,0,0]=4 24460 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_100000748023_114929384022 [0,2,0,0,0,0|2,0,0]=4 24461 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_114929384022_100000748023 [0,2,0,0,0,0|2,0,0]=4 24462 B13R1.15 CCC(C)CSc1cccc(n1)Br 62a_100000684672_100000748023 [0,2,0,0,0,0|1,0,0]=3 24463 B13R1.15 CCC(C)CSc1cccc(n1)Br 62a_100000748023_100000684672 [0,2,0,0,0,0|1,0,0]=3 24464 B13R1.15 CCC(C)CSc1cccc(n1)C 62a_100000742759_100000748023 [0,2,0,0,0,0|1,0,0]=3 24465 B13R1.15 CCC(C)CSc1cccc(n1)C 62a_100000748023_100000742759 [0,2,0,0,0,0|1,0,0]=3 24466 B13R1.15 CCC(C)CSc1cccc(n1)Cl 62a_100000051397_100000748023 [0,2,0,0,0,0|1,0,0]=3 24467 B13R1.15 CCC(C)CSc1cccc(n1)Cl 62a_100000748023_100000051397 [0,2,0,0,0,0|1,0,0]=3 24468 B13R1.15 CCC(C)CSc1cccc(n1)F 62a_100000748023_100009815982 [0,2,0,0,0,0|1,0,0]=3 24469 B13R1.15 CCC(C)CSc1cccc(n1)F 62a_100009815982_100000748023 [0,2,0,0,0,0|1,0,0]=3 24470 B13R1.15 CCC(C)CSc1cccc(n1)N 62a_100000740741_100000748023 [0,2,0,0,0,0|1,0,0]=3 24471 B13R1.15 CCC(C)CSc1cccc(n1)N 62a_100000748023_100000740741 [0,2,0,0,0,0|1,0,0]=3 24472 B13R1.15 CCC(C)CSc1ccnc(n1)C 62a_100000748023_100000749937 [0,2,0,0,0,0|2,0,0]=4 24473 B13R1.15 CCC(C)CSc1ccnc(n1)C 62a_100000749937_100000748023 [0,2,0,0,0,0|2,0,0]=4 24474 B13R1.15 CCC(C)CSc1ccnc(n1)Cl 62a_100000748023_100010154678 [0,2,0,0,0,0|2,0,0]=4 24475 B13R1.15 CCC(C)CSc1ccnc(n1)Cl 62a_100010154678_100000748023 [0,2,0,0,0,0|2,0,0]=4 24476 B13R1.15 CCC(C)CSc1ccnc(n1)N 62a_100000055538_100000748023 [0,2,0,0,0,0|2,0,0]=4 24477 B13R1.15 CCC(C)CSc1ccnc(n1)N 62a_100000748023_100000055538 [0,2,0,0,0,0|2,0,0]=4 24478 B13R1.15 CCC(C)CSc1cncc(n1)C 62a_100000748023_100000754123 [0,2,0,0,0,0|2,0,0]=4 24479 B13R1.15 CCC(C)CSc1cncc(n1)C 62a_100000754123_100000748023 [0,2,0,0,0,0|2,0,0]=4 24480 B13R1.15 CCC(C)CSc1cncc(n1)Cl 62a_100000748023_100010892449 [0,2,0,0,0,0|2,0,0]=4 24481 B13R1.15 CCC(C)CSc1cncc(n1)Cl 62a_100010892449_100000748023 [0,2,0,0,0,0|2,0,0]=4 24482 B13R1.15 CCC(C)CSc1cncc(n1)F 62a_100000748023_200009863489 [0,2,0,0,0,0|2,0,0]=4 24483 B13R1.15 CCC(C)CSc1cncc(n1)F 62a_200009863489_100000748023 [0,2,0,0,0,0|2,0,0]=4 24484 B13R1.15 CCC(C)CSc1cncc(n1)N 62a_100000747728_100000748023 [0,2,0,0,0,0|2,0,0]=4 24485 B13R1.15 CCC(C)CSc1cncc(n1)N 62a_100000748023_100000747728 [0,2,0,0,0,0|2,0,0]=4 24486 B13R1.15 CCC(C)CSc1cncc(n1)O 62a_100000748023_100011269956 [0,2,0,0,0,0|2,0,0]=4 24487 B13R1.15 CCC(C)CSc1nccc(n1)C 62a_100000748023_100011243806 [0,2,0,0,0,0|2,0,0]=4 24488 B13R1.15 CCC(C)CSc1nccc(n1)C 62a_100011243806_100000748023 [0,2,0,0,0,0|2,0,0]=4 24489 B13R1.15 CCC(C)CSc1nccc(n1)N 62a_100000748023_100000757536 [0,2,0,0,0,0|2,0,0]=4 24490 B13R1.15 CCC(C)CSc1nccc(n1)N 62a_100000757536_100000748023 [0,2,0,0,0,0|2,0,0]=4 24491 B13R1.15 CCC(C)CSc1nccc(n1)O 62a_100000748023_100011649813 [0,2,0,0,0,0|2,0,0]=4 24492 B13R1.15 CCC(C)NCc1cc(ccn1)Br 2230a_100000209981_100010173614 [0,2,0,0,0,0|1,0,0]=3 24493 B13R1.15 CCC(C)NCc1cc(ccn1)Br 270004a_100000209981_100009818557 [0,2,0,0,0,0|1,0,0]=3 24494 B13R1.15 CCC(C)NCc1cc(ccn1)C 207a_100000209981_100011361488 [0,2,0,0,0,0|1,0,0]=3 24495 B13R1.15 CCC(C)NCc1cc(ccn1)C 2230a_100000209981_100000718516 [0,2,0,0,0,0|1,0,0]=3 24496 B13R1.15 CCC(C)NCc1cc(ccn1)C 270004a_100000209981_100011361488 [0,2,0,0,0,0|1,0,0]=3 24497 B13R1.15 CCC(C)NCc1cc(ccn1)Cl 2230a_100000209981_100016988179 [0,2,0,0,0,0|1,0,0]=3 24498 B13R1.15 CCC(C)NCc1cc(ccn1)Cl 270004a_100000209981_100011998288 [0,2,0,0,0,0|1,0,0]=3 24499 B13R1.15 CCC(C)NCc1cccc(=O)[nH]1 207a_100000209981_100011935257 [0,2,0,0,0,0|1,0,1]=4 24500 B13R1.15 CCC(C)NCc1cccc(=O)[nH]1 2230a_100000696482_100000758301 [0,2,0,0,0,0|1,0,1]=4 24501 B13R1.15 CCC(C)NCc1cccc(c1)Br 207a_100000209981_100000210085 [0,2,0,0,0,0|2,0,0]=4 24502 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000174977_100000758301 [0,2,0,0,0,0|2,0,0]=4 24503 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000209981_100000698116 [0,2,0,0,0,0|2,0,0]=4 24504 B13R1.15 CCC(C)NCc1cccc(c1)Br 270004a_100000209981_100000210085 [0,2,0,0,0,0|2,0,0]=4 24505 B13R1.15 CCC(C)NCc1cccc(c1)Br 34a_100000174977_100011215416 [0,2,0,0,0,0|2,0,0]=4 24506 B13R1.15 CCC(C)NCc1cccc(c1)C 207a_100000209981_100000211157 [0,2,0,0,0,0|2,0,0]=4 24507 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000185548_100000758301 [0,2,0,0,0,0|2,0,0]=4 24508 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000209981_100000211840 [0,2,0,0,0,0|2,0,0]=4 24509 B13R1.15 CCC(C)NCc1cccc(c1)C 270004a_100000209981_100000211157 [0,2,0,0,0,0|2,0,0]=4 24510 B13R1.15 CCC(C)NCc1cccc(c1)C 34a_100000185548_100011215416 [0,2,0,0,0,0|2,0,0]=4 24511 B13R1.15 CCC(C)NCc1cccc(c1)Cl 207a_100000209981_100000210801 [0,2,0,0,0,0|2,0,0]=4 24512 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000758301 [0,2,0,0,0,0|2,0,0]=4 24513 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000209981_100000181238 [0,2,0,0,0,0|2,0,0]=4 24514 B13R1.15 CCC(C)NCc1cccc(c1)Cl 270004a_100000209981_100000210801 [0,2,0,0,0,0|2,0,0]=4 24515 B13R1.15 CCC(C)NCc1cccc(c1)Cl 34a_100000174878_100011215416 [0,2,0,0,0,0|2,0,0]=4 24516 B13R1.15 CCC(C)NCc1cccc(c1)F 207a_100000209981_100000210812 [0,2,0,0,0,0|2,0,0]=4 24517 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000174948_100000758301 [0,2,0,0,0,0|2,0,0]=4 24518 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000209981_100000230114 [0,2,0,0,0,0|2,0,0]=4 24519 B13R1.15 CCC(C)NCc1cccc(c1)F 270004a_100000209981_100000210812 [0,2,0,0,0,0|2,0,0]=4 24520 B13R1.15 CCC(C)NCc1cccc(c1)F 34a_100000174948_100011215416 [0,2,0,0,0,0|2,0,0]=4 24521 B13R1.15 CCC(C)NCc1cccc(c1)I 207a_100000209981_100000014684 [0,2,0,0,0,0|2,0,0]=4 24522 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000106179_100000758301 [0,2,0,0,0,0|2,0,0]=4 24523 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000209981_100011218688 [0,2,0,0,0,0|2,0,0]=4 24524 B13R1.15 CCC(C)NCc1cccc(c1)I 270004a_100000209981_100000014684 [0,2,0,0,0,0|2,0,0]=4 24525 B13R1.15 CCC(C)NCc1cccc(c1)I 34a_100000106179_100011215416 [0,2,0,0,0,0|2,0,0]=4 24526 B13R1.15 CCC(C)NCc1cccc(c1)O 207a_100000209981_100000188321 [0,2,0,0,0,0|2,0,0]=4 24527 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000209981_100011660834 [0,2,0,0,0,0|2,0,0]=4 24528 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000743036_100000758301 [0,2,0,0,0,0|2,0,0]=4 24529 B13R1.15 CCC(C)NCc1cccc(c1)O 270004a_100000209981_100000188321 [0,2,0,0,0,0|2,0,0]=4 24530 B13R1.15 CCC(C)NCc1cccc(c1)O 271570a_203496583355_100015184642 [0,2,0,0,0,0|2,0,0]=4 24531 B13R1.15 CCC(C)NCc1cccc(c1)O 34a_100000743036_100011215416 [0,2,0,0,0,0|2,0,0]=4 24532 B13R1.15 CCC(C)NCc1cccc(n1)Br 2230a_100000209981_100009889011 [0,2,0,0,0,0|1,0,0]=3 24533 B13R1.15 CCC(C)NCc1cccc(n1)Br 2230a_100016987751_100000758301 [0,2,0,0,0,0|1,0,0]=3 24534 B13R1.15 CCC(C)NCc1cccc(n1)Br 270004a_100000209981_100000688028 [0,2,0,0,0,0|1,0,0]=3 24535 B13R1.15 CCC(C)NCc1cccc(n1)C 207a_100000209981_100011215050 [0,2,0,0,0,0|1,0,0]=3 24536 B13R1.15 CCC(C)NCc1cccc(n1)C 2230a_100000209981_100000757606 [0,2,0,0,0,0|1,0,0]=3 24537 B13R1.15 CCC(C)NCc1cccc(n1)C 270004a_100000209981_100011215050 [0,2,0,0,0,0|1,0,0]=3 24538 B13R1.15 CCC(C)NCc1cccc(n1)C 34a_100000701342_100011215416 [0,2,0,0,0,0|1,0,0]=3 24539 B13R1.15 CCC(C)NCc1cccc(n1)Cl 2230a_100000209981_100000086093 [0,2,0,0,0,0|1,0,0]=3 24540 B13R1.15 CCC(C)NCc1cccc(n1)Cl 2230a_100016990191_100000758301 [0,2,0,0,0,0|1,0,0]=3 24541 B13R1.15 CCC(C)NCc1cccc(n1)Cl 270004a_100000209981_100011361687 [0,2,0,0,0,0|1,0,0]=3 24542 B13R1.15 CCC(C)NCc1cccc(n1)F 2230a_100000209981_100009819644 [0,2,0,0,0,0|1,0,0]=3 24543 B13R1.15 CCC(C)NCc1cccc(n1)F 2230a_100015188798_100000758301 [0,2,0,0,0,0|1,0,0]=3 24544 B13R1.15 CCC(C)NCc1cccc(n1)F 270004a_100000209981_100000050434 [0,2,0,0,0,0|1,0,0]=3 24545 B13R1.15 CCC(C)NCc1cccc(n1)F 34a_100015188798_100011215416 [0,2,0,0,0,0|1,0,0]=3 24546 B13R1.15 CCC(C)NCc1ccnc(n1)C 270004a_100000209981_100011361539 [0,2,0,0,0,0|2,0,0]=4 24547 B13R1.15 CCC(C)NCc1ccnc(n1)Cl 2230a_100000209981_100000099655 [0,2,0,0,0,0|2,0,0]=4 24548 B13R1.15 CCC(C)NCc1cncc(n1)C 207a_100000209981_100000100294 [0,2,0,0,0,0|2,0,0]=4 24549 B13R1.15 CCC(C)NCc1cncc(n1)C 270004a_100000209981_100000100294 [0,2,0,0,0,0|2,0,0]=4 24550 B13R1.15 CCC(C)NCc1nccc(n1)C 2230a_100015186494_100000758301 [0,2,0,0,0,0|2,0,0]=4 24551 B13R1.15 CCC(C)OCc1cc(ccn1)Br 7a_100000210228_100010173614 [0,2,0,0,0,0|1,0,0]=3 24552 B13R1.15 CCC(C)OCc1cc(ccn1)C 34a_100011998357_100011215416 [0,2,0,0,0,0|1,0,0]=3 24553 B13R1.15 CCC(C)OCc1cc(ccn1)C 7a_100000210228_100000718516 [0,2,0,0,0,0|1,0,0]=3 24554 B13R1.15 CCC(C)OCc1cc(ccn1)Cl 34a_100000748867_100011215416 [0,2,0,0,0,0|1,0,0]=3 24555 B13R1.15 CCC(C)OCc1cc(ccn1)Cl 7a_100000210228_100016988179 [0,2,0,0,0,0|1,0,0]=3 24556 B13R1.15 CCC(C)OCc1cc(ccn1)N 34a_100000692640_100011215416 [0,2,0,0,0,0|1,0,0]=3 24557 B13R1.15 CCC(C)OCc1cc(cnn1)C 34a_100016212594_100011215416 [0,2,0,0,0,0|2,0,0]=4 24558 B13R1.15 CCC(C)OCc1cccc(c1)Br 34a_100000687537_100011215416 [0,2,0,0,0,0|2,0,0]=4 24559 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000210228_100000211773 [0,2,0,0,0,0|2,0,0]=4 24560 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000687537_100000758301 [0,2,0,0,0,0|2,0,0]=4 24561 B13R1.15 CCC(C)OCc1cccc(c1)C 34a_100011217746_100011215416 [0,2,0,0,0,0|2,0,0]=4 24562 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100000210228_100000211840 [0,2,0,0,0,0|2,0,0]=4 24563 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100011217746_100000758301 [0,2,0,0,0,0|2,0,0]=4 24564 B13R1.15 CCC(C)OCc1cccc(c1)Cl 34a_100000241301_100011215416 [0,2,0,0,0,0|2,0,0]=4 24565 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000210228_100000187163 [0,2,0,0,0,0|2,0,0]=4 24566 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000241301_100000758301 [0,2,0,0,0,0|2,0,0]=4 24567 B13R1.15 CCC(C)OCc1cccc(c1)F 34a_100000210976_100011215416 [0,2,0,0,0,0|2,0,0]=4 24568 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210228_100000230114 [0,2,0,0,0,0|2,0,0]=4 24569 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210976_100000758301 [0,2,0,0,0,0|2,0,0]=4 24570 B13R1.15 CCC(C)OCc1cccc(c1)I 34a_100011215336_100011215416 [0,2,0,0,0,0|2,0,0]=4 24571 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100000210228_100011218688 [0,2,0,0,0,0|2,0,0]=4 24572 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100011215336_100000758301 [0,2,0,0,0,0|2,0,0]=4 24573 B13R1.15 CCC(C)OCc1cccc(c1)N 34a_100000211919_100011215416 [0,2,0,0,0,0|2,0,0]=4 24574 B13R1.15 CCC(C)OCc1cccc(c1)O 7a_100000210228_100000084143 [0,2,0,0,0,0|2,0,0]=4 24575 B13R1.15 CCC(C)OCc1cccc(n1)Br 34a_100000694195_100011215416 [0,2,0,0,0,0|1,0,0]=3 24576 B13R1.15 CCC(C)OCc1cccc(n1)Br 7a_100000210228_100009889011 [0,2,0,0,0,0|1,0,0]=3 24577 B13R1.15 CCC(C)OCc1cccc(n1)C 34a_100000690600_100011215416 [0,2,0,0,0,0|1,0,0]=3 24578 B13R1.15 CCC(C)OCc1cccc(n1)C 7a_100000210228_100000757606 [0,2,0,0,0,0|1,0,0]=3 24579 B13R1.15 CCC(C)OCc1cccc(n1)Cl 34a_100011998359_100011215416 [0,2,0,0,0,0|1,0,0]=3 24580 B13R1.15 CCC(C)OCc1cccc(n1)Cl 7a_100000210228_100000086093 [0,2,0,0,0,0|1,0,0]=3 24581 B13R1.15 CCC(C)OCc1cccc(n1)F 34a_100000086748_100011215416 [0,2,0,0,0,0|1,0,0]=3 24582 B13R1.15 CCC(C)OCc1cccc(n1)F 7a_100000210228_100009819644 [0,2,0,0,0,0|1,0,0]=3 24583 B13R1.15 CCC(C)OCc1ccnc(n1)Cl 7a_100000210228_100000099655 [0,2,0,0,0,0|2,0,0]=4 24584 B13R1.15 CCC(C)SCc1cc(ccn1)Br 62a_100000758301_100010173614 [0,2,0,0,0,0|1,0,0]=3 24585 B13R1.15 CCC(C)SCc1cc(ccn1)Br 62a_100010173614_100000758301 [0,2,0,0,0,0|1,0,0]=3 24586 B13R1.15 CCC(C)SCc1cc(ccn1)C 62a_100000718516_100000758301 [0,2,0,0,0,0|1,0,0]=3 24587 B13R1.15 CCC(C)SCc1cc(ccn1)C 62a_100000758301_100000718516 [0,2,0,0,0,0|1,0,0]=3 24588 B13R1.15 CCC(C)SCc1cc(ccn1)Cl 62a_100000758301_100016988179 [0,2,0,0,0,0|1,0,0]=3 24589 B13R1.15 CCC(C)SCc1cc(ccn1)Cl 62a_100016988179_100000758301 [0,2,0,0,0,0|1,0,0]=3 24590 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000211773_100000758301 [0,2,0,0,0,0|2,0,0]=4 24591 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000758301_100000211773 [0,2,0,0,0,0|2,0,0]=4 24592 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000211840_100000758301 [0,2,0,0,0,0|2,0,0]=4 24593 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000758301_100000211840 [0,2,0,0,0,0|2,0,0]=4 24594 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000187163_100000758301 [0,2,0,0,0,0|2,0,0]=4 24595 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000758301_100000187163 [0,2,0,0,0,0|2,0,0]=4 24596 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000230114_100000758301 [0,2,0,0,0,0|2,0,0]=4 24597 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000758301_100000230114 [0,2,0,0,0,0|2,0,0]=4 24598 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100000758301_100011218688 [0,2,0,0,0,0|2,0,0]=4 24599 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100011218688_100000758301 [0,2,0,0,0,0|2,0,0]=4 24600 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100000758301_100011660834 [0,2,0,0,0,0|2,0,0]=4 24601 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100011660834_100000758301 [0,2,0,0,0,0|2,0,0]=4 24602 B13R1.15 CCC(C)SCc1cccc(n1)Br 62a_100000758301_100009889011 [0,2,0,0,0,0|1,0,0]=3 24603 B13R1.15 CCC(C)SCc1cccc(n1)Br 62a_100009889011_100000758301 [0,2,0,0,0,0|1,0,0]=3 24604 B13R1.15 CCC(C)SCc1cccc(n1)C 62a_100000757606_100000758301 [0,2,0,0,0,0|1,0,0]=3 24605 B13R1.15 CCC(C)SCc1cccc(n1)C 62a_100000758301_100000757606 [0,2,0,0,0,0|1,0,0]=3 24606 B13R1.15 CCC(C)SCc1cccc(n1)Cl 62a_100000086093_100000758301 [0,2,0,0,0,0|1,0,0]=3 24607 B13R1.15 CCC(C)SCc1cccc(n1)Cl 62a_100000758301_100000086093 [0,2,0,0,0,0|1,0,0]=3 24608 B13R1.15 CCC(C)SCc1cccc(n1)F 62a_100000758301_100009819644 [0,2,0,0,0,0|1,0,0]=3 24609 B13R1.15 CCC(C)SCc1cccc(n1)F 62a_100009819644_100000758301 [0,2,0,0,0,0|1,0,0]=3 24610 B13R1.15 CCC(C)SCc1ccnc(n1)Cl 62a_100000099655_100000758301 [0,2,0,0,0,0|2,0,0]=4 24611 B13R1.15 CCC(C)SCc1ccnc(n1)Cl 62a_100000758301_100000099655 [0,2,0,0,0,0|2,0,0]=4 24612 B13R1.15 CCC(O)CNc1c[n+](ccn1)[O-] 27a_100011218483_100009880115 [0,2,0,0,0,0|2,0,0]=4 24613 B13R1.15 CCC(O)CNc1cc(ccn1)F 27a_100011218483_100000764206 [0,2,0,0,0,0|1,0,0]=3 24614 B13R1.15 CCC(O)CNc1cc(cnn1)C 27a_100011218483_100000070100 [0,2,0,0,0,0|2,0,0]=4 24615 B13R1.15 CCC(O)CNc1cc(ncn1)C 27a_100011218483_100000744208 [0,2,0,0,0,0|2,0,0]=4 24616 B13R1.15 CCC(O)CNc1cc(ncn1)F 27a_100011218483_200009880791 [0,2,0,0,0,0|2,0,0]=4 24617 B13R1.15 CCC(O)CNc1cc(ncn1)N 27a_100011218483_100000701291 [0,2,0,0,0,0|2,0,0]=4 24618 B13R1.15 CCC(O)CNc1cc(ncn1)O 27a_100011218483_100000765262 [0,2,0,0,0,0|2,0,0]=4 24619 B13R1.15 CCC(O)CNc1cc[nH]c(=O)n1 27a_100011218483_200000134032 [0,2,0,0,0,0|2,0,0]=4 24620 B13R1.15 CCC(O)CNc1cccc(c1)Br 34a_100000210019_100011218378 [0,2,0,0,0,0|2,0,0]=4 24621 B13R1.15 CCC(O)CNc1cccc(c1)C 2230a_100000188690_100011218378 [0,2,0,0,0,0|2,0,0]=4 24622 B13R1.15 CCC(O)CNc1cccc(c1)C 34a_100000188690_100011218378 [0,2,0,0,0,0|2,0,0]=4 24623 B13R1.15 CCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218378 [0,2,0,0,0,0|2,0,0]=4 24624 B13R1.15 CCC(O)CNc1cccc(c1)F 34a_100000210047_100011218378 [0,2,0,0,0,0|2,0,0]=4 24625 B13R1.15 CCC(O)CNc1cccc(c1)I 34a_100000211102_100011218378 [0,2,0,0,0,0|2,0,0]=4 24626 B13R1.15 CCC(O)CNc1cccc(c1)O 34a_100000210217_100011218378 [0,2,0,0,0,0|2,0,0]=4 24627 B13R1.15 CCC(O)CNc1cccc(n1)F 27a_100011218483_100009815982 [0,2,0,0,0,0|1,0,0]=3 24628 B13R1.15 CCC(O)CNc1ccnc(n1)C 27a_100011218483_100000749937 [0,2,0,0,0,0|2,0,0]=4 24629 B13R1.15 CCC(O)CNc1ccnc(n1)N 27a_100011218483_100000055538 [0,2,0,0,0,0|2,0,0]=4 24630 B13R1.15 CCC(O)CNc1cncc(n1)C 27a_100011218483_100000754123 [0,2,0,0,0,0|2,0,0]=4 24631 B13R1.15 CCC(O)CNc1cncc(n1)Cl 27a_100011218483_100010892449 [0,2,0,0,0,0|2,0,0]=4 24632 B13R1.15 CCC(O)CNc1cncc(n1)F 27a_100011218483_200009863489 [0,2,0,0,0,0|2,0,0]=4 24633 B13R1.15 CCC(O)CNc1nccc(n1)C 27a_100011218483_100000750684 [0,2,0,0,0,0|2,0,0]=4 24634 B13R1.15 CCC(O)CNc1nccc(n1)N 27a_100011218483_100000757536 [0,2,0,0,0,0|2,0,0]=4 24635 B13R1.15 CCC(O)CNc1nccc(n1)O 27a_100011218483_100011649813 [0,2,0,0,0,0|2,0,0]=4 24636 B13R1.15 CCC(O)COc1cc(cnn1)C 34a_100000766097_100011218378 [0,2,0,0,0,0|2,0,0]=4 24637 B13R1.15 CCC(O)COc1cccc(=O)[nH]1 34a_100000033347_100011218378 [0,2,0,0,0,0|1,0,1]=4 24638 B13R1.15 CCC(O)COc1cccc(c1)Br 34a_100000210342_100011218378 [0,2,0,0,0,0|2,0,0]=4 24639 B13R1.15 CCC(O)COc1cccc(c1)Br 7a_100000210342_100011218378 [0,2,0,0,0,0|2,0,0]=4 24640 B13R1.15 CCC(O)COc1cccc(c1)C 34a_100000210337_100011218378 [0,2,0,0,0,0|2,0,0]=4 24641 B13R1.15 CCC(O)COc1cccc(c1)C 7a_100000210337_100011218378 [0,2,0,0,0,0|2,0,0]=4 24642 B13R1.15 CCC(O)COc1cccc(c1)Cl 34a_100000210295_100011218378 [0,2,0,0,0,0|2,0,0]=4 24643 B13R1.15 CCC(O)COc1cccc(c1)Cl 7a_100000210295_100011218378 [0,2,0,0,0,0|2,0,0]=4 24644 B13R1.15 CCC(O)COc1cccc(c1)F 34a_100000210426_100011218378 [0,2,0,0,0,0|2,0,0]=4 24645 B13R1.15 CCC(O)COc1cccc(c1)F 7a_100000210426_100011218378 [0,2,0,0,0,0|2,0,0]=4 24646 B13R1.15 CCC(O)COc1cccc(c1)I 34a_100000211634_100011218378 [0,2,0,0,0,0|2,0,0]=4 24647 B13R1.15 CCC(O)COc1cccc(c1)I 7a_100000211634_100011218378 [0,2,0,0,0,0|2,0,0]=4 24648 B13R1.15 CCC(O)COc1cccc(c1)N 34a_100000210217_100011218378 [0,2,0,0,0,0|2,0,0]=4 24649 B13R1.15 CCC(O)COc1cccc(n1)F 34a_100011432558_100011218378 [0,2,0,0,0,0|1,0,0]=3 24650 B13R1.15 CCC(O)CSc1c[n+](ccn1)[O-] 62a_100011218378_100009880115 [0,2,0,0,0,0|2,0,0]=4 24651 B13R1.15 CCC(O)CSc1cc(=O)[nH]cn1 62a_100012002517_100011218378 [0,2,0,0,0,0|2,0,0]=4 24652 B13R1.15 CCC(O)CSc1cc(=O)cc[nH]1 62a_100009817434_100011218378 [0,2,0,0,0,0|1,0,1]=4 24653 B13R1.15 CCC(O)CSc1cc(ccn1)C 62a_100000750283_100011218378 [0,2,0,0,0,0|1,0,0]=3 24654 B13R1.15 CCC(O)CSc1cc(ccn1)C 62a_100011218378_100000750283 [0,2,0,0,0,0|1,0,0]=3 24655 B13R1.15 CCC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011218378 [0,2,0,0,0,0|1,0,0]=3 24656 B13R1.15 CCC(O)CSc1cc(ccn1)Cl 62a_100011218378_100010167805 [0,2,0,0,0,0|1,0,0]=3 24657 B13R1.15 CCC(O)CSc1cc(ccn1)F 62a_100000764206_100011218378 [0,2,0,0,0,0|1,0,0]=3 24658 B13R1.15 CCC(O)CSc1cc(ccn1)F 62a_100011218378_100000764206 [0,2,0,0,0,0|1,0,0]=3 24659 B13R1.15 CCC(O)CSc1cc(ccn1)N 62a_100009814236_100011218378 [0,2,0,0,0,0|1,0,0]=3 24660 B13R1.15 CCC(O)CSc1cc(ccn1)N 62a_100011218378_100009814236 [0,2,0,0,0,0|1,0,0]=3 24661 B13R1.15 CCC(O)CSc1cc(ccn1)O 62a_100011218378_100000762945 [0,2,0,0,0,0|1,0,0]=3 24662 B13R1.15 CCC(O)CSc1cc(cnn1)C 62a_100000070100_100011218378 [0,2,0,0,0,0|2,0,0]=4 24663 B13R1.15 CCC(O)CSc1cc(cnn1)C 62a_100011218378_100000070100 [0,2,0,0,0,0|2,0,0]=4 24664 B13R1.15 CCC(O)CSc1cc(cnn1)N 62a_100011218378_100011996757 [0,2,0,0,0,0|2,0,0]=4 24665 B13R1.15 CCC(O)CSc1cc(cnn1)N 62a_100011996757_100011218378 [0,2,0,0,0,0|2,0,0]=4 24666 B13R1.15 CCC(O)CSc1cc(cnn1)O 62a_100011218378_200010734679 [0,2,0,0,0,0|2,0,0]=4 24667 B13R1.15 CCC(O)CSc1cc(ncn1)C 62a_100000744208_100011218378 [0,2,0,0,0,0|2,0,0]=4 24668 B13R1.15 CCC(O)CSc1cc(ncn1)C 62a_100011218378_100000744208 [0,2,0,0,0,0|2,0,0]=4 24669 B13R1.15 CCC(O)CSc1cc(ncn1)Cl 62a_100010161198_100011218378 [0,2,0,0,0,0|2,0,0]=4 24670 B13R1.15 CCC(O)CSc1cc(ncn1)Cl 62a_100011218378_100010161198 [0,2,0,0,0,0|2,0,0]=4 24671 B13R1.15 CCC(O)CSc1cc(ncn1)F 62a_100011218378_200009880791 [0,2,0,0,0,0|2,0,0]=4 24672 B13R1.15 CCC(O)CSc1cc(ncn1)F 62a_200009880791_100011218378 [0,2,0,0,0,0|2,0,0]=4 24673 B13R1.15 CCC(O)CSc1cc(ncn1)N 62a_100000701291_100011218378 [0,2,0,0,0,0|2,0,0]=4 24674 B13R1.15 CCC(O)CSc1cc(ncn1)N 62a_100011218378_100000701291 [0,2,0,0,0,0|2,0,0]=4 24675 B13R1.15 CCC(O)CSc1cc(ncn1)O 62a_100011218378_100000765262 [0,2,0,0,0,0|2,0,0]=4 24676 B13R1.15 CCC(O)CSc1cc[nH]c(=O)n1 62a_100011218378_200000134032 [0,2,0,0,0,0|2,0,0]=4 24677 B13R1.15 CCC(O)CSc1cccc(=O)[nH]1 62a_100011218378_100000752884 [0,2,0,0,0,0|1,0,1]=4 24678 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100000691529_100011218378 [0,2,0,0,0,0|2,0,0]=4 24679 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100011218378_100000691529 [0,2,0,0,0,0|2,0,0]=4 24680 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011215228_100011218378 [0,2,0,0,0,0|2,0,0]=4 24681 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011218378_100011215228 [0,2,0,0,0,0|2,0,0]=4 24682 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218378 [0,2,0,0,0,0|2,0,0]=4 24683 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100011218378_100000699651 [0,2,0,0,0,0|2,0,0]=4 24684 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100000685547_100011218378 [0,2,0,0,0,0|2,0,0]=4 24685 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100011218378_100000685547 [0,2,0,0,0,0|2,0,0]=4 24686 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100000210019_100011218378 [0,2,0,0,0,0|2,0,0]=4 24687 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100011218378_100000210019 [0,2,0,0,0,0|2,0,0]=4 24688 B13R1.15 CCC(O)CSc1cccc(c1)O 62a_100011218378_100000211634 [0,2,0,0,0,0|2,0,0]=4 24689 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_100011218378_114929384022 [0,2,0,0,0,0|2,0,0]=4 24690 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218378 [0,2,0,0,0,0|2,0,0]=4 24691 B13R1.15 CCC(O)CSc1cccc(n1)Br 62a_100000684672_100011218378 [0,2,0,0,0,0|1,0,0]=3 24692 B13R1.15 CCC(O)CSc1cccc(n1)Br 62a_100011218378_100000684672 [0,2,0,0,0,0|1,0,0]=3 24693 B13R1.15 CCC(O)CSc1cccc(n1)C 62a_100000742759_100011218378 [0,2,0,0,0,0|1,0,0]=3 24694 B13R1.15 CCC(O)CSc1cccc(n1)C 62a_100011218378_100000742759 [0,2,0,0,0,0|1,0,0]=3 24695 B13R1.15 CCC(O)CSc1cccc(n1)Cl 62a_100000051397_100011218378 [0,2,0,0,0,0|1,0,0]=3 24696 B13R1.15 CCC(O)CSc1cccc(n1)Cl 62a_100011218378_100000051397 [0,2,0,0,0,0|1,0,0]=3 24697 B13R1.15 CCC(O)CSc1cccc(n1)F 62a_100009815982_100011218378 [0,2,0,0,0,0|1,0,0]=3 24698 B13R1.15 CCC(O)CSc1cccc(n1)F 62a_100011218378_100009815982 [0,2,0,0,0,0|1,0,0]=3 24699 B13R1.15 CCC(O)CSc1cccc(n1)N 62a_100000740741_100011218378 [0,2,0,0,0,0|1,0,0]=3 24700 B13R1.15 CCC(O)CSc1cccc(n1)N 62a_100011218378_100000740741 [0,2,0,0,0,0|1,0,0]=3 24701 B13R1.15 CCC(O)CSc1ccnc(n1)C 62a_100000749937_100011218378 [0,2,0,0,0,0|2,0,0]=4 24702 B13R1.15 CCC(O)CSc1ccnc(n1)C 62a_100011218378_100000749937 [0,2,0,0,0,0|2,0,0]=4 24703 B13R1.15 CCC(O)CSc1ccnc(n1)Cl 62a_100010154678_100011218378 [0,2,0,0,0,0|2,0,0]=4 24704 B13R1.15 CCC(O)CSc1ccnc(n1)Cl 62a_100011218378_100010154678 [0,2,0,0,0,0|2,0,0]=4 24705 B13R1.15 CCC(O)CSc1ccnc(n1)N 62a_100000055538_100011218378 [0,2,0,0,0,0|2,0,0]=4 24706 B13R1.15 CCC(O)CSc1ccnc(n1)N 62a_100011218378_100000055538 [0,2,0,0,0,0|2,0,0]=4 24707 B13R1.15 CCC(O)CSc1cncc(n1)C 62a_100000754123_100011218378 [0,2,0,0,0,0|2,0,0]=4 24708 B13R1.15 CCC(O)CSc1cncc(n1)C 62a_100011218378_100000754123 [0,2,0,0,0,0|2,0,0]=4 24709 B13R1.15 CCC(O)CSc1cncc(n1)Cl 62a_100010892449_100011218378 [0,2,0,0,0,0|2,0,0]=4 24710 B13R1.15 CCC(O)CSc1cncc(n1)Cl 62a_100011218378_100010892449 [0,2,0,0,0,0|2,0,0]=4 24711 B13R1.15 CCC(O)CSc1cncc(n1)F 62a_100011218378_200009863489 [0,2,0,0,0,0|2,0,0]=4 24712 B13R1.15 CCC(O)CSc1cncc(n1)F 62a_200009863489_100011218378 [0,2,0,0,0,0|2,0,0]=4 24713 B13R1.15 CCC(O)CSc1cncc(n1)N 62a_100000747728_100011218378 [0,2,0,0,0,0|2,0,0]=4 24714 B13R1.15 CCC(O)CSc1cncc(n1)N 62a_100011218378_100000747728 [0,2,0,0,0,0|2,0,0]=4 24715 B13R1.15 CCC(O)CSc1cncc(n1)O 62a_100011218378_100011269956 [0,2,0,0,0,0|2,0,0]=4 24716 B13R1.15 CCC(O)CSc1nccc(n1)C 62a_100011218378_100011243806 [0,2,0,0,0,0|2,0,0]=4 24717 B13R1.15 CCC(O)CSc1nccc(n1)C 62a_100011243806_100011218378 [0,2,0,0,0,0|2,0,0]=4 24718 B13R1.15 CCC(O)CSc1nccc(n1)N 62a_100000757536_100011218378 [0,2,0,0,0,0|2,0,0]=4 24719 B13R1.15 CCC(O)CSc1nccc(n1)N 62a_100011218378_100000757536 [0,2,0,0,0,0|2,0,0]=4 24720 B13R1.15 CCC(O)CSc1nccc(n1)O 62a_100011218378_100011649813 [0,2,0,0,0,0|2,0,0]=4 24721 B13R1.15 CCN(C)CCc1cccc(c1)Br 2230a_100000225621_100011740638 [0,2,0,0,0,0|2,0,0]=4 24722 B13R1.15 CCN(C)CCc1cccc(c1)Br 269982a_100000225621_100011740638 [0,2,0,0,0,0|2,0,0]=4 24723 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_100000225621_100011713685 [0,2,0,0,0,0|2,0,0]=4 24724 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210202 [0,2,0,0,0,0|2,0,0]=4 24725 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_100000225621_100011713685 [0,2,0,0,0,0|2,0,0]=4 24726 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_114849113767_100000204670 [0,2,0,0,0,0|2,0,0]=4 24727 B13R1.15 CCN(C)CCc1cccc(c1)C 34a_114849113767_100000210202 [0,2,0,0,0,0|2,0,0]=4 24728 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_100000225621_100011713710 [0,2,0,0,0,0|2,0,0]=4 24729 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210202 [0,2,0,0,0,0|2,0,0]=4 24730 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_100000225621_100011713710 [0,2,0,0,0,0|2,0,0]=4 24731 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000204670 [0,2,0,0,0,0|2,0,0]=4 24732 B13R1.15 CCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000210202 [0,2,0,0,0,0|2,0,0]=4 24733 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_100000225621_100011217235 [0,2,0,0,0,0|2,0,0]=4 24734 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210202 [0,2,0,0,0,0|2,0,0]=4 24735 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_100000225621_100011217235 [0,2,0,0,0,0|2,0,0]=4 24736 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_106726388868_100000204670 [0,2,0,0,0,0|2,0,0]=4 24737 B13R1.15 CCN(C)CCc1cccc(c1)F 34a_106726388868_100000210202 [0,2,0,0,0,0|2,0,0]=4 24738 B13R1.15 CC[C@H](C)CNc1cccc(c1)Br 34a_100000210019_100009816398 [0,2,0,0,0,0|2,0,0]=4 24739 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 2230a_100000188690_100009816398 [0,2,0,0,0,0|2,0,0]=4 24740 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 34a_100000188690_100009816398 [0,2,0,0,0,0|2,0,0]=4 24741 B13R1.15 CC[C@H](C)CNc1cccc(c1)Cl 34a_100000185859_100009816398 [0,2,0,0,0,0|2,0,0]=4 24742 B13R1.15 CC[C@H](C)CNc1cccc(c1)F 34a_100000210047_100009816398 [0,2,0,0,0,0|2,0,0]=4 24743 B13R1.15 CC[C@H](C)CNc1cccc(c1)I 34a_100000211102_100009816398 [0,2,0,0,0,0|2,0,0]=4 24744 B13R1.15 CC[C@H](C)CNc1cccc(c1)O 34a_100000210217_100009816398 [0,2,0,0,0,0|2,0,0]=4 24745 B13R1.15 CC[C@H](C)COc1cc(cnn1)C 34a_100000766097_100009816398 [0,2,0,0,0,0|2,0,0]=4 24746 B13R1.15 CC[C@H](C)COc1cccc(=O)[nH]1 34a_100000033347_100009816398 [0,2,0,0,0,0|1,0,1]=4 24747 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 34a_100000210342_100009816398 [0,2,0,0,0,0|2,0,0]=4 24748 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 7a_100000210342_100009816398 [0,2,0,0,0,0|2,0,0]=4 24749 B13R1.15 CC[C@H](C)COc1cccc(c1)C 34a_100000210337_100009816398 [0,2,0,0,0,0|2,0,0]=4 24750 B13R1.15 CC[C@H](C)COc1cccc(c1)C 7a_100000210337_100009816398 [0,2,0,0,0,0|2,0,0]=4 24751 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 34a_100000210295_100009816398 [0,2,0,0,0,0|2,0,0]=4 24752 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 7a_100000210295_100009816398 [0,2,0,0,0,0|2,0,0]=4 24753 B13R1.15 CC[C@H](C)COc1cccc(c1)F 34a_100000210426_100009816398 [0,2,0,0,0,0|2,0,0]=4 24754 B13R1.15 CC[C@H](C)COc1cccc(c1)F 7a_100000210426_100009816398 [0,2,0,0,0,0|2,0,0]=4 24755 B13R1.15 CC[C@H](C)COc1cccc(c1)I 34a_100000211634_100009816398 [0,2,0,0,0,0|2,0,0]=4 24756 B13R1.15 CC[C@H](C)COc1cccc(c1)I 7a_100000211634_100009816398 [0,2,0,0,0,0|2,0,0]=4 24757 B13R1.15 CC[C@H](C)COc1cccc(c1)N 34a_100000210217_100009816398 [0,2,0,0,0,0|2,0,0]=4 24758 B13R1.15 CC[C@H](C)COc1cccc(n1)F 34a_100011432558_100009816398 [0,2,0,0,0,0|1,0,0]=3 24759 B13R1.15 CC[C@H](C)CSc1c[n+](ccn1)[O-] 62a_100009816398_100009880115 [0,2,0,0,0,0|2,0,0]=4 24760 B13R1.15 CC[C@H](C)CSc1cc(=O)[nH]cn1 62a_100012002517_100009816398 [0,2,0,0,0,0|2,0,0]=4 24761 B13R1.15 CC[C@H](C)CSc1cc(=O)cc[nH]1 62a_100009817434_100009816398 [0,2,0,0,0,0|1,0,1]=4 24762 B13R1.15 CC[C@H](C)CSc1cc(ccn1)C 62a_100000750283_100009816398 [0,2,0,0,0,0|1,0,0]=3 24763 B13R1.15 CC[C@H](C)CSc1cc(ccn1)C 62a_100009816398_100000750283 [0,2,0,0,0,0|1,0,0]=3 24764 B13R1.15 CC[C@H](C)CSc1cc(ccn1)Cl 62a_100009816398_100010167805 [0,2,0,0,0,0|1,0,0]=3 24765 B13R1.15 CC[C@H](C)CSc1cc(ccn1)Cl 62a_100010167805_100009816398 [0,2,0,0,0,0|1,0,0]=3 24766 B13R1.15 CC[C@H](C)CSc1cc(ccn1)F 62a_100000764206_100009816398 [0,2,0,0,0,0|1,0,0]=3 24767 B13R1.15 CC[C@H](C)CSc1cc(ccn1)F 62a_100009816398_100000764206 [0,2,0,0,0,0|1,0,0]=3 24768 B13R1.15 CC[C@H](C)CSc1cc(ccn1)N 62a_100009814236_100009816398 [0,2,0,0,0,0|1,0,0]=3 24769 B13R1.15 CC[C@H](C)CSc1cc(ccn1)N 62a_100009816398_100009814236 [0,2,0,0,0,0|1,0,0]=3 24770 B13R1.15 CC[C@H](C)CSc1cc(ccn1)O 62a_100009816398_100000762945 [0,2,0,0,0,0|1,0,0]=3 24771 B13R1.15 CC[C@H](C)CSc1cc(cnn1)C 62a_100000070100_100009816398 [0,2,0,0,0,0|2,0,0]=4 24772 B13R1.15 CC[C@H](C)CSc1cc(cnn1)C 62a_100009816398_100000070100 [0,2,0,0,0,0|2,0,0]=4 24773 B13R1.15 CC[C@H](C)CSc1cc(cnn1)N 62a_100009816398_100011996757 [0,2,0,0,0,0|2,0,0]=4 24774 B13R1.15 CC[C@H](C)CSc1cc(cnn1)N 62a_100011996757_100009816398 [0,2,0,0,0,0|2,0,0]=4 24775 B13R1.15 CC[C@H](C)CSc1cc(cnn1)O 62a_100009816398_200010734679 [0,2,0,0,0,0|2,0,0]=4 24776 B13R1.15 CC[C@H](C)CSc1cc(ncn1)C 62a_100000744208_100009816398 [0,2,0,0,0,0|2,0,0]=4 24777 B13R1.15 CC[C@H](C)CSc1cc(ncn1)C 62a_100009816398_100000744208 [0,2,0,0,0,0|2,0,0]=4 24778 B13R1.15 CC[C@H](C)CSc1cc(ncn1)Cl 62a_100009816398_100010161198 [0,2,0,0,0,0|2,0,0]=4 24779 B13R1.15 CC[C@H](C)CSc1cc(ncn1)Cl 62a_100010161198_100009816398 [0,2,0,0,0,0|2,0,0]=4 24780 B13R1.15 CC[C@H](C)CSc1cc(ncn1)F 62a_100009816398_200009880791 [0,2,0,0,0,0|2,0,0]=4 24781 B13R1.15 CC[C@H](C)CSc1cc(ncn1)F 62a_200009880791_100009816398 [0,2,0,0,0,0|2,0,0]=4 24782 B13R1.15 CC[C@H](C)CSc1cc(ncn1)N 62a_100000701291_100009816398 [0,2,0,0,0,0|2,0,0]=4 24783 B13R1.15 CC[C@H](C)CSc1cc(ncn1)N 62a_100009816398_100000701291 [0,2,0,0,0,0|2,0,0]=4 24784 B13R1.15 CC[C@H](C)CSc1cc(ncn1)O 62a_100009816398_100000765262 [0,2,0,0,0,0|2,0,0]=4 24785 B13R1.15 CC[C@H](C)CSc1cc[nH]c(=O)n1 62a_100009816398_200000134032 [0,2,0,0,0,0|2,0,0]=4 24786 B13R1.15 CC[C@H](C)CSc1cccc(=O)[nH]1 62a_100009816398_100000752884 [0,2,0,0,0,0|1,0,1]=4 24787 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100000691529_100009816398 [0,2,0,0,0,0|2,0,0]=4 24788 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100009816398_100000691529 [0,2,0,0,0,0|2,0,0]=4 24789 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100009816398_100011215228 [0,2,0,0,0,0|2,0,0]=4 24790 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100011215228_100009816398 [0,2,0,0,0,0|2,0,0]=4 24791 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100000699651_100009816398 [0,2,0,0,0,0|2,0,0]=4 24792 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100009816398_100000699651 [0,2,0,0,0,0|2,0,0]=4 24793 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100000685547_100009816398 [0,2,0,0,0,0|2,0,0]=4 24794 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100009816398_100000685547 [0,2,0,0,0,0|2,0,0]=4 24795 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100000210019_100009816398 [0,2,0,0,0,0|2,0,0]=4 24796 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100009816398_100000210019 [0,2,0,0,0,0|2,0,0]=4 24797 B13R1.15 CC[C@H](C)CSc1cccc(c1)O 62a_100009816398_100000211634 [0,2,0,0,0,0|2,0,0]=4 24798 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_100009816398_114929384022 [0,2,0,0,0,0|2,0,0]=4 24799 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_114929384022_100009816398 [0,2,0,0,0,0|2,0,0]=4 24800 B13R1.15 CC[C@H](C)CSc1cccc(n1)Br 62a_100000684672_100009816398 [0,2,0,0,0,0|1,0,0]=3 24801 B13R1.15 CC[C@H](C)CSc1cccc(n1)Br 62a_100009816398_100000684672 [0,2,0,0,0,0|1,0,0]=3 24802 B13R1.15 CC[C@H](C)CSc1cccc(n1)C 62a_100000742759_100009816398 [0,2,0,0,0,0|1,0,0]=3 24803 B13R1.15 CC[C@H](C)CSc1cccc(n1)C 62a_100009816398_100000742759 [0,2,0,0,0,0|1,0,0]=3 24804 B13R1.15 CC[C@H](C)CSc1cccc(n1)Cl 62a_100000051397_100009816398 [0,2,0,0,0,0|1,0,0]=3 24805 B13R1.15 CC[C@H](C)CSc1cccc(n1)Cl 62a_100009816398_100000051397 [0,2,0,0,0,0|1,0,0]=3 24806 B13R1.15 CC[C@H](C)CSc1cccc(n1)F 62a_100009815982_100009816398 [0,2,0,0,0,0|1,0,0]=3 24807 B13R1.15 CC[C@H](C)CSc1cccc(n1)F 62a_100009816398_100009815982 [0,2,0,0,0,0|1,0,0]=3 24808 B13R1.15 CC[C@H](C)CSc1cccc(n1)N 62a_100000740741_100009816398 [0,2,0,0,0,0|1,0,0]=3 24809 B13R1.15 CC[C@H](C)CSc1cccc(n1)N 62a_100009816398_100000740741 [0,2,0,0,0,0|1,0,0]=3 24810 B13R1.15 CC[C@H](C)CSc1ccnc(n1)C 62a_100000749937_100009816398 [0,2,0,0,0,0|2,0,0]=4 24811 B13R1.15 CC[C@H](C)CSc1ccnc(n1)C 62a_100009816398_100000749937 [0,2,0,0,0,0|2,0,0]=4 24812 B13R1.15 CC[C@H](C)CSc1ccnc(n1)Cl 62a_100009816398_100010154678 [0,2,0,0,0,0|2,0,0]=4 24813 B13R1.15 CC[C@H](C)CSc1ccnc(n1)Cl 62a_100010154678_100009816398 [0,2,0,0,0,0|2,0,0]=4 24814 B13R1.15 CC[C@H](C)CSc1ccnc(n1)N 62a_100000055538_100009816398 [0,2,0,0,0,0|2,0,0]=4 24815 B13R1.15 CC[C@H](C)CSc1ccnc(n1)N 62a_100009816398_100000055538 [0,2,0,0,0,0|2,0,0]=4 24816 B13R1.15 CC[C@H](C)CSc1cncc(n1)C 62a_100000754123_100009816398 [0,2,0,0,0,0|2,0,0]=4 24817 B13R1.15 CC[C@H](C)CSc1cncc(n1)C 62a_100009816398_100000754123 [0,2,0,0,0,0|2,0,0]=4 24818 B13R1.15 CC[C@H](C)CSc1cncc(n1)Cl 62a_100009816398_100010892449 [0,2,0,0,0,0|2,0,0]=4 24819 B13R1.15 CC[C@H](C)CSc1cncc(n1)Cl 62a_100010892449_100009816398 [0,2,0,0,0,0|2,0,0]=4 24820 B13R1.15 CC[C@H](C)CSc1cncc(n1)F 62a_100009816398_200009863489 [0,2,0,0,0,0|2,0,0]=4 24821 B13R1.15 CC[C@H](C)CSc1cncc(n1)F 62a_200009863489_100009816398 [0,2,0,0,0,0|2,0,0]=4 24822 B13R1.15 CC[C@H](C)CSc1cncc(n1)N 62a_100000747728_100009816398 [0,2,0,0,0,0|2,0,0]=4 24823 B13R1.15 CC[C@H](C)CSc1cncc(n1)N 62a_100009816398_100000747728 [0,2,0,0,0,0|2,0,0]=4 24824 B13R1.15 CC[C@H](C)CSc1cncc(n1)O 62a_100009816398_100011269956 [0,2,0,0,0,0|2,0,0]=4 24825 B13R1.15 CC[C@H](C)CSc1nccc(n1)C 62a_100009816398_100011243806 [0,2,0,0,0,0|2,0,0]=4 24826 B13R1.15 CC[C@H](C)CSc1nccc(n1)C 62a_100011243806_100009816398 [0,2,0,0,0,0|2,0,0]=4 24827 B13R1.15 CC[C@H](C)CSc1nccc(n1)N 62a_100000757536_100009816398 [0,2,0,0,0,0|2,0,0]=4 24828 B13R1.15 CC[C@H](C)CSc1nccc(n1)N 62a_100009816398_100000757536 [0,2,0,0,0,0|2,0,0]=4 24829 B13R1.15 CC[C@H](C)CSc1nccc(n1)O 62a_100009816398_100011649813 [0,2,0,0,0,0|2,0,0]=4 24830 B13R1.15 CNC(C)CCc1cccc(c1)Br 270004a_106832991635_100011279149 [0,2,0,0,0,0|2,0,0]=4 24831 B13R1.15 CNC(C)CCc1cccc(c1)F 270004a_106832991635_100000743863 [0,2,0,0,0,0|2,0,0]=4 24832 B13R1.15 COC(C)SCc1cc(ccn1)Br 62a_100009879195_100010173614 [0,2,0,0,0,0|2,0,0]=4 24833 B13R1.15 COC(C)SCc1cc(ccn1)Br 62a_100010173614_100009879195 [0,2,0,0,0,0|2,0,0]=4 24834 B13R1.15 COC(C)SCc1cc(ccn1)C 62a_100000718516_100009879195 [0,2,0,0,0,0|2,0,0]=4 24835 B13R1.15 COC(C)SCc1cc(ccn1)C 62a_100009879195_100000718516 [0,2,0,0,0,0|2,0,0]=4 24836 B13R1.15 COC(C)SCc1cc(ccn1)Cl 62a_100009879195_100016988179 [0,2,0,0,0,0|2,0,0]=4 24837 B13R1.15 COC(C)SCc1cc(ccn1)Cl 62a_100016988179_100009879195 [0,2,0,0,0,0|2,0,0]=4 24838 B13R1.15 COC(C)SCc1cccc(n1)Br 62a_100009879195_100009889011 [0,2,0,0,0,0|2,0,0]=4 24839 B13R1.15 COC(C)SCc1cccc(n1)Br 62a_100009889011_100009879195 [0,2,0,0,0,0|2,0,0]=4 24840 B13R1.15 COC(C)SCc1cccc(n1)C 62a_100000757606_100009879195 [0,2,0,0,0,0|2,0,0]=4 24841 B13R1.15 COC(C)SCc1cccc(n1)C 62a_100009879195_100000757606 [0,2,0,0,0,0|2,0,0]=4 24842 B13R1.15 COC(C)SCc1cccc(n1)Cl 62a_100000086093_100009879195 [0,2,0,0,0,0|2,0,0]=4 24843 B13R1.15 COC(C)SCc1cccc(n1)Cl 62a_100009879195_100000086093 [0,2,0,0,0,0|2,0,0]=4 24844 B13R1.15 COC(C)SCc1cccc(n1)F 62a_100009819644_100009879195 [0,2,0,0,0,0|2,0,0]=4 24845 B13R1.15 COC(C)SCc1cccc(n1)F 62a_100009879195_100009819644 [0,2,0,0,0,0|2,0,0]=4 24846 B13R1.15 CO[C@H](C)CNc1cc(ccn1)F 27a_100020591295_100000764206 [0,2,0,0,0,0|2,0,0]=4 24847 B13R1.15 CO[C@H](C)CNc1cccc(n1)F 27a_100020591295_100009815982 [0,2,0,0,0,0|2,0,0]=4 24848 B13R1.15 C[C@@H](CO)COc1cccc(n1)F 34a_100011432558_100000059175 [0,2,0,0,0,0|2,0,0]=4 24849 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)Cl 62a_100000059175_100010167805 [0,2,0,0,0,0|2,0,0]=4 24850 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)Cl 62a_100010167805_100000059175 [0,2,0,0,0,0|2,0,0]=4 24851 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)F 62a_100000059175_100000764206 [0,2,0,0,0,0|2,0,0]=4 24852 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)F 62a_100000764206_100000059175 [0,2,0,0,0,0|2,0,0]=4 24853 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)N 62a_100000059175_100009814236 [0,2,0,0,0,0|2,0,0]=4 24854 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)N 62a_100009814236_100000059175 [0,2,0,0,0,0|2,0,0]=4 24855 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)O 62a_100000059175_100000762945 [0,2,0,0,0,0|2,0,0]=4 24856 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Br 62a_100000059175_100000684672 [0,2,0,0,0,0|2,0,0]=4 24857 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Br 62a_100000684672_100000059175 [0,2,0,0,0,0|2,0,0]=4 24858 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Cl 62a_100000051397_100000059175 [0,2,0,0,0,0|2,0,0]=4 24859 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Cl 62a_100000059175_100000051397 [0,2,0,0,0,0|2,0,0]=4 24860 B13R1.15 C[C@@H](CO)CSc1cccc(n1)F 62a_100000059175_100009815982 [0,2,0,0,0,0|2,0,0]=4 24861 B13R1.15 C[C@@H](CO)CSc1cccc(n1)F 62a_100009815982_100000059175 [0,2,0,0,0,0|2,0,0]=4 24862 B13R1.15 C[C@@H](CO)CSc1cccc(n1)N 62a_100000059175_100000740741 [0,2,0,0,0,0|2,0,0]=4 24863 B13R1.15 C[C@@H](CO)CSc1cccc(n1)N 62a_100000740741_100000059175 [0,2,0,0,0,0|2,0,0]=4 24864 B13R1.15 C[C@H](CF)NCc1cc(ccn1)Br 270004a_100102880703_100009818557 [0,2,0,0,0,0|2,0,0]=4 24865 B13R1.15 C[C@H](CF)NCc1cc(ccn1)Cl 270004a_100102880703_100011998288 [0,2,0,0,0,0|2,0,0]=4 24866 B13R1.15 C[C@H](CF)NCc1cccc(n1)Br 270004a_100102880703_100000688028 [0,2,0,0,0,0|2,0,0]=4 24867 B13R1.15 C[C@H](CF)NCc1cccc(n1)Cl 270004a_100102880703_100011361687 [0,2,0,0,0,0|2,0,0]=4 24868 B13R1.15 C[C@H](CF)NCc1cccc(n1)F 270004a_100102880703_100000050434 [0,2,0,0,0,0|2,0,0]=4 24869 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 2230a_100000737577_100010173614 [0,2,0,0,0,0|2,0,0]=4 24870 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 270004a_100000737577_100009818557 [0,2,0,0,0,0|2,0,0]=4 24871 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 2230a_100000737577_100016988179 [0,2,0,0,0,0|2,0,0]=4 24872 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 270004a_100000737577_100011998288 [0,2,0,0,0,0|2,0,0]=4 24873 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 2230a_100000737577_100009889011 [0,2,0,0,0,0|2,0,0]=4 24874 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 270004a_100000737577_100000688028 [0,2,0,0,0,0|2,0,0]=4 24875 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 2230a_100000737577_100000086093 [0,2,0,0,0,0|2,0,0]=4 24876 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 270004a_100000737577_100011361687 [0,2,0,0,0,0|2,0,0]=4 24877 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 2230a_100000737577_100009819644 [0,2,0,0,0,0|2,0,0]=4 24878 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 270004a_100000737577_100000050434 [0,2,0,0,0,0|2,0,0]=4 24879 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Br 62a_100010173614_100016084084 [0,2,0,0,0,0|2,0,0]=4 24880 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Br 62a_100016084084_100010173614 [0,2,0,0,0,0|2,0,0]=4 24881 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Cl 62a_100016084084_100016988179 [0,2,0,0,0,0|2,0,0]=4 24882 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Cl 62a_100016988179_100016084084 [0,2,0,0,0,0|2,0,0]=4 24883 B13R1.15 C[C@H](CO)SCc1cccc(n1)Br 62a_100009889011_100016084084 [0,2,0,0,0,0|2,0,0]=4 24884 B13R1.15 C[C@H](CO)SCc1cccc(n1)Br 62a_100016084084_100009889011 [0,2,0,0,0,0|2,0,0]=4 24885 B13R1.15 C[C@H](CO)SCc1cccc(n1)Cl 62a_100000086093_100016084084 [0,2,0,0,0,0|2,0,0]=4 24886 B13R1.15 C[C@H](CO)SCc1cccc(n1)Cl 62a_100016084084_100000086093 [0,2,0,0,0,0|2,0,0]=4 24887 B13R1.15 C[C@H](CO)SCc1cccc(n1)F 62a_100009819644_100016084084 [0,2,0,0,0,0|2,0,0]=4 24888 B13R1.15 C[C@H](CO)SCc1cccc(n1)F 62a_100016084084_100009819644 [0,2,0,0,0,0|2,0,0]=4 24889 B13R1.15 Cc1cccc(n1)CNC(C)CO 34a_100000701342_100012180447 [0,2,0,0,0,0|2,0,0]=4 24890 B13R1.15 Cc1cccc(n1)CN[C@H](C)CF 207a_100102880703_100011215050 [0,2,0,0,0,0|2,0,0]=4 24891 B13R1.15 Cc1cccc(n1)CN[C@H](C)CF 270004a_100102880703_100011215050 [0,2,0,0,0,0|2,0,0]=4 24892 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 207a_100000737577_100011215050 [0,2,0,0,0,0|2,0,0]=4 24893 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 2230a_100000737577_100000757606 [0,2,0,0,0,0|2,0,0]=4 24894 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 270004a_100000737577_100011215050 [0,2,0,0,0,0|2,0,0]=4 24895 B13R1.15 Cc1cccc(n1)COC(C)CF 34a_100016041109_100000757606 [0,2,0,0,0,0|2,0,0]=4 24896 B13R1.15 Cc1cccc(n1)COC(C)CF 7a_100016041109_100000757606 [0,2,0,0,0,0|2,0,0]=4 24897 B13R1.15 Cc1cccc(n1)COC(C)CN 34a_100000210904_100000757606 [0,2,0,0,0,0|2,0,0]=4 24898 B13R1.15 Cc1cccc(n1)COC(C)CO 34a_100000690600_100012180447 [0,2,0,0,0,0|2,0,0]=4 24899 B13R1.15 Cc1cccc(n1)CSC(C)CO 62a_100012180447_100000757606 [0,2,0,0,0,0|2,0,0]=4 24900 B13R1.15 Cc1cccc(n1)CS[C@H](C)CO 62a_100000757606_100016084084 [0,2,0,0,0,0|2,0,0]=4 24901 B13R1.15 Cc1cccc(n1)CS[C@H](C)CO 62a_100016084084_100000757606 [0,2,0,0,0,0|2,0,0]=4 24902 B13R1.15 Cc1cccc(n1)SCC(O)CO 62a_100000742759_100011219619 [0,2,0,0,0,0|2,0,0]=4 24903 B13R1.15 Cc1cccc(n1)SCC(O)CO 62a_100011219619_100000742759 [0,2,0,0,0,0|2,0,0]=4 24904 B13R1.15 Cc1cccc(n1)SC[C@@H](C)CO 62a_100000059175_100000742759 [0,2,0,0,0,0|2,0,0]=4 24905 B13R1.15 Cc1cccc(n1)SC[C@@H](C)CO 62a_100000742759_100000059175 [0,2,0,0,0,0|2,0,0]=4 24906 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CF 62a_100000742759_100015614560 [0,2,0,0,0,0|2,0,0]=4 24907 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CF 62a_100015614560_100000742759 [0,2,0,0,0,0|2,0,0]=4 24908 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CO 62a_100000742759_100009815848 [0,2,0,0,0,0|2,0,0]=4 24909 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CO 62a_100009815848_100000742759 [0,2,0,0,0,0|2,0,0]=4 24910 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CF 207a_100102880703_100011361488 [0,2,0,0,0,0|2,0,0]=4 24911 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CF 270004a_100102880703_100011361488 [0,2,0,0,0,0|2,0,0]=4 24912 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 207a_100000737577_100011361488 [0,2,0,0,0,0|2,0,0]=4 24913 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 2230a_100000737577_100000718516 [0,2,0,0,0,0|2,0,0]=4 24914 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 270004a_100000737577_100011361488 [0,2,0,0,0,0|2,0,0]=4 24915 B13R1.15 Cc1ccnc(c1)COC(C)CF 34a_100016041109_100000718516 [0,2,0,0,0,0|2,0,0]=4 24916 B13R1.15 Cc1ccnc(c1)COC(C)CF 7a_100016041109_100000718516 [0,2,0,0,0,0|2,0,0]=4 24917 B13R1.15 Cc1ccnc(c1)COC(C)CN 34a_100000210904_100000718516 [0,2,0,0,0,0|2,0,0]=4 24918 B13R1.15 Cc1ccnc(c1)COC(C)CO 34a_100011998357_100012180447 [0,2,0,0,0,0|2,0,0]=4 24919 B13R1.15 Cc1ccnc(c1)CSC(C)CO 62a_100012180447_100000718516 [0,2,0,0,0,0|2,0,0]=4 24920 B13R1.15 Cc1ccnc(c1)CS[C@H](C)CO 62a_100000718516_100016084084 [0,2,0,0,0,0|2,0,0]=4 24921 B13R1.15 Cc1ccnc(c1)CS[C@H](C)CO 62a_100016084084_100000718516 [0,2,0,0,0,0|2,0,0]=4 24922 B13R1.15 Cc1ccnc(c1)SCC(O)CO 62a_100000750283_100011219619 [0,2,0,0,0,0|2,0,0]=4 24923 B13R1.15 Cc1ccnc(c1)SCC(O)CO 62a_100011219619_100000750283 [0,2,0,0,0,0|2,0,0]=4 24924 B13R1.15 Cc1ccnc(c1)SC[C@@H](C)CO 62a_100000059175_100000750283 [0,2,0,0,0,0|2,0,0]=4 24925 B13R1.15 Cc1ccnc(c1)SC[C@@H](C)CO 62a_100000750283_100000059175 [0,2,0,0,0,0|2,0,0]=4 24926 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CF 62a_100000750283_100015614560 [0,2,0,0,0,0|2,0,0]=4 24927 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CF 62a_100015614560_100000750283 [0,2,0,0,0,0|2,0,0]=4 24928 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CO 62a_100000750283_100009815848 [0,2,0,0,0,0|2,0,0]=4 24929 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CO 62a_100009815848_100000750283 [0,2,0,0,0,0|2,0,0]=4 24930 B13R1.15 Nc1cccc(n1)SCC(O)CO 62a_100000740741_100011219619 [0,2,0,0,0,0|2,0,0]=4 24931 B13R1.15 Nc1cccc(n1)SCC(O)CO 62a_100011219619_100000740741 [0,2,0,0,0,0|2,0,0]=4 24932 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CF 62a_100000740741_100015614560 [0,2,0,0,0,0|2,0,0]=4 24933 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CF 62a_100015614560_100000740741 [0,2,0,0,0,0|2,0,0]=4 24934 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CO 62a_100000740741_100009815848 [0,2,0,0,0,0|2,0,0]=4 24935 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CO 62a_100009815848_100000740741 [0,2,0,0,0,0|2,0,0]=4 24936 B13R1.15 Nc1ccnc(c1)SCC(O)CO 62a_100009814236_100011219619 [0,2,0,0,0,0|2,0,0]=4 24937 B13R1.15 Nc1ccnc(c1)SCC(O)CO 62a_100011219619_100009814236 [0,2,0,0,0,0|2,0,0]=4 24938 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CF 62a_100009814236_100015614560 [0,2,0,0,0,0|2,0,0]=4 24939 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CF 62a_100015614560_100009814236 [0,2,0,0,0,0|2,0,0]=4 24940 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CO 62a_100009814236_100009815848 [0,2,0,0,0,0|2,0,0]=4 24941 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CO 62a_100009815848_100009814236 [0,2,0,0,0,0|2,0,0]=4 24942 B13R1.15 OCC(O)COc1cccc(n1)F 34a_100011432558_100011219619 [0,2,0,0,0,0|2,0,0]=4 24943 B13R1.15 OCC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011219619 [0,2,0,0,0,0|2,0,0]=4 24944 B13R1.15 OCC(O)CSc1cc(ccn1)Cl 62a_100011219619_100010167805 [0,2,0,0,0,0|2,0,0]=4 24945 B13R1.15 OCC(O)CSc1cc(ccn1)F 62a_100000764206_100011219619 [0,2,0,0,0,0|2,0,0]=4 24946 B13R1.15 OCC(O)CSc1cc(ccn1)F 62a_100011219619_100000764206 [0,2,0,0,0,0|2,0,0]=4 24947 B13R1.15 OCC(O)CSc1cc(ccn1)O 62a_100011219619_100000762945 [0,2,0,0,0,0|2,0,0]=4 24948 B13R1.15 OCC(O)CSc1cccc(n1)Br 62a_100000684672_100011219619 [0,2,0,0,0,0|2,0,0]=4 24949 B13R1.15 OCC(O)CSc1cccc(n1)Br 62a_100011219619_100000684672 [0,2,0,0,0,0|2,0,0]=4 24950 B13R1.15 OCC(O)CSc1cccc(n1)Cl 62a_100000051397_100011219619 [0,2,0,0,0,0|2,0,0]=4 24951 B13R1.15 OCC(O)CSc1cccc(n1)Cl 62a_100011219619_100000051397 [0,2,0,0,0,0|2,0,0]=4 24952 B13R1.15 OCC(O)CSc1cccc(n1)F 62a_100009815982_100011219619 [0,2,0,0,0,0|2,0,0]=4 24953 B13R1.15 OCC(O)CSc1cccc(n1)F 62a_100011219619_100009815982 [0,2,0,0,0,0|2,0,0]=4 24954 B13R1.15 OC[C@@H](O)CNc1cc(ccn1)F 27a_100020644852_100000764206 [0,2,0,0,0,0|2,0,0]=4 24955 B13R1.15 OC[C@@H](O)CNc1cccc(n1)F 27a_100020644852_100009815982 [0,2,0,0,0,0|2,0,0]=4 24956 B13R1.15 OC[C@H](F)CNc1cc(ccn1)F 27a_100015665980_100000764206 [0,2,0,0,0,0|2,0,0]=4 24957 B13R1.15 OC[C@H](F)CNc1cccc(n1)F 27a_100015665980_100009815982 [0,2,0,0,0,0|2,0,0]=4 24958 B13R1.15 OC[C@H](O)COc1cccc(n1)F 34a_100011432558_100009815848 [0,2,0,0,0,0|2,0,0]=4 24959 B13R1.15 OC[C@H](O)CSc1cc(ccn1)Cl 62a_100009815848_100010167805 [0,2,0,0,0,0|2,0,0]=4 24960 B13R1.15 OC[C@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009815848 [0,2,0,0,0,0|2,0,0]=4 24961 B13R1.15 OC[C@H](O)CSc1cc(ccn1)F 62a_100000764206_100009815848 [0,2,0,0,0,0|2,0,0]=4 24962 B13R1.15 OC[C@H](O)CSc1cc(ccn1)F 62a_100009815848_100000764206 [0,2,0,0,0,0|2,0,0]=4 24963 B13R1.15 OC[C@H](O)CSc1cc(ccn1)O 62a_100009815848_100000762945 [0,2,0,0,0,0|2,0,0]=4 24964 B13R1.15 OC[C@H](O)CSc1cccc(n1)Br 62a_100000684672_100009815848 [0,2,0,0,0,0|2,0,0]=4 24965 B13R1.15 OC[C@H](O)CSc1cccc(n1)Br 62a_100009815848_100000684672 [0,2,0,0,0,0|2,0,0]=4 24966 B13R1.15 OC[C@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009815848 [0,2,0,0,0,0|2,0,0]=4 24967 B13R1.15 OC[C@H](O)CSc1cccc(n1)Cl 62a_100009815848_100000051397 [0,2,0,0,0,0|2,0,0]=4 24968 B13R1.15 OC[C@H](O)CSc1cccc(n1)F 62a_100009815848_100009815982 [0,2,0,0,0,0|2,0,0]=4 24969 B13R1.15 OC[C@H](O)CSc1cccc(n1)F 62a_100009815982_100009815848 [0,2,0,0,0,0|2,0,0]=4 24970 B13R1.15 O[C@@H](CF)COc1cccc(n1)F 34a_100011432558_100015614560 [0,2,0,0,0,0|2,0,0]=4 24971 B13R1.15 O[C@@H](CF)CSc1cc(ccn1)Cl 62a_100010167805_100015614560 [0,2,0,0,0,0|2,0,0]=4 24972 B13R1.15 O[C@@H](CF)CSc1cc(ccn1)Cl 62a_100015614560_100010167805 [0,2,0,0,0,0|2,0,0]=4 24973 B13R1.15 O[C@@H](CF)CSc1cc(ccn1)F 62a_100000764206_100015614560 [0,2,0,0,0,0|2,0,0]=4 24974 B13R1.15 O[C@@H](CF)CSc1cc(ccn1)F 62a_100015614560_100000764206 [0,2,0,0,0,0|2,0,0]=4 24975 B13R1.15 O[C@@H](CF)CSc1cccc(n1)Br 62a_100000684672_100015614560 [0,2,0,0,0,0|2,0,0]=4 24976 B13R1.15 O[C@@H](CF)CSc1cccc(n1)Br 62a_100015614560_100000684672 [0,2,0,0,0,0|2,0,0]=4 24977 B13R1.15 O[C@@H](CF)CSc1cccc(n1)Cl 62a_100000051397_100015614560 [0,2,0,0,0,0|2,0,0]=4 24978 B13R1.15 O[C@@H](CF)CSc1cccc(n1)Cl 62a_100015614560_100000051397 [0,2,0,0,0,0|2,0,0]=4 24979 B13R1.15 O[C@@H](CF)CSc1cccc(n1)F 62a_100009815982_100015614560 [0,2,0,0,0,0|2,0,0]=4 24980 B13R1.15 O[C@@H](CF)CSc1cccc(n1)F 62a_100015614560_100009815982 [0,2,0,0,0,0|2,0,0]=4 24981 B13R1.15 Oc1ccnc(c1)SC[C@@H](O)CF 62a_100015614560_100000762945 [0,2,0,0,0,0|2,0,0]=4 24982 B13R1.135 CC(CO)N(C)Cc1ccccn1 2230a_100000207498_100012180447 [0,2,0,0,0,0|2,0,0]=4 24983 B13R1.135 CC(CO)N(C)Cc1ccccn1 2230a_100000693034_100000721315 [0,2,0,0,0,0|2,0,0]=4 24984 B13R1.135 CC(CO)N(C)Cc1ccccn1 269982a_100000693034_100000721315 [0,2,0,0,0,0|2,0,0]=4 24985 B13R1.135 CC(CO)N(C)Cc1ccccn1 270004a_100000693034_100000209966 [0,2,0,0,0,0|2,0,0]=4 24986 B13R1.135 CC(Cc1ccccn1)C(=O)CF 1458a_100012000792_100015361967 [0,2,0,0,0,0|1,0,1]=4 24987 B13R1.135 CC(Cc1ccccn1)N(C)CF 269982a_200011351704_100015361967 [0,2,0,0,0,0|2,0,0]=4 24988 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,2,0,0,0,0|1,0,1]=4 24989 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,2,0,0,0,0|1,0,1]=4 24990 B13R1.135 CCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210202 [0,2,0,0,0,0|0,0,1]=3 24991 B13R1.135 CCC(=O)C(C)Sc1ccccn1 1458a_100000156770_100000210202 [0,2,0,0,0,0|1,0,1]=4 24992 B13R1.135 CCC(=O)C(C)Sc1ccccn1 62a_100000742827_100011216584 [0,2,0,0,0,0|1,0,1]=4 24993 B13R1.135 CCC(=O)C(C)Sc1ccccn1 62a_100011216584_100000742827 [0,2,0,0,0,0|1,0,1]=4 24994 B13R1.135 CCC(=O)N(C)Cc1ccccn1 11a_100000207498_100000210414 [0,2,0,0,0,0|1,0,1]=4 24995 B13R1.135 CCC(=O)N(C)Cc1ccccn1 240690a_100000207498_100000210414 [0,2,0,0,0,0|1,0,1]=4 24996 B13R1.135 CCC(=O)N(C)Cc1ccccn1 527a_100000207498_100000210414 [0,2,0,0,0,0|1,0,1]=4 24997 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,2,0,0,0,0|1,0,1]=4 24998 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,2,0,0,0,0|1,0,1]=4 24999 B13R1.135 CCC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000758301 [0,2,0,0,0,0|0,0,1]=3 25000 B13R1.135 CCC(C)C(=O)Cc1ccccn1 1458a_100011192722_100000721315 [0,2,0,0,0,0|0,0,1]=3 25001 B13R1.135 CCC(C)C(=O)Cc1cccnn1 1458a_100011192722_100016990269 [0,2,0,0,0,0|1,0,1]=4 25002 B13R1.135 CCC(C)C(=O)Cc1cnccn1 1458a_100011192722_100016995436 [0,2,0,0,0,0|1,0,1]=4 25003 B13R1.135 CCC(C)C(=O)Cc1ncccn1 1458a_100011192722_100000703007 [0,2,0,0,0,0|1,0,1]=4 25004 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,2,0,0,0,0|2,0,0]=4 25005 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,2,0,0,0,0|2,0,0]=4 25006 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,2,0,0,0,0|2,0,0]=4 25007 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,2,0,0,0,0|2,0,0]=4 25008 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,2,0,0,0,0|2,0,0]=4 25009 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,2,0,0,0,0|2,0,0]=4 25010 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,2,0,0,0,0|2,0,0]=4 25011 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_100000207498_100000758301 [0,2,0,0,0,0|1,0,0]=3 25012 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_100000741768_100000721315 [0,2,0,0,0,0|1,0,0]=3 25013 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_200000199859_200000210301 [0,2,0,0,0,0|1,0,0]=3 25014 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_100000207498_100000758301 [0,2,0,0,0,0|1,0,0]=3 25015 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_100000741768_100000721315 [0,2,0,0,0,0|1,0,0]=3 25016 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_200000199859_200000210301 [0,2,0,0,0,0|1,0,0]=3 25017 B13R1.135 CCC(C)N(C)Cc1ccccn1 270004a_100000741768_100000209966 [0,2,0,0,0,0|1,0,0]=3 25018 B13R1.135 CCC(C)N(C)Cc1cccnn1 2230a_100000741768_100016990269 [0,2,0,0,0,0|2,0,0]=4 25019 B13R1.135 CCC(C)N(C)Cc1cnccn1 2230a_100000741768_100016995436 [0,2,0,0,0,0|2,0,0]=4 25020 B13R1.135 CCC(C)N(C)Cc1cnccn1 2230a_100011269079_100000758301 [0,2,0,0,0,0|2,0,0]=4 25021 B13R1.135 CCC(C)N(C)Cc1cnccn1 269982a_100000741768_100016995436 [0,2,0,0,0,0|2,0,0]=4 25022 B13R1.135 CCC(C)N(C)Cc1cnccn1 269982a_100011269079_100000758301 [0,2,0,0,0,0|2,0,0]=4 25023 B13R1.135 CCC(C)N(C)Cc1cnccn1 270004a_100000741768_100000749867 [0,2,0,0,0,0|2,0,0]=4 25024 B13R1.135 CCC(C)N(C)Cc1ncccn1 2230a_100000741768_100000703007 [0,2,0,0,0,0|2,0,0]=4 25025 B13R1.135 CCC(C)N(C)Cc1ncccn1 2230a_100025716638_100000758301 [0,2,0,0,0,0|2,0,0]=4 25026 B13R1.135 CCC(C)N(C)Cc1ncccn1 269982a_100000741768_100000703007 [0,2,0,0,0,0|2,0,0]=4 25027 B13R1.135 CCC(C)N(C)Cc1ncccn1 269982a_100025716638_100000758301 [0,2,0,0,0,0|2,0,0]=4 25028 B13R1.135 CCC(C)N(C)Cc1ncccn1 270004a_100000741768_100011532527 [0,2,0,0,0,0|2,0,0]=4 25029 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,2,0,0,0,0|2,0,0]=4 25030 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,2,0,0,0,0|2,0,0]=4 25031 B13R1.135 CCC(C)N([13CH3])Cc1ccccn1 2230a_200000199859_200025704644 [0,2,0,0,0,0|1,0,0]=3 25032 B13R1.135 CCC(C)N([13CH3])Cc1ccccn1 269982a_200000199859_200025704644 [0,2,0,0,0,0|1,0,0]=3 25033 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,2,0,0,0,0|1,0,1]=4 25034 B13R1.135 CCC(O)C(=O)Cc1ccccn1 1458a_100011196387_100000721315 [0,2,0,0,0,0|0,0,1]=3 25035 B13R1.135 CCC(O)C(=O)Cc1cccnn1 1458a_100011196387_100016990269 [0,2,0,0,0,0|1,0,1]=4 25036 B13R1.135 CCC(O)C(=O)Cc1cnccn1 1458a_100011196387_100016995436 [0,2,0,0,0,0|1,0,1]=4 25037 B13R1.135 CCC(O)C(=O)Cc1ncccn1 1458a_100011196387_100000703007 [0,2,0,0,0,0|1,0,1]=4 25038 B13R1.135 CCN(C)C(=O)Cc1ccccn1 11a_100000225621_100000233486 [0,2,0,0,0,0|1,0,1]=4 25039 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,2,0,0,0,0|2,0,0]=4 25040 B13R1.135 CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210202 [0,2,0,0,0,0|1,0,0]=3 25041 B13R1.135 CCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000204670 [0,2,0,0,0,0|1,0,0]=3 25042 B13R1.135 CNC(=O)C(C)Cc1ccccn1 1626a_100102657272_100012000792 [0,2,0,0,0,0|1,0,1]=4 25043 B13R1.135 CNC(=O)C(C)Cc1ccccn1 240690a_100102657272_100012000792 [0,2,0,0,0,0|1,0,1]=4 25044 B13R1.135 CNC(=O)C(C)Cc1ccccn1 527a_100102657272_100012000792 [0,2,0,0,0,0|1,0,1]=4 25045 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,2,0,0,0,0|2,0,0]=4 25046 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,2,0,0,0,0|2,0,0]=4 25047 B13R1.135 COC(C)C(=O)Cc1ccccn1 1458a_100000743197_100000721315 [0,2,0,0,0,0|1,0,1]=4 25048 B13R1.135 COC(C)N(C)Cc1ccccn1 269982a_100000207498_100009879195 [0,2,0,0,0,0|2,0,0]=4 25049 B13R1.135 CSC(C)C(=O)Cc1ccccn1 1458a_100000149566_100000721315 [0,2,0,0,0,0|1,0,1]=4 25050 B13R1.135 C[C@H](CO)N(C)Cc1ccccn1 269982a_100000207498_100016084084 [0,2,0,0,0,0|2,0,0]=4 25051 B13R1.135 O=C(Cc1ccccn1)C(O)CO 1458a_100011215603_100000721315 [0,2,0,0,0,0|1,0,1]=4 25052 B13R1.254 CC(C)(CCc1ccccc1)O[13CH3] 7a_100000750528_200025704644 [0,2,0,0,0,0|2,0,0]=4 25053 B13R1.254 CC(C)(CCl)OCc1ccccn1 7a_100000764493_100000721315 [0,2,0,0,0,0|2,0,0]=4 25054 B13R1.254 CC(C)(CO)CSc1ccccn1 62a_100009813988_100011216584 [0,2,0,0,0,0|2,0,0]=4 25055 B13R1.254 CC(C)(CO)CSc1ccccn1 62a_100011216584_100009813988 [0,2,0,0,0,0|2,0,0]=4 25056 B13R1.254 CC(C)(CO)NCc1ccccn1 207a_100000210608_100000209966 [0,2,0,0,0,0|2,0,0]=4 25057 B13R1.254 CC(C)(CO)NCc1ccccn1 2230a_100000210608_100000721315 [0,2,0,0,0,0|2,0,0]=4 25058 B13R1.254 CC(C)(CO)NCc1ccccn1 270004a_100000210608_100000209966 [0,2,0,0,0,0|2,0,0]=4 25059 B13R1.254 CCC(C)(C)NCc1ccccc1 207a_100000211385_100015611070 [0,2,0,0,0,0|2,0,0]=4 25060 B13R1.254 CCC(C)(C)NCc1ccccc1 2230a_100000211385_100015291786 [0,2,0,0,0,0|2,0,0]=4 25061 B13R1.254 CCC(C)(C)NCc1ccccc1 270004a_100000211385_100015611070 [0,2,0,0,0,0|2,0,0]=4 25062 B13R1.254 CCC(C)(C)NCc1ccccn1 207a_100000211385_100000209966 [0,2,0,0,0,0|1,0,0]=3 25063 B13R1.254 CCC(C)(C)NCc1ccccn1 2230a_100000211385_100000721315 [0,2,0,0,0,0|1,0,0]=3 25064 B13R1.254 CCC(C)(C)NCc1ccccn1 270004a_100000211385_100000209966 [0,2,0,0,0,0|1,0,0]=3 25065 B13R1.254 CCC(C)(C)NCc1cccnn1 2230a_100000211385_100016990269 [0,2,0,0,0,0|2,0,0]=4 25066 B13R1.254 CCC(C)(C)NCc1cnccn1 2230a_100000211385_100016995436 [0,2,0,0,0,0|2,0,0]=4 25067 B13R1.254 CCC(C)(C)NCc1cnccn1 270004a_100000211385_100000749867 [0,2,0,0,0,0|2,0,0]=4 25068 B13R1.254 CCC(C)(C)NCc1ncccn1 2230a_100000211385_100000703007 [0,2,0,0,0,0|2,0,0]=4 25069 B13R1.254 CCC(C)(C)NCc1ncccn1 270004a_100000211385_100011532527 [0,2,0,0,0,0|2,0,0]=4 25070 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210230_100000211182 [0,2,0,0,0,0|2,0,0]=4 25071 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210790_100000210677 [0,2,0,0,0,0|2,0,0]=4 25072 B13R1.254 CCC(C)(C)OCc1ccccn1 7a_100000210230_100000721315 [0,2,0,0,0,0|1,0,0]=3 25073 B13R1.254 CCC(C)(C)OCc1cccnn1 7a_100000210230_100016990269 [0,2,0,0,0,0|2,0,0]=4 25074 B13R1.254 CCC(C)(C)OCc1cnccn1 7a_100000210230_100016995436 [0,2,0,0,0,0|2,0,0]=4 25075 B13R1.254 CCC(C)(C)OCc1ncccn1 7a_100000210230_100000703007 [0,2,0,0,0,0|2,0,0]=4 25076 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000032637_100015291786 [0,2,0,0,0,0|2,0,0]=4 25077 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000211182_100000032637 [0,2,0,0,0,0|2,0,0]=4 25078 B13R1.254 CCC(C)(C)SCc1ccccn1 62a_100000032637_100000721315 [0,2,0,0,0,0|1,0,0]=3 25079 B13R1.254 CCC(C)(C)SCc1ccccn1 62a_100000721315_100000032637 [0,2,0,0,0,0|1,0,0]=3 25080 B13R1.254 CCC(C)(C)SCc1cccnn1 62a_100000032637_100016990269 [0,2,0,0,0,0|2,0,0]=4 25081 B13R1.254 CCC(C)(C)SCc1cccnn1 62a_100016990269_100000032637 [0,2,0,0,0,0|2,0,0]=4 25082 B13R1.254 CCC(C)(C)SCc1cnccn1 62a_100000032637_100016995436 [0,2,0,0,0,0|2,0,0]=4 25083 B13R1.254 CCC(C)(C)SCc1cnccn1 62a_100016995436_100000032637 [0,2,0,0,0,0|2,0,0]=4 25084 B13R1.254 CCC(C)(C)SCc1ncccn1 62a_100000032637_100000703007 [0,2,0,0,0,0|2,0,0]=4 25085 B13R1.254 CCC(C)(C)SCc1ncccn1 62a_100000703007_100000032637 [0,2,0,0,0,0|2,0,0]=4 25086 B13R1.254 CCS(=O)(=O)NCc1ccccn1 270084a_100000210449_100000211323 [0,2,0,0,0,0|2,0,0]=4 25087 B13R1.254 CCS(=O)(=O)NCc1ccccn1 274078a_100000210449_100000211323 [0,2,0,0,0,0|2,0,0]=4 25088 B13R1.254 CCS(=O)(=O)NCc1ccccn1 40a_100000210449_100000053943 [0,2,0,0,0,0|2,0,0]=4 25089 B13R1.254 COC(C)(C)CCc1ccccc1 7a_100000750528_200000210301 [0,2,0,0,0,0|2,0,0]=4 25090 B13R1.254 COC(C)(C)CSc1ccccn1 62a_100000701081_100011216584 [0,2,0,0,0,0|2,0,0]=4 25091 B13R1.254 COC(C)(C)CSc1ccccn1 62a_100011216584_100000701081 [0,2,0,0,0,0|2,0,0]=4 25092 B13R1.254 OCC(F)(F)SCc1ccccn1 62a_100000721315_100011217949 [0,2,0,0,0,0|2,0,0]=4 25093 B13R1.254 OCC(F)(F)SCc1ccccn1 62a_100011217949_100000721315 [0,2,0,0,0,0|2,0,0]=4 25094 B13R1.351 C=C(C)C(=O)CCc1ccccn1 1458a_100000185857_100015183660 [0,2,0,0,0,0|0,0,2]=4 25095 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,2,0,0,0,0|1,0,1]=4 25096 B13R1.351 CC(=O)C(C)OCc1ccccn1 34a_100000212229_100000721315 [0,2,0,0,0,0|1,0,1]=4 25097 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100000721315_100009814033 [0,2,0,0,0,0|1,0,1]=4 25098 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100009814033_100000721315 [0,2,0,0,0,0|1,0,1]=4 25099 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,2,0,0,0,0|1,0,1]=4 25100 B13R1.351 CC(=O)N(C)CCc1ccccn1 11a_100000737206_100015343762 [0,2,0,0,0,0|1,0,1]=4 25101 B13R1.351 CC(=O)N(C)CCc1ccccn1 1626a_100000737206_100015343762 [0,2,0,0,0,0|1,0,1]=4 25102 B13R1.351 CC(=O)N(C)CCc1ccccn1 240690a_100000737206_100015343762 [0,2,0,0,0,0|1,0,1]=4 25103 B13R1.351 CC(=O)N(C)CCc1ccccn1 527a_100000737206_100103153847 [0,2,0,0,0,0|1,0,1]=4 25104 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000210206 [0,2,0,0,0,0|1,0,1]=4 25105 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000210198_100000765856 [0,2,0,0,0,0|1,0,1]=4 25106 B13R1.351 CC(C)C(=O)CCc1ccccn1 1458a_100000210198_100015183660 [0,2,0,0,0,0|0,0,1]=3 25107 B13R1.351 CC(C)C(=O)CCc1ccccn1 1458a_100015195070_100000210206 [0,2,0,0,0,0|0,0,1]=3 25108 B13R1.351 CC(C)C(=O)COc1ccccn1 1458a_100102699861_100000210206 [0,2,0,0,0,0|1,0,1]=4 25109 B13R1.351 CC(C)C(=O)CSc1ccccn1 1458a_100000156281_100000210206 [0,2,0,0,0,0|1,0,1]=4 25110 B13R1.351 CC(C)C(=O)CSc1ccccn1 62a_100000753385_100011216584 [0,2,0,0,0,0|1,0,1]=4 25111 B13R1.351 CC(C)C(=O)CSc1ccccn1 62a_100011216584_100000753385 [0,2,0,0,0,0|1,0,1]=4 25112 B13R1.351 CC(C)C(=O)NCc1ccccn1 11a_100000210449_100000210198 [0,2,0,0,0,0|1,0,1]=4 25113 B13R1.351 CC(C)C(=O)NCc1ccccn1 1626a_100000210449_100000210198 [0,2,0,0,0,0|1,0,1]=4 25114 B13R1.351 CC(C)C(=O)NCc1ccccn1 240690a_100000210449_100000210198 [0,2,0,0,0,0|1,0,1]=4 25115 B13R1.351 CC(C)C(=O)NCc1ccccn1 527a_100000210449_100000210198 [0,2,0,0,0,0|1,0,1]=4 25116 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,2,0,0,0,0|2,0,0]=4 25117 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,2,0,0,0,0|2,0,0]=4 25118 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,2,0,0,0,0|2,0,0]=4 25119 B13R1.351 CC(C)C(C)NCc1ccccn1 207a_100000211541_100000209966 [0,2,0,0,0,0|1,0,0]=3 25120 B13R1.351 CC(C)C(C)NCc1ccccn1 2230a_100000211541_100000721315 [0,2,0,0,0,0|1,0,0]=3 25121 B13R1.351 CC(C)C(C)NCc1ccccn1 270004a_100000211541_100000209966 [0,2,0,0,0,0|1,0,0]=3 25122 B13R1.351 CC(C)C(C)NCc1cccnn1 2230a_100000211541_100016990269 [0,2,0,0,0,0|2,0,0]=4 25123 B13R1.351 CC(C)C(C)NCc1cnccn1 2230a_100000211541_100016995436 [0,2,0,0,0,0|2,0,0]=4 25124 B13R1.351 CC(C)C(C)NCc1cnccn1 270004a_100000211541_100000749867 [0,2,0,0,0,0|2,0,0]=4 25125 B13R1.351 CC(C)C(C)NCc1ncccn1 2230a_100000211541_100000703007 [0,2,0,0,0,0|2,0,0]=4 25126 B13R1.351 CC(C)C(C)NCc1ncccn1 270004a_100000211541_100011532527 [0,2,0,0,0,0|2,0,0]=4 25127 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,2,0,0,0,0|2,0,0]=4 25128 B13R1.351 CC(C)C(C)OCc1ccccn1 7a_100000748068_100000721315 [0,2,0,0,0,0|1,0,0]=3 25129 B13R1.351 CC(C)C(C)OCc1cccnn1 7a_100000748068_100016990269 [0,2,0,0,0,0|2,0,0]=4 25130 B13R1.351 CC(C)C(C)OCc1cnccn1 7a_100000748068_100016995436 [0,2,0,0,0,0|2,0,0]=4 25131 B13R1.351 CC(C)C(C)OCc1ncccn1 7a_100000748068_100000703007 [0,2,0,0,0,0|2,0,0]=4 25132 B13R1.351 CC(C)C(O)CNc1cccnn1 27a_100000759067_100016991348 [0,2,0,0,0,0|2,0,0]=4 25133 B13R1.351 CC(C)C(O)CNc1ccncn1 27a_100000759067_100000703185 [0,2,0,0,0,0|2,0,0]=4 25134 B13R1.351 CC(C)C(O)CNc1cnccn1 27a_100000759067_100000211759 [0,2,0,0,0,0|2,0,0]=4 25135 B13R1.351 CC(C)C(O)CNc1ncccn1 27a_100000759067_100000211032 [0,2,0,0,0,0|2,0,0]=4 25136 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000200190_200000210301 [0,2,0,0,0,0|2,0,0]=4 25137 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000207497_100000210206 [0,2,0,0,0,0|2,0,0]=4 25138 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000200190_200000210301 [0,2,0,0,0,0|2,0,0]=4 25139 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000207497_100000210206 [0,2,0,0,0,0|2,0,0]=4 25140 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_200000211004_100000765856 [0,2,0,0,0,0|2,0,0]=4 25141 B13R1.351 CC(C)N(C)CCc1ccccc1 34a_100000200190_200000210301 [0,2,0,0,0,0|2,0,0]=4 25142 B13R1.351 CC(C)N(C)CCc1ccccn1 2230a_100000737206_100000210206 [0,2,0,0,0,0|1,0,0]=3 25143 B13R1.351 CC(C)N(C)CCc1ccccn1 269982a_100000737206_100000210206 [0,2,0,0,0,0|1,0,0]=3 25144 B13R1.351 CC(C)N(C)CCc1ccccn1 269982a_200000211004_100015183660 [0,2,0,0,0,0|1,0,0]=3 25145 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 2230a_100000200190_200025704644 [0,2,0,0,0,0|2,0,0]=4 25146 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 269982a_100000200190_200025704644 [0,2,0,0,0,0|2,0,0]=4 25147 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 34a_100000200190_200025704644 [0,2,0,0,0,0|2,0,0]=4 25148 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,2,0,0,0,0|1,0,1]=4 25149 B13R1.351 CC(CCc1ccccc1)N(C)C 270004a_100102631434_100000210092 [0,2,0,0,0,0|2,0,0]=4 25150 B13R1.351 CC(F)C(=O)CCc1ccccc1 1458a_100000062450_100000765856 [0,2,0,0,0,0|1,0,1]=4 25151 B13R1.351 CC(F)C(=O)CCc1ccccn1 1458a_100000062450_100015183660 [0,2,0,0,0,0|0,0,1]=3 25152 B13R1.351 CC(F)C(=O)NCc1ccccn1 11a_100000210449_100000062450 [0,2,0,0,0,0|1,0,1]=4 25153 B13R1.351 CC(F)C(=O)NCc1ccccn1 1626a_100000210449_100000062450 [0,2,0,0,0,0|1,0,1]=4 25154 B13R1.351 CC(F)C(=O)NCc1ccccn1 240690a_100000210449_100000062450 [0,2,0,0,0,0|1,0,1]=4 25155 B13R1.351 CC(F)C(=O)NCc1ccccn1 527a_100000210449_100000062450 [0,2,0,0,0,0|1,0,1]=4 25156 B13R1.351 CN(C)C(=O)CCc1ccccn1 11a_100102631434_100015195070 [0,2,0,0,0,0|1,0,1]=4 25157 B13R1.351 CN(C)C(=O)CCc1ccccn1 240690a_100102631434_100015195070 [0,2,0,0,0,0|1,0,1]=4 25158 B13R1.351 CN(C)C(=O)CCc1ccccn1 271570a_200010232142_100011216584 [0,2,0,0,0,0|1,0,1]=4 25159 B13R1.351 CN(C)C(=O)CCc1ccccn1 527a_100102631434_100015195070 [0,2,0,0,0,0|1,0,1]=4 25160 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,2,0,0,0,0|1,0,1]=4 25161 B13R1.351 C[C@@H](O)C(=O)CCc1ccccn1 1458a_100000717761_100015183660 [0,2,0,0,0,0|0,0,1]=3 25162 B13R1.351 C[C@@H](O)C(=O)NCc1ccccn1 240690a_100000210449_100000717761 [0,2,0,0,0,0|1,0,1]=4 25163 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,2,0,0,0,0|1,0,1]=4 25164 B13R1.351 C[C@H](O)C(=O)CCc1ccccn1 1458a_217856618621_100015183660 [0,2,0,0,0,0|0,0,1]=3 25165 B13R1.351 C[C@H](O)C(=O)NCc1ccccn1 1626a_100000210449_217856618621 [0,2,0,0,0,0|1,0,1]=4 25166 B13R1.351 C[C@H](O)C(=O)NCc1ccccn1 240690a_100000210449_217856618621 [0,2,0,0,0,0|1,0,1]=4 25167 B13R1.351 O=C(CCc1ccccn1)C(O)O 1458a_100000233687_100015183660 [0,2,0,0,0,0|1,0,1]=4 25168 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,2,0,0,0,0|1,0,1]=4 25169 B13R1.417 C#CC(CC)OCc1ccccc1 34a_100000758843_100015291786 [0,2,0,0,0,0|2,0,0]=4 25170 B13R1.417 C#CC(CC)OCc1ccccc1 7a_100000758843_100000211182 [0,2,0,0,0,0|2,0,0]=4 25171 B13R1.417 C#CC(CC)OCc1ccccn1 34a_100000758843_100000721315 [0,2,0,0,0,0|1,0,0]=3 25172 B13R1.417 C#CC(CC)OCc1ccccn1 7a_100000758843_100000721315 [0,2,0,0,0,0|1,0,0]=3 25173 B13R1.417 C#CC(CC)OCc1cccnn1 34a_100000758843_100016990269 [0,2,0,0,0,0|2,0,0]=4 25174 B13R1.417 C#CC(CC)OCc1cccnn1 7a_100000758843_100016990269 [0,2,0,0,0,0|2,0,0]=4 25175 B13R1.417 C#CC(CC)OCc1cnccn1 34a_100000758843_100016995436 [0,2,0,0,0,0|2,0,0]=4 25176 B13R1.417 C#CC(CC)OCc1cnccn1 7a_100000758843_100016995436 [0,2,0,0,0,0|2,0,0]=4 25177 B13R1.417 C#CC(CC)OCc1ncccn1 34a_100000758843_100000703007 [0,2,0,0,0,0|2,0,0]=4 25178 B13R1.417 C#CC(CC)OCc1ncccn1 7a_100000758843_100000703007 [0,2,0,0,0,0|2,0,0]=4 25179 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,2,0,0,0,0|2,0,0]=4 25180 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,2,0,0,0,0|2,0,0]=4 25181 B13R1.417 C=CC(CC)OCc1ccccn1 34a_100000766422_100000721315 [0,2,0,0,0,0|1,0,0]=3 25182 B13R1.417 C=CC(CC)OCc1ccccn1 7a_100000766422_100000721315 [0,2,0,0,0,0|1,0,0]=3 25183 B13R1.417 C=CC(CC)OCc1cccnn1 34a_100000766422_100016990269 [0,2,0,0,0,0|2,0,0]=4 25184 B13R1.417 C=CC(CC)OCc1cccnn1 7a_100000766422_100016990269 [0,2,0,0,0,0|2,0,0]=4 25185 B13R1.417 C=CC(CC)OCc1cnccn1 34a_100000766422_100016995436 [0,2,0,0,0,0|2,0,0]=4 25186 B13R1.417 C=CC(CC)OCc1cnccn1 7a_100000766422_100016995436 [0,2,0,0,0,0|2,0,0]=4 25187 B13R1.417 C=CC(CC)OCc1ncccn1 34a_100000766422_100000703007 [0,2,0,0,0,0|2,0,0]=4 25188 B13R1.417 C=CC(CC)OCc1ncccn1 7a_100000766422_100000703007 [0,2,0,0,0,0|2,0,0]=4 25189 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 2230a_100016989147_100000721315 [0,2,0,0,0,0|2,0,0]=4 25190 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 270004a_100016989147_100000209966 [0,2,0,0,0,0|2,0,0]=4 25191 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 34a_100016989147_100000721315 [0,2,0,0,0,0|2,0,0]=4 25192 B13R1.417 CCC(CC)CNc1ccccc1 34a_100000106764_100011215472 [0,2,0,0,0,0|2,0,0]=4 25193 B13R1.417 CCC(CC)CNc1cccnn1 27a_100102946423_100016991348 [0,2,0,0,0,0|2,0,0]=4 25194 B13R1.417 CCC(CC)CNc1ccncn1 27a_100102946423_100000703185 [0,2,0,0,0,0|2,0,0]=4 25195 B13R1.417 CCC(CC)CNc1cnccn1 27a_100102946423_100000211759 [0,2,0,0,0,0|2,0,0]=4 25196 B13R1.417 CCC(CC)CNc1ncccn1 27a_100102946423_100000211032 [0,2,0,0,0,0|2,0,0]=4 25197 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [0,2,0,0,0,0|2,0,0]=4 25198 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [0,2,0,0,0,0|2,0,0]=4 25199 B13R1.417 CCC(CC)CSc1ccccc1 62a_100000719477_100011215472 [0,2,0,0,0,0|2,0,0]=4 25200 B13R1.417 CCC(CC)CSc1ccccc1 62a_100011215472_100000041952 [0,2,0,0,0,0|2,0,0]=4 25201 B13R1.417 CCC(CC)CSc1ccccn1 62a_100011215472_100011216584 [0,2,0,0,0,0|1,0,0]=3 25202 B13R1.417 CCC(CC)CSc1ccccn1 62a_100011216584_100011215472 [0,2,0,0,0,0|1,0,0]=3 25203 B13R1.417 CCC(CC)CSc1cccnn1 62a_100011215472_100016991348 [0,2,0,0,0,0|2,0,0]=4 25204 B13R1.417 CCC(CC)CSc1cccnn1 62a_100016991348_100011215472 [0,2,0,0,0,0|2,0,0]=4 25205 B13R1.417 CCC(CC)CSc1ccncn1 62a_100000703185_100011215472 [0,2,0,0,0,0|2,0,0]=4 25206 B13R1.417 CCC(CC)CSc1ccncn1 62a_100011215472_100000703185 [0,2,0,0,0,0|2,0,0]=4 25207 B13R1.417 CCC(CC)CSc1cnccn1 62a_100000211759_100011215472 [0,2,0,0,0,0|2,0,0]=4 25208 B13R1.417 CCC(CC)CSc1cnccn1 62a_100011215472_100000211759 [0,2,0,0,0,0|2,0,0]=4 25209 B13R1.417 CCC(CC)CSc1ncccn1 62a_100000211032_100011215472 [0,2,0,0,0,0|2,0,0]=4 25210 B13R1.417 CCC(CC)CSc1ncccn1 62a_100011215472_100000211032 [0,2,0,0,0,0|2,0,0]=4 25211 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,2,0,0,0,0|2,0,0]=4 25212 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,2,0,0,0,0|2,0,0]=4 25213 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,2,0,0,0,0|2,0,0]=4 25214 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,2,0,0,0,0|2,0,0]=4 25215 B13R1.417 CCC(CC)NCc1ccccn1 207a_100000199018_100000209966 [0,2,0,0,0,0|1,0,0]=3 25216 B13R1.417 CCC(CC)NCc1ccccn1 2230a_100000199018_100000721315 [0,2,0,0,0,0|1,0,0]=3 25217 B13R1.417 CCC(CC)NCc1ccccn1 270004a_100000199018_100000209966 [0,2,0,0,0,0|1,0,0]=3 25218 B13R1.417 CCC(CC)NCc1ccccn1 270004a_100000210449_100000210860 [0,2,0,0,0,0|1,0,0]=3 25219 B13R1.417 CCC(CC)NCc1cccnn1 2230a_100000199018_100016990269 [0,2,0,0,0,0|2,0,0]=4 25220 B13R1.417 CCC(CC)NCc1cnccn1 2230a_100000199018_100016995436 [0,2,0,0,0,0|2,0,0]=4 25221 B13R1.417 CCC(CC)NCc1cnccn1 270004a_100000199018_100000749867 [0,2,0,0,0,0|2,0,0]=4 25222 B13R1.417 CCC(CC)NCc1ncccn1 2230a_100000199018_100000703007 [0,2,0,0,0,0|2,0,0]=4 25223 B13R1.417 CCC(CC)NCc1ncccn1 270004a_100000199018_100011532527 [0,2,0,0,0,0|2,0,0]=4 25224 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,2,0,0,0,0|2,0,0]=4 25225 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,2,0,0,0,0|2,0,0]=4 25226 B13R1.417 CCC(CC)OCc1ccccn1 7a_100000688536_100000721315 [0,2,0,0,0,0|1,0,0]=3 25227 B13R1.417 CCC(CC)OCc1cccnn1 7a_100000688536_100016990269 [0,2,0,0,0,0|2,0,0]=4 25228 B13R1.417 CCC(CC)OCc1cnccn1 7a_100000688536_100016995436 [0,2,0,0,0,0|2,0,0]=4 25229 B13R1.417 CCC(CC)OCc1ncccn1 7a_100000688536_100000703007 [0,2,0,0,0,0|2,0,0]=4 25230 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,2,0,0,0,0|2,0,0]=4 25231 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,2,0,0,0,0|2,0,0]=4 25232 B13R1.417 CCC(CC)SCc1ccccn1 62a_100000210505_100000721315 [0,2,0,0,0,0|1,0,0]=3 25233 B13R1.417 CCC(CC)SCc1ccccn1 62a_100000721315_100000210505 [0,2,0,0,0,0|1,0,0]=3 25234 B13R1.417 CCC(CC)SCc1cccnn1 62a_100000210505_100016990269 [0,2,0,0,0,0|2,0,0]=4 25235 B13R1.417 CCC(CC)SCc1cccnn1 62a_100016990269_100000210505 [0,2,0,0,0,0|2,0,0]=4 25236 B13R1.417 CCC(CC)SCc1cnccn1 62a_100000210505_100016995436 [0,2,0,0,0,0|2,0,0]=4 25237 B13R1.417 CCC(CC)SCc1cnccn1 62a_100016995436_100000210505 [0,2,0,0,0,0|2,0,0]=4 25238 B13R1.417 CCC(CC)SCc1ncccn1 62a_100000210505_100000703007 [0,2,0,0,0,0|2,0,0]=4 25239 B13R1.417 CCC(CC)SCc1ncccn1 62a_100000703007_100000210505 [0,2,0,0,0,0|2,0,0]=4 25240 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,2,0,0,0,0|1,0,0]=3 25241 B13R1.417 CCC(CNc1cccnn1)OC 27a_100000731041_100016991348 [0,2,0,0,0,0|2,0,0]=4 25242 B13R1.417 CCC(CNc1ccncn1)OC 27a_100000731041_100000703185 [0,2,0,0,0,0|2,0,0]=4 25243 B13R1.417 CCC(CNc1cnccn1)OC 27a_100000731041_100000211759 [0,2,0,0,0,0|2,0,0]=4 25244 B13R1.417 CCC(CNc1ncccn1)OC 27a_100000731041_100000211032 [0,2,0,0,0,0|2,0,0]=4 25245 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000724800_100000765856 [0,2,0,0,0,0|2,0,0]=4 25246 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000741020_100000210202 [0,2,0,0,0,0|2,0,0]=4 25247 B13R1.417 CCN(CC)CCc1ccccc1 269956a_100000042499_100000765856 [0,2,0,0,0,0|2,0,0]=4 25248 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000724800_100000765856 [0,2,0,0,0,0|2,0,0]=4 25249 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000741020_100000204670 [0,2,0,0,0,0|2,0,0]=4 25250 B13R1.417 CCN(CC)CCc1ccccn1 2230a_100000227201_100000210202 [0,2,0,0,0,0|1,0,0]=3 25251 B13R1.417 CCN(CC)CCc1ccccn1 2230a_100000724800_100015183660 [0,2,0,0,0,0|1,0,0]=3 25252 B13R1.417 CCN(CC)CCc1ccccn1 269956a_100000042499_100015183660 [0,2,0,0,0,0|1,0,0]=3 25253 B13R1.417 CCN(CC)CCc1ccccn1 269982a_100000227201_100000204670 [0,2,0,0,0,0|1,0,0]=3 25254 B13R1.417 CCN(CC)CCc1ccccn1 269982a_100000724800_100015183660 [0,2,0,0,0,0|1,0,0]=3 25255 B13R1.417 CCN(CF)CCc1ccccc1 269982a_100000741020_100015361967 [0,2,0,0,0,0|2,0,0]=4 25256 B13R1.417 CCN(CF)CCc1ccccn1 269982a_100000227201_100015361967 [0,2,0,0,0,0|1,0,0]=3 25257 B13R1.417 CC[C@@H](CO)NCc1ccccc1 207a_100000709445_100015611070 [0,2,0,0,0,0|2,0,0]=4 25258 B13R1.417 CC[C@@H](CO)NCc1ccccc1 2230a_100000709445_100015291786 [0,2,0,0,0,0|2,0,0]=4 25259 B13R1.417 CC[C@@H](CO)NCc1ccccc1 270004a_100000709445_100015611070 [0,2,0,0,0,0|2,0,0]=4 25260 B13R1.417 CC[C@@H](CO)NCc1ccccn1 207a_100000709445_100000209966 [0,2,0,0,0,0|1,0,0]=3 25261 B13R1.417 CC[C@@H](CO)NCc1ccccn1 2230a_100000709445_100000721315 [0,2,0,0,0,0|1,0,0]=3 25262 B13R1.417 CC[C@@H](CO)NCc1ccccn1 270004a_100000709445_100000209966 [0,2,0,0,0,0|1,0,0]=3 25263 B13R1.417 CC[C@@H](CO)NCc1cccnn1 2230a_100000709445_100016990269 [0,2,0,0,0,0|2,0,0]=4 25264 B13R1.417 CC[C@@H](CO)NCc1cnccn1 2230a_100000709445_100016995436 [0,2,0,0,0,0|2,0,0]=4 25265 B13R1.417 CC[C@@H](CO)NCc1cnccn1 270004a_100000709445_100000749867 [0,2,0,0,0,0|2,0,0]=4 25266 B13R1.417 CC[C@@H](CO)NCc1ncccn1 2230a_100000709445_100000703007 [0,2,0,0,0,0|2,0,0]=4 25267 B13R1.417 CC[C@@H](CO)NCc1ncccn1 270004a_100000709445_100011532527 [0,2,0,0,0,0|2,0,0]=4 25268 B13R1.417 COC(CSc1ccccn1)OC 62a_100000751394_100011216584 [0,2,0,0,0,0|2,0,0]=4 25269 B13R1.417 COC(CSc1ccccn1)OC 62a_100011216584_100000751394 [0,2,0,0,0,0|2,0,0]=4 25270 B13R1.417 ClCC(CCl)OCc1ccccn1 7a_100000737055_100000721315 [0,2,0,0,0,0|2,0,0]=4 25271 B13R1.417 FCC(CF)OCc1ccccn1 34a_100000032261_100000721315 [0,2,0,0,0,0|2,0,0]=4 25272 B13R1.417 FCC(CF)OCc1ccccn1 7a_100000032261_100000721315 [0,2,0,0,0,0|2,0,0]=4 25273 B13R1.417 FC[C@@H](CCl)OCc1ccccn1 34a_100015614560_100000721315 [0,2,0,0,0,0|2,0,0]=4 25274 B13R1.417 FC[C@@H](CCl)OCc1ccccn1 7a_100015614560_100000721315 [0,2,0,0,0,0|2,0,0]=4 25275 B13R1.417 NCC(CN)OCc1ccccn1 34a_100000031598_100000721315 [0,2,0,0,0,0|2,0,0]=4 25276 B13R1.417 OCC(CO)NCc1ccccn1 207a_100000759517_100000209966 [0,2,0,0,0,0|2,0,0]=4 25277 B13R1.417 OCC(CO)NCc1ccccn1 2230a_100000759517_100000721315 [0,2,0,0,0,0|2,0,0]=4 25278 B13R1.528 CC(CF)OCc1ncccc1Br 34a_100016041109_100025702911 [0,2,0,0,0,0|2,0,0]=4 25279 B13R1.528 CC(CF)OCc1ncccc1Br 7a_100016041109_100025702911 [0,2,0,0,0,0|2,0,0]=4 25280 B13R1.528 CC(CF)OCc1ncccc1Cl 7a_100016041109_100000099807 [0,2,0,0,0,0|2,0,0]=4 25281 B13R1.528 CC(CF)OCc1ncccc1F 34a_100016041109_100000104219 [0,2,0,0,0,0|2,0,0]=4 25282 B13R1.528 CC(CF)OCc1ncccc1F 7a_100016041109_100000104219 [0,2,0,0,0,0|2,0,0]=4 25283 B13R1.528 CC(CF)OCc1ncccc1O 34a_100016041109_200020655725 [0,2,0,0,0,0|2,0,0]=4 25284 B13R1.528 CC(CF)OCc1ncccc1O 7a_100016041109_200020655725 [0,2,0,0,0,0|2,0,0]=4 25285 B13R1.528 CC(CN)OCc1ncccc1Br 34a_100000210904_100025702911 [0,2,0,0,0,0|2,0,0]=4 25286 B13R1.528 CC(CN)OCc1ncccc1F 34a_100000210904_100000104219 [0,2,0,0,0,0|2,0,0]=4 25287 B13R1.528 CC(CN)OCc1ncccc1O 34a_100000210904_200020655725 [0,2,0,0,0,0|2,0,0]=4 25288 B13R1.528 CC(CO)CNc1ncccc1Br 27a_100000744482_100000696092 [0,2,0,0,0,0|2,0,0]=4 25289 B13R1.528 CC(CO)NCc1ncccc1Cl 2230a_100015189233_100012180447 [0,2,0,0,0,0|2,0,0]=4 25290 B13R1.528 CC(CO)NCc1ncccc1F 34a_100000690088_100012180447 [0,2,0,0,0,0|2,0,0]=4 25291 B13R1.528 CC(CO)OCc1ncccc1Br 34a_100011996772_100012180447 [0,2,0,0,0,0|2,0,0]=4 25292 B13R1.528 CC(CO)OCc1ncccc1Cl 34a_100012002383_100012180447 [0,2,0,0,0,0|2,0,0]=4 25293 B13R1.528 CC(CO)OCc1ncccc1F 34a_100011934865_100012180447 [0,2,0,0,0,0|2,0,0]=4 25294 B13R1.528 CC(CO)OCc1ncccc1N 34a_114873767017_100012180447 [0,2,0,0,0,0|2,0,0]=4 25295 B13R1.528 CC(CO)SCc1ncccc1Br 62a_100012180447_100025702911 [0,2,0,0,0,0|2,0,0]=4 25296 B13R1.528 CC(CO)SCc1ncccc1Cl 62a_100012180447_100000099807 [0,2,0,0,0,0|2,0,0]=4 25297 B13R1.528 CC(CO)SCc1ncccc1F 62a_100012180447_100000104219 [0,2,0,0,0,0|2,0,0]=4 25298 B13R1.528 CC(CO)SCc1ncccc1O 62a_100012180447_200020655725 [0,2,0,0,0,0|2,0,0]=4 25299 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [0,2,0,0,0,0|1,0,1]=4 25300 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [0,2,0,0,0,0|1,0,1]=4 25301 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [0,2,0,0,0,0|1,0,1]=4 25302 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [0,2,0,0,0,0|1,0,1]=4 25303 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [0,2,0,0,0,0|1,0,1]=4 25304 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [0,2,0,0,0,0|1,0,1]=4 25305 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [0,2,0,0,0,0|1,0,1]=4 25306 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [0,2,0,0,0,0|1,0,1]=4 25307 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [0,2,0,0,0,0|1,0,1]=4 25308 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,2,0,0,0,0|1,0,1]=4 25309 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,2,0,0,0,0|1,0,1]=4 25310 B13R1.528 CCC(=O)CSc1ncccc1Br 62a_100000696092_100000747405 [0,2,0,0,0,0|1,0,1]=4 25311 B13R1.528 CCC(=O)CSc1ncccc1Br 62a_100000747405_100000696092 [0,2,0,0,0,0|1,0,1]=4 25312 B13R1.528 CCC(=O)CSc1ncccc1C 62a_100000747405_100000751373 [0,2,0,0,0,0|1,0,1]=4 25313 B13R1.528 CCC(=O)CSc1ncccc1C 62a_100000751373_100000747405 [0,2,0,0,0,0|1,0,1]=4 25314 B13R1.528 CCC(=O)CSc1ncccc1Cl 62a_100000747405_100011356963 [0,2,0,0,0,0|1,0,1]=4 25315 B13R1.528 CCC(=O)CSc1ncccc1Cl 62a_100011356963_100000747405 [0,2,0,0,0,0|1,0,1]=4 25316 B13R1.528 CCC(=O)CSc1ncccc1F 62a_100000685392_100000747405 [0,2,0,0,0,0|1,0,1]=4 25317 B13R1.528 CCC(=O)CSc1ncccc1F 62a_100000747405_100000685392 [0,2,0,0,0,0|1,0,1]=4 25318 B13R1.528 CCC(=O)CSc1ncccc1N 62a_100000688686_100000747405 [0,2,0,0,0,0|1,0,1]=4 25319 B13R1.528 CCC(=O)CSc1ncccc1N 62a_100000747405_100000688686 [0,2,0,0,0,0|1,0,1]=4 25320 B13R1.528 CCC(=O)CSc1ncccc1O 62a_100000034122_100000747405 [0,2,0,0,0,0|1,0,1]=4 25321 B13R1.528 CCC(=O)CSc1ncccc1O 62a_100000747405_100000034122 [0,2,0,0,0,0|1,0,1]=4 25322 B13R1.528 CCC(=O)NCc1ncccc1Br 11a_100020591323_100000210414 [0,2,0,0,0,0|1,0,1]=4 25323 B13R1.528 CCC(=O)NCc1ncccc1Br 240690a_100020591323_100000210414 [0,2,0,0,0,0|1,0,1]=4 25324 B13R1.528 CCC(=O)NCc1ncccc1Br 527a_100020591323_100000210414 [0,2,0,0,0,0|1,0,1]=4 25325 B13R1.528 CCC(=O)NCc1ncccc1C 11a_100011223789_100000210414 [0,2,0,0,0,0|1,0,1]=4 25326 B13R1.528 CCC(=O)NCc1ncccc1C 1626a_100011223789_100000210414 [0,2,0,0,0,0|1,0,1]=4 25327 B13R1.528 CCC(=O)NCc1ncccc1C 240690a_100011223789_100000210414 [0,2,0,0,0,0|1,0,1]=4 25328 B13R1.528 CCC(=O)NCc1ncccc1C 527a_100011223789_100000210414 [0,2,0,0,0,0|1,0,1]=4 25329 B13R1.528 CCC(=O)NCc1ncccc1Cl 11a_100015189233_100000210414 [0,2,0,0,0,0|1,0,1]=4 25330 B13R1.528 CCC(=O)NCc1ncccc1Cl 1626a_100015189233_100000210414 [0,2,0,0,0,0|1,0,1]=4 25331 B13R1.528 CCC(=O)NCc1ncccc1Cl 240690a_100015189233_100000210414 [0,2,0,0,0,0|1,0,1]=4 25332 B13R1.528 CCC(=O)NCc1ncccc1Cl 527a_100015189233_100000210414 [0,2,0,0,0,0|1,0,1]=4 25333 B13R1.528 CCC(=O)NCc1ncccc1F 11a_100000690088_100000210414 [0,2,0,0,0,0|1,0,1]=4 25334 B13R1.528 CCC(=O)NCc1ncccc1F 1626a_100000690088_100000210414 [0,2,0,0,0,0|1,0,1]=4 25335 B13R1.528 CCC(=O)NCc1ncccc1F 240690a_100000690088_100000210414 [0,2,0,0,0,0|1,0,1]=4 25336 B13R1.528 CCC(=O)NCc1ncccc1F 527a_100000690088_100000210414 [0,2,0,0,0,0|1,0,1]=4 25337 B13R1.528 CCC(C)CNc1ccccc1Br 34a_100000210017_100000748023 [0,2,0,0,0,0|2,0,0]=4 25338 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [0,2,0,0,0,0|2,0,0]=4 25339 B13R1.528 CCC(C)CNc1ccccc1Cl 34a_100000185783_100000748023 [0,2,0,0,0,0|2,0,0]=4 25340 B13R1.528 CCC(C)CNc1ccccc1F 34a_100000210422_100000748023 [0,2,0,0,0,0|2,0,0]=4 25341 B13R1.528 CCC(C)CNc1ccccc1I 34a_100000210053_100000748023 [0,2,0,0,0,0|2,0,0]=4 25342 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 25343 B13R1.528 CCC(C)CNc1ncccc1Br 27a_100020588543_100000696092 [0,2,0,0,0,0|1,0,0]=3 25344 B13R1.528 CCC(C)CNc1nccnc1C 27a_100020588543_100011999405 [0,2,0,0,0,0|2,0,0]=4 25345 B13R1.528 CCC(C)CNc1nccnc1F 27a_100020588543_200010125657 [0,2,0,0,0,0|2,0,0]=4 25346 B13R1.528 CCC(C)CNc1ncncc1C 27a_100020588543_100011998708 [0,2,0,0,0,0|2,0,0]=4 25347 B13R1.528 CCC(C)CNc1ncncc1F 27a_100020588543_100000069762 [0,2,0,0,0,0|2,0,0]=4 25348 B13R1.528 CCC(C)CNc1ncncc1N 27a_100020588543_100000709731 [0,2,0,0,0,0|2,0,0]=4 25349 B13R1.528 CCC(C)CNc1nnccc1C 27a_100020588543_100000089043 [0,2,0,0,0,0|2,0,0]=4 25350 B13R1.528 CCC(C)COc1cccc[n+]1[O-] 7a_100000211761_100000748023 [0,2,0,0,0,0|1,0,1]=4 25351 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [0,2,0,0,0,0|2,0,0]=4 25352 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [0,2,0,0,0,0|2,0,0]=4 25353 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [0,2,0,0,0,0|2,0,0]=4 25354 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [0,2,0,0,0,0|2,0,0]=4 25355 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [0,2,0,0,0,0|2,0,0]=4 25356 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [0,2,0,0,0,0|2,0,0]=4 25357 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [0,2,0,0,0,0|2,0,0]=4 25358 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [0,2,0,0,0,0|2,0,0]=4 25359 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 25360 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 25361 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 25362 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 25363 B13R1.528 CCC(C)COc1ncccc1Cl 34a_100011290957_100000748023 [0,2,0,0,0,0|1,0,0]=3 25364 B13R1.528 CCC(C)COc1ncccc1F 34a_100011219419_100000748023 [0,2,0,0,0,0|1,0,0]=3 25365 B13R1.528 CCC(C)COc1ncccc1N 34a_100000746358_100000748023 [0,2,0,0,0,0|1,0,0]=3 25366 B13R1.528 CCC(C)COc1nccnc1C 34a_100000766352_100000748023 [0,2,0,0,0,0|2,0,0]=4 25367 B13R1.528 CCC(C)CSc1cccc[n+]1C 62a_100000748023_100000212160 [0,2,0,0,0,0|1,0,1]=4 25368 B13R1.528 CCC(C)CSc1cccc[n+]1[O-] 62a_100000748023_200000042595 [0,2,0,0,0,0|1,0,1]=4 25369 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000695589_100000748023 [0,2,0,0,0,0|2,0,0]=4 25370 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000748023_100000695589 [0,2,0,0,0,0|2,0,0]=4 25371 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [0,2,0,0,0,0|2,0,0]=4 25372 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [0,2,0,0,0,0|2,0,0]=4 25373 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000748023_100000764095 [0,2,0,0,0,0|2,0,0]=4 25374 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000764095_100000748023 [0,2,0,0,0,0|2,0,0]=4 25375 B13R1.528 CCC(C)CSc1ccccc1F 62a_100000748023_100011215700 [0,2,0,0,0,0|2,0,0]=4 25376 B13R1.528 CCC(C)CSc1ccccc1F 62a_100011215700_100000748023 [0,2,0,0,0,0|2,0,0]=4 25377 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000210017_100000748023 [0,2,0,0,0,0|2,0,0]=4 25378 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000748023_100000210017 [0,2,0,0,0,0|2,0,0]=4 25379 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 25380 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000748023_100000739446 [0,2,0,0,0,0|2,0,0]=4 25381 B13R1.528 CCC(C)CSc1ncc[nH]c1=O 62a_100000748023_100000763361 [0,2,0,0,0,0|2,0,0]=4 25382 B13R1.528 CCC(C)CSc1ncccc1Br 62a_100000696092_100000748023 [0,2,0,0,0,0|1,0,0]=3 25383 B13R1.528 CCC(C)CSc1ncccc1Br 62a_100000748023_100000696092 [0,2,0,0,0,0|1,0,0]=3 25384 B13R1.528 CCC(C)CSc1ncccc1C 62a_100000748023_100000751373 [0,2,0,0,0,0|1,0,0]=3 25385 B13R1.528 CCC(C)CSc1ncccc1C 62a_100000751373_100000748023 [0,2,0,0,0,0|1,0,0]=3 25386 B13R1.528 CCC(C)CSc1ncccc1Cl 62a_100000748023_100011356963 [0,2,0,0,0,0|1,0,0]=3 25387 B13R1.528 CCC(C)CSc1ncccc1Cl 62a_100011356963_100000748023 [0,2,0,0,0,0|1,0,0]=3 25388 B13R1.528 CCC(C)CSc1ncccc1F 62a_100000685392_100000748023 [0,2,0,0,0,0|1,0,0]=3 25389 B13R1.528 CCC(C)CSc1ncccc1F 62a_100000748023_100000685392 [0,2,0,0,0,0|1,0,0]=3 25390 B13R1.528 CCC(C)CSc1ncccc1N 62a_100000688686_100000748023 [0,2,0,0,0,0|1,0,0]=3 25391 B13R1.528 CCC(C)CSc1ncccc1N 62a_100000748023_100000688686 [0,2,0,0,0,0|1,0,0]=3 25392 B13R1.528 CCC(C)CSc1ncccc1O 62a_100000034122_100000748023 [0,2,0,0,0,0|1,0,0]=3 25393 B13R1.528 CCC(C)CSc1ncccc1O 62a_100000748023_100000034122 [0,2,0,0,0,0|1,0,0]=3 25394 B13R1.528 CCC(C)CSc1nccnc1C 62a_100000748023_100011999405 [0,2,0,0,0,0|2,0,0]=4 25395 B13R1.528 CCC(C)CSc1nccnc1C 62a_100011999405_100000748023 [0,2,0,0,0,0|2,0,0]=4 25396 B13R1.528 CCC(C)CSc1nccnc1Cl 62a_100000748023_100010886584 [0,2,0,0,0,0|2,0,0]=4 25397 B13R1.528 CCC(C)CSc1nccnc1Cl 62a_100010886584_100000748023 [0,2,0,0,0,0|2,0,0]=4 25398 B13R1.528 CCC(C)CSc1nccnc1F 62a_100000748023_200010125657 [0,2,0,0,0,0|2,0,0]=4 25399 B13R1.528 CCC(C)CSc1nccnc1F 62a_200010125657_100000748023 [0,2,0,0,0,0|2,0,0]=4 25400 B13R1.528 CCC(C)CSc1nccnc1N 62a_100000747729_100000748023 [0,2,0,0,0,0|2,0,0]=4 25401 B13R1.528 CCC(C)CSc1nccnc1N 62a_100000748023_100000747729 [0,2,0,0,0,0|2,0,0]=4 25402 B13R1.528 CCC(C)CSc1ncncc1C 62a_100000748023_100011998708 [0,2,0,0,0,0|2,0,0]=4 25403 B13R1.528 CCC(C)CSc1ncncc1C 62a_100011998708_100000748023 [0,2,0,0,0,0|2,0,0]=4 25404 B13R1.528 CCC(C)CSc1ncncc1F 62a_100000069762_100000748023 [0,2,0,0,0,0|2,0,0]=4 25405 B13R1.528 CCC(C)CSc1ncncc1F 62a_100000748023_100000069762 [0,2,0,0,0,0|2,0,0]=4 25406 B13R1.528 CCC(C)CSc1ncncc1N 62a_100000709731_100000748023 [0,2,0,0,0,0|2,0,0]=4 25407 B13R1.528 CCC(C)CSc1ncncc1N 62a_100000748023_100000709731 [0,2,0,0,0,0|2,0,0]=4 25408 B13R1.528 CCC(C)CSc1nnccc1C 62a_100000748023_100000089043 [0,2,0,0,0,0|2,0,0]=4 25409 B13R1.528 CCC(C)NCc1ccccc1Br 207a_100000209981_100000211189 [0,2,0,0,0,0|2,0,0]=4 25410 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000209981_100000184730 [0,2,0,0,0,0|2,0,0]=4 25411 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000689332_100000758301 [0,2,0,0,0,0|2,0,0]=4 25412 B13R1.528 CCC(C)NCc1ccccc1Br 270004a_100000209981_100000211189 [0,2,0,0,0,0|2,0,0]=4 25413 B13R1.528 CCC(C)NCc1ccccc1Br 34a_100000689332_100011215416 [0,2,0,0,0,0|2,0,0]=4 25414 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,2,0,0,0,0|2,0,0]=4 25415 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,2,0,0,0,0|2,0,0]=4 25416 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,2,0,0,0,0|2,0,0]=4 25417 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,2,0,0,0,0|2,0,0]=4 25418 B13R1.528 CCC(C)NCc1ccccc1Cl 207a_100000209981_100000210073 [0,2,0,0,0,0|2,0,0]=4 25419 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000174879_100000758301 [0,2,0,0,0,0|2,0,0]=4 25420 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000209981_100000187162 [0,2,0,0,0,0|2,0,0]=4 25421 B13R1.528 CCC(C)NCc1ccccc1Cl 270004a_100000209981_100000210073 [0,2,0,0,0,0|2,0,0]=4 25422 B13R1.528 CCC(C)NCc1ccccc1Cl 34a_100000174879_100011215416 [0,2,0,0,0,0|2,0,0]=4 25423 B13R1.528 CCC(C)NCc1ccccc1F 207a_100000209981_100000210811 [0,2,0,0,0,0|2,0,0]=4 25424 B13R1.528 CCC(C)NCc1ccccc1F 2230a_100000209981_100000211605 [0,2,0,0,0,0|2,0,0]=4 25425 B13R1.528 CCC(C)NCc1ccccc1F 270004a_100000209981_100000210811 [0,2,0,0,0,0|2,0,0]=4 25426 B13R1.528 CCC(C)NCc1ccccc1F 34a_100000174869_100011215416 [0,2,0,0,0,0|2,0,0]=4 25427 B13R1.528 CCC(C)NCc1ccccc1I 207a_100000209981_100000010305 [0,2,0,0,0,0|2,0,0]=4 25428 B13R1.528 CCC(C)NCc1ccccc1I 2230a_100000209981_100011215278 [0,2,0,0,0,0|2,0,0]=4 25429 B13R1.528 CCC(C)NCc1ccccc1I 270004a_100000209981_100000010305 [0,2,0,0,0,0|2,0,0]=4 25430 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,2,0,0,0,0|2,0,0]=4 25431 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,2,0,0,0,0|2,0,0]=4 25432 B13R1.528 CCC(C)NCc1ncccc1Br 207a_100000209981_100011934733 [0,2,0,0,0,0|1,0,0]=3 25433 B13R1.528 CCC(C)NCc1ncccc1Br 2230a_100000209981_100025702911 [0,2,0,0,0,0|1,0,0]=3 25434 B13R1.528 CCC(C)NCc1ncccc1Br 270004a_100000209981_100011934733 [0,2,0,0,0,0|1,0,0]=3 25435 B13R1.528 CCC(C)NCc1ncccc1C 207a_100000209981_100000698913 [0,2,0,0,0,0|1,0,0]=3 25436 B13R1.528 CCC(C)NCc1ncccc1C 2230a_100000209981_100000696600 [0,2,0,0,0,0|1,0,0]=3 25437 B13R1.528 CCC(C)NCc1ncccc1C 270004a_100000209981_100000698913 [0,2,0,0,0,0|1,0,0]=3 25438 B13R1.528 CCC(C)NCc1ncccc1C 34a_100011223789_100011215416 [0,2,0,0,0,0|1,0,0]=3 25439 B13R1.528 CCC(C)NCc1ncccc1Cl 207a_100000209981_100012001307 [0,2,0,0,0,0|1,0,0]=3 25440 B13R1.528 CCC(C)NCc1ncccc1Cl 2230a_100000209981_100000099807 [0,2,0,0,0,0|1,0,0]=3 25441 B13R1.528 CCC(C)NCc1ncccc1Cl 2230a_100015189233_100000758301 [0,2,0,0,0,0|1,0,0]=3 25442 B13R1.528 CCC(C)NCc1ncccc1Cl 270004a_100000209981_100012001307 [0,2,0,0,0,0|1,0,0]=3 25443 B13R1.528 CCC(C)NCc1ncccc1F 207a_100000209981_100011934734 [0,2,0,0,0,0|1,0,0]=3 25444 B13R1.528 CCC(C)NCc1ncccc1F 2230a_100000209981_100000104219 [0,2,0,0,0,0|1,0,0]=3 25445 B13R1.528 CCC(C)NCc1ncccc1F 270004a_100000209981_100011934734 [0,2,0,0,0,0|1,0,0]=3 25446 B13R1.528 CCC(C)NCc1ncccc1F 34a_100000690088_100011215416 [0,2,0,0,0,0|1,0,0]=3 25447 B13R1.528 CCC(C)NCc1nccnc1C 2230a_100020641712_100000758301 [0,2,0,0,0,0|2,0,0]=4 25448 B13R1.528 CCC(C)NCc1nccnc1C 270004a_100000209981_100000050726 [0,2,0,0,0,0|2,0,0]=4 25449 B13R1.528 CCC(C)NCc1nccnc1C 34a_100020641712_100011215416 [0,2,0,0,0,0|2,0,0]=4 25450 B13R1.528 CCC(C)NCc1nccnc1Cl 2230a_100000729963_100000758301 [0,2,0,0,0,0|2,0,0]=4 25451 B13R1.528 CCC(C)OCc1ccccc1Br 34a_100000756307_100011215416 [0,2,0,0,0,0|2,0,0]=4 25452 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000210228_100000184730 [0,2,0,0,0,0|2,0,0]=4 25453 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000756307_100000758301 [0,2,0,0,0,0|2,0,0]=4 25454 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,2,0,0,0,0|2,0,0]=4 25455 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,2,0,0,0,0|2,0,0]=4 25456 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,2,0,0,0,0|2,0,0]=4 25457 B13R1.528 CCC(C)OCc1ccccc1Cl 34a_100000210847_100011215416 [0,2,0,0,0,0|2,0,0]=4 25458 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210228_100000187162 [0,2,0,0,0,0|2,0,0]=4 25459 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210847_100000758301 [0,2,0,0,0,0|2,0,0]=4 25460 B13R1.528 CCC(C)OCc1ccccc1F 34a_100000211962_100011215416 [0,2,0,0,0,0|2,0,0]=4 25461 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000210228_100000211605 [0,2,0,0,0,0|2,0,0]=4 25462 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000211962_100000758301 [0,2,0,0,0,0|2,0,0]=4 25463 B13R1.528 CCC(C)OCc1ccccc1I 34a_100000187465_100011215416 [0,2,0,0,0,0|2,0,0]=4 25464 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000187465_100000758301 [0,2,0,0,0,0|2,0,0]=4 25465 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000210228_100011215278 [0,2,0,0,0,0|2,0,0]=4 25466 B13R1.528 CCC(C)OCc1ccccc1N 34a_100000212039_100011215416 [0,2,0,0,0,0|2,0,0]=4 25467 B13R1.528 CCC(C)OCc1ncccc1Br 34a_100011996772_100011215416 [0,2,0,0,0,0|1,0,0]=3 25468 B13R1.528 CCC(C)OCc1ncccc1Br 7a_100000210228_100025702911 [0,2,0,0,0,0|1,0,0]=3 25469 B13R1.528 CCC(C)OCc1ncccc1C 34a_100000698912_100011215416 [0,2,0,0,0,0|1,0,0]=3 25470 B13R1.528 CCC(C)OCc1ncccc1C 7a_100000210228_100000696600 [0,2,0,0,0,0|1,0,0]=3 25471 B13R1.528 CCC(C)OCc1ncccc1Cl 34a_100012002383_100011215416 [0,2,0,0,0,0|1,0,0]=3 25472 B13R1.528 CCC(C)OCc1ncccc1Cl 7a_100000210228_100000099807 [0,2,0,0,0,0|1,0,0]=3 25473 B13R1.528 CCC(C)OCc1ncccc1F 34a_100011934865_100011215416 [0,2,0,0,0,0|1,0,0]=3 25474 B13R1.528 CCC(C)OCc1ncccc1F 7a_100000210228_100000104219 [0,2,0,0,0,0|1,0,0]=3 25475 B13R1.528 CCC(C)OCc1ncccc1N 34a_114873767017_100011215416 [0,2,0,0,0,0|1,0,0]=3 25476 B13R1.528 CCC(C)OCc1ncccc1O 7a_100000210228_200020655725 [0,2,0,0,0,0|1,0,0]=3 25477 B13R1.528 CCC(C)OCc1nccnc1Cl 34a_100000057004_100011215416 [0,2,0,0,0,0|2,0,0]=4 25478 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000184730_100000758301 [0,2,0,0,0,0|2,0,0]=4 25479 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000758301_100000184730 [0,2,0,0,0,0|2,0,0]=4 25480 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,2,0,0,0,0|2,0,0]=4 25481 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,2,0,0,0,0|2,0,0]=4 25482 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000187162_100000758301 [0,2,0,0,0,0|2,0,0]=4 25483 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000758301_100000187162 [0,2,0,0,0,0|2,0,0]=4 25484 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000211605_100000758301 [0,2,0,0,0,0|2,0,0]=4 25485 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000758301_100000211605 [0,2,0,0,0,0|2,0,0]=4 25486 B13R1.528 CCC(C)SCc1ccccc1I 62a_100000758301_100011216222 [0,2,0,0,0,0|2,0,0]=4 25487 B13R1.528 CCC(C)SCc1ccccc1I 62a_100011216222_100000758301 [0,2,0,0,0,0|2,0,0]=4 25488 B13R1.528 CCC(C)SCc1ncccc1Br 62a_100000758301_100025702911 [0,2,0,0,0,0|1,0,0]=3 25489 B13R1.528 CCC(C)SCc1ncccc1Br 62a_100025702911_100000758301 [0,2,0,0,0,0|1,0,0]=3 25490 B13R1.528 CCC(C)SCc1ncccc1C 62a_100000696600_100000758301 [0,2,0,0,0,0|1,0,0]=3 25491 B13R1.528 CCC(C)SCc1ncccc1C 62a_100000758301_100000696600 [0,2,0,0,0,0|1,0,0]=3 25492 B13R1.528 CCC(C)SCc1ncccc1Cl 62a_100000099807_100000758301 [0,2,0,0,0,0|1,0,0]=3 25493 B13R1.528 CCC(C)SCc1ncccc1Cl 62a_100000758301_100000099807 [0,2,0,0,0,0|1,0,0]=3 25494 B13R1.528 CCC(C)SCc1ncccc1F 62a_100000104219_100000758301 [0,2,0,0,0,0|1,0,0]=3 25495 B13R1.528 CCC(C)SCc1ncccc1F 62a_100000758301_100000104219 [0,2,0,0,0,0|1,0,0]=3 25496 B13R1.528 CCC(C)SCc1ncccc1O 62a_100000758301_200020655725 [0,2,0,0,0,0|1,0,0]=3 25497 B13R1.528 CCC(C)SCc1ncccc1O 62a_200020655725_100000758301 [0,2,0,0,0,0|1,0,0]=3 25498 B13R1.528 CCC(O)CNc1ccccc1Br 34a_100000210017_100011218378 [0,2,0,0,0,0|2,0,0]=4 25499 B13R1.528 CCC(O)CNc1ccccc1C 34a_100015192222_100011218378 [0,2,0,0,0,0|2,0,0]=4 25500 B13R1.528 CCC(O)CNc1ccccc1Cl 34a_100000185783_100011218378 [0,2,0,0,0,0|2,0,0]=4 25501 B13R1.528 CCC(O)CNc1ccccc1F 34a_100000210422_100011218378 [0,2,0,0,0,0|2,0,0]=4 25502 B13R1.528 CCC(O)CNc1ccccc1I 34a_100000210053_100011218378 [0,2,0,0,0,0|2,0,0]=4 25503 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 25504 B13R1.528 CCC(O)CNc1ncccc1Br 27a_100011218483_100000696092 [0,2,0,0,0,0|1,0,0]=3 25505 B13R1.528 CCC(O)CNc1nccnc1C 27a_100011218483_100011999405 [0,2,0,0,0,0|2,0,0]=4 25506 B13R1.528 CCC(O)CNc1nccnc1F 27a_100011218483_200010125657 [0,2,0,0,0,0|2,0,0]=4 25507 B13R1.528 CCC(O)CNc1ncncc1C 27a_100011218483_100011998708 [0,2,0,0,0,0|2,0,0]=4 25508 B13R1.528 CCC(O)CNc1ncncc1F 27a_100011218483_100000069762 [0,2,0,0,0,0|2,0,0]=4 25509 B13R1.528 CCC(O)CNc1ncncc1N 27a_100011218483_100000709731 [0,2,0,0,0,0|2,0,0]=4 25510 B13R1.528 CCC(O)CNc1nnccc1C 27a_100011218483_100000089043 [0,2,0,0,0,0|2,0,0]=4 25511 B13R1.528 CCC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218378 [0,2,0,0,0,0|1,0,1]=4 25512 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [0,2,0,0,0,0|2,0,0]=4 25513 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [0,2,0,0,0,0|2,0,0]=4 25514 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [0,2,0,0,0,0|2,0,0]=4 25515 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [0,2,0,0,0,0|2,0,0]=4 25516 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [0,2,0,0,0,0|2,0,0]=4 25517 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [0,2,0,0,0,0|2,0,0]=4 25518 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [0,2,0,0,0,0|2,0,0]=4 25519 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [0,2,0,0,0,0|2,0,0]=4 25520 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [0,2,0,0,0,0|2,0,0]=4 25521 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [0,2,0,0,0,0|2,0,0]=4 25522 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 25523 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 25524 B13R1.528 CCC(O)COc1ncccc1Cl 34a_100011290957_100011218378 [0,2,0,0,0,0|1,0,0]=3 25525 B13R1.528 CCC(O)COc1ncccc1F 34a_100011219419_100011218378 [0,2,0,0,0,0|1,0,0]=3 25526 B13R1.528 CCC(O)COc1ncccc1N 34a_100000746358_100011218378 [0,2,0,0,0,0|1,0,0]=3 25527 B13R1.528 CCC(O)COc1nccnc1C 34a_100000766352_100011218378 [0,2,0,0,0,0|2,0,0]=4 25528 B13R1.528 CCC(O)CSc1cccc[n+]1C 62a_100011218378_100000212160 [0,2,0,0,0,0|1,0,1]=4 25529 B13R1.528 CCC(O)CSc1cccc[n+]1[O-] 62a_100011218378_200000042595 [0,2,0,0,0,0|1,0,1]=4 25530 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100000695589_100011218378 [0,2,0,0,0,0|2,0,0]=4 25531 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100011218378_100000695589 [0,2,0,0,0,0|2,0,0]=4 25532 B13R1.528 CCC(O)CSc1ccccc1C 62a_100000210755_100011218378 [0,2,0,0,0,0|2,0,0]=4 25533 B13R1.528 CCC(O)CSc1ccccc1C 62a_100011218378_100000210755 [0,2,0,0,0,0|2,0,0]=4 25534 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100000764095_100011218378 [0,2,0,0,0,0|2,0,0]=4 25535 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100011218378_100000764095 [0,2,0,0,0,0|2,0,0]=4 25536 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011215700_100011218378 [0,2,0,0,0,0|2,0,0]=4 25537 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011218378_100011215700 [0,2,0,0,0,0|2,0,0]=4 25538 B13R1.528 CCC(O)CSc1ccccc1N 62a_100000210017_100011218378 [0,2,0,0,0,0|2,0,0]=4 25539 B13R1.528 CCC(O)CSc1ccccc1N 62a_100011218378_100000210017 [0,2,0,0,0,0|2,0,0]=4 25540 B13R1.528 CCC(O)CSc1ccccc1O 62a_100000739446_100011218378 [0,2,0,0,0,0|2,0,0]=4 25541 B13R1.528 CCC(O)CSc1ccccc1O 62a_100011218378_100000739446 [0,2,0,0,0,0|2,0,0]=4 25542 B13R1.528 CCC(O)CSc1ncc[nH]c1=O 62a_100011218378_100000763361 [0,2,0,0,0,0|2,0,0]=4 25543 B13R1.528 CCC(O)CSc1ncccc1Br 62a_100000696092_100011218378 [0,2,0,0,0,0|1,0,0]=3 25544 B13R1.528 CCC(O)CSc1ncccc1Br 62a_100011218378_100000696092 [0,2,0,0,0,0|1,0,0]=3 25545 B13R1.528 CCC(O)CSc1ncccc1C 62a_100000751373_100011218378 [0,2,0,0,0,0|1,0,0]=3 25546 B13R1.528 CCC(O)CSc1ncccc1C 62a_100011218378_100000751373 [0,2,0,0,0,0|1,0,0]=3 25547 B13R1.528 CCC(O)CSc1ncccc1Cl 62a_100011218378_100011356963 [0,2,0,0,0,0|1,0,0]=3 25548 B13R1.528 CCC(O)CSc1ncccc1Cl 62a_100011356963_100011218378 [0,2,0,0,0,0|1,0,0]=3 25549 B13R1.528 CCC(O)CSc1ncccc1F 62a_100000685392_100011218378 [0,2,0,0,0,0|1,0,0]=3 25550 B13R1.528 CCC(O)CSc1ncccc1F 62a_100011218378_100000685392 [0,2,0,0,0,0|1,0,0]=3 25551 B13R1.528 CCC(O)CSc1ncccc1N 62a_100000688686_100011218378 [0,2,0,0,0,0|1,0,0]=3 25552 B13R1.528 CCC(O)CSc1ncccc1N 62a_100011218378_100000688686 [0,2,0,0,0,0|1,0,0]=3 25553 B13R1.528 CCC(O)CSc1ncccc1O 62a_100000034122_100011218378 [0,2,0,0,0,0|1,0,0]=3 25554 B13R1.528 CCC(O)CSc1ncccc1O 62a_100011218378_100000034122 [0,2,0,0,0,0|1,0,0]=3 25555 B13R1.528 CCC(O)CSc1nccnc1C 62a_100011218378_100011999405 [0,2,0,0,0,0|2,0,0]=4 25556 B13R1.528 CCC(O)CSc1nccnc1C 62a_100011999405_100011218378 [0,2,0,0,0,0|2,0,0]=4 25557 B13R1.528 CCC(O)CSc1nccnc1Cl 62a_100010886584_100011218378 [0,2,0,0,0,0|2,0,0]=4 25558 B13R1.528 CCC(O)CSc1nccnc1Cl 62a_100011218378_100010886584 [0,2,0,0,0,0|2,0,0]=4 25559 B13R1.528 CCC(O)CSc1nccnc1F 62a_100011218378_200010125657 [0,2,0,0,0,0|2,0,0]=4 25560 B13R1.528 CCC(O)CSc1nccnc1F 62a_200010125657_100011218378 [0,2,0,0,0,0|2,0,0]=4 25561 B13R1.528 CCC(O)CSc1nccnc1N 62a_100000747729_100011218378 [0,2,0,0,0,0|2,0,0]=4 25562 B13R1.528 CCC(O)CSc1nccnc1N 62a_100011218378_100000747729 [0,2,0,0,0,0|2,0,0]=4 25563 B13R1.528 CCC(O)CSc1ncncc1C 62a_100011218378_100011998708 [0,2,0,0,0,0|2,0,0]=4 25564 B13R1.528 CCC(O)CSc1ncncc1C 62a_100011998708_100011218378 [0,2,0,0,0,0|2,0,0]=4 25565 B13R1.528 CCC(O)CSc1ncncc1F 62a_100000069762_100011218378 [0,2,0,0,0,0|2,0,0]=4 25566 B13R1.528 CCC(O)CSc1ncncc1F 62a_100011218378_100000069762 [0,2,0,0,0,0|2,0,0]=4 25567 B13R1.528 CCC(O)CSc1ncncc1N 62a_100000709731_100011218378 [0,2,0,0,0,0|2,0,0]=4 25568 B13R1.528 CCC(O)CSc1ncncc1N 62a_100011218378_100000709731 [0,2,0,0,0,0|2,0,0]=4 25569 B13R1.528 CCC(O)CSc1nnccc1C 62a_100011218378_100000089043 [0,2,0,0,0,0|2,0,0]=4 25570 B13R1.528 CCN(C)CCc1ccccc1Br 2230a_100000225621_100012161201 [0,2,0,0,0,0|2,0,0]=4 25571 B13R1.528 CCN(C)CCc1ccccc1Br 269982a_100000225621_100012161201 [0,2,0,0,0,0|2,0,0]=4 25572 B13R1.528 CCN(C)CCc1ccccc1C 2230a_100000225621_100011713688 [0,2,0,0,0,0|2,0,0]=4 25573 B13R1.528 CCN(C)CCc1ccccc1C 269982a_100000225621_100011713688 [0,2,0,0,0,0|2,0,0]=4 25574 B13R1.528 CCN(C)CCc1ccccc1Cl 2230a_100000225621_100011713703 [0,2,0,0,0,0|2,0,0]=4 25575 B13R1.528 CCN(C)CCc1ccccc1Cl 269982a_100000225621_100011713703 [0,2,0,0,0,0|2,0,0]=4 25576 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000225621_100011713696 [0,2,0,0,0,0|2,0,0]=4 25577 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000232559_100000210202 [0,2,0,0,0,0|2,0,0]=4 25578 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000225621_100011713696 [0,2,0,0,0,0|2,0,0]=4 25579 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000232559_100000204670 [0,2,0,0,0,0|2,0,0]=4 25580 B13R1.528 CCN(C)CCc1ccccc1F 34a_100000232559_100000210202 [0,2,0,0,0,0|2,0,0]=4 25581 B13R1.528 CCN(C)CCc1ccccc1O 269982a_100000225621_100000722297 [0,2,0,0,0,0|2,0,0]=4 25582 B13R1.528 CC[C@H](C)CNc1ccccc1Br 34a_100000210017_100009816398 [0,2,0,0,0,0|2,0,0]=4 25583 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [0,2,0,0,0,0|2,0,0]=4 25584 B13R1.528 CC[C@H](C)CNc1ccccc1Cl 34a_100000185783_100009816398 [0,2,0,0,0,0|2,0,0]=4 25585 B13R1.528 CC[C@H](C)CNc1ccccc1F 34a_100000210422_100009816398 [0,2,0,0,0,0|2,0,0]=4 25586 B13R1.528 CC[C@H](C)CNc1ccccc1I 34a_100000210053_100009816398 [0,2,0,0,0,0|2,0,0]=4 25587 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 25588 B13R1.528 CC[C@H](C)COc1cccc[n+]1[O-] 7a_100000211761_100009816398 [0,2,0,0,0,0|1,0,1]=4 25589 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [0,2,0,0,0,0|2,0,0]=4 25590 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [0,2,0,0,0,0|2,0,0]=4 25591 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [0,2,0,0,0,0|2,0,0]=4 25592 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [0,2,0,0,0,0|2,0,0]=4 25593 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [0,2,0,0,0,0|2,0,0]=4 25594 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [0,2,0,0,0,0|2,0,0]=4 25595 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [0,2,0,0,0,0|2,0,0]=4 25596 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [0,2,0,0,0,0|2,0,0]=4 25597 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 25598 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 25599 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 25600 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 25601 B13R1.528 CC[C@H](C)COc1ncccc1Cl 34a_100011290957_100009816398 [0,2,0,0,0,0|1,0,0]=3 25602 B13R1.528 CC[C@H](C)COc1ncccc1F 34a_100011219419_100009816398 [0,2,0,0,0,0|1,0,0]=3 25603 B13R1.528 CC[C@H](C)COc1ncccc1N 34a_100000746358_100009816398 [0,2,0,0,0,0|1,0,0]=3 25604 B13R1.528 CC[C@H](C)COc1nccnc1C 34a_100000766352_100009816398 [0,2,0,0,0,0|2,0,0]=4 25605 B13R1.528 CC[C@H](C)CSc1cccc[n+]1C 62a_100009816398_100000212160 [0,2,0,0,0,0|1,0,1]=4 25606 B13R1.528 CC[C@H](C)CSc1cccc[n+]1[O-] 62a_100009816398_200000042595 [0,2,0,0,0,0|1,0,1]=4 25607 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100000695589_100009816398 [0,2,0,0,0,0|2,0,0]=4 25608 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100009816398_100000695589 [0,2,0,0,0,0|2,0,0]=4 25609 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [0,2,0,0,0,0|2,0,0]=4 25610 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [0,2,0,0,0,0|2,0,0]=4 25611 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100000764095_100009816398 [0,2,0,0,0,0|2,0,0]=4 25612 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100009816398_100000764095 [0,2,0,0,0,0|2,0,0]=4 25613 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100009816398_100011215700 [0,2,0,0,0,0|2,0,0]=4 25614 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100011215700_100009816398 [0,2,0,0,0,0|2,0,0]=4 25615 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100000210017_100009816398 [0,2,0,0,0,0|2,0,0]=4 25616 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100009816398_100000210017 [0,2,0,0,0,0|2,0,0]=4 25617 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 25618 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100009816398_100000739446 [0,2,0,0,0,0|2,0,0]=4 25619 B13R1.528 CC[C@H](C)CSc1ncc[nH]c1=O 62a_100009816398_100000763361 [0,2,0,0,0,0|2,0,0]=4 25620 B13R1.528 CC[C@H](C)CSc1ncccc1Br 62a_100000696092_100009816398 [0,2,0,0,0,0|1,0,0]=3 25621 B13R1.528 CC[C@H](C)CSc1ncccc1Br 62a_100009816398_100000696092 [0,2,0,0,0,0|1,0,0]=3 25622 B13R1.528 CC[C@H](C)CSc1ncccc1C 62a_100000751373_100009816398 [0,2,0,0,0,0|1,0,0]=3 25623 B13R1.528 CC[C@H](C)CSc1ncccc1C 62a_100009816398_100000751373 [0,2,0,0,0,0|1,0,0]=3 25624 B13R1.528 CC[C@H](C)CSc1ncccc1Cl 62a_100009816398_100011356963 [0,2,0,0,0,0|1,0,0]=3 25625 B13R1.528 CC[C@H](C)CSc1ncccc1Cl 62a_100011356963_100009816398 [0,2,0,0,0,0|1,0,0]=3 25626 B13R1.528 CC[C@H](C)CSc1ncccc1F 62a_100000685392_100009816398 [0,2,0,0,0,0|1,0,0]=3 25627 B13R1.528 CC[C@H](C)CSc1ncccc1F 62a_100009816398_100000685392 [0,2,0,0,0,0|1,0,0]=3 25628 B13R1.528 CC[C@H](C)CSc1ncccc1N 62a_100000688686_100009816398 [0,2,0,0,0,0|1,0,0]=3 25629 B13R1.528 CC[C@H](C)CSc1ncccc1N 62a_100009816398_100000688686 [0,2,0,0,0,0|1,0,0]=3 25630 B13R1.528 CC[C@H](C)CSc1ncccc1O 62a_100000034122_100009816398 [0,2,0,0,0,0|1,0,0]=3 25631 B13R1.528 CC[C@H](C)CSc1ncccc1O 62a_100009816398_100000034122 [0,2,0,0,0,0|1,0,0]=3 25632 B13R1.528 CC[C@H](C)CSc1nccnc1C 62a_100009816398_100011999405 [0,2,0,0,0,0|2,0,0]=4 25633 B13R1.528 CC[C@H](C)CSc1nccnc1C 62a_100011999405_100009816398 [0,2,0,0,0,0|2,0,0]=4 25634 B13R1.528 CC[C@H](C)CSc1nccnc1Cl 62a_100009816398_100010886584 [0,2,0,0,0,0|2,0,0]=4 25635 B13R1.528 CC[C@H](C)CSc1nccnc1Cl 62a_100010886584_100009816398 [0,2,0,0,0,0|2,0,0]=4 25636 B13R1.528 CC[C@H](C)CSc1nccnc1F 62a_100009816398_200010125657 [0,2,0,0,0,0|2,0,0]=4 25637 B13R1.528 CC[C@H](C)CSc1nccnc1F 62a_200010125657_100009816398 [0,2,0,0,0,0|2,0,0]=4 25638 B13R1.528 CC[C@H](C)CSc1nccnc1N 62a_100000747729_100009816398 [0,2,0,0,0,0|2,0,0]=4 25639 B13R1.528 CC[C@H](C)CSc1nccnc1N 62a_100009816398_100000747729 [0,2,0,0,0,0|2,0,0]=4 25640 B13R1.528 CC[C@H](C)CSc1ncncc1C 62a_100009816398_100011998708 [0,2,0,0,0,0|2,0,0]=4 25641 B13R1.528 CC[C@H](C)CSc1ncncc1C 62a_100011998708_100009816398 [0,2,0,0,0,0|2,0,0]=4 25642 B13R1.528 CC[C@H](C)CSc1ncncc1F 62a_100000069762_100009816398 [0,2,0,0,0,0|2,0,0]=4 25643 B13R1.528 CC[C@H](C)CSc1ncncc1F 62a_100009816398_100000069762 [0,2,0,0,0,0|2,0,0]=4 25644 B13R1.528 CC[C@H](C)CSc1ncncc1N 62a_100000709731_100009816398 [0,2,0,0,0,0|2,0,0]=4 25645 B13R1.528 CC[C@H](C)CSc1ncncc1N 62a_100009816398_100000709731 [0,2,0,0,0,0|2,0,0]=4 25646 B13R1.528 CC[C@H](C)CSc1nnccc1C 62a_100009816398_100000089043 [0,2,0,0,0,0|2,0,0]=4 25647 B13R1.528 COC(C)SCc1ncccc1Br 62a_100009879195_100025702911 [0,2,0,0,0,0|2,0,0]=4 25648 B13R1.528 COC(C)SCc1ncccc1Br 62a_100025702911_100009879195 [0,2,0,0,0,0|2,0,0]=4 25649 B13R1.528 COC(C)SCc1ncccc1C 62a_100000696600_100009879195 [0,2,0,0,0,0|2,0,0]=4 25650 B13R1.528 COC(C)SCc1ncccc1C 62a_100009879195_100000696600 [0,2,0,0,0,0|2,0,0]=4 25651 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100000099807_100009879195 [0,2,0,0,0,0|2,0,0]=4 25652 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100009879195_100000099807 [0,2,0,0,0,0|2,0,0]=4 25653 B13R1.528 COC(C)SCc1ncccc1F 62a_100000104219_100009879195 [0,2,0,0,0,0|2,0,0]=4 25654 B13R1.528 COC(C)SCc1ncccc1F 62a_100009879195_100000104219 [0,2,0,0,0,0|2,0,0]=4 25655 B13R1.528 COC(C)SCc1ncccc1O 62a_100009879195_200020655725 [0,2,0,0,0,0|2,0,0]=4 25656 B13R1.528 COC(C)SCc1ncccc1O 62a_200020655725_100009879195 [0,2,0,0,0,0|2,0,0]=4 25657 B13R1.528 CO[C@H](C)CNc1ncccc1Br 27a_100020591295_100000696092 [0,2,0,0,0,0|2,0,0]=4 25658 B13R1.528 C[C@@H](CO)COc1ncccc1Cl 34a_100011290957_100000059175 [0,2,0,0,0,0|2,0,0]=4 25659 B13R1.528 C[C@@H](CO)COc1ncccc1F 34a_100011219419_100000059175 [0,2,0,0,0,0|2,0,0]=4 25660 B13R1.528 C[C@@H](CO)COc1ncccc1N 34a_100000746358_100000059175 [0,2,0,0,0,0|2,0,0]=4 25661 B13R1.528 C[C@@H](CO)CSc1ncccc1Br 62a_100000059175_100000696092 [0,2,0,0,0,0|2,0,0]=4 25662 B13R1.528 C[C@@H](CO)CSc1ncccc1Br 62a_100000696092_100000059175 [0,2,0,0,0,0|2,0,0]=4 25663 B13R1.528 C[C@@H](CO)CSc1ncccc1Cl 62a_100000059175_100011356963 [0,2,0,0,0,0|2,0,0]=4 25664 B13R1.528 C[C@@H](CO)CSc1ncccc1Cl 62a_100011356963_100000059175 [0,2,0,0,0,0|2,0,0]=4 25665 B13R1.528 C[C@@H](CO)CSc1ncccc1F 62a_100000059175_100000685392 [0,2,0,0,0,0|2,0,0]=4 25666 B13R1.528 C[C@@H](CO)CSc1ncccc1F 62a_100000685392_100000059175 [0,2,0,0,0,0|2,0,0]=4 25667 B13R1.528 C[C@@H](CO)CSc1ncccc1N 62a_100000059175_100000688686 [0,2,0,0,0,0|2,0,0]=4 25668 B13R1.528 C[C@@H](CO)CSc1ncccc1N 62a_100000688686_100000059175 [0,2,0,0,0,0|2,0,0]=4 25669 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000034122_100000059175 [0,2,0,0,0,0|2,0,0]=4 25670 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000059175_100000034122 [0,2,0,0,0,0|2,0,0]=4 25671 B13R1.528 C[C@H](CF)NCc1ncccc1Br 207a_100102880703_100011934733 [0,2,0,0,0,0|2,0,0]=4 25672 B13R1.528 C[C@H](CF)NCc1ncccc1Br 270004a_100102880703_100011934733 [0,2,0,0,0,0|2,0,0]=4 25673 B13R1.528 C[C@H](CF)NCc1ncccc1Cl 207a_100102880703_100012001307 [0,2,0,0,0,0|2,0,0]=4 25674 B13R1.528 C[C@H](CF)NCc1ncccc1Cl 270004a_100102880703_100012001307 [0,2,0,0,0,0|2,0,0]=4 25675 B13R1.528 C[C@H](CF)NCc1ncccc1F 207a_100102880703_100011934734 [0,2,0,0,0,0|2,0,0]=4 25676 B13R1.528 C[C@H](CF)NCc1ncccc1F 270004a_100102880703_100011934734 [0,2,0,0,0,0|2,0,0]=4 25677 B13R1.528 C[C@H](CO)NCc1ncccc1Br 207a_100000737577_100011934733 [0,2,0,0,0,0|2,0,0]=4 25678 B13R1.528 C[C@H](CO)NCc1ncccc1Br 2230a_100000737577_100025702911 [0,2,0,0,0,0|2,0,0]=4 25679 B13R1.528 C[C@H](CO)NCc1ncccc1Br 270004a_100000737577_100011934733 [0,2,0,0,0,0|2,0,0]=4 25680 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 207a_100000737577_100012001307 [0,2,0,0,0,0|2,0,0]=4 25681 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 2230a_100000737577_100000099807 [0,2,0,0,0,0|2,0,0]=4 25682 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 270004a_100000737577_100012001307 [0,2,0,0,0,0|2,0,0]=4 25683 B13R1.528 C[C@H](CO)NCc1ncccc1F 207a_100000737577_100011934734 [0,2,0,0,0,0|2,0,0]=4 25684 B13R1.528 C[C@H](CO)NCc1ncccc1F 2230a_100000737577_100000104219 [0,2,0,0,0,0|2,0,0]=4 25685 B13R1.528 C[C@H](CO)NCc1ncccc1F 270004a_100000737577_100011934734 [0,2,0,0,0,0|2,0,0]=4 25686 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100016084084_100025702911 [0,2,0,0,0,0|2,0,0]=4 25687 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100025702911_100016084084 [0,2,0,0,0,0|2,0,0]=4 25688 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100000099807_100016084084 [0,2,0,0,0,0|2,0,0]=4 25689 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100016084084_100000099807 [0,2,0,0,0,0|2,0,0]=4 25690 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100000104219_100016084084 [0,2,0,0,0,0|2,0,0]=4 25691 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100016084084_100000104219 [0,2,0,0,0,0|2,0,0]=4 25692 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_100016084084_200020655725 [0,2,0,0,0,0|2,0,0]=4 25693 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_200020655725_100016084084 [0,2,0,0,0,0|2,0,0]=4 25694 B13R1.528 Cc1cccnc1CNC(C)CO 34a_100011223789_100012180447 [0,2,0,0,0,0|2,0,0]=4 25695 B13R1.528 Cc1cccnc1CN[C@H](C)CF 207a_100102880703_100000698913 [0,2,0,0,0,0|2,0,0]=4 25696 B13R1.528 Cc1cccnc1CN[C@H](C)CF 270004a_100102880703_100000698913 [0,2,0,0,0,0|2,0,0]=4 25697 B13R1.528 Cc1cccnc1CN[C@H](C)CO 207a_100000737577_100000698913 [0,2,0,0,0,0|2,0,0]=4 25698 B13R1.528 Cc1cccnc1CN[C@H](C)CO 2230a_100000737577_100000696600 [0,2,0,0,0,0|2,0,0]=4 25699 B13R1.528 Cc1cccnc1CN[C@H](C)CO 270004a_100000737577_100000698913 [0,2,0,0,0,0|2,0,0]=4 25700 B13R1.528 Cc1cccnc1COC(C)CF 34a_100016041109_100000696600 [0,2,0,0,0,0|2,0,0]=4 25701 B13R1.528 Cc1cccnc1COC(C)CF 7a_100016041109_100000696600 [0,2,0,0,0,0|2,0,0]=4 25702 B13R1.528 Cc1cccnc1COC(C)CN 34a_100000210904_100000696600 [0,2,0,0,0,0|2,0,0]=4 25703 B13R1.528 Cc1cccnc1COC(C)CO 34a_100000698912_100012180447 [0,2,0,0,0,0|2,0,0]=4 25704 B13R1.528 Cc1cccnc1CSC(C)CO 62a_100012180447_100000696600 [0,2,0,0,0,0|2,0,0]=4 25705 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100000696600_100016084084 [0,2,0,0,0,0|2,0,0]=4 25706 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100016084084_100000696600 [0,2,0,0,0,0|2,0,0]=4 25707 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100000751373_100011219619 [0,2,0,0,0,0|2,0,0]=4 25708 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100011219619_100000751373 [0,2,0,0,0,0|2,0,0]=4 25709 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000059175_100000751373 [0,2,0,0,0,0|2,0,0]=4 25710 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000751373_100000059175 [0,2,0,0,0,0|2,0,0]=4 25711 B13R1.528 Cc1cccnc1SC[C@@H](O)CF 62a_100000751373_100015614560 [0,2,0,0,0,0|2,0,0]=4 25712 B13R1.528 Cc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000751373 [0,2,0,0,0,0|2,0,0]=4 25713 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100000751373_100009815848 [0,2,0,0,0,0|2,0,0]=4 25714 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000751373 [0,2,0,0,0,0|2,0,0]=4 25715 B13R1.528 Nc1cccnc1OCC(O)CO 34a_100000746358_100011219619 [0,2,0,0,0,0|2,0,0]=4 25716 B13R1.528 Nc1cccnc1OC[C@@H](O)CF 34a_100000746358_100015614560 [0,2,0,0,0,0|2,0,0]=4 25717 B13R1.528 Nc1cccnc1OC[C@@H](O)CO 34a_100000746358_100009815848 [0,2,0,0,0,0|2,0,0]=4 25718 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100000688686_100011219619 [0,2,0,0,0,0|2,0,0]=4 25719 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100011219619_100000688686 [0,2,0,0,0,0|2,0,0]=4 25720 B13R1.528 Nc1cccnc1SC[C@@H](O)CF 62a_100000688686_100015614560 [0,2,0,0,0,0|2,0,0]=4 25721 B13R1.528 Nc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000688686 [0,2,0,0,0,0|2,0,0]=4 25722 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100000688686_100009815848 [0,2,0,0,0,0|2,0,0]=4 25723 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000688686 [0,2,0,0,0,0|2,0,0]=4 25724 B13R1.528 OCC(O)COc1ncccc1Cl 34a_100011290957_100011219619 [0,2,0,0,0,0|2,0,0]=4 25725 B13R1.528 OCC(O)COc1ncccc1F 34a_100011219419_100011219619 [0,2,0,0,0,0|2,0,0]=4 25726 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100000696092_100011219619 [0,2,0,0,0,0|2,0,0]=4 25727 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100011219619_100000696092 [0,2,0,0,0,0|2,0,0]=4 25728 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011219619_100011356963 [0,2,0,0,0,0|2,0,0]=4 25729 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011356963_100011219619 [0,2,0,0,0,0|2,0,0]=4 25730 B13R1.528 OCC(O)CSc1ncccc1F 62a_100000685392_100011219619 [0,2,0,0,0,0|2,0,0]=4 25731 B13R1.528 OCC(O)CSc1ncccc1F 62a_100011219619_100000685392 [0,2,0,0,0,0|2,0,0]=4 25732 B13R1.528 OCC(O)CSc1ncccc1O 62a_100000034122_100011219619 [0,2,0,0,0,0|2,0,0]=4 25733 B13R1.528 OCC(O)CSc1ncccc1O 62a_100011219619_100000034122 [0,2,0,0,0,0|2,0,0]=4 25734 B13R1.528 OC[C@@H](O)CNc1ncccc1Br 27a_100020644852_100000696092 [0,2,0,0,0,0|2,0,0]=4 25735 B13R1.528 OC[C@H](F)CNc1ncccc1Br 27a_100015665980_100000696092 [0,2,0,0,0,0|2,0,0]=4 25736 B13R1.528 OC[C@H](O)COc1ncccc1Cl 34a_100011290957_100009815848 [0,2,0,0,0,0|2,0,0]=4 25737 B13R1.528 OC[C@H](O)COc1ncccc1F 34a_100011219419_100009815848 [0,2,0,0,0,0|2,0,0]=4 25738 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100000696092_100009815848 [0,2,0,0,0,0|2,0,0]=4 25739 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100009815848_100000696092 [0,2,0,0,0,0|2,0,0]=4 25740 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100009815848_100011356963 [0,2,0,0,0,0|2,0,0]=4 25741 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100011356963_100009815848 [0,2,0,0,0,0|2,0,0]=4 25742 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100000685392_100009815848 [0,2,0,0,0,0|2,0,0]=4 25743 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100009815848_100000685392 [0,2,0,0,0,0|2,0,0]=4 25744 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100000034122_100009815848 [0,2,0,0,0,0|2,0,0]=4 25745 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100009815848_100000034122 [0,2,0,0,0,0|2,0,0]=4 25746 B13R1.528 O[C@@H](CF)COc1ncccc1Cl 34a_100011290957_100015614560 [0,2,0,0,0,0|2,0,0]=4 25747 B13R1.528 O[C@@H](CF)COc1ncccc1F 34a_100011219419_100015614560 [0,2,0,0,0,0|2,0,0]=4 25748 B13R1.528 O[C@@H](CF)CSc1ncccc1Br 62a_100000696092_100015614560 [0,2,0,0,0,0|2,0,0]=4 25749 B13R1.528 O[C@@H](CF)CSc1ncccc1Br 62a_100015614560_100000696092 [0,2,0,0,0,0|2,0,0]=4 25750 B13R1.528 O[C@@H](CF)CSc1ncccc1Cl 62a_100011356963_100015614560 [0,2,0,0,0,0|2,0,0]=4 25751 B13R1.528 O[C@@H](CF)CSc1ncccc1Cl 62a_100015614560_100011356963 [0,2,0,0,0,0|2,0,0]=4 25752 B13R1.528 O[C@@H](CF)CSc1ncccc1F 62a_100000685392_100015614560 [0,2,0,0,0,0|2,0,0]=4 25753 B13R1.528 O[C@@H](CF)CSc1ncccc1F 62a_100015614560_100000685392 [0,2,0,0,0,0|2,0,0]=4 25754 B13R1.528 Oc1cccnc1SC[C@@H](O)CF 62a_100000034122_100015614560 [0,2,0,0,0,0|2,0,0]=4 25755 B13R1.528 Oc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000034122 [0,2,0,0,0,0|2,0,0]=4 25756 B13R1.16 CCCC=Cc1nccc(c1C)C 271570a_100016258520_100009847204 [0,2,0,0,0,0|0,0,2]=4 25757 B13R1.16 CCCC=Cc1nccc(c1C)F 271570a_100016258520_100009846374 [0,2,0,0,0,0|0,0,2]=4 25758 B13R1.16 CCCC=Cc1nccc(c1C)N 271570a_100016258520_100009980296 [0,2,0,0,0,0|0,0,2]=4 25759 B13R1.16 CCCC=Cc1nccc(c1F)C 271570a_100016258520_100009817629 [0,2,0,0,0,0|0,0,2]=4 25760 B13R1.16 CCCC=Cc1nccc(c1F)N 271570a_100016258520_100015205195 [0,2,0,0,0,0|0,0,2]=4 25761 B13R1.16 CCCC=Cc1nccc(c1F)O 271570a_100016258520_100009876375 [0,2,0,0,0,0|0,0,2]=4 25762 B13R1.16 CCCC=Cc1nccc(c1N)C 271570a_100016258520_100000763560 [0,2,0,0,0,0|0,0,2]=4 25763 B13R1.16 CCCC=Cc1nccc(c1N)N 271570a_100016258520_100000085203 [0,2,0,0,0,0|0,0,2]=4 25764 B13R1.16 CCCC=Cc1nccc(c1N)O 271570a_100016258520_100000128729 [0,2,0,0,0,0|0,0,2]=4 25765 B13R1.16 CCCC=Cc1nccc(c1O)C 271570a_100016258520_100000696282 [0,2,0,0,0,0|0,0,2]=4 25766 B13R1.16 CCCC=Cc1nccc(c1O)F 271570a_100016258520_100009867227 [0,2,0,0,0,0|0,0,2]=4 25767 B13R1.16 CCCCNc1cccc(c1Br)C 34a_100000684715_100000210210 [0,2,0,0,0,0|2,0,0]=4 25768 B13R1.16 CCCCNc1cccc(c1Br)Cl 34a_100000687072_100000210210 [0,2,0,0,0,0|2,0,0]=4 25769 B13R1.16 CCCCNc1cccc(c1Br)F 34a_100011934729_100000210210 [0,2,0,0,0,0|2,0,0]=4 25770 B13R1.16 CCCCNc1cccc(c1Br)O 34a_100012183704_100000210210 [0,2,0,0,0,0|2,0,0]=4 25771 B13R1.16 CCCCNc1cccc(c1Br)O 7a_100012183704_100000210211 [0,2,0,0,0,0|2,0,0]=4 25772 B13R1.16 CCCCNc1cccc(c1C)Br 34a_100000750434_100000210210 [0,2,0,0,0,0|2,0,0]=4 25773 B13R1.16 CCCCNc1cccc(c1C)C 2230a_100000210026_100000210211 [0,2,0,0,0,0|2,0,0]=4 25774 B13R1.16 CCCCNc1cccc(c1C)C 34a_100000210026_100000210210 [0,2,0,0,0,0|2,0,0]=4 25775 B13R1.16 CCCCNc1cccc(c1C)C 7a_100000210026_100000210211 [0,2,0,0,0,0|2,0,0]=4 25776 B13R1.16 CCCCNc1cccc(c1C)Cl 2230a_100000210441_100000210211 [0,2,0,0,0,0|2,0,0]=4 25777 B13R1.16 CCCCNc1cccc(c1C)Cl 34a_100000210441_100000210210 [0,2,0,0,0,0|2,0,0]=4 25778 B13R1.16 CCCCNc1cccc(c1C)Cl 7a_100000210441_100000210211 [0,2,0,0,0,0|2,0,0]=4 25779 B13R1.16 CCCCNc1cccc(c1C)F 34a_100000745574_100000210210 [0,2,0,0,0,0|2,0,0]=4 25780 B13R1.16 CCCCNc1cccc(c1C)F 7a_100000745574_100000210211 [0,2,0,0,0,0|2,0,0]=4 25781 B13R1.16 CCCCNc1cccc(c1C)I 34a_100000761887_100000210210 [0,2,0,0,0,0|2,0,0]=4 25782 B13R1.16 CCCCNc1cccc(c1C)O 34a_100011216573_100000210210 [0,2,0,0,0,0|2,0,0]=4 25783 B13R1.16 CCCCNc1cccc(c1C)O 7a_100011216573_100000210211 [0,2,0,0,0,0|2,0,0]=4 25784 B13R1.16 CCCCNc1cccc(c1Cl)Br 34a_100000687075_100000210210 [0,2,0,0,0,0|2,0,0]=4 25785 B13R1.16 CCCCNc1cccc(c1Cl)C 34a_100000765562_100000210210 [0,2,0,0,0,0|2,0,0]=4 25786 B13R1.16 CCCCNc1cccc(c1Cl)C 7a_100000765562_100000210211 [0,2,0,0,0,0|2,0,0]=4 25787 B13R1.16 CCCCNc1cccc(c1Cl)Cl 34a_100000185733_100000210210 [0,2,0,0,0,0|2,0,0]=4 25788 B13R1.16 CCCCNc1cccc(c1Cl)F 34a_100000692321_100000210210 [0,2,0,0,0,0|2,0,0]=4 25789 B13R1.16 CCCCNc1cccc(c1Cl)O 34a_100012002038_100000210210 [0,2,0,0,0,0|2,0,0]=4 25790 B13R1.16 CCCCNc1cccc(c1Cl)O 7a_100012002038_100000210211 [0,2,0,0,0,0|2,0,0]=4 25791 B13R1.16 CCCCNc1cccc(c1F)Br 2230a_100011935091_100000210211 [0,2,0,0,0,0|2,0,0]=4 25792 B13R1.16 CCCCNc1cccc(c1F)Br 34a_100011935091_100000210210 [0,2,0,0,0,0|2,0,0]=4 25793 B13R1.16 CCCCNc1cccc(c1F)C 2230a_100000697159_100000210211 [0,2,0,0,0,0|2,0,0]=4 25794 B13R1.16 CCCCNc1cccc(c1F)C 34a_100000697159_100000210210 [0,2,0,0,0,0|2,0,0]=4 25795 B13R1.16 CCCCNc1cccc(c1F)C 7a_100000697159_100000210211 [0,2,0,0,0,0|2,0,0]=4 25796 B13R1.16 CCCCNc1cccc(c1F)Cl 2230a_100000199060_100000210211 [0,2,0,0,0,0|2,0,0]=4 25797 B13R1.16 CCCCNc1cccc(c1F)Cl 34a_100000199060_100000210210 [0,2,0,0,0,0|2,0,0]=4 25798 B13R1.16 CCCCNc1cccc(c1F)F 34a_100000743855_100000210210 [0,2,0,0,0,0|2,0,0]=4 25799 B13R1.16 CCCCNc1cccc(c1I)Br 34a_100020590159_100000210210 [0,2,0,0,0,0|2,0,0]=4 25800 B13R1.16 CCCCNc1cccc(c1I)C 34a_100000761888_100000210210 [0,2,0,0,0,0|2,0,0]=4 25801 B13R1.16 CCCCNc1cccc(c1I)Cl 34a_100000049713_100000210210 [0,2,0,0,0,0|2,0,0]=4 25802 B13R1.16 CCCCNc1cccc(c1I)F 34a_100000690935_100000210210 [0,2,0,0,0,0|2,0,0]=4 25803 B13R1.16 CCCCNc1cccc(c1O)Br 34a_100011934915_100000210210 [0,2,0,0,0,0|2,0,0]=4 25804 B13R1.16 CCCCNc1cccc(c1O)C 34a_100000756359_100000210210 [0,2,0,0,0,0|2,0,0]=4 25805 B13R1.16 CCCCNc1cccc(c1O)Cl 34a_100000754742_100000210210 [0,2,0,0,0,0|2,0,0]=4 25806 B13R1.16 CCCCNc1cccc(c1O)F 34a_100011934987_100000210210 [0,2,0,0,0,0|2,0,0]=4 25807 B13R1.16 CCCCNc1nccc(c1C)F 27a_100000102301_100009846374 [0,2,0,0,0,0|1,0,0]=3 25808 B13R1.16 CCCCNc1ncnc(c1C)C 27a_100000102301_100011438038 [0,2,0,0,0,0|2,0,0]=4 25809 B13R1.16 CCCCNc1ncnc(c1C)N 27a_100000102301_100011913465 [0,2,0,0,0,0|2,0,0]=4 25810 B13R1.16 CCCCNc1ncnc(c1C)O 27a_100000102301_100011912821 [0,2,0,0,0,0|2,0,0]=4 25811 B13R1.16 CCCCNc1ncnc(c1F)C 27a_100000102301_100011671633 [0,2,0,0,0,0|2,0,0]=4 25812 B13R1.16 CCCCNc1ncnc(c1F)N 27a_100000102301_100000126652 [0,2,0,0,0,0|2,0,0]=4 25813 B13R1.16 CCCCOc1cccc(c1Br)Br 34a_100010187966_100000210210 [0,2,0,0,0,0|2,0,0]=4 25814 B13R1.16 CCCCOc1cccc(c1Br)Br 7a_100010187966_100000210211 [0,2,0,0,0,0|2,0,0]=4 25815 B13R1.16 CCCCOc1cccc(c1Br)C 34a_100000686692_100000210210 [0,2,0,0,0,0|2,0,0]=4 25816 B13R1.16 CCCCOc1cccc(c1Br)C 7a_100000686692_100000210211 [0,2,0,0,0,0|2,0,0]=4 25817 B13R1.16 CCCCOc1cccc(c1Br)Cl 34a_100012348804_100000210210 [0,2,0,0,0,0|2,0,0]=4 25818 B13R1.16 CCCCOc1cccc(c1Br)Cl 7a_100012348804_100000210211 [0,2,0,0,0,0|2,0,0]=4 25819 B13R1.16 CCCCOc1cccc(c1Br)F 34a_100009820682_100000210210 [0,2,0,0,0,0|2,0,0]=4 25820 B13R1.16 CCCCOc1cccc(c1Br)F 7a_100009820682_100000210211 [0,2,0,0,0,0|2,0,0]=4 25821 B13R1.16 CCCCOc1cccc(c1Br)I 34a_100010187914_100000210210 [0,2,0,0,0,0|2,0,0]=4 25822 B13R1.16 CCCCOc1cccc(c1Br)I 7a_100010187914_100000210211 [0,2,0,0,0,0|2,0,0]=4 25823 B13R1.16 CCCCOc1cccc(c1Br)N 34a_100012183704_100000210210 [0,2,0,0,0,0|2,0,0]=4 25824 B13R1.16 CCCCOc1cccc(c1Br)N 7a_100012183704_100000210211 [0,2,0,0,0,0|2,0,0]=4 25825 B13R1.16 CCCCOc1cccc(c1C)Br 34a_100012002258_100000210210 [0,2,0,0,0,0|2,0,0]=4 25826 B13R1.16 CCCCOc1cccc(c1C)Br 7a_100012002258_100000210211 [0,2,0,0,0,0|2,0,0]=4 25827 B13R1.16 CCCCOc1cccc(c1C)C 34a_100000185855_100000210210 [0,2,0,0,0,0|2,0,0]=4 25828 B13R1.16 CCCCOc1cccc(c1C)C 7a_100000185855_100000210211 [0,2,0,0,0,0|2,0,0]=4 25829 B13R1.16 CCCCOc1cccc(c1C)Cl 34a_100011265684_100000210210 [0,2,0,0,0,0|2,0,0]=4 25830 B13R1.16 CCCCOc1cccc(c1C)Cl 7a_100011265684_100000210211 [0,2,0,0,0,0|2,0,0]=4 25831 B13R1.16 CCCCOc1cccc(c1C)F 34a_100011217231_100000210210 [0,2,0,0,0,0|2,0,0]=4 25832 B13R1.16 CCCCOc1cccc(c1C)F 7a_100011217231_100000210211 [0,2,0,0,0,0|2,0,0]=4 25833 B13R1.16 CCCCOc1cccc(c1C)N 34a_100011216573_100000210210 [0,2,0,0,0,0|2,0,0]=4 25834 B13R1.16 CCCCOc1cccc(c1C)N 7a_100011216573_100000210211 [0,2,0,0,0,0|2,0,0]=4 25835 B13R1.16 CCCCOc1cccc(c1Cl)Br 34a_100010187913_100000210210 [0,2,0,0,0,0|2,0,0]=4 25836 B13R1.16 CCCCOc1cccc(c1Cl)Br 7a_100010187913_100000210211 [0,2,0,0,0,0|2,0,0]=4 25837 B13R1.16 CCCCOc1cccc(c1Cl)C 34a_100000695629_100000210210 [0,2,0,0,0,0|2,0,0]=4 25838 B13R1.16 CCCCOc1cccc(c1Cl)C 7a_100000695629_100000210211 [0,2,0,0,0,0|2,0,0]=4 25839 B13R1.16 CCCCOc1cccc(c1Cl)Cl 34a_100000211076_100000210210 [0,2,0,0,0,0|2,0,0]=4 25840 B13R1.16 CCCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210211 [0,2,0,0,0,0|2,0,0]=4 25841 B13R1.16 CCCCOc1cccc(c1Cl)F 34a_100000087408_100000210210 [0,2,0,0,0,0|2,0,0]=4 25842 B13R1.16 CCCCOc1cccc(c1Cl)F 7a_100000087408_100000210211 [0,2,0,0,0,0|2,0,0]=4 25843 B13R1.16 CCCCOc1cccc(c1Cl)I 34a_100000049636_100000210210 [0,2,0,0,0,0|2,0,0]=4 25844 B13R1.16 CCCCOc1cccc(c1Cl)I 7a_100000049636_100000210211 [0,2,0,0,0,0|2,0,0]=4 25845 B13R1.16 CCCCOc1cccc(c1Cl)N 34a_100012002038_100000210210 [0,2,0,0,0,0|2,0,0]=4 25846 B13R1.16 CCCCOc1cccc(c1Cl)N 7a_100012002038_100000210211 [0,2,0,0,0,0|2,0,0]=4 25847 B13R1.16 CCCCOc1cccc(c1F)Br 34a_100009817021_100000210210 [0,2,0,0,0,0|2,0,0]=4 25848 B13R1.16 CCCCOc1cccc(c1F)Br 7a_100009817021_100000210211 [0,2,0,0,0,0|2,0,0]=4 25849 B13R1.16 CCCCOc1cccc(c1F)C 34a_100000751311_100000210210 [0,2,0,0,0,0|2,0,0]=4 25850 B13R1.16 CCCCOc1cccc(c1F)C 7a_100000751311_100000210211 [0,2,0,0,0,0|2,0,0]=4 25851 B13R1.16 CCCCOc1cccc(c1F)Cl 34a_100000687438_100000210210 [0,2,0,0,0,0|2,0,0]=4 25852 B13R1.16 CCCCOc1cccc(c1F)Cl 7a_100000687438_100000210211 [0,2,0,0,0,0|2,0,0]=4 25853 B13R1.16 CCCCOc1cccc(c1F)F 34a_100000751161_100000210210 [0,2,0,0,0,0|2,0,0]=4 25854 B13R1.16 CCCCOc1cccc(c1F)F 7a_100000751161_100000210211 [0,2,0,0,0,0|2,0,0]=4 25855 B13R1.16 CCCCOc1cccc(c1I)Br 34a_100010187912_100000210210 [0,2,0,0,0,0|2,0,0]=4 25856 B13R1.16 CCCCOc1cccc(c1I)Br 7a_100010187912_100000210211 [0,2,0,0,0,0|2,0,0]=4 25857 B13R1.16 CCCCOc1cccc(c1I)C 34a_100010083724_100000210210 [0,2,0,0,0,0|2,0,0]=4 25858 B13R1.16 CCCCOc1cccc(c1I)C 7a_100010083724_100000210211 [0,2,0,0,0,0|2,0,0]=4 25859 B13R1.16 CCCCOc1cccc(c1I)Cl 34a_100000050174_100000210210 [0,2,0,0,0,0|2,0,0]=4 25860 B13R1.16 CCCCOc1cccc(c1I)Cl 7a_100000050174_100000210211 [0,2,0,0,0,0|2,0,0]=4 25861 B13R1.16 CCCCOc1cccc(c1I)F 34a_100000690913_100000210210 [0,2,0,0,0,0|2,0,0]=4 25862 B13R1.16 CCCCOc1cccc(c1I)F 7a_100000690913_100000210211 [0,2,0,0,0,0|2,0,0]=4 25863 B13R1.16 CCCCOc1cccc(c1N)Br 34a_100011934926_100000210210 [0,2,0,0,0,0|2,0,0]=4 25864 B13R1.16 CCCCOc1cccc(c1N)Br 7a_100011934926_100000210211 [0,2,0,0,0,0|2,0,0]=4 25865 B13R1.16 CCCCOc1cccc(c1N)C 34a_100000743429_100000210210 [0,2,0,0,0,0|2,0,0]=4 25866 B13R1.16 CCCCOc1cccc(c1N)C 7a_100000743429_100000210211 [0,2,0,0,0,0|2,0,0]=4 25867 B13R1.16 CCCCOc1cccc(c1N)Cl 34a_100012022510_100000210210 [0,2,0,0,0,0|2,0,0]=4 25868 B13R1.16 CCCCOc1cccc(c1N)Cl 7a_100012022510_100000210211 [0,2,0,0,0,0|2,0,0]=4 25869 B13R1.16 CCCCOc1cccc(c1N)F 34a_100020591140_100000210210 [0,2,0,0,0,0|2,0,0]=4 25870 B13R1.16 CCCCOc1cccc(c1N)F 7a_100020591140_100000210211 [0,2,0,0,0,0|2,0,0]=4 25871 B13R1.16 CCCCOc1cccc(c1N)I 34a_200000049512_100000210210 [0,2,0,0,0,0|2,0,0]=4 25872 B13R1.16 CCCCOc1cccc(c1N)I 7a_200000049512_100000210211 [0,2,0,0,0,0|2,0,0]=4 25873 B13R1.16 CCCCOc1cccc(c1N)N 34a_100000033209_100000210210 [0,2,0,0,0,0|2,0,0]=4 25874 B13R1.16 CCCCOc1nccc(c1Br)C 34a_100012000493_100000210210 [0,2,0,0,0,0|1,0,0]=3 25875 B13R1.16 CCCCOc1nccc(c1C)Br 34a_100009858498_100000210210 [0,2,0,0,0,0|1,0,0]=3 25876 B13R1.16 CCCCOc1nccc(c1Cl)N 34a_200000093555_100000210210 [0,2,0,0,0,0|1,0,0]=3 25877 B13R1.16 CCCCOc1ncnc(c1C)C 34a_100000697798_100000210210 [0,2,0,0,0,0|2,0,0]=4 25878 B13R1.16 CCCCOc1ncnc(c1C)Cl 34a_100011912821_100000210210 [0,2,0,0,0,0|2,0,0]=4 25879 B13R1.16 CCCCSc1cccc(=O)n1C 62a_100000210211_100000726605 [0,2,0,0,0,0|1,0,1]=4 25880 B13R1.16 CCCCSc1cccc(=O)n1C 62a_100000726605_100000210210 [0,2,0,0,0,0|1,0,1]=4 25881 B13R1.16 CCCCSc1cccc(c1Br)Br 62a_100000210211_100010175083 [0,2,0,0,0,0|2,0,0]=4 25882 B13R1.16 CCCCSc1cccc(c1Br)Br 62a_100010175083_100000210210 [0,2,0,0,0,0|2,0,0]=4 25883 B13R1.16 CCCCSc1cccc(c1Br)C 62a_100000210211_100012362457 [0,2,0,0,0,0|2,0,0]=4 25884 B13R1.16 CCCCSc1cccc(c1Br)C 62a_100012362457_100000210210 [0,2,0,0,0,0|2,0,0]=4 25885 B13R1.16 CCCCSc1cccc(c1Br)Cl 62a_100000210211_100014021842 [0,2,0,0,0,0|2,0,0]=4 25886 B13R1.16 CCCCSc1cccc(c1Br)Cl 62a_100014021842_100000210210 [0,2,0,0,0,0|2,0,0]=4 25887 B13R1.16 CCCCSc1cccc(c1Br)F 62a_100000210211_100010202630 [0,2,0,0,0,0|2,0,0]=4 25888 B13R1.16 CCCCSc1cccc(c1Br)F 62a_100010202630_100000210210 [0,2,0,0,0,0|2,0,0]=4 25889 B13R1.16 CCCCSc1cccc(c1Br)O 62a_100000210211_100010187914 [0,2,0,0,0,0|2,0,0]=4 25890 B13R1.16 CCCCSc1cccc(c1Br)O 62a_100010187914_100000210210 [0,2,0,0,0,0|2,0,0]=4 25891 B13R1.16 CCCCSc1cccc(c1C)Br 62a_100000210211_100012353703 [0,2,0,0,0,0|2,0,0]=4 25892 B13R1.16 CCCCSc1cccc(c1C)Br 62a_100012353703_100000210210 [0,2,0,0,0,0|2,0,0]=4 25893 B13R1.16 CCCCSc1cccc(c1C)C 62a_100000210211_100011214922 [0,2,0,0,0,0|2,0,0]=4 25894 B13R1.16 CCCCSc1cccc(c1C)C 62a_100011214922_100000210210 [0,2,0,0,0,0|2,0,0]=4 25895 B13R1.16 CCCCSc1cccc(c1C)Cl 62a_100000210211_100000726075 [0,2,0,0,0,0|2,0,0]=4 25896 B13R1.16 CCCCSc1cccc(c1C)Cl 62a_100000726075_100000210210 [0,2,0,0,0,0|2,0,0]=4 25897 B13R1.16 CCCCSc1cccc(c1C)F 62a_100000210211_100011216893 [0,2,0,0,0,0|2,0,0]=4 25898 B13R1.16 CCCCSc1cccc(c1C)F 62a_100011216893_100000210210 [0,2,0,0,0,0|2,0,0]=4 25899 B13R1.16 CCCCSc1cccc(c1C)N 62a_100000210211_100000761887 [0,2,0,0,0,0|2,0,0]=4 25900 B13R1.16 CCCCSc1cccc(c1C)N 62a_100000761887_100000210210 [0,2,0,0,0,0|2,0,0]=4 25901 B13R1.16 CCCCSc1cccc(c1C)O 62a_100000210211_100012002258 [0,2,0,0,0,0|2,0,0]=4 25902 B13R1.16 CCCCSc1cccc(c1C)O 62a_100012002258_100000210210 [0,2,0,0,0,0|2,0,0]=4 25903 B13R1.16 CCCCSc1cccc(c1Cl)Br 62a_100000210211_100010142854 [0,2,0,0,0,0|2,0,0]=4 25904 B13R1.16 CCCCSc1cccc(c1Cl)Br 62a_100010142854_100000210210 [0,2,0,0,0,0|2,0,0]=4 25905 B13R1.16 CCCCSc1cccc(c1Cl)C 62a_100000210211_200012352035 [0,2,0,0,0,0|2,0,0]=4 25906 B13R1.16 CCCCSc1cccc(c1Cl)C 62a_200012352035_100000210210 [0,2,0,0,0,0|2,0,0]=4 25907 B13R1.16 CCCCSc1cccc(c1Cl)Cl 62a_100000210211_100011215384 [0,2,0,0,0,0|2,0,0]=4 25908 B13R1.16 CCCCSc1cccc(c1Cl)Cl 62a_100011215384_100000210210 [0,2,0,0,0,0|2,0,0]=4 25909 B13R1.16 CCCCSc1cccc(c1Cl)F 62a_100000210211_200010234923 [0,2,0,0,0,0|2,0,0]=4 25910 B13R1.16 CCCCSc1cccc(c1Cl)F 62a_200010234923_100000210210 [0,2,0,0,0,0|2,0,0]=4 25911 B13R1.16 CCCCSc1cccc(c1Cl)O 62a_100000210211_100000049636 [0,2,0,0,0,0|2,0,0]=4 25912 B13R1.16 CCCCSc1cccc(c1F)Br 62a_100000210211_100000702267 [0,2,0,0,0,0|2,0,0]=4 25913 B13R1.16 CCCCSc1cccc(c1F)Br 62a_100000702267_100000210210 [0,2,0,0,0,0|2,0,0]=4 25914 B13R1.16 CCCCSc1cccc(c1F)C 62a_100000210211_100000717567 [0,2,0,0,0,0|2,0,0]=4 25915 B13R1.16 CCCCSc1cccc(c1F)C 62a_100000717567_100000210210 [0,2,0,0,0,0|2,0,0]=4 25916 B13R1.16 CCCCSc1cccc(c1F)Cl 62a_100000210211_100011217346 [0,2,0,0,0,0|2,0,0]=4 25917 B13R1.16 CCCCSc1cccc(c1F)Cl 62a_100011217346_100000210210 [0,2,0,0,0,0|2,0,0]=4 25918 B13R1.16 CCCCSc1cccc(c1F)F 62a_100000210211_100000694657 [0,2,0,0,0,0|2,0,0]=4 25919 B13R1.16 CCCCSc1cccc(c1F)F 62a_100000694657_100000210210 [0,2,0,0,0,0|2,0,0]=4 25920 B13R1.16 CCCCSc1cccc(c1F)N 62a_100000210211_100011935091 [0,2,0,0,0,0|2,0,0]=4 25921 B13R1.16 CCCCSc1cccc(c1F)N 62a_100011935091_100000210210 [0,2,0,0,0,0|2,0,0]=4 25922 B13R1.16 CCCCSc1cccc(c1F)O 62a_100000210211_100009817021 [0,2,0,0,0,0|2,0,0]=4 25923 B13R1.16 CCCCSc1cccc(c1F)O 62a_100009817021_100000210210 [0,2,0,0,0,0|2,0,0]=4 25924 B13R1.16 CCCCSc1cccc(c1N)Br 62a_100000210211_100010146558 [0,2,0,0,0,0|2,0,0]=4 25925 B13R1.16 CCCCSc1cccc(c1N)Br 62a_100010146558_100000210210 [0,2,0,0,0,0|2,0,0]=4 25926 B13R1.16 CCCCSc1cccc(c1N)C 62a_100000210211_100011834072 [0,2,0,0,0,0|2,0,0]=4 25927 B13R1.16 CCCCSc1cccc(c1N)C 62a_100011834072_100000210210 [0,2,0,0,0,0|2,0,0]=4 25928 B13R1.16 CCCCSc1cccc(c1N)Cl 62a_100000210211_100010190421 [0,2,0,0,0,0|2,0,0]=4 25929 B13R1.16 CCCCSc1cccc(c1N)Cl 62a_100010190421_100000210210 [0,2,0,0,0,0|2,0,0]=4 25930 B13R1.16 CCCCSc1cccc(c1N)F 62a_100000042321_100000210210 [0,2,0,0,0,0|2,0,0]=4 25931 B13R1.16 CCCCSc1cccc(c1N)F 62a_100000210211_100000042321 [0,2,0,0,0,0|2,0,0]=4 25932 B13R1.16 CCCCSc1cccc(c1N)N 62a_100015191791_100000210210 [0,2,0,0,0,0|2,0,0]=4 25933 B13R1.16 CCCCSc1cccc(c1N)O 62a_100000210211_100011934926 [0,2,0,0,0,0|2,0,0]=4 25934 B13R1.16 CCCCSc1cccc(c1O)Br 62a_100000210211_100010084509 [0,2,0,0,0,0|2,0,0]=4 25935 B13R1.16 CCCCSc1cccc(c1O)Br 62a_100010084509_100000210210 [0,2,0,0,0,0|2,0,0]=4 25936 B13R1.16 CCCCSc1cccc(c1O)C 62a_100000210211_100009817157 [0,2,0,0,0,0|2,0,0]=4 25937 B13R1.16 CCCCSc1cccc(c1O)C 62a_100009817157_100000210210 [0,2,0,0,0,0|2,0,0]=4 25938 B13R1.16 CCCCSc1cccc(c1O)Cl 62a_100000210211_100010202889 [0,2,0,0,0,0|2,0,0]=4 25939 B13R1.16 CCCCSc1cccc(c1O)Cl 62a_100010202889_100000210210 [0,2,0,0,0,0|2,0,0]=4 25940 B13R1.16 CCCCSc1cccc(c1O)F 62a_100000210211_100009813666 [0,2,0,0,0,0|2,0,0]=4 25941 B13R1.16 CCCCSc1cccc(c1O)F 62a_100009813666_100000210210 [0,2,0,0,0,0|2,0,0]=4 25942 B13R1.16 CCCCSc1cccc(c1O)N 62a_100000210211_100010084371 [0,2,0,0,0,0|2,0,0]=4 25943 B13R1.16 CCCCSc1cccc(c1O)N 62a_100011934915_100000210210 [0,2,0,0,0,0|2,0,0]=4 25944 B13R1.16 CCCCSc1cccc(c1O)O 62a_100000210211_100009815950 [0,2,0,0,0,0|2,0,0]=4 25945 B13R1.16 CCCCSc1nccc(c1C)C 62a_100000210211_100009847204 [0,2,0,0,0,0|1,0,0]=3 25946 B13R1.16 CCCCSc1nccc(c1C)C 62a_100009847204_100000210210 [0,2,0,0,0,0|1,0,0]=3 25947 B13R1.16 CCCCSc1nccc(c1C)F 62a_100000210211_100009846374 [0,2,0,0,0,0|1,0,0]=3 25948 B13R1.16 CCCCSc1nccc(c1C)F 62a_100009846374_100000210210 [0,2,0,0,0,0|1,0,0]=3 25949 B13R1.16 CCCCSc1nccc(c1C)N 62a_100000210211_100000690622 [0,2,0,0,0,0|1,0,0]=3 25950 B13R1.16 CCCCSc1nccc(c1C)N 62a_100000690622_100000210210 [0,2,0,0,0,0|1,0,0]=3 25951 B13R1.16 CCCCSc1nccc(c1F)C 62a_100000210211_100009817629 [0,2,0,0,0,0|1,0,0]=3 25952 B13R1.16 CCCCSc1nccc(c1F)C 62a_100009817629_100000210210 [0,2,0,0,0,0|1,0,0]=3 25953 B13R1.16 CCCCSc1nccc(c1F)N 62a_100000210211_100015205195 [0,2,0,0,0,0|1,0,0]=3 25954 B13R1.16 CCCCSc1nccc(c1F)N 62a_100015205195_100000210210 [0,2,0,0,0,0|1,0,0]=3 25955 B13R1.16 CCCCSc1nccc(c1F)O 62a_100000210211_100009876375 [0,2,0,0,0,0|1,0,0]=3 25956 B13R1.16 CCCCSc1nccc(c1F)O 62a_100009876375_100000210210 [0,2,0,0,0,0|1,0,0]=3 25957 B13R1.16 CCCCSc1nccc(c1N)C 62a_100000210211_100000763560 [0,2,0,0,0,0|1,0,0]=3 25958 B13R1.16 CCCCSc1nccc(c1N)C 62a_100000763560_100000210210 [0,2,0,0,0,0|1,0,0]=3 25959 B13R1.16 CCCCSc1nccc(c1N)N 62a_100000085203_100000210210 [0,2,0,0,0,0|1,0,0]=3 25960 B13R1.16 CCCCSc1nccc(c1N)N 62a_100000210211_100000085203 [0,2,0,0,0,0|1,0,0]=3 25961 B13R1.16 CCCCSc1nccc(c1O)C 62a_100000210211_100000696282 [0,2,0,0,0,0|1,0,0]=3 25962 B13R1.16 CCCCSc1nccc(c1O)F 62a_100000210211_100009867227 [0,2,0,0,0,0|1,0,0]=3 25963 B13R1.16 CCCCSc1nccc(c1O)N 62a_100000210211_100009844647 [0,2,0,0,0,0|1,0,0]=3 25964 B13R1.16 CCCCSc1ncnc(c1C)C 62a_100000210211_100011438038 [0,2,0,0,0,0|2,0,0]=4 25965 B13R1.16 CCCCSc1ncnc(c1C)C 62a_100011438038_100000210210 [0,2,0,0,0,0|2,0,0]=4 25966 B13R1.16 CCCCSc1ncnc(c1C)N 62a_100000210211_100011913465 [0,2,0,0,0,0|2,0,0]=4 25967 B13R1.16 CCCCSc1ncnc(c1C)N 62a_100011913465_100000210210 [0,2,0,0,0,0|2,0,0]=4 25968 B13R1.16 CCCCSc1ncnc(c1C)O 62a_100000210211_100011912821 [0,2,0,0,0,0|2,0,0]=4 25969 B13R1.16 CCCCSc1ncnc(c1F)C 62a_100000210211_100011671633 [0,2,0,0,0,0|2,0,0]=4 25970 B13R1.16 CCCCSc1ncnc(c1F)C 62a_100011671633_100000210210 [0,2,0,0,0,0|2,0,0]=4 25971 B13R1.16 CCCCSc1ncnc(c1F)N 62a_100000126652_100000210210 [0,2,0,0,0,0|2,0,0]=4 25972 B13R1.16 CCCCSc1ncnc(c1F)N 62a_100000210211_100000126652 [0,2,0,0,0,0|2,0,0]=4 25973 B13R1.16 CCCCSc1ncnc(c1N)N 62a_100000210211_100000766367 [0,2,0,0,0,0|2,0,0]=4 25974 B13R1.16 CCCCSc1ncnc(c1N)N 62a_100000766367_100000210210 [0,2,0,0,0,0|2,0,0]=4 25975 B13R1.16 CCCCSc1ncnc(c1N)O 62a_100000210211_100011795086 [0,2,0,0,0,0|2,0,0]=4 25976 B13R1.16 CCCCSc1ncnc(c1O)N 62a_100000210211_100000124137 [0,2,0,0,0,0|2,0,0]=4 25977 B13R1.16 CCCCSc1nncc(c1C)N 62a_100000210211_200011012966 [0,2,0,0,0,0|2,0,0]=4 25978 B13R1.16 CCCCSc1nncc(c1C)N 62a_200011012966_100000210210 [0,2,0,0,0,0|2,0,0]=4 25979 B13R1.16 CCCNCc1cccc(c1Br)Br 207a_100020643023_100010240334 [0,2,0,0,0,0|2,0,0]=4 25980 B13R1.16 CCCNCc1cccc(c1Br)Br 270004a_100020643023_100010240334 [0,2,0,0,0,0|2,0,0]=4 25981 B13R1.16 CCCNCc1cccc(c1Br)C 207a_100020643023_100012186367 [0,2,0,0,0,0|2,0,0]=4 25982 B13R1.16 CCCNCc1cccc(c1Br)C 270004a_100020643023_100012186367 [0,2,0,0,0,0|2,0,0]=4 25983 B13R1.16 CCCNCc1cccc(c1Br)Cl 207a_100020643023_100010232083 [0,2,0,0,0,0|2,0,0]=4 25984 B13R1.16 CCCNCc1cccc(c1Br)Cl 270004a_100020643023_100010232083 [0,2,0,0,0,0|2,0,0]=4 25985 B13R1.16 CCCNCc1cccc(c1Br)F 207a_100020643023_100011934749 [0,2,0,0,0,0|2,0,0]=4 25986 B13R1.16 CCCNCc1cccc(c1Br)F 2230a_100020638964_100000210303 [0,2,0,0,0,0|2,0,0]=4 25987 B13R1.16 CCCNCc1cccc(c1Br)F 270004a_100020643023_100011934749 [0,2,0,0,0,0|2,0,0]=4 25988 B13R1.16 CCCNCc1cccc(c1Br)F 34a_100020638964_100000210303 [0,2,0,0,0,0|2,0,0]=4 25989 B13R1.16 CCCNCc1cccc(c1C)Br 207a_100020643023_100012179384 [0,2,0,0,0,0|2,0,0]=4 25990 B13R1.16 CCCNCc1cccc(c1C)Br 270004a_100020643023_100012179384 [0,2,0,0,0,0|2,0,0]=4 25991 B13R1.16 CCCNCc1cccc(c1C)Br 34a_100000724210_100000210303 [0,2,0,0,0,0|2,0,0]=4 25992 B13R1.16 CCCNCc1cccc(c1C)C 207a_100020643023_100000229941 [0,2,0,0,0,0|2,0,0]=4 25993 B13R1.16 CCCNCc1cccc(c1C)C 2230a_100011211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 25994 B13R1.16 CCCNCc1cccc(c1C)C 270004a_100020643023_100000229941 [0,2,0,0,0,0|2,0,0]=4 25995 B13R1.16 CCCNCc1cccc(c1C)C 34a_100011211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 25996 B13R1.16 CCCNCc1cccc(c1C)Cl 207a_100020643023_100012002129 [0,2,0,0,0,0|2,0,0]=4 25997 B13R1.16 CCCNCc1cccc(c1C)Cl 2230a_100020639605_100000210303 [0,2,0,0,0,0|2,0,0]=4 25998 B13R1.16 CCCNCc1cccc(c1C)Cl 270004a_100020643023_100012002129 [0,2,0,0,0,0|2,0,0]=4 25999 B13R1.16 CCCNCc1cccc(c1C)Cl 34a_100020639605_100000210303 [0,2,0,0,0,0|2,0,0]=4 26000 B13R1.16 CCCNCc1cccc(c1C)F 207a_100020643023_100000037668 [0,2,0,0,0,0|2,0,0]=4 26001 B13R1.16 CCCNCc1cccc(c1C)F 2230a_100132306986_100000210303 [0,2,0,0,0,0|2,0,0]=4 26002 B13R1.16 CCCNCc1cccc(c1C)F 270004a_100020643023_100000037668 [0,2,0,0,0,0|2,0,0]=4 26003 B13R1.16 CCCNCc1cccc(c1C)F 34a_100132306986_100000210303 [0,2,0,0,0,0|2,0,0]=4 26004 B13R1.16 CCCNCc1cccc(c1C)O 270004a_100020643023_100009868165 [0,2,0,0,0,0|2,0,0]=4 26005 B13R1.16 CCCNCc1cccc(c1Cl)Br 207a_100020643023_100012362481 [0,2,0,0,0,0|2,0,0]=4 26006 B13R1.16 CCCNCc1cccc(c1Cl)Br 270004a_100020643023_100012362481 [0,2,0,0,0,0|2,0,0]=4 26007 B13R1.16 CCCNCc1cccc(c1Cl)C 207a_100020643023_100012017286 [0,2,0,0,0,0|2,0,0]=4 26008 B13R1.16 CCCNCc1cccc(c1Cl)C 2230a_100025705714_100000210303 [0,2,0,0,0,0|2,0,0]=4 26009 B13R1.16 CCCNCc1cccc(c1Cl)C 270004a_100020643023_100012017286 [0,2,0,0,0,0|2,0,0]=4 26010 B13R1.16 CCCNCc1cccc(c1Cl)C 34a_100025705714_100000210303 [0,2,0,0,0,0|2,0,0]=4 26011 B13R1.16 CCCNCc1cccc(c1Cl)Cl 207a_100020643023_100000210504 [0,2,0,0,0,0|2,0,0]=4 26012 B13R1.16 CCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210303 [0,2,0,0,0,0|2,0,0]=4 26013 B13R1.16 CCCNCc1cccc(c1Cl)Cl 270004a_100020643023_100000210504 [0,2,0,0,0,0|2,0,0]=4 26014 B13R1.16 CCCNCc1cccc(c1Cl)Cl 34a_100011211633_100000210303 [0,2,0,0,0,0|2,0,0]=4 26015 B13R1.16 CCCNCc1cccc(c1Cl)F 207a_100020643023_100011998484 [0,2,0,0,0,0|2,0,0]=4 26016 B13R1.16 CCCNCc1cccc(c1Cl)F 2230a_100012001614_100000210303 [0,2,0,0,0,0|2,0,0]=4 26017 B13R1.16 CCCNCc1cccc(c1Cl)F 270004a_100020643023_100011998484 [0,2,0,0,0,0|2,0,0]=4 26018 B13R1.16 CCCNCc1cccc(c1Cl)F 34a_100012001614_100000210303 [0,2,0,0,0,0|2,0,0]=4 26019 B13R1.16 CCCNCc1cccc(c1Cl)O 270004a_100020643023_100000050521 [0,2,0,0,0,0|2,0,0]=4 26020 B13R1.16 CCCNCc1cccc(c1F)Br 207a_100020643023_100011361543 [0,2,0,0,0,0|2,0,0]=4 26021 B13R1.16 CCCNCc1cccc(c1F)Br 2230a_100015189953_100000210303 [0,2,0,0,0,0|2,0,0]=4 26022 B13R1.16 CCCNCc1cccc(c1F)Br 270004a_100020643023_100011361543 [0,2,0,0,0,0|2,0,0]=4 26023 B13R1.16 CCCNCc1cccc(c1F)Br 34a_100015189953_100000210303 [0,2,0,0,0,0|2,0,0]=4 26024 B13R1.16 CCCNCc1cccc(c1F)C 207a_100020643023_100011219516 [0,2,0,0,0,0|2,0,0]=4 26025 B13R1.16 CCCNCc1cccc(c1F)C 2230a_100012002060_100000210303 [0,2,0,0,0,0|2,0,0]=4 26026 B13R1.16 CCCNCc1cccc(c1F)C 270004a_100020643023_100011219516 [0,2,0,0,0,0|2,0,0]=4 26027 B13R1.16 CCCNCc1cccc(c1F)C 34a_100012002060_100000210303 [0,2,0,0,0,0|2,0,0]=4 26028 B13R1.16 CCCNCc1cccc(c1F)Cl 207a_100020643023_100000766533 [0,2,0,0,0,0|2,0,0]=4 26029 B13R1.16 CCCNCc1cccc(c1F)Cl 2230a_100000764326_100000210303 [0,2,0,0,0,0|2,0,0]=4 26030 B13R1.16 CCCNCc1cccc(c1F)Cl 270004a_100020643023_100000766533 [0,2,0,0,0,0|2,0,0]=4 26031 B13R1.16 CCCNCc1cccc(c1F)Cl 34a_100000764326_100000210303 [0,2,0,0,0,0|2,0,0]=4 26032 B13R1.16 CCCNCc1cccc(c1F)F 207a_100020643023_100000753312 [0,2,0,0,0,0|2,0,0]=4 26033 B13R1.16 CCCNCc1cccc(c1F)F 2230a_100011199105_100000210303 [0,2,0,0,0,0|2,0,0]=4 26034 B13R1.16 CCCNCc1cccc(c1F)F 270004a_100020643023_100000753312 [0,2,0,0,0,0|2,0,0]=4 26035 B13R1.16 CCCNCc1cccc(c1F)F 34a_100011199105_100000210303 [0,2,0,0,0,0|2,0,0]=4 26036 B13R1.16 CCCNCc1cccc(c1F)I 207a_100020643023_100010202174 [0,2,0,0,0,0|2,0,0]=4 26037 B13R1.16 CCCNCc1cccc(c1F)I 270004a_100020643023_100010202174 [0,2,0,0,0,0|2,0,0]=4 26038 B13R1.16 CCCNCc1cccc(c1F)O 271570a_203496583355_200012662976 [0,2,0,0,0,0|2,0,0]=4 26039 B13R1.16 CCCNCc1cccc(c1F)O 34a_100025773512_100000210303 [0,2,0,0,0,0|2,0,0]=4 26040 B13R1.16 CCCNCc1cccc(c1I)F 207a_100020643023_100010186293 [0,2,0,0,0,0|2,0,0]=4 26041 B13R1.16 CCCNCc1cccc(c1I)F 270004a_100020643023_100010186293 [0,2,0,0,0,0|2,0,0]=4 26042 B13R1.16 CCCNCc1cccc(c1O)C 34a_100020639391_100000210303 [0,2,0,0,0,0|2,0,0]=4 26043 B13R1.16 CCCNCc1nccc(c1F)Br 270004a_100020643023_100015713984 [0,2,0,0,0,0|1,0,0]=3 26044 B13R1.16 CCCOCc1cccc(c1Br)C 34a_100000210258_200012349612 [0,2,0,0,0,0|2,0,0]=4 26045 B13R1.16 CCCOCc1cccc(c1Br)C 34a_100011659289_100000210303 [0,2,0,0,0,0|2,0,0]=4 26046 B13R1.16 CCCOCc1cccc(c1Br)C 7a_100011659289_100000210303 [0,2,0,0,0,0|2,0,0]=4 26047 B13R1.16 CCCOCc1cccc(c1Br)Cl 34a_100000210258_100010145525 [0,2,0,0,0,0|2,0,0]=4 26048 B13R1.16 CCCOCc1cccc(c1Br)Cl 34a_100010168166_100000210303 [0,2,0,0,0,0|2,0,0]=4 26049 B13R1.16 CCCOCc1cccc(c1Br)Cl 7a_100010168166_100000210303 [0,2,0,0,0,0|2,0,0]=4 26050 B13R1.16 CCCOCc1cccc(c1Br)F 34a_100000210258_100012351116 [0,2,0,0,0,0|2,0,0]=4 26051 B13R1.16 CCCOCc1cccc(c1Br)F 34a_100012351117_100000210303 [0,2,0,0,0,0|2,0,0]=4 26052 B13R1.16 CCCOCc1cccc(c1Br)F 7a_100012351117_100000210303 [0,2,0,0,0,0|2,0,0]=4 26053 B13R1.16 CCCOCc1cccc(c1Br)I 34a_100000210258_100010254545 [0,2,0,0,0,0|2,0,0]=4 26054 B13R1.16 CCCOCc1cccc(c1Br)I 34a_100010240205_100000210303 [0,2,0,0,0,0|2,0,0]=4 26055 B13R1.16 CCCOCc1cccc(c1Br)I 7a_100010240205_100000210303 [0,2,0,0,0,0|2,0,0]=4 26056 B13R1.16 CCCOCc1cccc(c1C)Br 34a_100000210258_100000694682 [0,2,0,0,0,0|2,0,0]=4 26057 B13R1.16 CCCOCc1cccc(c1C)Br 34a_100000694458_100000210303 [0,2,0,0,0,0|2,0,0]=4 26058 B13R1.16 CCCOCc1cccc(c1C)Br 7a_100000694458_100000210303 [0,2,0,0,0,0|2,0,0]=4 26059 B13R1.16 CCCOCc1cccc(c1C)C 34a_100000210258_100011273979 [0,2,0,0,0,0|2,0,0]=4 26060 B13R1.16 CCCOCc1cccc(c1C)C 34a_100011219135_100000210303 [0,2,0,0,0,0|2,0,0]=4 26061 B13R1.16 CCCOCc1cccc(c1C)C 7a_100011219135_100000210303 [0,2,0,0,0,0|2,0,0]=4 26062 B13R1.16 CCCOCc1cccc(c1C)Cl 34a_100000210258_100012186920 [0,2,0,0,0,0|2,0,0]=4 26063 B13R1.16 CCCOCc1cccc(c1C)Cl 34a_100012000165_100000210303 [0,2,0,0,0,0|2,0,0]=4 26064 B13R1.16 CCCOCc1cccc(c1C)Cl 7a_100012000165_100000210303 [0,2,0,0,0,0|2,0,0]=4 26065 B13R1.16 CCCOCc1cccc(c1C)F 34a_100000042775_100000210303 [0,2,0,0,0,0|2,0,0]=4 26066 B13R1.16 CCCOCc1cccc(c1C)F 34a_100000210258_100009813626 [0,2,0,0,0,0|2,0,0]=4 26067 B13R1.16 CCCOCc1cccc(c1C)F 7a_100000042775_100000210303 [0,2,0,0,0,0|2,0,0]=4 26068 B13R1.16 CCCOCc1cccc(c1C)I 34a_100000210258_100010150147 [0,2,0,0,0,0|2,0,0]=4 26069 B13R1.16 CCCOCc1cccc(c1C)I 34a_100010150139_100000210303 [0,2,0,0,0,0|2,0,0]=4 26070 B13R1.16 CCCOCc1cccc(c1C)I 7a_100010150139_100000210303 [0,2,0,0,0,0|2,0,0]=4 26071 B13R1.16 CCCOCc1cccc(c1C)N 34a_102495339961_100000210303 [0,2,0,0,0,0|2,0,0]=4 26072 B13R1.16 CCCOCc1cccc(c1C)N 7a_102495339961_100000210303 [0,2,0,0,0,0|2,0,0]=4 26073 B13R1.16 CCCOCc1cccc(c1Cl)Br 34a_100000210258_100012349491 [0,2,0,0,0,0|2,0,0]=4 26074 B13R1.16 CCCOCc1cccc(c1Cl)Br 34a_100012351182_100000210303 [0,2,0,0,0,0|2,0,0]=4 26075 B13R1.16 CCCOCc1cccc(c1Cl)Br 7a_100012351182_100000210303 [0,2,0,0,0,0|2,0,0]=4 26076 B13R1.16 CCCOCc1cccc(c1Cl)C 34a_100000710031_100000210303 [0,2,0,0,0,0|2,0,0]=4 26077 B13R1.16 CCCOCc1cccc(c1Cl)C 7a_100000710031_100000210303 [0,2,0,0,0,0|2,0,0]=4 26078 B13R1.16 CCCOCc1cccc(c1Cl)Cl 34a_100000210258_100000723366 [0,2,0,0,0,0|2,0,0]=4 26079 B13R1.16 CCCOCc1cccc(c1Cl)Cl 34a_100000720469_100000210303 [0,2,0,0,0,0|2,0,0]=4 26080 B13R1.16 CCCOCc1cccc(c1Cl)Cl 7a_100000720469_100000210303 [0,2,0,0,0,0|2,0,0]=4 26081 B13R1.16 CCCOCc1cccc(c1Cl)F 34a_100000210258_100000696688 [0,2,0,0,0,0|2,0,0]=4 26082 B13R1.16 CCCOCc1cccc(c1Cl)F 34a_100000696319_100000210303 [0,2,0,0,0,0|2,0,0]=4 26083 B13R1.16 CCCOCc1cccc(c1Cl)F 7a_100000696319_100000210303 [0,2,0,0,0,0|2,0,0]=4 26084 B13R1.16 CCCOCc1cccc(c1F)Br 34a_100000210258_100012356506 [0,2,0,0,0,0|2,0,0]=4 26085 B13R1.16 CCCOCc1cccc(c1F)Br 34a_100011935076_100000210303 [0,2,0,0,0,0|2,0,0]=4 26086 B13R1.16 CCCOCc1cccc(c1F)Br 7a_100011935076_100000210303 [0,2,0,0,0,0|2,0,0]=4 26087 B13R1.16 CCCOCc1cccc(c1F)C 34a_100000210258_100011216058 [0,2,0,0,0,0|2,0,0]=4 26088 B13R1.16 CCCOCc1cccc(c1F)C 34a_200011219517_100000210303 [0,2,0,0,0,0|2,0,0]=4 26089 B13R1.16 CCCOCc1cccc(c1F)C 7a_200011219517_100000210303 [0,2,0,0,0,0|2,0,0]=4 26090 B13R1.16 CCCOCc1cccc(c1F)Cl 34a_100000210258_100000716733 [0,2,0,0,0,0|2,0,0]=4 26091 B13R1.16 CCCOCc1cccc(c1F)Cl 34a_100011216988_100000210303 [0,2,0,0,0,0|2,0,0]=4 26092 B13R1.16 CCCOCc1cccc(c1F)Cl 7a_100011216988_100000210303 [0,2,0,0,0,0|2,0,0]=4 26093 B13R1.16 CCCOCc1cccc(c1F)F 34a_100000210258_100000217499 [0,2,0,0,0,0|2,0,0]=4 26094 B13R1.16 CCCOCc1cccc(c1F)F 34a_100011218644_100000210303 [0,2,0,0,0,0|2,0,0]=4 26095 B13R1.16 CCCOCc1cccc(c1F)F 7a_100011218644_100000210303 [0,2,0,0,0,0|2,0,0]=4 26096 B13R1.16 CCCOCc1cccc(c1F)I 34a_200010235739_100000210303 [0,2,0,0,0,0|2,0,0]=4 26097 B13R1.16 CCCOCc1cccc(c1F)I 7a_200010235739_100000210303 [0,2,0,0,0,0|2,0,0]=4 26098 B13R1.16 CCCOCc1cccc(c1F)N 34a_100012023829_100000210303 [0,2,0,0,0,0|2,0,0]=4 26099 B13R1.16 CCCOCc1cccc(c1I)Br 34a_100010146604_100000210303 [0,2,0,0,0,0|2,0,0]=4 26100 B13R1.16 CCCOCc1cccc(c1I)Br 7a_100010146604_100000210303 [0,2,0,0,0,0|2,0,0]=4 26101 B13R1.16 CCCOCc1cccc(c1I)C 34a_100012349780_100000210303 [0,2,0,0,0,0|2,0,0]=4 26102 B13R1.16 CCCOCc1cccc(c1I)C 7a_100012349780_100000210303 [0,2,0,0,0,0|2,0,0]=4 26103 B13R1.16 CCCOCc1cccc(c1I)F 34a_100000210258_100010149603 [0,2,0,0,0,0|2,0,0]=4 26104 B13R1.16 CCCOCc1cccc(c1I)F 34a_100000692438_100000210303 [0,2,0,0,0,0|2,0,0]=4 26105 B13R1.16 CCCOCc1cccc(c1I)F 7a_100000692438_100000210303 [0,2,0,0,0,0|2,0,0]=4 26106 B13R1.16 CCCOCc1cccc(c1N)Br 34a_100012349457_100000210303 [0,2,0,0,0,0|2,0,0]=4 26107 B13R1.16 CCCOCc1cccc(c1N)C 34a_100011215590_100000210303 [0,2,0,0,0,0|2,0,0]=4 26108 B13R1.16 CCCOCc1cccc(c1N)Cl 34a_100012182729_100000210303 [0,2,0,0,0,0|2,0,0]=4 26109 B13R1.16 CCCOCc1cccc(c1N)F 34a_100000692437_100000210303 [0,2,0,0,0,0|2,0,0]=4 26110 B13R1.16 CCCOCc1nccc(c1C)Cl 34a_100000210258_100020614443 [0,2,0,0,0,0|1,0,0]=3 26111 B13R1.16 CCCSCc1cccc(c1Br)C 62a_100000210303_200012349612 [0,2,0,0,0,0|2,0,0]=4 26112 B13R1.16 CCCSCc1cccc(c1Br)C 62a_200012349612_100000210303 [0,2,0,0,0,0|2,0,0]=4 26113 B13R1.16 CCCSCc1cccc(c1Br)Cl 62a_100000210303_100010145525 [0,2,0,0,0,0|2,0,0]=4 26114 B13R1.16 CCCSCc1cccc(c1Br)Cl 62a_100010145525_100000210303 [0,2,0,0,0,0|2,0,0]=4 26115 B13R1.16 CCCSCc1cccc(c1Br)F 62a_100000210303_100012351116 [0,2,0,0,0,0|2,0,0]=4 26116 B13R1.16 CCCSCc1cccc(c1Br)F 62a_100012351116_100000210303 [0,2,0,0,0,0|2,0,0]=4 26117 B13R1.16 CCCSCc1cccc(c1Br)I 62a_100000210303_100010254545 [0,2,0,0,0,0|2,0,0]=4 26118 B13R1.16 CCCSCc1cccc(c1Br)I 62a_100010254545_100000210303 [0,2,0,0,0,0|2,0,0]=4 26119 B13R1.16 CCCSCc1cccc(c1C)Br 62a_100000210303_100000694682 [0,2,0,0,0,0|2,0,0]=4 26120 B13R1.16 CCCSCc1cccc(c1C)Br 62a_100000694682_100000210303 [0,2,0,0,0,0|2,0,0]=4 26121 B13R1.16 CCCSCc1cccc(c1C)C 62a_100000210303_100011515928 [0,2,0,0,0,0|2,0,0]=4 26122 B13R1.16 CCCSCc1cccc(c1C)C 62a_100011515928_100000210303 [0,2,0,0,0,0|2,0,0]=4 26123 B13R1.16 CCCSCc1cccc(c1C)Cl 62a_100000210303_100012186920 [0,2,0,0,0,0|2,0,0]=4 26124 B13R1.16 CCCSCc1cccc(c1C)Cl 62a_100012186920_100000210303 [0,2,0,0,0,0|2,0,0]=4 26125 B13R1.16 CCCSCc1cccc(c1C)F 62a_100000210303_100009813626 [0,2,0,0,0,0|2,0,0]=4 26126 B13R1.16 CCCSCc1cccc(c1C)F 62a_100009813626_100000210303 [0,2,0,0,0,0|2,0,0]=4 26127 B13R1.16 CCCSCc1cccc(c1C)I 62a_100000210303_100010150147 [0,2,0,0,0,0|2,0,0]=4 26128 B13R1.16 CCCSCc1cccc(c1C)I 62a_100010150147_100000210303 [0,2,0,0,0,0|2,0,0]=4 26129 B13R1.16 CCCSCc1cccc(c1Cl)Br 62a_100000210303_100012349491 [0,2,0,0,0,0|2,0,0]=4 26130 B13R1.16 CCCSCc1cccc(c1Cl)Br 62a_100012349491_100000210303 [0,2,0,0,0,0|2,0,0]=4 26131 B13R1.16 CCCSCc1cccc(c1Cl)Cl 62a_100000210303_100000723366 [0,2,0,0,0,0|2,0,0]=4 26132 B13R1.16 CCCSCc1cccc(c1Cl)Cl 62a_100000720918_100000210303 [0,2,0,0,0,0|2,0,0]=4 26133 B13R1.16 CCCSCc1cccc(c1Cl)F 62a_100000210303_100000696688 [0,2,0,0,0,0|2,0,0]=4 26134 B13R1.16 CCCSCc1cccc(c1Cl)F 62a_100000696688_100000210303 [0,2,0,0,0,0|2,0,0]=4 26135 B13R1.16 CCCSCc1cccc(c1F)Br 62a_100000210303_100012356506 [0,2,0,0,0,0|2,0,0]=4 26136 B13R1.16 CCCSCc1cccc(c1F)Br 62a_100012356506_100000210303 [0,2,0,0,0,0|2,0,0]=4 26137 B13R1.16 CCCSCc1cccc(c1F)C 62a_100000210303_100011216058 [0,2,0,0,0,0|2,0,0]=4 26138 B13R1.16 CCCSCc1cccc(c1F)C 62a_100011216058_100000210303 [0,2,0,0,0,0|2,0,0]=4 26139 B13R1.16 CCCSCc1cccc(c1F)Cl 62a_100000210303_100000716733 [0,2,0,0,0,0|2,0,0]=4 26140 B13R1.16 CCCSCc1cccc(c1F)Cl 62a_100000716733_100000210303 [0,2,0,0,0,0|2,0,0]=4 26141 B13R1.16 CCCSCc1cccc(c1F)F 62a_100000210303_100000217499 [0,2,0,0,0,0|2,0,0]=4 26142 B13R1.16 CCCSCc1cccc(c1F)F 62a_100000217499_100000210303 [0,2,0,0,0,0|2,0,0]=4 26143 B13R1.16 CCCSCc1cccc(c1I)F 62a_100000210303_100010149603 [0,2,0,0,0,0|2,0,0]=4 26144 B13R1.16 CCCSCc1cccc(c1I)F 62a_100010149603_100000210303 [0,2,0,0,0,0|2,0,0]=4 26145 B13R1.16 CCCSCc1nccc(c1C)Cl 62a_100000210303_100020614443 [0,2,0,0,0,0|1,0,0]=3 26146 B13R1.16 CCCSCc1nccc(c1C)Cl 62a_100020614443_100000210303 [0,2,0,0,0,0|1,0,0]=3 26147 B13R1.16 CCNCCc1cccc(c1C)Br 2230a_100161000114_100000210202 [0,2,0,0,0,0|2,0,0]=4 26148 B13R1.16 CCNCCc1cccc(c1C)Br 34a_100161000114_100000210202 [0,2,0,0,0,0|2,0,0]=4 26149 B13R1.16 CCNCCc1cccc(c1Cl)Cl 2230a_100000741019_100000210202 [0,2,0,0,0,0|2,0,0]=4 26150 B13R1.16 CCNCCc1cccc(c1Cl)Cl 2230a_100015525214_100000723033 [0,2,0,0,0,0|2,0,0]=4 26151 B13R1.16 CCNCCc1cccc(c1Cl)Cl 34a_100000741019_100000210202 [0,2,0,0,0,0|2,0,0]=4 26152 B13R1.16 CCOCCc1cccc(c1Cl)Cl 34a_100011754357_100000210202 [0,2,0,0,0,0|2,0,0]=4 26153 B13R1.16 CCOCCc1cccc(c1Cl)Cl 34a_100121572206_100000723033 [0,2,0,0,0,0|2,0,0]=4 26154 B13R1.16 CCOCCc1cccc(c1Cl)Cl 7a_100011754357_100000210202 [0,2,0,0,0,0|2,0,0]=4 26155 B13R1.16 CCOCCc1cccc(c1F)Cl 34a_100011830271_100000210202 [0,2,0,0,0,0|2,0,0]=4 26156 B13R1.16 CCOCCc1cccc(c1F)Cl 7a_100011830271_100000210202 [0,2,0,0,0,0|2,0,0]=4 26157 B13R1.16 CCOCCc1cccc(c1F)F 34a_100000698707_100000210202 [0,2,0,0,0,0|2,0,0]=4 26158 B13R1.16 CCOCCc1cccc(c1F)F 7a_100000698707_100000210202 [0,2,0,0,0,0|2,0,0]=4 26159 B13R1.16 CCOCSc1nccc(c1C)C 62a_100000739092_100009847204 [0,2,0,0,0,0|2,0,0]=4 26160 B13R1.16 CCOCSc1nccc(c1C)C 62a_100009847204_100000739092 [0,2,0,0,0,0|2,0,0]=4 26161 B13R1.16 CCOCSc1nccc(c1C)F 62a_100000739092_100009846374 [0,2,0,0,0,0|2,0,0]=4 26162 B13R1.16 CCOCSc1nccc(c1C)F 62a_100009846374_100000739092 [0,2,0,0,0,0|2,0,0]=4 26163 B13R1.16 CCOCSc1nccc(c1C)N 62a_100000690622_100000739092 [0,2,0,0,0,0|2,0,0]=4 26164 B13R1.16 CCOCSc1nccc(c1C)N 62a_100000739092_100000690622 [0,2,0,0,0,0|2,0,0]=4 26165 B13R1.16 CCOCSc1nccc(c1F)C 62a_100000739092_100009817629 [0,2,0,0,0,0|2,0,0]=4 26166 B13R1.16 CCOCSc1nccc(c1F)C 62a_100009817629_100000739092 [0,2,0,0,0,0|2,0,0]=4 26167 B13R1.16 CCOCSc1nccc(c1F)N 62a_100000739092_100015205195 [0,2,0,0,0,0|2,0,0]=4 26168 B13R1.16 CCOCSc1nccc(c1F)N 62a_100015205195_100000739092 [0,2,0,0,0,0|2,0,0]=4 26169 B13R1.16 CCOCSc1nccc(c1F)O 62a_100000739092_100009876375 [0,2,0,0,0,0|2,0,0]=4 26170 B13R1.16 CCOCSc1nccc(c1F)O 62a_100009876375_100000739092 [0,2,0,0,0,0|2,0,0]=4 26171 B13R1.16 CCOCSc1nccc(c1N)C 62a_100000739092_100000763560 [0,2,0,0,0,0|2,0,0]=4 26172 B13R1.16 CCOCSc1nccc(c1N)C 62a_100000763560_100000739092 [0,2,0,0,0,0|2,0,0]=4 26173 B13R1.16 CCOCSc1nccc(c1N)N 62a_100000085203_100000739092 [0,2,0,0,0,0|2,0,0]=4 26174 B13R1.16 CCOCSc1nccc(c1N)N 62a_100000739092_100000085203 [0,2,0,0,0,0|2,0,0]=4 26175 B13R1.16 CCOCSc1nccc(c1O)C 62a_100000739092_100000696282 [0,2,0,0,0,0|2,0,0]=4 26176 B13R1.16 CCOCSc1nccc(c1O)F 62a_100000739092_100009867227 [0,2,0,0,0,0|2,0,0]=4 26177 B13R1.16 CCOCSc1nccc(c1O)N 62a_100000739092_100009844647 [0,2,0,0,0,0|2,0,0]=4 26178 B13R1.16 CCSCCc1cccc(c1Cl)Cl 62a_100000210202_100000723033 [0,2,0,0,0,0|2,0,0]=4 26179 B13R1.16 CCSCCc1cccc(c1Cl)Cl 62a_100000723033_100000210202 [0,2,0,0,0,0|2,0,0]=4 26180 B13R1.16 COCCNc1nccc(c1C)F 27a_100000209980_100009846374 [0,2,0,0,0,0|2,0,0]=4 26181 B13R1.16 COCCOc1nccc(c1Br)C 34a_100012000493_100011201679 [0,2,0,0,0,0|2,0,0]=4 26182 B13R1.16 COCCOc1nccc(c1C)Br 34a_100009858498_100011201679 [0,2,0,0,0,0|2,0,0]=4 26183 B13R1.16 COCCOc1nccc(c1Cl)N 34a_200000093555_100011201679 [0,2,0,0,0,0|2,0,0]=4 26184 B13R1.16 COCCSc1nccc(c1C)C 62a_100000233755_100009847204 [0,2,0,0,0,0|2,0,0]=4 26185 B13R1.16 COCCSc1nccc(c1C)C 62a_100009847204_100000233755 [0,2,0,0,0,0|2,0,0]=4 26186 B13R1.16 COCCSc1nccc(c1C)F 62a_100000233755_100009846374 [0,2,0,0,0,0|2,0,0]=4 26187 B13R1.16 COCCSc1nccc(c1C)F 62a_100009846374_100000233755 [0,2,0,0,0,0|2,0,0]=4 26188 B13R1.16 COCCSc1nccc(c1C)N 62a_100000233755_100000690622 [0,2,0,0,0,0|2,0,0]=4 26189 B13R1.16 COCCSc1nccc(c1C)N 62a_100000690622_100000233755 [0,2,0,0,0,0|2,0,0]=4 26190 B13R1.16 COCCSc1nccc(c1F)C 62a_100000233755_100009817629 [0,2,0,0,0,0|2,0,0]=4 26191 B13R1.16 COCCSc1nccc(c1F)C 62a_100009817629_100000233755 [0,2,0,0,0,0|2,0,0]=4 26192 B13R1.16 COCCSc1nccc(c1F)N 62a_100000233755_100015205195 [0,2,0,0,0,0|2,0,0]=4 26193 B13R1.16 COCCSc1nccc(c1F)N 62a_100015205195_100000233755 [0,2,0,0,0,0|2,0,0]=4 26194 B13R1.16 COCCSc1nccc(c1F)O 62a_100000233755_100009876375 [0,2,0,0,0,0|2,0,0]=4 26195 B13R1.16 COCCSc1nccc(c1F)O 62a_100009876375_100000233755 [0,2,0,0,0,0|2,0,0]=4 26196 B13R1.16 COCCSc1nccc(c1N)C 62a_100000233755_100000763560 [0,2,0,0,0,0|2,0,0]=4 26197 B13R1.16 COCCSc1nccc(c1N)C 62a_100000763560_100000233755 [0,2,0,0,0,0|2,0,0]=4 26198 B13R1.16 COCCSc1nccc(c1N)N 62a_100000085203_100000233755 [0,2,0,0,0,0|2,0,0]=4 26199 B13R1.16 COCCSc1nccc(c1N)N 62a_100000233755_100000085203 [0,2,0,0,0,0|2,0,0]=4 26200 B13R1.16 COCCSc1nccc(c1O)C 62a_100000233755_100000696282 [0,2,0,0,0,0|2,0,0]=4 26201 B13R1.16 COCCSc1nccc(c1O)F 62a_100000233755_100009867227 [0,2,0,0,0,0|2,0,0]=4 26202 B13R1.16 COCCSc1nccc(c1O)N 62a_100000233755_100009844647 [0,2,0,0,0,0|2,0,0]=4 26203 B13R1.16 COCSCc1nccc(c1C)Cl 62a_100000766300_100020614443 [0,2,0,0,0,0|2,0,0]=4 26204 B13R1.16 COCSCc1nccc(c1C)Cl 62a_100020614443_100000766300 [0,2,0,0,0,0|2,0,0]=4 26205 B13R1.16 CSCCNc1nccc(c1C)F 27a_100020590264_100009846374 [0,2,0,0,0,0|2,0,0]=4 26206 B13R1.16 CSCCOc1nccc(c1Br)C 34a_100012000493_100000212216 [0,2,0,0,0,0|2,0,0]=4 26207 B13R1.16 CSCCOc1nccc(c1C)Br 34a_100009858498_100000212216 [0,2,0,0,0,0|2,0,0]=4 26208 B13R1.16 CSCCOc1nccc(c1Cl)N 34a_200000093555_100000212216 [0,2,0,0,0,0|2,0,0]=4 26209 B13R1.16 CSCCSc1nccc(c1C)C 62a_100000212216_100009847204 [0,2,0,0,0,0|2,0,0]=4 26210 B13R1.16 CSCCSc1nccc(c1C)C 62a_100009847204_100000751147 [0,2,0,0,0,0|2,0,0]=4 26211 B13R1.16 CSCCSc1nccc(c1C)F 62a_100000212216_100009846374 [0,2,0,0,0,0|2,0,0]=4 26212 B13R1.16 CSCCSc1nccc(c1C)F 62a_100009846374_100000751147 [0,2,0,0,0,0|2,0,0]=4 26213 B13R1.16 CSCCSc1nccc(c1C)N 62a_100000212216_100000690622 [0,2,0,0,0,0|2,0,0]=4 26214 B13R1.16 CSCCSc1nccc(c1C)N 62a_100000690622_100000751147 [0,2,0,0,0,0|2,0,0]=4 26215 B13R1.16 CSCCSc1nccc(c1F)C 62a_100000212216_100009817629 [0,2,0,0,0,0|2,0,0]=4 26216 B13R1.16 CSCCSc1nccc(c1F)C 62a_100009817629_100000751147 [0,2,0,0,0,0|2,0,0]=4 26217 B13R1.16 CSCCSc1nccc(c1F)N 62a_100000212216_100015205195 [0,2,0,0,0,0|2,0,0]=4 26218 B13R1.16 CSCCSc1nccc(c1F)N 62a_100015205195_100000751147 [0,2,0,0,0,0|2,0,0]=4 26219 B13R1.16 CSCCSc1nccc(c1F)O 62a_100000212216_100009876375 [0,2,0,0,0,0|2,0,0]=4 26220 B13R1.16 CSCCSc1nccc(c1F)O 62a_100009876375_100000751147 [0,2,0,0,0,0|2,0,0]=4 26221 B13R1.16 CSCCSc1nccc(c1N)C 62a_100000212216_100000763560 [0,2,0,0,0,0|2,0,0]=4 26222 B13R1.16 CSCCSc1nccc(c1N)C 62a_100000763560_100000751147 [0,2,0,0,0,0|2,0,0]=4 26223 B13R1.16 CSCCSc1nccc(c1N)N 62a_100000085203_100000751147 [0,2,0,0,0,0|2,0,0]=4 26224 B13R1.16 CSCCSc1nccc(c1N)N 62a_100000212216_100000085203 [0,2,0,0,0,0|2,0,0]=4 26225 B13R1.16 CSCCSc1nccc(c1O)C 62a_100000212216_100000696282 [0,2,0,0,0,0|2,0,0]=4 26226 B13R1.16 CSCCSc1nccc(c1O)F 62a_100000212216_100009867227 [0,2,0,0,0,0|2,0,0]=4 26227 B13R1.16 CSCCSc1nccc(c1O)N 62a_100000212216_100009844647 [0,2,0,0,0,0|2,0,0]=4 26228 B13R1.16 CSCSCc1nccc(c1C)Cl 62a_100011218213_100020614443 [0,2,0,0,0,0|2,0,0]=4 26229 B13R1.16 CSCSCc1nccc(c1C)Cl 62a_100020614443_100011218213 [0,2,0,0,0,0|2,0,0]=4 26230 B13R1.16 Cc1c(ccnc1CNCCF)Cl 34a_100000724931_100020614443 [0,2,0,0,0,0|2,0,0]=4 26231 B13R1.16 Cc1c(ccnc1CNCCO)Cl 2230a_100016997473_100020614443 [0,2,0,0,0,0|2,0,0]=4 26232 B13R1.16 Cc1c(ccnc1CNCCO)Cl 34a_100016990907_100020614443 [0,2,0,0,0,0|2,0,0]=4 26233 B13R1.16 Cc1c(ccnc1COCCBr)Cl 34a_100000211926_100020614443 [0,2,0,0,0,0|2,0,0]=4 26234 B13R1.16 Cc1c(ccnc1COCCN)Cl 34a_100000210304_100020614443 [0,2,0,0,0,0|2,0,0]=4 26235 B13R1.16 Cc1c(ccnc1CSCCF)Cl 62a_100011217306_100020614443 [0,2,0,0,0,0|2,0,0]=4 26236 B13R1.16 Cc1c(ccnc1CSCCF)Cl 62a_100020614443_100011217306 [0,2,0,0,0,0|2,0,0]=4 26237 B13R1.16 Cc1c(ccnc1CSCCO)Cl 62a_100000211926_100020614443 [0,2,0,0,0,0|2,0,0]=4 26238 B13R1.16 Cc1c(ccnc1CSCCO)Cl 62a_100020614443_100000211926 [0,2,0,0,0,0|2,0,0]=4 26239 B13R1.16 Cc1c(ccnc1NCCCF)F 27a_100015189416_100009846374 [0,2,0,0,0,0|2,0,0]=4 26240 B13R1.16 Cc1c(ccnc1NCCCO)F 27a_100000182051_100009846374 [0,2,0,0,0,0|2,0,0]=4 26241 B13R1.16 Cc1c(ccnc1OCCCF)Br 34a_100009858498_100011934791 [0,2,0,0,0,0|2,0,0]=4 26242 B13R1.16 Cc1c(ccnc1OCCCO)Br 34a_100009858498_100000230001 [0,2,0,0,0,0|2,0,0]=4 26243 B13R1.16 Cc1c(ccnc1SCCCF)F 62a_100009846374_100011934791 [0,2,0,0,0,0|2,0,0]=4 26244 B13R1.16 Cc1c(ccnc1SCCCF)F 62a_100011934791_100009846374 [0,2,0,0,0,0|2,0,0]=4 26245 B13R1.16 Cc1c(ccnc1SCCCF)N 62a_100000690622_100011934791 [0,2,0,0,0,0|2,0,0]=4 26246 B13R1.16 Cc1c(ccnc1SCCCF)N 62a_100011934791_100000690622 [0,2,0,0,0,0|2,0,0]=4 26247 B13R1.16 Cc1c(ccnc1SCCCO)F 62a_100009846374_100011215043 [0,2,0,0,0,0|2,0,0]=4 26248 B13R1.16 Cc1c(ccnc1SCCCO)F 62a_100011215043_100009846374 [0,2,0,0,0,0|2,0,0]=4 26249 B13R1.16 Cc1c(ccnc1SCCCO)N 62a_100000690622_100011215043 [0,2,0,0,0,0|2,0,0]=4 26250 B13R1.16 Cc1c(ccnc1SCCCO)N 62a_100011215043_100000690622 [0,2,0,0,0,0|2,0,0]=4 26251 B13R1.16 Cc1ccnc(c1Br)OCCCF 34a_100012000493_100011934791 [0,2,0,0,0,0|2,0,0]=4 26252 B13R1.16 Cc1ccnc(c1Br)OCCCO 34a_100012000493_100000230001 [0,2,0,0,0,0|2,0,0]=4 26253 B13R1.16 Cc1ccnc(c1C)SCCCF 62a_100009847204_100011934791 [0,2,0,0,0,0|2,0,0]=4 26254 B13R1.16 Cc1ccnc(c1C)SCCCF 62a_100011934791_100009847204 [0,2,0,0,0,0|2,0,0]=4 26255 B13R1.16 Cc1ccnc(c1C)SCCCO 62a_100009847204_100011215043 [0,2,0,0,0,0|2,0,0]=4 26256 B13R1.16 Cc1ccnc(c1C)SCCCO 62a_100011215043_100009847204 [0,2,0,0,0,0|2,0,0]=4 26257 B13R1.16 Cc1ccnc(c1F)SCCCF 62a_100009817629_100011934791 [0,2,0,0,0,0|2,0,0]=4 26258 B13R1.16 Cc1ccnc(c1F)SCCCF 62a_100011934791_100009817629 [0,2,0,0,0,0|2,0,0]=4 26259 B13R1.16 Cc1ccnc(c1F)SCCCO 62a_100009817629_100011215043 [0,2,0,0,0,0|2,0,0]=4 26260 B13R1.16 Cc1ccnc(c1F)SCCCO 62a_100011215043_100009817629 [0,2,0,0,0,0|2,0,0]=4 26261 B13R1.16 Cc1ccnc(c1N)SCCCF 62a_100000763560_100011934791 [0,2,0,0,0,0|2,0,0]=4 26262 B13R1.16 Cc1ccnc(c1N)SCCCF 62a_100011934791_100000763560 [0,2,0,0,0,0|2,0,0]=4 26263 B13R1.16 Cc1ccnc(c1N)SCCCO 62a_100000763560_100011215043 [0,2,0,0,0,0|2,0,0]=4 26264 B13R1.16 Cc1ccnc(c1N)SCCCO 62a_100011215043_100000763560 [0,2,0,0,0,0|2,0,0]=4 26265 B13R1.16 Cc1ccnc(c1O)SCCCF 62a_100011934791_100000696282 [0,2,0,0,0,0|2,0,0]=4 26266 B13R1.16 Cc1ccnc(c1O)SCCCO 62a_100011215043_100000696282 [0,2,0,0,0,0|2,0,0]=4 26267 B13R1.16 Nc1ccnc(c1Cl)OCCCF 34a_200000093555_100011934791 [0,2,0,0,0,0|2,0,0]=4 26268 B13R1.16 Nc1ccnc(c1Cl)OCCCO 34a_200000093555_100000230001 [0,2,0,0,0,0|2,0,0]=4 26269 B13R1.16 Nc1ccnc(c1F)SCCCF 62a_100011934791_100015205195 [0,2,0,0,0,0|2,0,0]=4 26270 B13R1.16 Nc1ccnc(c1F)SCCCF 62a_100015205195_100011934791 [0,2,0,0,0,0|2,0,0]=4 26271 B13R1.16 Nc1ccnc(c1F)SCCCO 62a_100011215043_100015205195 [0,2,0,0,0,0|2,0,0]=4 26272 B13R1.16 Nc1ccnc(c1F)SCCCO 62a_100015205195_100011215043 [0,2,0,0,0,0|2,0,0]=4 26273 B13R1.16 Nc1ccnc(c1N)SCCCF 62a_100000085203_100011934791 [0,2,0,0,0,0|2,0,0]=4 26274 B13R1.16 Nc1ccnc(c1N)SCCCF 62a_100011934791_100000085203 [0,2,0,0,0,0|2,0,0]=4 26275 B13R1.16 Nc1ccnc(c1N)SCCCO 62a_100000085203_100011215043 [0,2,0,0,0,0|2,0,0]=4 26276 B13R1.16 Nc1ccnc(c1N)SCCCO 62a_100011215043_100000085203 [0,2,0,0,0,0|2,0,0]=4 26277 B13R1.16 Nc1ccnc(c1O)SCCCF 62a_100011934791_100009844647 [0,2,0,0,0,0|2,0,0]=4 26278 B13R1.16 Nc1ccnc(c1O)SCCCO 62a_100011215043_100009844647 [0,2,0,0,0,0|2,0,0]=4 26279 B13R1.16 OCCCSc1nccc(c1F)O 62a_100009876375_100011215043 [0,2,0,0,0,0|2,0,0]=4 26280 B13R1.16 OCCCSc1nccc(c1F)O 62a_100011215043_100009876375 [0,2,0,0,0,0|2,0,0]=4 26281 B13R1.16 OCCCSc1nccc(c1O)F 62a_100011215043_100009867227 [0,2,0,0,0,0|2,0,0]=4 26282 B13R1.16 OCCNCc1nccc(c1F)Br 270004a_100000210304_100015713984 [0,2,0,0,0,0|2,0,0]=4 26283 B13R1.16 Oc1c(ccnc1SCCCF)F 62a_100011934791_100009867227 [0,2,0,0,0,0|2,0,0]=4 26284 B13R1.16 Oc1ccnc(c1F)SCCCF 62a_100009876375_100011934791 [0,2,0,0,0,0|2,0,0]=4 26285 B13R1.16 Oc1ccnc(c1F)SCCCF 62a_100011934791_100009876375 [0,2,0,0,0,0|2,0,0]=4 26286 B13R1.18 CC(NCCF)c1cc(ccn1)Br 269862a_100000724931_100000709912 [0,2,0,0,0,0|2,0,0]=4 26287 B13R1.18 CC(NCCF)c1cc(ccn1)Cl 269862a_100000724931_100000099826 [0,2,0,0,0,0|2,0,0]=4 26288 B13R1.18 CC(NCCF)c1cccc(n1)Br 2230a_200010173468_100011217306 [0,2,0,0,0,0|2,0,0]=4 26289 B13R1.18 CC(NCCF)c1cccc(n1)Br 269862a_100000724931_100009816502 [0,2,0,0,0,0|2,0,0]=4 26290 B13R1.18 CC(NCCF)c1cccc(n1)Cl 269862a_100000724931_100000085735 [0,2,0,0,0,0|2,0,0]=4 26291 B13R1.18 CC(NCCF)c1cccc(n1)F 269862a_100000724931_100000092306 [0,2,0,0,0,0|2,0,0]=4 26292 B13R1.18 CC(NCCO)c1cc(ccn1)Br 269862a_100000210304_100000709912 [0,2,0,0,0,0|2,0,0]=4 26293 B13R1.18 CC(NCCO)c1cc(ccn1)Br 270004a_100000210304_100000709912 [0,2,0,0,0,0|2,0,0]=4 26294 B13R1.18 CC(NCCO)c1cc(ccn1)Cl 269862a_100000210304_100000099826 [0,2,0,0,0,0|2,0,0]=4 26295 B13R1.18 CC(NCCO)c1cc(ccn1)Cl 270004a_100000210304_100000099826 [0,2,0,0,0,0|2,0,0]=4 26296 B13R1.18 CC(NCCO)c1cccc(n1)Br 2230a_200010173468_100000211926 [0,2,0,0,0,0|2,0,0]=4 26297 B13R1.18 CC(NCCO)c1cccc(n1)Br 269862a_100000210304_100009816502 [0,2,0,0,0,0|2,0,0]=4 26298 B13R1.18 CC(NCCO)c1cccc(n1)Cl 269862a_100000210304_100000085735 [0,2,0,0,0,0|2,0,0]=4 26299 B13R1.18 CC(NCCO)c1cccc(n1)F 269862a_100000210304_100000092306 [0,2,0,0,0,0|2,0,0]=4 26300 B13R1.18 CC(OCCF)c1cc(ccn1)Cl 7a_100000144657_100011217306 [0,2,0,0,0,0|2,0,0]=4 26301 B13R1.18 CC(OCCF)c1cccc(n1)Br 7a_100009820884_100011217306 [0,2,0,0,0,0|2,0,0]=4 26302 B13R1.18 CC(OCCO)c1cc(ccn1)Cl 7a_100000144657_100000211926 [0,2,0,0,0,0|2,0,0]=4 26303 B13R1.18 CC(OCCO)c1cccc(n1)Br 7a_100009820884_100000211926 [0,2,0,0,0,0|2,0,0]=4 26304 B13R1.18 CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210211 [0,2,0,0,0,0|1,0,1]=4 26305 B13R1.18 CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210211 [0,2,0,0,0,0|1,0,1]=4 26306 B13R1.18 CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210211 [0,2,0,0,0,0|1,0,1]=4 26307 B13R1.18 CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210211 [0,2,0,0,0,0|1,0,1]=4 26308 B13R1.18 CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210211 [0,2,0,0,0,0|1,0,1]=4 26309 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [0,2,0,0,0,0|1,0,1]=4 26310 B13R1.18 CCCCN(C)c1c[n+](ccn1)[O-] 27a_100000207549_100009880115 [0,2,0,0,0,0|2,0,0]=4 26311 B13R1.18 CCCCN(C)c1cc(ccn1)F 27a_100000207549_100000764206 [0,2,0,0,0,0|1,0,0]=3 26312 B13R1.18 CCCCN(C)c1cc(cnn1)C 27a_100000207549_100000070100 [0,2,0,0,0,0|2,0,0]=4 26313 B13R1.18 CCCCN(C)c1cc(ncn1)C 27a_100000207549_100000744208 [0,2,0,0,0,0|2,0,0]=4 26314 B13R1.18 CCCCN(C)c1cc(ncn1)F 27a_100000207549_200009880791 [0,2,0,0,0,0|2,0,0]=4 26315 B13R1.18 CCCCN(C)c1cc(ncn1)N 27a_100000207549_100000701291 [0,2,0,0,0,0|2,0,0]=4 26316 B13R1.18 CCCCN(C)c1cc(ncn1)O 27a_100000207549_100000765262 [0,2,0,0,0,0|2,0,0]=4 26317 B13R1.18 CCCCN(C)c1cc[nH]c(=O)n1 27a_100000207549_200000134032 [0,2,0,0,0,0|2,0,0]=4 26318 B13R1.18 CCCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210211 [0,2,0,0,0,0|2,0,0]=4 26319 B13R1.18 CCCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210211 [0,2,0,0,0,0|2,0,0]=4 26320 B13R1.18 CCCCN(C)c1cccc(c1)Br 34a_100000219648_100000210210 [0,2,0,0,0,0|2,0,0]=4 26321 B13R1.18 CCCCN(C)c1cccc(c1)C 2230a_100000219674_100000210211 [0,2,0,0,0,0|2,0,0]=4 26322 B13R1.18 CCCCN(C)c1cccc(c1)C 269982a_100000219674_100000210211 [0,2,0,0,0,0|2,0,0]=4 26323 B13R1.18 CCCCN(C)c1cccc(c1)C 34a_100000219674_100000210210 [0,2,0,0,0,0|2,0,0]=4 26324 B13R1.18 CCCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210211 [0,2,0,0,0,0|2,0,0]=4 26325 B13R1.18 CCCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210211 [0,2,0,0,0,0|2,0,0]=4 26326 B13R1.18 CCCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210210 [0,2,0,0,0,0|2,0,0]=4 26327 B13R1.18 CCCCN(C)c1cccc(c1)F 2230a_100020633736_100000210211 [0,2,0,0,0,0|2,0,0]=4 26328 B13R1.18 CCCCN(C)c1cccc(c1)F 269982a_100020633736_100000210211 [0,2,0,0,0,0|2,0,0]=4 26329 B13R1.18 CCCCN(C)c1cccc(c1)F 34a_100020633736_100000210210 [0,2,0,0,0,0|2,0,0]=4 26330 B13R1.18 CCCCN(C)c1cccc(c1)I 2230a_100000221217_100000210211 [0,2,0,0,0,0|2,0,0]=4 26331 B13R1.18 CCCCN(C)c1cccc(c1)I 269982a_100000221217_100000210211 [0,2,0,0,0,0|2,0,0]=4 26332 B13R1.18 CCCCN(C)c1cccc(c1)I 34a_100000221217_100000210210 [0,2,0,0,0,0|2,0,0]=4 26333 B13R1.18 CCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210211 [0,2,0,0,0,0|2,0,0]=4 26334 B13R1.18 CCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210211 [0,2,0,0,0,0|2,0,0]=4 26335 B13R1.18 CCCCN(C)c1cccc(c1)O 34a_100000756613_100000210210 [0,2,0,0,0,0|2,0,0]=4 26336 B13R1.18 CCCCN(C)c1cccc(n1)F 27a_100000207549_100009815982 [0,2,0,0,0,0|1,0,0]=3 26337 B13R1.18 CCCCN(C)c1ccnc(n1)C 27a_100000207549_100000749937 [0,2,0,0,0,0|2,0,0]=4 26338 B13R1.18 CCCCN(C)c1ccnc(n1)N 27a_100000207549_100000055538 [0,2,0,0,0,0|2,0,0]=4 26339 B13R1.18 CCCCN(C)c1cncc(n1)C 27a_100000207549_100000754123 [0,2,0,0,0,0|2,0,0]=4 26340 B13R1.18 CCCCN(C)c1cncc(n1)Cl 27a_100000207549_100010892449 [0,2,0,0,0,0|2,0,0]=4 26341 B13R1.18 CCCCN(C)c1cncc(n1)F 27a_100000207549_200009863489 [0,2,0,0,0,0|2,0,0]=4 26342 B13R1.18 CCCCN(C)c1nccc(n1)C 27a_100000207549_100000750684 [0,2,0,0,0,0|2,0,0]=4 26343 B13R1.18 CCCCN(C)c1nccc(n1)N 27a_100000207549_100000757536 [0,2,0,0,0,0|2,0,0]=4 26344 B13R1.18 CCCCN(C)c1nccc(n1)O 27a_100000207549_100011649813 [0,2,0,0,0,0|2,0,0]=4 26345 B13R1.18 CCCCS(=O)c1cccc(c1)O 271570a_203496583355_200010264433 [0,2,0,0,0,0|2,0,0]=4 26346 B13R1.18 CCCNC(C)c1cc(ccn1)Br 269862a_100020643023_100000709912 [0,2,0,0,0,0|1,0,0]=3 26347 B13R1.18 CCCNC(C)c1cc(ccn1)Br 270004a_100020643023_100000709912 [0,2,0,0,0,0|1,0,0]=3 26348 B13R1.18 CCCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210303 [0,2,0,0,0,0|1,0,0]=3 26349 B13R1.18 CCCNC(C)c1cc(ccn1)C 269862a_100020643023_100000728896 [0,2,0,0,0,0|1,0,0]=3 26350 B13R1.18 CCCNC(C)c1cc(ccn1)C 270004a_100020643023_100000728896 [0,2,0,0,0,0|1,0,0]=3 26351 B13R1.18 CCCNC(C)c1cc(ccn1)Cl 269862a_100020643023_100000099826 [0,2,0,0,0,0|1,0,0]=3 26352 B13R1.18 CCCNC(C)c1cc(ccn1)Cl 270004a_100020643023_100000099826 [0,2,0,0,0,0|1,0,0]=3 26353 B13R1.18 CCCNC(C)c1cc(ncn1)C 269862a_100020643023_100000092262 [0,2,0,0,0,0|2,0,0]=4 26354 B13R1.18 CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210303 [0,2,0,0,0,0|2,0,0]=4 26355 B13R1.18 CCCNC(C)c1cccc(c1)Br 269862a_100020643023_100000210093 [0,2,0,0,0,0|2,0,0]=4 26356 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,2,0,0,0,0|2,0,0]=4 26357 B13R1.18 CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210303 [0,2,0,0,0,0|2,0,0]=4 26358 B13R1.18 CCCNC(C)c1cccc(c1)Cl 269862a_100020643023_200000210964 [0,2,0,0,0,0|2,0,0]=4 26359 B13R1.18 CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210303 [0,2,0,0,0,0|2,0,0]=4 26360 B13R1.18 CCCNC(C)c1cccc(c1)F 269862a_100020643023_100000187083 [0,2,0,0,0,0|2,0,0]=4 26361 B13R1.18 CCCNC(C)c1cccc(c1)I 269862a_100020643023_100011356966 [0,2,0,0,0,0|2,0,0]=4 26362 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [0,2,0,0,0,0|2,0,0]=4 26363 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [0,2,0,0,0,0|2,0,0]=4 26364 B13R1.18 CCCNC(C)c1cccc(n1)Br 2230a_200010173468_100000210303 [0,2,0,0,0,0|1,0,0]=3 26365 B13R1.18 CCCNC(C)c1cccc(n1)Br 269862a_100020643023_100009816502 [0,2,0,0,0,0|1,0,0]=3 26366 B13R1.18 CCCNC(C)c1cccc(n1)C 2230a_100011877385_100000210303 [0,2,0,0,0,0|1,0,0]=3 26367 B13R1.18 CCCNC(C)c1cccc(n1)C 269862a_100020643023_100011877301 [0,2,0,0,0,0|1,0,0]=3 26368 B13R1.18 CCCNC(C)c1cccc(n1)Cl 269862a_100020643023_100000085735 [0,2,0,0,0,0|1,0,0]=3 26369 B13R1.18 CCCNC(C)c1cccc(n1)F 269862a_100020643023_100000092306 [0,2,0,0,0,0|1,0,0]=3 26370 B13R1.18 CCCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000210303 [0,2,0,0,0,0|1,0,0]=3 26371 B13R1.18 CCCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100000210303 [0,2,0,0,0,0|1,0,0]=3 26372 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,2,0,0,0,0|2,0,0]=4 26373 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,2,0,0,0,0|2,0,0]=4 26374 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210303 [0,2,0,0,0,0|2,0,0]=4 26375 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210303 [0,2,0,0,0,0|2,0,0]=4 26376 B13R1.18 CCCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210303 [0,2,0,0,0,0|1,0,0]=3 26377 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,2,0,0,0,0|2,0,0]=4 26378 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,2,0,0,0,0|2,0,0]=4 26379 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,2,0,0,0,0|2,0,0]=4 26380 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,2,0,0,0,0|2,0,0]=4 26381 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,2,0,0,0,0|2,0,0]=4 26382 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,2,0,0,0,0|2,0,0]=4 26383 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,2,0,0,0,0|2,0,0]=4 26384 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,2,0,0,0,0|2,0,0]=4 26385 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,2,0,0,0,0|2,0,0]=4 26386 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,2,0,0,0,0|2,0,0]=4 26387 B13R1.18 CCCOC(C)c1cccc(n1)Br 7a_100009820884_100000210303 [0,2,0,0,0,0|1,0,0]=3 26388 B13R1.18 CCCOC(C)c1cccc(n1)C 34a_200011877368_100000210303 [0,2,0,0,0,0|1,0,0]=3 26389 B13R1.18 CCCOC(C)c1cccc(n1)C 7a_200011877368_100000210303 [0,2,0,0,0,0|1,0,0]=3 26390 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,2,0,0,0,0|2,0,0]=4 26391 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,2,0,0,0,0|2,0,0]=4 26392 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [0,2,0,0,0,0|2,0,0]=4 26393 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [0,2,0,0,0,0|2,0,0]=4 26394 B13R1.18 CCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210202 [0,2,0,0,0,0|2,0,0]=4 26395 B13R1.18 CCOCC(N)c1cccc(n1)F 34a_200020642391_100000210202 [0,2,0,0,0,0|1,0,0]=3 26396 B13R1.18 CCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210202 [0,2,0,0,0,0|2,0,0]=4 26397 B13R1.18 CCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210202 [0,2,0,0,0,0|2,0,0]=4 26398 B13R1.18 CCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,2,0,0,0,0|2,0,0]=4 26399 B13R1.18 CN(CCCO)c1cc(ccn1)F 27a_100000213112_100000764206 [0,2,0,0,0,0|2,0,0]=4 26400 B13R1.18 CN(CCCO)c1cccc(n1)F 27a_100000213112_100009815982 [0,2,0,0,0,0|2,0,0]=4 26401 B13R1.18 COCCC(N)c1cccc(c1)Br 34a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 26402 B13R1.18 COCCC(N)c1cccc(c1)C 34a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 26403 B13R1.18 COCCC(N)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 26404 B13R1.18 COCCC(N)c1cccc(c1)F 34a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 26405 B13R1.18 COCCN(C)c1cc(ccn1)F 27a_100000743101_100000764206 [0,2,0,0,0,0|2,0,0]=4 26406 B13R1.18 COCCN(C)c1cccc(n1)F 27a_100000743101_100009815982 [0,2,0,0,0,0|2,0,0]=4 26407 B13R1.18 COCNC(C)c1cc(ccn1)C 2230a_100011933787_100000766300 [0,2,0,0,0,0|2,0,0]=4 26408 B13R1.18 COCNC(C)c1cccc(n1)Br 2230a_200010173468_100000766300 [0,2,0,0,0,0|2,0,0]=4 26409 B13R1.18 COCNC(C)c1cccc(n1)C 2230a_100011877385_100000766300 [0,2,0,0,0,0|2,0,0]=4 26410 B13R1.18 COCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000766300 [0,2,0,0,0,0|2,0,0]=4 26411 B13R1.18 CSCCN(C)c1cc(ccn1)F 27a_100000686725_100000764206 [0,2,0,0,0,0|2,0,0]=4 26412 B13R1.18 CSCCN(C)c1cccc(n1)F 27a_100000686725_100009815982 [0,2,0,0,0,0|2,0,0]=4 26413 B13R1.18 CSCNC(C)c1cc(ccn1)C 2230a_100011933787_100011218213 [0,2,0,0,0,0|2,0,0]=4 26414 B13R1.18 CSCNC(C)c1cccc(n1)Br 2230a_200010173468_100011218213 [0,2,0,0,0,0|2,0,0]=4 26415 B13R1.18 CSCNC(C)c1cccc(n1)C 2230a_100011877385_100011218213 [0,2,0,0,0,0|2,0,0]=4 26416 B13R1.18 CSCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100011218213 [0,2,0,0,0,0|2,0,0]=4 26417 B13R1.18 CSCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100011218213 [0,2,0,0,0,0|2,0,0]=4 26418 B13R1.18 CSCOC(C)c1cccc(n1)C 34a_200011877368_100011218213 [0,2,0,0,0,0|2,0,0]=4 26419 B13R1.18 C[C@H](NCCF)c1cccc(n1)F 2230a_100025709760_100011217306 [0,2,0,0,0,0|2,0,0]=4 26420 B13R1.18 C[C@H](NCCF)c1cccc(n1)F 34a_100025709760_100011217306 [0,2,0,0,0,0|2,0,0]=4 26421 B13R1.18 C[C@H](NCCO)c1cccc(n1)F 2230a_100025709760_100000211926 [0,2,0,0,0,0|2,0,0]=4 26422 B13R1.18 C[C@H](NCCO)c1cccc(n1)F 34a_100025709760_100000211926 [0,2,0,0,0,0|2,0,0]=4 26423 B13R1.18 Cc1cccc(c1)C(N)CCO[13CH3] 34a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 26424 B13R1.18 Cc1cccc(n1)C(C)NCCF 2230a_100011877385_100011217306 [0,2,0,0,0,0|2,0,0]=4 26425 B13R1.18 Cc1cccc(n1)C(C)NCCF 269862a_100000724931_100011877301 [0,2,0,0,0,0|2,0,0]=4 26426 B13R1.18 Cc1cccc(n1)C(C)NCCO 2230a_100011877385_100000211926 [0,2,0,0,0,0|2,0,0]=4 26427 B13R1.18 Cc1cccc(n1)C(C)NCCO 269862a_100000210304_100011877301 [0,2,0,0,0,0|2,0,0]=4 26428 B13R1.18 Cc1cccc(n1)C(C)OCCF 34a_200011877368_100011217306 [0,2,0,0,0,0|2,0,0]=4 26429 B13R1.18 Cc1cccc(n1)C(C)OCCF 7a_200011877368_100011217306 [0,2,0,0,0,0|2,0,0]=4 26430 B13R1.18 Cc1cccc(n1)C(C)OCCO 34a_200011877368_100000211926 [0,2,0,0,0,0|2,0,0]=4 26431 B13R1.18 Cc1cccc(n1)C(C)OCCO 7a_200011877368_100000211926 [0,2,0,0,0,0|2,0,0]=4 26432 B13R1.18 Cc1ccnc(c1)C(C)NCCF 2230a_100011933787_100011217306 [0,2,0,0,0,0|2,0,0]=4 26433 B13R1.18 Cc1ccnc(c1)C(C)NCCF 269862a_100000724931_100000728896 [0,2,0,0,0,0|2,0,0]=4 26434 B13R1.18 Cc1ccnc(c1)C(C)NCCO 2230a_100011933787_100000211926 [0,2,0,0,0,0|2,0,0]=4 26435 B13R1.18 Cc1ccnc(c1)C(C)NCCO 269862a_100000210304_100000728896 [0,2,0,0,0,0|2,0,0]=4 26436 B13R1.18 Cc1ccnc(c1)C(C)NCCO 270004a_100000210304_100000728896 [0,2,0,0,0,0|2,0,0]=4 26437 B13R1.18 NC(COCF)c1cccc(n1)F 34a_200020642391_100015361967 [0,2,0,0,0,0|2,0,0]=4 26438 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Br 34a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 26439 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 26440 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)F 34a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 26441 B13R1.20 CC(CCO)Oc1cccc(n1)F 34a_100011432558_100009893172 [0,2,0,0,0,0|2,0,0]=4 26442 B13R1.20 CC(CCO)Sc1cc(ccn1)Cl 62a_100009893172_100010167805 [0,2,0,0,0,0|2,0,0]=4 26443 B13R1.20 CC(CCO)Sc1cc(ccn1)Cl 62a_100010167805_100009893172 [0,2,0,0,0,0|2,0,0]=4 26444 B13R1.20 CC(CCO)Sc1cc(ccn1)F 62a_100000764206_100009893172 [0,2,0,0,0,0|2,0,0]=4 26445 B13R1.20 CC(CCO)Sc1cc(ccn1)F 62a_100009893172_100000764206 [0,2,0,0,0,0|2,0,0]=4 26446 B13R1.20 CC(CCO)Sc1cc(ccn1)N 62a_100009814236_100009893172 [0,2,0,0,0,0|2,0,0]=4 26447 B13R1.20 CC(CCO)Sc1cc(ccn1)N 62a_100009893172_100009814236 [0,2,0,0,0,0|2,0,0]=4 26448 B13R1.20 CC(CCO)Sc1cc(ccn1)O 62a_100009893172_100000762945 [0,2,0,0,0,0|2,0,0]=4 26449 B13R1.20 CC(CCO)Sc1cccc(n1)Br 62a_100000684672_100009893172 [0,2,0,0,0,0|2,0,0]=4 26450 B13R1.20 CC(CCO)Sc1cccc(n1)Br 62a_100009893172_100000684672 [0,2,0,0,0,0|2,0,0]=4 26451 B13R1.20 CC(CCO)Sc1cccc(n1)Cl 62a_100000051397_100009893172 [0,2,0,0,0,0|2,0,0]=4 26452 B13R1.20 CC(CCO)Sc1cccc(n1)Cl 62a_100009893172_100000051397 [0,2,0,0,0,0|2,0,0]=4 26453 B13R1.20 CC(CCO)Sc1cccc(n1)F 62a_100009815982_100009893172 [0,2,0,0,0,0|2,0,0]=4 26454 B13R1.20 CC(CCO)Sc1cccc(n1)F 62a_100009893172_100009815982 [0,2,0,0,0,0|2,0,0]=4 26455 B13R1.20 CC(CCO)Sc1cccc(n1)N 62a_100000740741_100009893172 [0,2,0,0,0,0|2,0,0]=4 26456 B13R1.20 CC(CCO)Sc1cccc(n1)N 62a_100009893172_100000740741 [0,2,0,0,0,0|2,0,0]=4 26457 B13R1.20 CCCC(=O)Cc1cc(ccn1)Br 1458a_100000211992_100010173614 [0,2,0,0,0,0|0,0,1]=3 26458 B13R1.20 CCCC(=O)Cc1cc(ccn1)C 1458a_100000211992_100000718516 [0,2,0,0,0,0|0,0,1]=3 26459 B13R1.20 CCCC(=O)Cc1cc(ccn1)Cl 1458a_100000211992_100016988179 [0,2,0,0,0,0|0,0,1]=3 26460 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000211992_100000211773 [0,2,0,0,0,0|1,0,1]=4 26461 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210303 [0,2,0,0,0,0|1,0,1]=4 26462 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100000211992_100000211840 [0,2,0,0,0,0|1,0,1]=4 26463 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210303 [0,2,0,0,0,0|1,0,1]=4 26464 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000211992_100000181238 [0,2,0,0,0,0|1,0,1]=4 26465 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210303 [0,2,0,0,0,0|1,0,1]=4 26466 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210303 [0,2,0,0,0,0|1,0,1]=4 26467 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211992_100000230114 [0,2,0,0,0,0|1,0,1]=4 26468 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000211992_100011218688 [0,2,0,0,0,0|1,0,1]=4 26469 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210303 [0,2,0,0,0,0|1,0,1]=4 26470 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [0,2,0,0,0,0|1,0,1]=4 26471 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [0,2,0,0,0,0|1,0,1]=4 26472 B13R1.20 CCCC(=O)Cc1cccc(n1)Br 1458a_100000211992_100009889011 [0,2,0,0,0,0|0,0,1]=3 26473 B13R1.20 CCCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210303 [0,2,0,0,0,0|0,0,1]=3 26474 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100000211992_100000757606 [0,2,0,0,0,0|0,0,1]=3 26475 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210303 [0,2,0,0,0,0|0,0,1]=3 26476 B13R1.20 CCCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210303 [0,2,0,0,0,0|0,0,1]=3 26477 B13R1.20 CCCC(=O)Cc1cccc(n1)Cl 1458a_100000211992_100000086093 [0,2,0,0,0,0|0,0,1]=3 26478 B13R1.20 CCCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210303 [0,2,0,0,0,0|0,0,1]=3 26479 B13R1.20 CCCC(=O)Cc1cccc(n1)F 1458a_100000211992_100009819644 [0,2,0,0,0,0|0,0,1]=3 26480 B13R1.20 CCCC(=O)Cc1ccnc(n1)Cl 1458a_100000211992_100000099655 [0,2,0,0,0,0|1,0,1]=4 26481 B13R1.20 CCCC(C)Nc1c[n+](ccn1)[O-] 27a_100000741246_100009880115 [0,2,0,0,0,0|2,0,0]=4 26482 B13R1.20 CCCC(C)Nc1cc(ccn1)F 27a_100000741246_100000764206 [0,2,0,0,0,0|1,0,0]=3 26483 B13R1.20 CCCC(C)Nc1cc(cnn1)C 27a_100000741246_100000070100 [0,2,0,0,0,0|2,0,0]=4 26484 B13R1.20 CCCC(C)Nc1cc(ncn1)C 27a_100000741246_100000744208 [0,2,0,0,0,0|2,0,0]=4 26485 B13R1.20 CCCC(C)Nc1cc(ncn1)F 27a_100000741246_200009880791 [0,2,0,0,0,0|2,0,0]=4 26486 B13R1.20 CCCC(C)Nc1cc(ncn1)N 27a_100000741246_100000701291 [0,2,0,0,0,0|2,0,0]=4 26487 B13R1.20 CCCC(C)Nc1cc(ncn1)O 27a_100000741246_100000765262 [0,2,0,0,0,0|2,0,0]=4 26488 B13R1.20 CCCC(C)Nc1cc[nH]c(=O)n1 27a_100000741246_200000134032 [0,2,0,0,0,0|2,0,0]=4 26489 B13R1.20 CCCC(C)Nc1cccc(c1)Br 34a_100000210019_100000766640 [0,2,0,0,0,0|2,0,0]=4 26490 B13R1.20 CCCC(C)Nc1cccc(c1)C 2230a_100000188690_100000766640 [0,2,0,0,0,0|2,0,0]=4 26491 B13R1.20 CCCC(C)Nc1cccc(c1)C 34a_100000188690_100000766640 [0,2,0,0,0,0|2,0,0]=4 26492 B13R1.20 CCCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000766640 [0,2,0,0,0,0|2,0,0]=4 26493 B13R1.20 CCCC(C)Nc1cccc(c1)F 34a_100000210047_100000766640 [0,2,0,0,0,0|2,0,0]=4 26494 B13R1.20 CCCC(C)Nc1cccc(c1)I 34a_100000211102_100000766640 [0,2,0,0,0,0|2,0,0]=4 26495 B13R1.20 CCCC(C)Nc1cccc(c1)O 34a_100000210217_100000766640 [0,2,0,0,0,0|2,0,0]=4 26496 B13R1.20 CCCC(C)Nc1cccc(n1)F 27a_100000741246_100009815982 [0,2,0,0,0,0|1,0,0]=3 26497 B13R1.20 CCCC(C)Nc1ccnc(n1)C 27a_100000741246_100000749937 [0,2,0,0,0,0|2,0,0]=4 26498 B13R1.20 CCCC(C)Nc1ccnc(n1)N 27a_100000741246_100000055538 [0,2,0,0,0,0|2,0,0]=4 26499 B13R1.20 CCCC(C)Nc1cncc(n1)C 27a_100000741246_100000754123 [0,2,0,0,0,0|2,0,0]=4 26500 B13R1.20 CCCC(C)Nc1cncc(n1)Cl 27a_100000741246_100010892449 [0,2,0,0,0,0|2,0,0]=4 26501 B13R1.20 CCCC(C)Nc1cncc(n1)F 27a_100000741246_200009863489 [0,2,0,0,0,0|2,0,0]=4 26502 B13R1.20 CCCC(C)Nc1nccc(n1)C 27a_100000741246_100000750684 [0,2,0,0,0,0|2,0,0]=4 26503 B13R1.20 CCCC(C)Nc1nccc(n1)N 27a_100000741246_100000757536 [0,2,0,0,0,0|2,0,0]=4 26504 B13R1.20 CCCC(C)Nc1nccc(n1)O 27a_100000741246_100011649813 [0,2,0,0,0,0|2,0,0]=4 26505 B13R1.20 CCCC(C)Oc1cc(cnn1)C 34a_100000766097_100000766640 [0,2,0,0,0,0|2,0,0]=4 26506 B13R1.20 CCCC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100000766640 [0,2,0,0,0,0|1,0,1]=4 26507 B13R1.20 CCCC(C)Oc1cccc(c1)Br 34a_100000210342_100000766640 [0,2,0,0,0,0|2,0,0]=4 26508 B13R1.20 CCCC(C)Oc1cccc(c1)Br 7a_100000210342_100000766640 [0,2,0,0,0,0|2,0,0]=4 26509 B13R1.20 CCCC(C)Oc1cccc(c1)C 34a_100000210337_100000766640 [0,2,0,0,0,0|2,0,0]=4 26510 B13R1.20 CCCC(C)Oc1cccc(c1)C 7a_100000210337_100000766640 [0,2,0,0,0,0|2,0,0]=4 26511 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000766640 [0,2,0,0,0,0|2,0,0]=4 26512 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000766640 [0,2,0,0,0,0|2,0,0]=4 26513 B13R1.20 CCCC(C)Oc1cccc(c1)F 34a_100000210426_100000766640 [0,2,0,0,0,0|2,0,0]=4 26514 B13R1.20 CCCC(C)Oc1cccc(c1)F 7a_100000210426_100000766640 [0,2,0,0,0,0|2,0,0]=4 26515 B13R1.20 CCCC(C)Oc1cccc(c1)I 34a_100000211634_100000766640 [0,2,0,0,0,0|2,0,0]=4 26516 B13R1.20 CCCC(C)Oc1cccc(c1)I 7a_100000211634_100000766640 [0,2,0,0,0,0|2,0,0]=4 26517 B13R1.20 CCCC(C)Oc1cccc(c1)N 34a_100000210217_100000766640 [0,2,0,0,0,0|2,0,0]=4 26518 B13R1.20 CCCC(C)Oc1cccc(n1)F 34a_100011432558_100000766640 [0,2,0,0,0,0|1,0,0]=3 26519 B13R1.20 CCCC(C)Sc1c[n+](ccn1)[O-] 62a_100000766640_100009880115 [0,2,0,0,0,0|2,0,0]=4 26520 B13R1.20 CCCC(C)Sc1cc(=O)[nH]cn1 62a_100012002517_100000766640 [0,2,0,0,0,0|2,0,0]=4 26521 B13R1.20 CCCC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000766640 [0,2,0,0,0,0|1,0,1]=4 26522 B13R1.20 CCCC(C)Sc1cc(ccn1)C 62a_100000750283_100000766640 [0,2,0,0,0,0|1,0,0]=3 26523 B13R1.20 CCCC(C)Sc1cc(ccn1)C 62a_100000766640_100000750283 [0,2,0,0,0,0|1,0,0]=3 26524 B13R1.20 CCCC(C)Sc1cc(ccn1)Cl 62a_100000766640_100010167805 [0,2,0,0,0,0|1,0,0]=3 26525 B13R1.20 CCCC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000766640 [0,2,0,0,0,0|1,0,0]=3 26526 B13R1.20 CCCC(C)Sc1cc(ccn1)F 62a_100000764206_100000766640 [0,2,0,0,0,0|1,0,0]=3 26527 B13R1.20 CCCC(C)Sc1cc(ccn1)F 62a_100000766640_100000764206 [0,2,0,0,0,0|1,0,0]=3 26528 B13R1.20 CCCC(C)Sc1cc(ccn1)N 62a_100000766640_100009814236 [0,2,0,0,0,0|1,0,0]=3 26529 B13R1.20 CCCC(C)Sc1cc(ccn1)N 62a_100009814236_100000766640 [0,2,0,0,0,0|1,0,0]=3 26530 B13R1.20 CCCC(C)Sc1cc(ccn1)O 62a_100000766640_100000762945 [0,2,0,0,0,0|1,0,0]=3 26531 B13R1.20 CCCC(C)Sc1cc(cnn1)C 62a_100000070100_100000766640 [0,2,0,0,0,0|2,0,0]=4 26532 B13R1.20 CCCC(C)Sc1cc(cnn1)C 62a_100000766640_100000070100 [0,2,0,0,0,0|2,0,0]=4 26533 B13R1.20 CCCC(C)Sc1cc(cnn1)N 62a_100000766640_100011996757 [0,2,0,0,0,0|2,0,0]=4 26534 B13R1.20 CCCC(C)Sc1cc(cnn1)N 62a_100011996757_100000766640 [0,2,0,0,0,0|2,0,0]=4 26535 B13R1.20 CCCC(C)Sc1cc(cnn1)O 62a_100000766640_200010734679 [0,2,0,0,0,0|2,0,0]=4 26536 B13R1.20 CCCC(C)Sc1cc(ncn1)C 62a_100000744208_100000766640 [0,2,0,0,0,0|2,0,0]=4 26537 B13R1.20 CCCC(C)Sc1cc(ncn1)C 62a_100000766640_100000744208 [0,2,0,0,0,0|2,0,0]=4 26538 B13R1.20 CCCC(C)Sc1cc(ncn1)Cl 62a_100000766640_100010161198 [0,2,0,0,0,0|2,0,0]=4 26539 B13R1.20 CCCC(C)Sc1cc(ncn1)Cl 62a_100010161198_100000766640 [0,2,0,0,0,0|2,0,0]=4 26540 B13R1.20 CCCC(C)Sc1cc(ncn1)F 62a_100000766640_200009880791 [0,2,0,0,0,0|2,0,0]=4 26541 B13R1.20 CCCC(C)Sc1cc(ncn1)F 62a_200009880791_100000766640 [0,2,0,0,0,0|2,0,0]=4 26542 B13R1.20 CCCC(C)Sc1cc(ncn1)N 62a_100000701291_100000766640 [0,2,0,0,0,0|2,0,0]=4 26543 B13R1.20 CCCC(C)Sc1cc(ncn1)N 62a_100000766640_100000701291 [0,2,0,0,0,0|2,0,0]=4 26544 B13R1.20 CCCC(C)Sc1cc(ncn1)O 62a_100000766640_100000765262 [0,2,0,0,0,0|2,0,0]=4 26545 B13R1.20 CCCC(C)Sc1cc[nH]c(=O)n1 62a_100000766640_200000134032 [0,2,0,0,0,0|2,0,0]=4 26546 B13R1.20 CCCC(C)Sc1cccc(=O)[nH]1 62a_100000766640_100000752884 [0,2,0,0,0,0|1,0,1]=4 26547 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000691529_100000766640 [0,2,0,0,0,0|2,0,0]=4 26548 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000766640_100000691529 [0,2,0,0,0,0|2,0,0]=4 26549 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100000766640_100011215228 [0,2,0,0,0,0|2,0,0]=4 26550 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100011215228_100000766640 [0,2,0,0,0,0|2,0,0]=4 26551 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000766640 [0,2,0,0,0,0|2,0,0]=4 26552 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000766640_100000699651 [0,2,0,0,0,0|2,0,0]=4 26553 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000685547_100000766640 [0,2,0,0,0,0|2,0,0]=4 26554 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000766640_100000685547 [0,2,0,0,0,0|2,0,0]=4 26555 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000210019_100000766640 [0,2,0,0,0,0|2,0,0]=4 26556 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000766640_100000210019 [0,2,0,0,0,0|2,0,0]=4 26557 B13R1.20 CCCC(C)Sc1cccc(c1)O 62a_100000766640_100000211634 [0,2,0,0,0,0|2,0,0]=4 26558 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_100000766640_114929384022 [0,2,0,0,0,0|2,0,0]=4 26559 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000766640 [0,2,0,0,0,0|2,0,0]=4 26560 B13R1.20 CCCC(C)Sc1cccc(n1)Br 62a_100000684672_100000766640 [0,2,0,0,0,0|1,0,0]=3 26561 B13R1.20 CCCC(C)Sc1cccc(n1)Br 62a_100000766640_100000684672 [0,2,0,0,0,0|1,0,0]=3 26562 B13R1.20 CCCC(C)Sc1cccc(n1)C 62a_100000742759_100000766640 [0,2,0,0,0,0|1,0,0]=3 26563 B13R1.20 CCCC(C)Sc1cccc(n1)C 62a_100000766640_100000742759 [0,2,0,0,0,0|1,0,0]=3 26564 B13R1.20 CCCC(C)Sc1cccc(n1)Cl 62a_100000051397_100000766640 [0,2,0,0,0,0|1,0,0]=3 26565 B13R1.20 CCCC(C)Sc1cccc(n1)Cl 62a_100000766640_100000051397 [0,2,0,0,0,0|1,0,0]=3 26566 B13R1.20 CCCC(C)Sc1cccc(n1)F 62a_100000766640_100009815982 [0,2,0,0,0,0|1,0,0]=3 26567 B13R1.20 CCCC(C)Sc1cccc(n1)F 62a_100009815982_100000766640 [0,2,0,0,0,0|1,0,0]=3 26568 B13R1.20 CCCC(C)Sc1cccc(n1)N 62a_100000740741_100000766640 [0,2,0,0,0,0|1,0,0]=3 26569 B13R1.20 CCCC(C)Sc1cccc(n1)N 62a_100000766640_100000740741 [0,2,0,0,0,0|1,0,0]=3 26570 B13R1.20 CCCC(C)Sc1ccnc(n1)C 62a_100000749937_100000766640 [0,2,0,0,0,0|2,0,0]=4 26571 B13R1.20 CCCC(C)Sc1ccnc(n1)C 62a_100000766640_100000749937 [0,2,0,0,0,0|2,0,0]=4 26572 B13R1.20 CCCC(C)Sc1ccnc(n1)Cl 62a_100000766640_100010154678 [0,2,0,0,0,0|2,0,0]=4 26573 B13R1.20 CCCC(C)Sc1ccnc(n1)Cl 62a_100010154678_100000766640 [0,2,0,0,0,0|2,0,0]=4 26574 B13R1.20 CCCC(C)Sc1ccnc(n1)N 62a_100000055538_100000766640 [0,2,0,0,0,0|2,0,0]=4 26575 B13R1.20 CCCC(C)Sc1ccnc(n1)N 62a_100000766640_100000055538 [0,2,0,0,0,0|2,0,0]=4 26576 B13R1.20 CCCC(C)Sc1cncc(n1)C 62a_100000754123_100000766640 [0,2,0,0,0,0|2,0,0]=4 26577 B13R1.20 CCCC(C)Sc1cncc(n1)C 62a_100000766640_100000754123 [0,2,0,0,0,0|2,0,0]=4 26578 B13R1.20 CCCC(C)Sc1cncc(n1)Cl 62a_100000766640_100010892449 [0,2,0,0,0,0|2,0,0]=4 26579 B13R1.20 CCCC(C)Sc1cncc(n1)Cl 62a_100010892449_100000766640 [0,2,0,0,0,0|2,0,0]=4 26580 B13R1.20 CCCC(C)Sc1cncc(n1)F 62a_100000766640_200009863489 [0,2,0,0,0,0|2,0,0]=4 26581 B13R1.20 CCCC(C)Sc1cncc(n1)F 62a_200009863489_100000766640 [0,2,0,0,0,0|2,0,0]=4 26582 B13R1.20 CCCC(C)Sc1cncc(n1)N 62a_100000747728_100000766640 [0,2,0,0,0,0|2,0,0]=4 26583 B13R1.20 CCCC(C)Sc1cncc(n1)N 62a_100000766640_100000747728 [0,2,0,0,0,0|2,0,0]=4 26584 B13R1.20 CCCC(C)Sc1cncc(n1)O 62a_100000766640_100011269956 [0,2,0,0,0,0|2,0,0]=4 26585 B13R1.20 CCCC(C)Sc1nccc(n1)C 62a_100000766640_100011243806 [0,2,0,0,0,0|2,0,0]=4 26586 B13R1.20 CCCC(C)Sc1nccc(n1)C 62a_100011243806_100000766640 [0,2,0,0,0,0|2,0,0]=4 26587 B13R1.20 CCCC(C)Sc1nccc(n1)N 62a_100000757536_100000766640 [0,2,0,0,0,0|2,0,0]=4 26588 B13R1.20 CCCC(C)Sc1nccc(n1)N 62a_100000766640_100000757536 [0,2,0,0,0,0|2,0,0]=4 26589 B13R1.20 CCCC(C)Sc1nccc(n1)O 62a_100000766640_100011649813 [0,2,0,0,0,0|2,0,0]=4 26590 B13R1.20 CCCN(C)Cc1cc(ccn1)Br 2230a_100000747261_100010173614 [0,2,0,0,0,0|1,0,0]=3 26591 B13R1.20 CCCN(C)Cc1cc(ccn1)Br 269982a_100000747261_100010173614 [0,2,0,0,0,0|1,0,0]=3 26592 B13R1.20 CCCN(C)Cc1cc(ccn1)Br 270004a_100000747261_100009818557 [0,2,0,0,0,0|1,0,0]=3 26593 B13R1.20 CCCN(C)Cc1cc(ccn1)C 2230a_100000747261_100000718516 [0,2,0,0,0,0|1,0,0]=3 26594 B13R1.20 CCCN(C)Cc1cc(ccn1)C 2230a_106354213154_100000210303 [0,2,0,0,0,0|1,0,0]=3 26595 B13R1.20 CCCN(C)Cc1cc(ccn1)C 269982a_100000747261_100000718516 [0,2,0,0,0,0|1,0,0]=3 26596 B13R1.20 CCCN(C)Cc1cc(ccn1)C 269982a_106354213154_100000210303 [0,2,0,0,0,0|1,0,0]=3 26597 B13R1.20 CCCN(C)Cc1cc(ccn1)C 270004a_100000747261_100011361488 [0,2,0,0,0,0|1,0,0]=3 26598 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 2230a_100000747261_100016988179 [0,2,0,0,0,0|1,0,0]=3 26599 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 2230a_100102954512_100000210303 [0,2,0,0,0,0|1,0,0]=3 26600 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 269982a_100000747261_100016988179 [0,2,0,0,0,0|1,0,0]=3 26601 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 269982a_100102954512_100000210303 [0,2,0,0,0,0|1,0,0]=3 26602 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 270004a_100000747261_100011998288 [0,2,0,0,0,0|1,0,0]=3 26603 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210303 [0,2,0,0,0,0|2,0,0]=4 26604 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000747261_100000698116 [0,2,0,0,0,0|2,0,0]=4 26605 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100015184641_200000210301 [0,2,0,0,0,0|2,0,0]=4 26606 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210303 [0,2,0,0,0,0|2,0,0]=4 26607 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000747261_100000211773 [0,2,0,0,0,0|2,0,0]=4 26608 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100015184641_200000210301 [0,2,0,0,0,0|2,0,0]=4 26609 B13R1.20 CCCN(C)Cc1cccc(c1)Br 26a_100000747261_100000210342 [0,2,0,0,0,0|2,0,0]=4 26610 B13R1.20 CCCN(C)Cc1cccc(c1)Br 270004a_100000747261_100000210085 [0,2,0,0,0,0|2,0,0]=4 26611 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_100000747261_100000211840 [0,2,0,0,0,0|2,0,0]=4 26612 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 26613 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_100000747261_100000211840 [0,2,0,0,0,0|2,0,0]=4 26614 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 26615 B13R1.20 CCCN(C)Cc1cccc(c1)C 270004a_100000747261_100000211157 [0,2,0,0,0,0|2,0,0]=4 26616 B13R1.20 CCCN(C)Cc1cccc(c1)C 34a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 26617 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100000747261_100000181238 [0,2,0,0,0,0|2,0,0]=4 26618 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 26619 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210303 [0,2,0,0,0,0|2,0,0]=4 26620 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100000747261_100000181238 [0,2,0,0,0,0|2,0,0]=4 26621 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 26622 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210303 [0,2,0,0,0,0|2,0,0]=4 26623 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 270004a_100000747261_100000210801 [0,2,0,0,0,0|2,0,0]=4 26624 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 34a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 26625 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 26626 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000747261_100000230114 [0,2,0,0,0,0|2,0,0]=4 26627 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 26628 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000747261_100000230114 [0,2,0,0,0,0|2,0,0]=4 26629 B13R1.20 CCCN(C)Cc1cccc(c1)F 270004a_100000747261_100000210812 [0,2,0,0,0,0|2,0,0]=4 26630 B13R1.20 CCCN(C)Cc1cccc(c1)F 34a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 26631 B13R1.20 CCCN(C)Cc1cccc(c1)I 2230a_100000747261_100011218688 [0,2,0,0,0,0|2,0,0]=4 26632 B13R1.20 CCCN(C)Cc1cccc(c1)I 269982a_100000747261_100011218688 [0,2,0,0,0,0|2,0,0]=4 26633 B13R1.20 CCCN(C)Cc1cccc(c1)I 270004a_100000747261_100000014684 [0,2,0,0,0,0|2,0,0]=4 26634 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210303 [0,2,0,0,0,0|2,0,0]=4 26635 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000747261_100011660834 [0,2,0,0,0,0|2,0,0]=4 26636 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210303 [0,2,0,0,0,0|2,0,0]=4 26637 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000747261_100000084143 [0,2,0,0,0,0|2,0,0]=4 26638 B13R1.20 CCCN(C)Cc1cccc(c1)O 270004a_100000747261_100000188321 [0,2,0,0,0,0|2,0,0]=4 26639 B13R1.20 CCCN(C)Cc1cccc(n1)Br 2230a_100000747261_100009889011 [0,2,0,0,0,0|1,0,0]=3 26640 B13R1.20 CCCN(C)Cc1cccc(n1)Br 2230a_106354212997_100000210303 [0,2,0,0,0,0|1,0,0]=3 26641 B13R1.20 CCCN(C)Cc1cccc(n1)Br 269982a_100000747261_100009889011 [0,2,0,0,0,0|1,0,0]=3 26642 B13R1.20 CCCN(C)Cc1cccc(n1)Br 269982a_106354212997_100000210303 [0,2,0,0,0,0|1,0,0]=3 26643 B13R1.20 CCCN(C)Cc1cccc(n1)Br 270004a_100000747261_100000688028 [0,2,0,0,0,0|1,0,0]=3 26644 B13R1.20 CCCN(C)Cc1cccc(n1)C 2230a_100000687132_100000210303 [0,2,0,0,0,0|1,0,0]=3 26645 B13R1.20 CCCN(C)Cc1cccc(n1)C 2230a_100000747261_100000757606 [0,2,0,0,0,0|1,0,0]=3 26646 B13R1.20 CCCN(C)Cc1cccc(n1)C 269982a_100000687132_100000210303 [0,2,0,0,0,0|1,0,0]=3 26647 B13R1.20 CCCN(C)Cc1cccc(n1)C 269982a_100000747261_100000757606 [0,2,0,0,0,0|1,0,0]=3 26648 B13R1.20 CCCN(C)Cc1cccc(n1)C 270004a_100000747261_100011215050 [0,2,0,0,0,0|1,0,0]=3 26649 B13R1.20 CCCN(C)Cc1cccc(n1)Cl 2230a_100000747261_100000086093 [0,2,0,0,0,0|1,0,0]=3 26650 B13R1.20 CCCN(C)Cc1cccc(n1)Cl 269982a_100000747261_100000086093 [0,2,0,0,0,0|1,0,0]=3 26651 B13R1.20 CCCN(C)Cc1cccc(n1)Cl 270004a_100000747261_100011361687 [0,2,0,0,0,0|1,0,0]=3 26652 B13R1.20 CCCN(C)Cc1cccc(n1)F 2230a_100000747261_100009819644 [0,2,0,0,0,0|1,0,0]=3 26653 B13R1.20 CCCN(C)Cc1cccc(n1)F 269982a_100000747261_100009819644 [0,2,0,0,0,0|1,0,0]=3 26654 B13R1.20 CCCN(C)Cc1cccc(n1)F 270004a_100000747261_100000050434 [0,2,0,0,0,0|1,0,0]=3 26655 B13R1.20 CCCN(C)Cc1ccnc(n1)C 270004a_100000747261_100011361539 [0,2,0,0,0,0|2,0,0]=4 26656 B13R1.20 CCCN(C)Cc1ccnc(n1)Cl 2230a_100000747261_100000099655 [0,2,0,0,0,0|2,0,0]=4 26657 B13R1.20 CCCN(C)Cc1ccnc(n1)Cl 269982a_100000747261_100000099655 [0,2,0,0,0,0|2,0,0]=4 26658 B13R1.20 CCCN(C)Cc1cncc(n1)C 270004a_100000747261_100000100294 [0,2,0,0,0,0|2,0,0]=4 26659 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 2230a_100015184641_200025704644 [0,2,0,0,0,0|2,0,0]=4 26660 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 269982a_100015184641_200025704644 [0,2,0,0,0,0|2,0,0]=4 26661 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 2230a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 26662 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 269982a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 26663 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 34a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 26664 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 11a_100015525214_100010201708 [0,2,0,0,0,0|1,0,1]=4 26665 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 240690a_100015525214_100010201708 [0,2,0,0,0,0|1,0,1]=4 26666 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 527a_100015525214_100010201708 [0,2,0,0,0,0|1,0,1]=4 26667 B13R1.20 CCNC(=O)Cc1cccc(n1)C 11a_100015525214_100012001110 [0,2,0,0,0,0|1,0,1]=4 26668 B13R1.20 CCNC(=O)Cc1cccc(n1)C 240690a_100015525214_100012001110 [0,2,0,0,0,0|1,0,1]=4 26669 B13R1.20 CCNC(=O)Cc1cccc(n1)C 527a_100015525214_100012001110 [0,2,0,0,0,0|1,0,1]=4 26670 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl 11a_100015525214_100000090259 [0,2,0,0,0,0|1,0,1]=4 26671 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl 240690a_100015525214_100000090259 [0,2,0,0,0,0|1,0,1]=4 26672 B13R1.20 CCNC(=O)Cc1cccc(n1)F 11a_100015525214_100000096803 [0,2,0,0,0,0|1,0,1]=4 26673 B13R1.20 CCNC(=O)Cc1cccc(n1)F 240690a_100015525214_100000096803 [0,2,0,0,0,0|1,0,1]=4 26674 B13R1.20 CCNC(C)Cc1cc(ccn1)C 270004a_100015525214_200015184229 [0,2,0,0,0,0|1,0,0]=3 26675 B13R1.20 CCNC(C)Cc1cccc(c1)Br 270004a_100015525214_100000689217 [0,2,0,0,0,0|2,0,0]=4 26676 B13R1.20 CCNC(C)Cc1cccc(c1)Cl 270004a_100015525214_100000727212 [0,2,0,0,0,0|2,0,0]=4 26677 B13R1.20 CCNC(C)Cc1cccc(c1)F 270004a_100015525214_100000687711 [0,2,0,0,0,0|2,0,0]=4 26678 B13R1.20 CCOC(=O)Cc1cc(ccn1)O 271570a_203496583355_100000716784 [0,2,0,0,0,0|1,0,1]=4 26679 B13R1.20 CCOC(=O)Cc1cccc(n1)O 271570a_203496583355_100010230180 [0,2,0,0,0,0|1,0,1]=4 26680 B13R1.20 CCOC(C)Cc1cccc(n1)C 34a_200015421231_100000210202 [0,2,0,0,0,0|1,0,0]=3 26681 B13R1.20 CN(CCF)Cc1cc(ccn1)Cl 2230a_100102954512_100011217306 [0,2,0,0,0,0|2,0,0]=4 26682 B13R1.20 CN(CCF)Cc1cc(ccn1)Cl 269982a_100102954512_100011217306 [0,2,0,0,0,0|2,0,0]=4 26683 B13R1.20 CN(CCF)Cc1cccc(n1)Br 2230a_106354212997_100011217306 [0,2,0,0,0,0|2,0,0]=4 26684 B13R1.20 CN(CCF)Cc1cccc(n1)Br 269982a_106354212997_100011217306 [0,2,0,0,0,0|2,0,0]=4 26685 B13R1.20 CN(CCO)Cc1cc(ccn1)Br 2230a_100000210263_100010173614 [0,2,0,0,0,0|2,0,0]=4 26686 B13R1.20 CN(CCO)Cc1cc(ccn1)Br 269982a_100000210263_100010173614 [0,2,0,0,0,0|2,0,0]=4 26687 B13R1.20 CN(CCO)Cc1cc(ccn1)Br 270004a_100000210263_100009818557 [0,2,0,0,0,0|2,0,0]=4 26688 B13R1.20 CN(CCO)Cc1cc(ccn1)Cl 2230a_100000210263_100016988179 [0,2,0,0,0,0|2,0,0]=4 26689 B13R1.20 CN(CCO)Cc1cc(ccn1)Cl 2230a_100102954512_100000211926 [0,2,0,0,0,0|2,0,0]=4 26690 B13R1.20 CN(CCO)Cc1cc(ccn1)Cl 269982a_100000210263_100016988179 [0,2,0,0,0,0|2,0,0]=4 26691 B13R1.20 CN(CCO)Cc1cc(ccn1)Cl 269982a_100102954512_100000211926 [0,2,0,0,0,0|2,0,0]=4 26692 B13R1.20 CN(CCO)Cc1cc(ccn1)Cl 270004a_100000210263_100011998288 [0,2,0,0,0,0|2,0,0]=4 26693 B13R1.20 CN(CCO)Cc1cccc(n1)Br 2230a_100000210263_100009889011 [0,2,0,0,0,0|2,0,0]=4 26694 B13R1.20 CN(CCO)Cc1cccc(n1)Br 2230a_106354212997_100000211926 [0,2,0,0,0,0|2,0,0]=4 26695 B13R1.20 CN(CCO)Cc1cccc(n1)Br 269982a_100000210263_100009889011 [0,2,0,0,0,0|2,0,0]=4 26696 B13R1.20 CN(CCO)Cc1cccc(n1)Br 269982a_106354212997_100000211926 [0,2,0,0,0,0|2,0,0]=4 26697 B13R1.20 CN(CCO)Cc1cccc(n1)Br 270004a_100000210263_100000688028 [0,2,0,0,0,0|2,0,0]=4 26698 B13R1.20 CN(CCO)Cc1cccc(n1)Cl 2230a_100000210263_100000086093 [0,2,0,0,0,0|2,0,0]=4 26699 B13R1.20 CN(CCO)Cc1cccc(n1)Cl 269982a_100000210263_100000086093 [0,2,0,0,0,0|2,0,0]=4 26700 B13R1.20 CN(CCO)Cc1cccc(n1)Cl 270004a_100000210263_100011361687 [0,2,0,0,0,0|2,0,0]=4 26701 B13R1.20 CN(CCO)Cc1cccc(n1)F 2230a_100000210263_100009819644 [0,2,0,0,0,0|2,0,0]=4 26702 B13R1.20 CN(CCO)Cc1cccc(n1)F 269982a_100000210263_100009819644 [0,2,0,0,0,0|2,0,0]=4 26703 B13R1.20 CN(CCO)Cc1cccc(n1)F 270004a_100000210263_100000050434 [0,2,0,0,0,0|2,0,0]=4 26704 B13R1.20 COCC(=O)Cc1cc(ccn1)Br 1458a_100000210968_100010173614 [0,2,0,0,0,0|1,0,1]=4 26705 B13R1.20 COCC(=O)Cc1cc(ccn1)C 1458a_100000210968_100000718516 [0,2,0,0,0,0|1,0,1]=4 26706 B13R1.20 COCC(=O)Cc1cc(ccn1)Cl 1458a_100000210968_100016988179 [0,2,0,0,0,0|1,0,1]=4 26707 B13R1.20 COCC(=O)Cc1cccc(n1)Br 1458a_100000210968_100009889011 [0,2,0,0,0,0|1,0,1]=4 26708 B13R1.20 COCC(=O)Cc1cccc(n1)C 1458a_100000210968_100000757606 [0,2,0,0,0,0|1,0,1]=4 26709 B13R1.20 COCC(=O)Cc1cccc(n1)Cl 1458a_100000210968_100000086093 [0,2,0,0,0,0|1,0,1]=4 26710 B13R1.20 COCC(=O)Cc1cccc(n1)F 1458a_100000210968_100009819644 [0,2,0,0,0,0|1,0,1]=4 26711 B13R1.20 COCC(C)Oc1cccc(n1)F 34a_100011432558_100000765312 [0,2,0,0,0,0|2,0,0]=4 26712 B13R1.20 COCC(C)Sc1cc(ccn1)C 62a_100000750283_100000765312 [0,2,0,0,0,0|2,0,0]=4 26713 B13R1.20 COCC(C)Sc1cc(ccn1)C 62a_100000765312_100000750283 [0,2,0,0,0,0|2,0,0]=4 26714 B13R1.20 COCC(C)Sc1cc(ccn1)Cl 62a_100000765312_100010167805 [0,2,0,0,0,0|2,0,0]=4 26715 B13R1.20 COCC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000765312 [0,2,0,0,0,0|2,0,0]=4 26716 B13R1.20 COCC(C)Sc1cc(ccn1)F 62a_100000764206_100000765312 [0,2,0,0,0,0|2,0,0]=4 26717 B13R1.20 COCC(C)Sc1cc(ccn1)F 62a_100000765312_100000764206 [0,2,0,0,0,0|2,0,0]=4 26718 B13R1.20 COCC(C)Sc1cc(ccn1)N 62a_100000765312_100009814236 [0,2,0,0,0,0|2,0,0]=4 26719 B13R1.20 COCC(C)Sc1cc(ccn1)N 62a_100009814236_100000765312 [0,2,0,0,0,0|2,0,0]=4 26720 B13R1.20 COCC(C)Sc1cc(ccn1)O 62a_100000765312_100000762945 [0,2,0,0,0,0|2,0,0]=4 26721 B13R1.20 COCC(C)Sc1cccc(n1)Br 62a_100000684672_100000765312 [0,2,0,0,0,0|2,0,0]=4 26722 B13R1.20 COCC(C)Sc1cccc(n1)Br 62a_100000765312_100000684672 [0,2,0,0,0,0|2,0,0]=4 26723 B13R1.20 COCC(C)Sc1cccc(n1)C 62a_100000742759_100000765312 [0,2,0,0,0,0|2,0,0]=4 26724 B13R1.20 COCC(C)Sc1cccc(n1)C 62a_100000765312_100000742759 [0,2,0,0,0,0|2,0,0]=4 26725 B13R1.20 COCC(C)Sc1cccc(n1)Cl 62a_100000051397_100000765312 [0,2,0,0,0,0|2,0,0]=4 26726 B13R1.20 COCC(C)Sc1cccc(n1)Cl 62a_100000765312_100000051397 [0,2,0,0,0,0|2,0,0]=4 26727 B13R1.20 COCC(C)Sc1cccc(n1)F 62a_100000765312_100009815982 [0,2,0,0,0,0|2,0,0]=4 26728 B13R1.20 COCC(C)Sc1cccc(n1)F 62a_100009815982_100000765312 [0,2,0,0,0,0|2,0,0]=4 26729 B13R1.20 COCC(C)Sc1cccc(n1)N 62a_100000740741_100000765312 [0,2,0,0,0,0|2,0,0]=4 26730 B13R1.20 COCC(C)Sc1cccc(n1)N 62a_100000765312_100000740741 [0,2,0,0,0,0|2,0,0]=4 26731 B13R1.20 COCC(N)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,2,0,0,0,0|2,0,0]=4 26732 B13R1.20 COCC(N)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,2,0,0,0,0|2,0,0]=4 26733 B13R1.20 COCC(N)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,2,0,0,0,0|2,0,0]=4 26734 B13R1.20 COCN(C)Cc1cc(ccn1)C 2230a_106354213154_100000766300 [0,2,0,0,0,0|2,0,0]=4 26735 B13R1.20 COCN(C)Cc1cc(ccn1)C 269982a_106354213154_100000766300 [0,2,0,0,0,0|2,0,0]=4 26736 B13R1.20 COCN(C)Cc1cc(ccn1)Cl 2230a_100102954512_100000766300 [0,2,0,0,0,0|2,0,0]=4 26737 B13R1.20 COCN(C)Cc1cc(ccn1)Cl 269982a_100102954512_100000766300 [0,2,0,0,0,0|2,0,0]=4 26738 B13R1.20 COCN(C)Cc1cccc(n1)Br 2230a_106354212997_100000766300 [0,2,0,0,0,0|2,0,0]=4 26739 B13R1.20 COCN(C)Cc1cccc(n1)Br 269982a_106354212997_100000766300 [0,2,0,0,0,0|2,0,0]=4 26740 B13R1.20 COCN(C)Cc1cccc(n1)C 2230a_100000687132_100000766300 [0,2,0,0,0,0|2,0,0]=4 26741 B13R1.20 COCN(C)Cc1cccc(n1)C 269982a_100000687132_100000766300 [0,2,0,0,0,0|2,0,0]=4 26742 B13R1.20 COC[C@@H](C)Nc1cc(ccn1)F 27a_100000764878_100000764206 [0,2,0,0,0,0|2,0,0]=4 26743 B13R1.20 COC[C@@H](C)Nc1cccc(n1)F 27a_100000764878_100009815982 [0,2,0,0,0,0|2,0,0]=4 26744 B13R1.20 CSCC(=O)Cc1cc(ccn1)Br 1458a_100000184570_100010173614 [0,2,0,0,0,0|1,0,1]=4 26745 B13R1.20 CSCC(=O)Cc1cc(ccn1)C 1458a_100000184570_100000718516 [0,2,0,0,0,0|1,0,1]=4 26746 B13R1.20 CSCC(=O)Cc1cc(ccn1)Cl 1458a_100000184570_100016988179 [0,2,0,0,0,0|1,0,1]=4 26747 B13R1.20 CSCC(=O)Cc1cccc(n1)Br 1458a_100000184570_100009889011 [0,2,0,0,0,0|1,0,1]=4 26748 B13R1.20 CSCC(=O)Cc1cccc(n1)C 1458a_100000184570_100000757606 [0,2,0,0,0,0|1,0,1]=4 26749 B13R1.20 CSCC(=O)Cc1cccc(n1)Cl 1458a_100000184570_100000086093 [0,2,0,0,0,0|1,0,1]=4 26750 B13R1.20 CSCC(=O)Cc1cccc(n1)F 1458a_100000184570_100009819644 [0,2,0,0,0,0|1,0,1]=4 26751 B13R1.20 CSCN(C)Cc1cc(ccn1)C 2230a_106354213154_100011218213 [0,2,0,0,0,0|2,0,0]=4 26752 B13R1.20 CSCN(C)Cc1cc(ccn1)C 269982a_106354213154_100011218213 [0,2,0,0,0,0|2,0,0]=4 26753 B13R1.20 CSCN(C)Cc1cc(ccn1)Cl 2230a_100102954512_100011218213 [0,2,0,0,0,0|2,0,0]=4 26754 B13R1.20 CSCN(C)Cc1cc(ccn1)Cl 269982a_100102954512_100011218213 [0,2,0,0,0,0|2,0,0]=4 26755 B13R1.20 CSCN(C)Cc1cccc(n1)Br 2230a_106354212997_100011218213 [0,2,0,0,0,0|2,0,0]=4 26756 B13R1.20 CSCN(C)Cc1cccc(n1)Br 269982a_106354212997_100011218213 [0,2,0,0,0,0|2,0,0]=4 26757 B13R1.20 CSCN(C)Cc1cccc(n1)C 2230a_100000687132_100011218213 [0,2,0,0,0,0|2,0,0]=4 26758 B13R1.20 CSCN(C)Cc1cccc(n1)C 269982a_100000687132_100011218213 [0,2,0,0,0,0|2,0,0]=4 26759 B13R1.20 C[C@H](CCO)Nc1cc(ccn1)F 27a_100000706166_100000764206 [0,2,0,0,0,0|2,0,0]=4 26760 B13R1.20 C[C@H](CCO)Nc1cccc(n1)F 27a_100000706166_100009815982 [0,2,0,0,0,0|2,0,0]=4 26761 B13R1.20 Cc1cccc(c1)CC(N)CO[13CH3] 34a_100000716799_200025704644 [0,2,0,0,0,0|2,0,0]=4 26762 B13R1.20 Cc1cccc(n1)CC(=O)CCF 1458a_100012001110_100011217306 [0,2,0,0,0,0|1,0,1]=4 26763 B13R1.20 Cc1cccc(n1)CC(=O)CCO 1458a_100011216618_100000757606 [0,2,0,0,0,0|1,0,1]=4 26764 B13R1.20 Cc1cccc(n1)CC(=O)CCO 1458a_100012001110_100000211926 [0,2,0,0,0,0|1,0,1]=4 26765 B13R1.20 Cc1cccc(n1)CC(C)OCF 34a_200015421231_100015361967 [0,2,0,0,0,0|2,0,0]=4 26766 B13R1.20 Cc1cccc(n1)CN(C)CCF 2230a_100000687132_100011217306 [0,2,0,0,0,0|2,0,0]=4 26767 B13R1.20 Cc1cccc(n1)CN(C)CCF 269982a_100000687132_100011217306 [0,2,0,0,0,0|2,0,0]=4 26768 B13R1.20 Cc1cccc(n1)CN(C)CCO 2230a_100000210263_100000757606 [0,2,0,0,0,0|2,0,0]=4 26769 B13R1.20 Cc1cccc(n1)CN(C)CCO 2230a_100000687132_100000211926 [0,2,0,0,0,0|2,0,0]=4 26770 B13R1.20 Cc1cccc(n1)CN(C)CCO 269982a_100000210263_100000757606 [0,2,0,0,0,0|2,0,0]=4 26771 B13R1.20 Cc1cccc(n1)CN(C)CCO 269982a_100000687132_100000211926 [0,2,0,0,0,0|2,0,0]=4 26772 B13R1.20 Cc1cccc(n1)CN(C)CCO 270004a_100000210263_100011215050 [0,2,0,0,0,0|2,0,0]=4 26773 B13R1.20 Cc1cccc(n1)SC(C)CCO 62a_100000742759_100009893172 [0,2,0,0,0,0|2,0,0]=4 26774 B13R1.20 Cc1cccc(n1)SC(C)CCO 62a_100009893172_100000742759 [0,2,0,0,0,0|2,0,0]=4 26775 B13R1.20 Cc1ccnc(c1)CC(=O)CCO 1458a_100011216618_100000718516 [0,2,0,0,0,0|1,0,1]=4 26776 B13R1.20 Cc1ccnc(c1)CN(C)CCF 2230a_106354213154_100011217306 [0,2,0,0,0,0|2,0,0]=4 26777 B13R1.20 Cc1ccnc(c1)CN(C)CCF 269982a_106354213154_100011217306 [0,2,0,0,0,0|2,0,0]=4 26778 B13R1.20 Cc1ccnc(c1)CN(C)CCO 2230a_100000210263_100000718516 [0,2,0,0,0,0|2,0,0]=4 26779 B13R1.20 Cc1ccnc(c1)CN(C)CCO 2230a_106354213154_100000211926 [0,2,0,0,0,0|2,0,0]=4 26780 B13R1.20 Cc1ccnc(c1)CN(C)CCO 269982a_100000210263_100000718516 [0,2,0,0,0,0|2,0,0]=4 26781 B13R1.20 Cc1ccnc(c1)CN(C)CCO 269982a_106354213154_100000211926 [0,2,0,0,0,0|2,0,0]=4 26782 B13R1.20 Cc1ccnc(c1)CN(C)CCO 270004a_100000210263_100011361488 [0,2,0,0,0,0|2,0,0]=4 26783 B13R1.20 Cc1ccnc(c1)SC(C)CCO 62a_100000750283_100009893172 [0,2,0,0,0,0|2,0,0]=4 26784 B13R1.20 Cc1ccnc(c1)SC(C)CCO 62a_100009893172_100000750283 [0,2,0,0,0,0|2,0,0]=4 26785 B13R1.20 O=C(CCF)Cc1cccc(n1)Br 1458a_100010201708_100011217306 [0,2,0,0,0,0|1,0,1]=4 26786 B13R1.20 O=C(CCF)Cc1cccc(n1)Cl 1458a_100000090259_100011217306 [0,2,0,0,0,0|1,0,1]=4 26787 B13R1.20 O=C(CCF)Cc1cccc(n1)F 1458a_100000096803_100011217306 [0,2,0,0,0,0|1,0,1]=4 26788 B13R1.20 O=C(CCO)Cc1cc(ccn1)Br 1458a_100011216618_100010173614 [0,2,0,0,0,0|1,0,1]=4 26789 B13R1.20 O=C(CCO)Cc1cc(ccn1)Cl 1458a_100011216618_100016988179 [0,2,0,0,0,0|1,0,1]=4 26790 B13R1.20 O=C(CCO)Cc1cccc(n1)Br 1458a_100010201708_100000211926 [0,2,0,0,0,0|1,0,1]=4 26791 B13R1.20 O=C(CCO)Cc1cccc(n1)Br 1458a_100011216618_100009889011 [0,2,0,0,0,0|1,0,1]=4 26792 B13R1.20 O=C(CCO)Cc1cccc(n1)Cl 1458a_100000090259_100000211926 [0,2,0,0,0,0|1,0,1]=4 26793 B13R1.20 O=C(CCO)Cc1cccc(n1)Cl 1458a_100011216618_100000086093 [0,2,0,0,0,0|1,0,1]=4 26794 B13R1.20 O=C(CCO)Cc1cccc(n1)F 1458a_100000096803_100000211926 [0,2,0,0,0,0|1,0,1]=4 26795 B13R1.20 O=C(CCO)Cc1cccc(n1)F 1458a_100011216618_100009819644 [0,2,0,0,0,0|1,0,1]=4 26796 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,2,0,0,0,0|2,0,0]=4 26797 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,2,0,0,0,0|2,0,0]=4 26798 B13R1.55 CCCC=Cc1cc(cc(n1)C)C 271570a_100016258520_100000069240 [0,2,0,0,0,0|0,0,2]=4 26799 B13R1.55 CCCC=Cc1cc(cc(n1)F)C 271570a_100016258520_100009819601 [0,2,0,0,0,0|0,0,2]=4 26800 B13R1.55 CCCC=Cc1cc(cc(n1)N)C 271570a_100016258520_100009819863 [0,2,0,0,0,0|0,0,2]=4 26801 B13R1.55 CCCCNc1cc(cc(c1)Br)Br 27a_100000102301_100009814770 [0,2,0,0,0,0|2,0,0]=4 26802 B13R1.55 CCCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000210210 [0,2,0,0,0,0|2,0,0]=4 26803 B13R1.55 CCCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000210211 [0,2,0,0,0,0|2,0,0]=4 26804 B13R1.55 CCCCNc1cc(cc(c1)Br)C 34a_100000695972_100000210210 [0,2,0,0,0,0|2,0,0]=4 26805 B13R1.55 CCCCNc1cc(cc(c1)Br)C 7a_100000695972_100000210211 [0,2,0,0,0,0|2,0,0]=4 26806 B13R1.55 CCCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000210210 [0,2,0,0,0,0|2,0,0]=4 26807 B13R1.55 CCCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000210211 [0,2,0,0,0,0|2,0,0]=4 26808 B13R1.55 CCCCNc1cc(cc(c1)Br)F 34a_100000705686_100000210210 [0,2,0,0,0,0|2,0,0]=4 26809 B13R1.55 CCCCNc1cc(cc(c1)Br)F 7a_100000705686_100000210211 [0,2,0,0,0,0|2,0,0]=4 26810 B13R1.55 CCCCNc1cc(cc(c1)C)C 2230a_100000210930_100000210211 [0,2,0,0,0,0|2,0,0]=4 26811 B13R1.55 CCCCNc1cc(cc(c1)C)C 34a_100000210930_100000210210 [0,2,0,0,0,0|2,0,0]=4 26812 B13R1.55 CCCCNc1cc(cc(c1)C)C 7a_100000210930_100000210211 [0,2,0,0,0,0|2,0,0]=4 26813 B13R1.55 CCCCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210211 [0,2,0,0,0,0|2,0,0]=4 26814 B13R1.55 CCCCNc1cc(cc(c1)Cl)C 34a_100012022512_100000210210 [0,2,0,0,0,0|2,0,0]=4 26815 B13R1.55 CCCCNc1cc(cc(c1)Cl)C 7a_100012022512_100000210211 [0,2,0,0,0,0|2,0,0]=4 26816 B13R1.55 CCCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000210210 [0,2,0,0,0,0|2,0,0]=4 26817 B13R1.55 CCCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000210211 [0,2,0,0,0,0|2,0,0]=4 26818 B13R1.55 CCCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000210210 [0,2,0,0,0,0|2,0,0]=4 26819 B13R1.55 CCCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000210211 [0,2,0,0,0,0|2,0,0]=4 26820 B13R1.55 CCCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000210210 [0,2,0,0,0,0|2,0,0]=4 26821 B13R1.55 CCCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000210211 [0,2,0,0,0,0|2,0,0]=4 26822 B13R1.55 CCCCNc1cc(cc(c1)F)C 2230a_100000742734_100000210211 [0,2,0,0,0,0|2,0,0]=4 26823 B13R1.55 CCCCNc1cc(cc(c1)F)C 34a_100000742734_100000210210 [0,2,0,0,0,0|2,0,0]=4 26824 B13R1.55 CCCCNc1cc(cc(c1)F)C 7a_100000742734_100000210211 [0,2,0,0,0,0|2,0,0]=4 26825 B13R1.55 CCCCNc1cc(cc(c1)F)F 34a_100000233717_100000210210 [0,2,0,0,0,0|2,0,0]=4 26826 B13R1.55 CCCCNc1cc(cc(c1)F)F 7a_100000233717_100000210211 [0,2,0,0,0,0|2,0,0]=4 26827 B13R1.55 CCCCNc1cc(cc(c1)I)Br 7a_100009814763_100000210211 [0,2,0,0,0,0|2,0,0]=4 26828 B13R1.55 CCCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000210211 [0,2,0,0,0,0|2,0,0]=4 26829 B13R1.55 CCCCNc1cc(cc(c1)I)F 34a_100011356972_100000210210 [0,2,0,0,0,0|2,0,0]=4 26830 B13R1.55 CCCCNc1cc(cc(c1)I)F 7a_100011356972_100000210211 [0,2,0,0,0,0|2,0,0]=4 26831 B13R1.55 CCCCNc1cc(cc(c1)I)I 7a_200000696836_100000210211 [0,2,0,0,0,0|2,0,0]=4 26832 B13R1.55 CCCCNc1cc(cc(c1)O)C 34a_100011995906_100000210210 [0,2,0,0,0,0|2,0,0]=4 26833 B13R1.55 CCCCNc1cc(cc(c1)O)C 7a_100011995906_100000210211 [0,2,0,0,0,0|2,0,0]=4 26834 B13R1.55 CCCCNc1cc(cc(c1)O)O 34a_100000043371_100000210210 [0,2,0,0,0,0|2,0,0]=4 26835 B13R1.55 CCCCNc1cc(cc(n1)C)C 27a_100000102301_100000069240 [0,2,0,0,0,0|1,0,0]=3 26836 B13R1.55 CCCCNc1cc(cc(n1)F)C 27a_100000102301_100009819601 [0,2,0,0,0,0|1,0,0]=3 26837 B13R1.55 CCCCNc1cc(nc(n1)C)C 27a_100000102301_100000736142 [0,2,0,0,0,0|2,0,0]=4 26838 B13R1.55 CCCCNc1cc(nc(n1)C)N 27a_100000102301_100000761517 [0,2,0,0,0,0|2,0,0]=4 26839 B13R1.55 CCCCNc1cc(nc(n1)C)O 27a_100000102301_106741647437 [0,2,0,0,0,0|2,0,0]=4 26840 B13R1.55 CCCCNc1cc(nc(n1)N)C 27a_100000102301_100000183061 [0,2,0,0,0,0|2,0,0]=4 26841 B13R1.55 CCCCNc1cc(nc(n1)N)O 27a_100000102301_100000694715 [0,2,0,0,0,0|2,0,0]=4 26842 B13R1.55 CCCCNc1nc(=O)cc([nH]1)N 27a_100000102301_100000101444 [0,2,0,0,0,0|2,0,0]=4 26843 B13R1.55 CCCCNc1nc(cc(n1)C)C 27a_100000102301_100000736147 [0,2,0,0,0,0|2,0,0]=4 26844 B13R1.55 CCCCNc1nc(cc(n1)N)C 27a_100000102301_100000687285 [0,2,0,0,0,0|2,0,0]=4 26845 B13R1.55 CCCCOc1cc(=O)cc(o1)C 34a_100016989201_100000210210 [0,2,0,0,0,0|2,0,0]=4 26846 B13R1.55 CCCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000210210 [0,2,0,0,0,0|2,0,0]=4 26847 B13R1.55 CCCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210211 [0,2,0,0,0,0|2,0,0]=4 26848 B13R1.55 CCCCOc1cc(cc(c1)Br)C 34a_100011999630_100000210210 [0,2,0,0,0,0|2,0,0]=4 26849 B13R1.55 CCCCOc1cc(cc(c1)Br)C 7a_100011999630_100000210211 [0,2,0,0,0,0|2,0,0]=4 26850 B13R1.55 CCCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000210210 [0,2,0,0,0,0|2,0,0]=4 26851 B13R1.55 CCCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210211 [0,2,0,0,0,0|2,0,0]=4 26852 B13R1.55 CCCCOc1cc(cc(c1)Br)F 34a_100000688818_100000210210 [0,2,0,0,0,0|2,0,0]=4 26853 B13R1.55 CCCCOc1cc(cc(c1)Br)F 7a_100000688818_100000210211 [0,2,0,0,0,0|2,0,0]=4 26854 B13R1.55 CCCCOc1cc(cc(c1)C)C 34a_100000210933_100000210210 [0,2,0,0,0,0|2,0,0]=4 26855 B13R1.55 CCCCOc1cc(cc(c1)C)C 7a_100000210933_100000210211 [0,2,0,0,0,0|2,0,0]=4 26856 B13R1.55 CCCCOc1cc(cc(c1)Cl)C 34a_100000087485_100000210210 [0,2,0,0,0,0|2,0,0]=4 26857 B13R1.55 CCCCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210211 [0,2,0,0,0,0|2,0,0]=4 26858 B13R1.55 CCCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210210 [0,2,0,0,0,0|2,0,0]=4 26859 B13R1.55 CCCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210211 [0,2,0,0,0,0|2,0,0]=4 26860 B13R1.55 CCCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000210210 [0,2,0,0,0,0|2,0,0]=4 26861 B13R1.55 CCCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210211 [0,2,0,0,0,0|2,0,0]=4 26862 B13R1.55 CCCCOc1cc(cc(c1)Cl)N 34a_100000123917_100000210210 [0,2,0,0,0,0|2,0,0]=4 26863 B13R1.55 CCCCOc1cc(cc(c1)Cl)N 7a_100000123917_100000210211 [0,2,0,0,0,0|2,0,0]=4 26864 B13R1.55 CCCCOc1cc(cc(c1)F)C 34a_100011830401_100000210210 [0,2,0,0,0,0|2,0,0]=4 26865 B13R1.55 CCCCOc1cc(cc(c1)F)C 7a_100011830401_100000210211 [0,2,0,0,0,0|2,0,0]=4 26866 B13R1.55 CCCCOc1cc(cc(c1)F)F 34a_100000747503_100000210210 [0,2,0,0,0,0|2,0,0]=4 26867 B13R1.55 CCCCOc1cc(cc(c1)F)F 7a_100000747503_100000210211 [0,2,0,0,0,0|2,0,0]=4 26868 B13R1.55 CCCCOc1cc(cc(c1)I)Br 34a_100010068917_100000210210 [0,2,0,0,0,0|2,0,0]=4 26869 B13R1.55 CCCCOc1cc(cc(c1)I)Br 7a_100010068917_100000210211 [0,2,0,0,0,0|2,0,0]=4 26870 B13R1.55 CCCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000210210 [0,2,0,0,0,0|2,0,0]=4 26871 B13R1.55 CCCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210211 [0,2,0,0,0,0|2,0,0]=4 26872 B13R1.55 CCCCOc1cc(cc(c1)I)F 34a_100000717995_100000210210 [0,2,0,0,0,0|2,0,0]=4 26873 B13R1.55 CCCCOc1cc(cc(c1)I)F 7a_100000717995_100000210211 [0,2,0,0,0,0|2,0,0]=4 26874 B13R1.55 CCCCOc1cc(cc(c1)N)C 34a_100011995906_100000210210 [0,2,0,0,0,0|2,0,0]=4 26875 B13R1.55 CCCCOc1cc(cc(c1)N)C 7a_100011995906_100000210211 [0,2,0,0,0,0|2,0,0]=4 26876 B13R1.55 CCCCSc1cc(cc(c1)Br)Br 62a_100000210211_100009814770 [0,2,0,0,0,0|2,0,0]=4 26877 B13R1.55 CCCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000210210 [0,2,0,0,0,0|2,0,0]=4 26878 B13R1.55 CCCCSc1cc(cc(c1)Br)Cl 62a_100000210211_100009814755 [0,2,0,0,0,0|2,0,0]=4 26879 B13R1.55 CCCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210210 [0,2,0,0,0,0|2,0,0]=4 26880 B13R1.55 CCCCSc1cc(cc(c1)Br)F 62a_100000210211_100009814764 [0,2,0,0,0,0|2,0,0]=4 26881 B13R1.55 CCCCSc1cc(cc(c1)Br)F 62a_100009814764_100000210210 [0,2,0,0,0,0|2,0,0]=4 26882 B13R1.55 CCCCSc1cc(cc(c1)Br)N 62a_100000210211_100009814763 [0,2,0,0,0,0|2,0,0]=4 26883 B13R1.55 CCCCSc1cc(cc(c1)Br)N 62a_100009814763_100000210210 [0,2,0,0,0,0|2,0,0]=4 26884 B13R1.55 CCCCSc1cc(cc(c1)Br)O 62a_100000210211_100010068917 [0,2,0,0,0,0|2,0,0]=4 26885 B13R1.55 CCCCSc1cc(cc(c1)Br)O 62a_100010068917_100000210210 [0,2,0,0,0,0|2,0,0]=4 26886 B13R1.55 CCCCSc1cc(cc(c1)C)C 62a_100000210211_100011215608 [0,2,0,0,0,0|2,0,0]=4 26887 B13R1.55 CCCCSc1cc(cc(c1)C)C 62a_100011215608_100000210210 [0,2,0,0,0,0|2,0,0]=4 26888 B13R1.55 CCCCSc1cc(cc(c1)Cl)C 62a_100000210211_100010172791 [0,2,0,0,0,0|2,0,0]=4 26889 B13R1.55 CCCCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210210 [0,2,0,0,0,0|2,0,0]=4 26890 B13R1.55 CCCCSc1cc(cc(c1)Cl)Cl 62a_100000210211_100000747138 [0,2,0,0,0,0|2,0,0]=4 26891 B13R1.55 CCCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210210 [0,2,0,0,0,0|2,0,0]=4 26892 B13R1.55 CCCCSc1cc(cc(c1)Cl)F 62a_100000210211_100013859453 [0,2,0,0,0,0|2,0,0]=4 26893 B13R1.55 CCCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000210210 [0,2,0,0,0,0|2,0,0]=4 26894 B13R1.55 CCCCSc1cc(cc(c1)Cl)N 62a_100000210211_100010147676 [0,2,0,0,0,0|2,0,0]=4 26895 B13R1.55 CCCCSc1cc(cc(c1)Cl)N 62a_100010147676_100000210210 [0,2,0,0,0,0|2,0,0]=4 26896 B13R1.55 CCCCSc1cc(cc(c1)Cl)O 62a_100000210211_100010068924 [0,2,0,0,0,0|2,0,0]=4 26897 B13R1.55 CCCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210210 [0,2,0,0,0,0|2,0,0]=4 26898 B13R1.55 CCCCSc1cc(cc(c1)F)C 62a_100000210211_100011356977 [0,2,0,0,0,0|2,0,0]=4 26899 B13R1.55 CCCCSc1cc(cc(c1)F)C 62a_100011356977_100000210210 [0,2,0,0,0,0|2,0,0]=4 26900 B13R1.55 CCCCSc1cc(cc(c1)F)F 62a_100000210211_100000233788 [0,2,0,0,0,0|2,0,0]=4 26901 B13R1.55 CCCCSc1cc(cc(c1)F)F 62a_100000233788_100000210210 [0,2,0,0,0,0|2,0,0]=4 26902 B13R1.55 CCCCSc1cc(cc(c1)F)N 62a_100000210211_100011356972 [0,2,0,0,0,0|2,0,0]=4 26903 B13R1.55 CCCCSc1cc(cc(c1)F)N 62a_100011356972_100000210210 [0,2,0,0,0,0|2,0,0]=4 26904 B13R1.55 CCCCSc1cc(cc(c1)F)O 62a_100000210211_100000688818 [0,2,0,0,0,0|2,0,0]=4 26905 B13R1.55 CCCCSc1cc(cc(c1)F)O 62a_100000688818_100000210210 [0,2,0,0,0,0|2,0,0]=4 26906 B13R1.55 CCCCSc1cc(cc(c1)N)C 62a_100000210211_100000695972 [0,2,0,0,0,0|2,0,0]=4 26907 B13R1.55 CCCCSc1cc(cc(c1)N)C 62a_100000695972_100000210210 [0,2,0,0,0,0|2,0,0]=4 26908 B13R1.55 CCCCSc1cc(cc(c1)N)N 62a_100000210211_100011999608 [0,2,0,0,0,0|2,0,0]=4 26909 B13R1.55 CCCCSc1cc(cc(c1)N)N 62a_100011999608_100000210210 [0,2,0,0,0,0|2,0,0]=4 26910 B13R1.55 CCCCSc1cc(cc(c1)O)C 62a_100000210211_100011999630 [0,2,0,0,0,0|2,0,0]=4 26911 B13R1.55 CCCCSc1cc(cc(c1)O)O 62a_100000210211_100009868816 [0,2,0,0,0,0|2,0,0]=4 26912 B13R1.55 CCCCSc1cc(cc(n1)C)C 62a_100000069240_100000210210 [0,2,0,0,0,0|1,0,0]=3 26913 B13R1.55 CCCCSc1cc(cc(n1)C)C 62a_100000210211_100000069240 [0,2,0,0,0,0|1,0,0]=3 26914 B13R1.55 CCCCSc1cc(cc(n1)C)N 62a_100000071261_100000210210 [0,2,0,0,0,0|1,0,0]=3 26915 B13R1.55 CCCCSc1cc(cc(n1)C)N 62a_100000210211_100000071261 [0,2,0,0,0,0|1,0,0]=3 26916 B13R1.55 CCCCSc1cc(cc(n1)F)C 62a_100000210211_100009819601 [0,2,0,0,0,0|1,0,0]=3 26917 B13R1.55 CCCCSc1cc(cc(n1)F)C 62a_100009819601_100000210210 [0,2,0,0,0,0|1,0,0]=3 26918 B13R1.55 CCCCSc1cc(cc(n1)N)C 62a_100000210211_100009819863 [0,2,0,0,0,0|1,0,0]=3 26919 B13R1.55 CCCCSc1cc(cc(n1)N)C 62a_100009819863_100000210210 [0,2,0,0,0,0|1,0,0]=3 26920 B13R1.55 CCCCSc1cc(cc(n1)O)N 62a_100000210211_200012179554 [0,2,0,0,0,0|1,0,0]=3 26921 B13R1.55 CCCCSc1cc(nc(n1)C)C 62a_100000210211_100000736142 [0,2,0,0,0,0|2,0,0]=4 26922 B13R1.55 CCCCSc1cc(nc(n1)C)C 62a_100000736142_100000210210 [0,2,0,0,0,0|2,0,0]=4 26923 B13R1.55 CCCCSc1cc(nc(n1)C)N 62a_100000210211_100000761517 [0,2,0,0,0,0|2,0,0]=4 26924 B13R1.55 CCCCSc1cc(nc(n1)C)N 62a_100000761517_100000210210 [0,2,0,0,0,0|2,0,0]=4 26925 B13R1.55 CCCCSc1cc(nc(n1)C)O 62a_100000210211_106741647437 [0,2,0,0,0,0|2,0,0]=4 26926 B13R1.55 CCCCSc1cc(nc(n1)N)C 62a_100000183061_100000210210 [0,2,0,0,0,0|2,0,0]=4 26927 B13R1.55 CCCCSc1cc(nc(n1)N)C 62a_100000210211_100000183061 [0,2,0,0,0,0|2,0,0]=4 26928 B13R1.55 CCCCSc1cc(nc(n1)N)N 62a_100000212091_100000210210 [0,2,0,0,0,0|2,0,0]=4 26929 B13R1.55 CCCCSc1cc(nc(n1)N)O 62a_100000694715_100000210210 [0,2,0,0,0,0|2,0,0]=4 26930 B13R1.55 CCCCSc1nc(=O)cc([nH]1)N 62a_100000101444_100000210210 [0,2,0,0,0,0|2,0,0]=4 26931 B13R1.55 CCCCSc1nc(=O)cc([nH]1)N 62a_100000210211_100000101444 [0,2,0,0,0,0|2,0,0]=4 26932 B13R1.55 CCCCSc1nc(cc(n1)C)C 62a_100000210211_100000736147 [0,2,0,0,0,0|2,0,0]=4 26933 B13R1.55 CCCCSc1nc(cc(n1)C)C 62a_100000736147_100000210210 [0,2,0,0,0,0|2,0,0]=4 26934 B13R1.55 CCCCSc1nc(cc(n1)Cl)Cl 62a_100000210211_100010365624 [0,2,0,0,0,0|2,0,0]=4 26935 B13R1.55 CCCCSc1nc(cc(n1)Cl)Cl 62a_100010365624_100000210210 [0,2,0,0,0,0|2,0,0]=4 26936 B13R1.55 CCCCSc1nc(cc(n1)N)C 62a_100000210211_100000687285 [0,2,0,0,0,0|2,0,0]=4 26937 B13R1.55 CCCCSc1nc(cc(n1)N)C 62a_100000687285_100000210210 [0,2,0,0,0,0|2,0,0]=4 26938 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 207a_100020643023_100000719502 [0,2,0,0,0,0|2,0,0]=4 26939 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000210303 [0,2,0,0,0,0|2,0,0]=4 26940 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 269862a_100020643023_100000719502 [0,2,0,0,0,0|2,0,0]=4 26941 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 270004a_100020643023_100000719502 [0,2,0,0,0,0|2,0,0]=4 26942 B13R1.55 CCCNCc1cc(cc(c1)Br)Br 34a_100015211796_100000210303 [0,2,0,0,0,0|2,0,0]=4 26943 B13R1.55 CCCNCc1cc(cc(c1)Br)C 207a_100020643023_100000686105 [0,2,0,0,0,0|2,0,0]=4 26944 B13R1.55 CCCNCc1cc(cc(c1)Br)C 269862a_100020643023_100000686105 [0,2,0,0,0,0|2,0,0]=4 26945 B13R1.55 CCCNCc1cc(cc(c1)Br)C 270004a_100020643023_100000686105 [0,2,0,0,0,0|2,0,0]=4 26946 B13R1.55 CCCNCc1cc(cc(c1)Br)Cl 207a_100020643023_100011934515 [0,2,0,0,0,0|2,0,0]=4 26947 B13R1.55 CCCNCc1cc(cc(c1)Br)Cl 269862a_100020643023_100011934515 [0,2,0,0,0,0|2,0,0]=4 26948 B13R1.55 CCCNCc1cc(cc(c1)Br)Cl 270004a_100020643023_100011934515 [0,2,0,0,0,0|2,0,0]=4 26949 B13R1.55 CCCNCc1cc(cc(c1)Br)F 207a_100020643023_100011794424 [0,2,0,0,0,0|2,0,0]=4 26950 B13R1.55 CCCNCc1cc(cc(c1)Br)F 2230a_100020611034_100000210303 [0,2,0,0,0,0|2,0,0]=4 26951 B13R1.55 CCCNCc1cc(cc(c1)Br)F 269862a_100020643023_100011794424 [0,2,0,0,0,0|2,0,0]=4 26952 B13R1.55 CCCNCc1cc(cc(c1)Br)F 270004a_100020643023_100011794424 [0,2,0,0,0,0|2,0,0]=4 26953 B13R1.55 CCCNCc1cc(cc(c1)Br)F 34a_100020611034_100000210303 [0,2,0,0,0,0|2,0,0]=4 26954 B13R1.55 CCCNCc1cc(cc(c1)Br)O 207a_100020643023_100010176088 [0,2,0,0,0,0|2,0,0]=4 26955 B13R1.55 CCCNCc1cc(cc(c1)Br)O 270004a_100020643023_100010176088 [0,2,0,0,0,0|2,0,0]=4 26956 B13R1.55 CCCNCc1cc(cc(c1)C)C 207a_100020643023_100000745632 [0,2,0,0,0,0|2,0,0]=4 26957 B13R1.55 CCCNCc1cc(cc(c1)C)C 2230a_100020591340_100000210303 [0,2,0,0,0,0|2,0,0]=4 26958 B13R1.55 CCCNCc1cc(cc(c1)C)C 270004a_100020643023_100000745632 [0,2,0,0,0,0|2,0,0]=4 26959 B13R1.55 CCCNCc1cc(cc(c1)C)C 34a_100020591340_100000210303 [0,2,0,0,0,0|2,0,0]=4 26960 B13R1.55 CCCNCc1cc(cc(c1)Cl)C 207a_100020643023_100000684525 [0,2,0,0,0,0|2,0,0]=4 26961 B13R1.55 CCCNCc1cc(cc(c1)Cl)C 270004a_100020643023_100000684525 [0,2,0,0,0,0|2,0,0]=4 26962 B13R1.55 CCCNCc1cc(cc(c1)Cl)Cl 207a_100020643023_100000741761 [0,2,0,0,0,0|2,0,0]=4 26963 B13R1.55 CCCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000210303 [0,2,0,0,0,0|2,0,0]=4 26964 B13R1.55 CCCNCc1cc(cc(c1)Cl)Cl 270004a_100020643023_100000741761 [0,2,0,0,0,0|2,0,0]=4 26965 B13R1.55 CCCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000210303 [0,2,0,0,0,0|2,0,0]=4 26966 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 207a_100020643023_100000703917 [0,2,0,0,0,0|2,0,0]=4 26967 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000210303 [0,2,0,0,0,0|2,0,0]=4 26968 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 269862a_100020643023_100000703917 [0,2,0,0,0,0|2,0,0]=4 26969 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 270004a_100020643023_100000703917 [0,2,0,0,0,0|2,0,0]=4 26970 B13R1.55 CCCNCc1cc(cc(c1)Cl)F 34a_100137329012_100000210303 [0,2,0,0,0,0|2,0,0]=4 26971 B13R1.55 CCCNCc1cc(cc(c1)Cl)O 207a_100020643023_100000050827 [0,2,0,0,0,0|2,0,0]=4 26972 B13R1.55 CCCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210303 [0,2,0,0,0,0|2,0,0]=4 26973 B13R1.55 CCCNCc1cc(cc(c1)Cl)O 270004a_100020643023_100000050827 [0,2,0,0,0,0|2,0,0]=4 26974 B13R1.55 CCCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000210303 [0,2,0,0,0,0|2,0,0]=4 26975 B13R1.55 CCCNCc1cc(cc(c1)F)C 207a_100020643023_100011217087 [0,2,0,0,0,0|2,0,0]=4 26976 B13R1.55 CCCNCc1cc(cc(c1)F)C 2230a_100011830484_100000210303 [0,2,0,0,0,0|2,0,0]=4 26977 B13R1.55 CCCNCc1cc(cc(c1)F)C 270004a_100020643023_100011217087 [0,2,0,0,0,0|2,0,0]=4 26978 B13R1.55 CCCNCc1cc(cc(c1)F)C 34a_100011830484_100000210303 [0,2,0,0,0,0|2,0,0]=4 26979 B13R1.55 CCCNCc1cc(cc(c1)F)F 207a_100020643023_100000743029 [0,2,0,0,0,0|2,0,0]=4 26980 B13R1.55 CCCNCc1cc(cc(c1)F)F 2230a_100000737602_100000210303 [0,2,0,0,0,0|2,0,0]=4 26981 B13R1.55 CCCNCc1cc(cc(c1)F)F 269862a_100020643023_100000743029 [0,2,0,0,0,0|2,0,0]=4 26982 B13R1.55 CCCNCc1cc(cc(c1)F)F 270004a_100020643023_100000743029 [0,2,0,0,0,0|2,0,0]=4 26983 B13R1.55 CCCNCc1cc(cc(c1)F)F 34a_100000737602_100000210303 [0,2,0,0,0,0|2,0,0]=4 26984 B13R1.55 CCCNCc1cc(cc(c1)F)O 207a_100020643023_100000703664 [0,2,0,0,0,0|2,0,0]=4 26985 B13R1.55 CCCNCc1cc(cc(c1)F)O 2230a_100160469513_100000210303 [0,2,0,0,0,0|2,0,0]=4 26986 B13R1.55 CCCNCc1cc(cc(c1)F)O 270004a_100020643023_100000703664 [0,2,0,0,0,0|2,0,0]=4 26987 B13R1.55 CCCNCc1cc(cc(c1)F)O 34a_100160469513_100000210303 [0,2,0,0,0,0|2,0,0]=4 26988 B13R1.55 CCCNCc1cc(cc(c1)I)Br 207a_100020643023_100010185649 [0,2,0,0,0,0|2,0,0]=4 26989 B13R1.55 CCCNCc1cc(cc(c1)I)Br 269862a_100020643023_100010185649 [0,2,0,0,0,0|2,0,0]=4 26990 B13R1.55 CCCNCc1cc(cc(c1)I)Br 270004a_100020643023_100010185649 [0,2,0,0,0,0|2,0,0]=4 26991 B13R1.55 CCCNCc1cc(cc(c1)I)F 207a_100020643023_100010185655 [0,2,0,0,0,0|2,0,0]=4 26992 B13R1.55 CCCNCc1cc(cc(c1)I)F 269862a_100020643023_100010185655 [0,2,0,0,0,0|2,0,0]=4 26993 B13R1.55 CCCNCc1cc(cc(c1)I)F 270004a_100020643023_100010185655 [0,2,0,0,0,0|2,0,0]=4 26994 B13R1.55 CCCNCc1cc(cc(c1)I)I 207a_100020643023_100010185653 [0,2,0,0,0,0|2,0,0]=4 26995 B13R1.55 CCCNCc1cc(cc(c1)I)I 269862a_100020643023_100010185653 [0,2,0,0,0,0|2,0,0]=4 26996 B13R1.55 CCCNCc1cc(cc(c1)O)C 207a_100020643023_100009853434 [0,2,0,0,0,0|2,0,0]=4 26997 B13R1.55 CCCNCc1cc(cc(c1)O)C 270004a_100020643023_100009853434 [0,2,0,0,0,0|2,0,0]=4 26998 B13R1.55 CCCNCc1cc(cc(c1)O)O 207a_100020643023_100000043415 [0,2,0,0,0,0|2,0,0]=4 26999 B13R1.55 CCCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210303 [0,2,0,0,0,0|2,0,0]=4 27000 B13R1.55 CCCNCc1cc(cc(c1)O)O 34a_100159270720_100000210303 [0,2,0,0,0,0|2,0,0]=4 27001 B13R1.55 CCCNCc1cc(cc(n1)C)Br 270004a_100020643023_100009814795 [0,2,0,0,0,0|1,0,0]=3 27002 B13R1.55 CCCNCc1cc(cc(n1)Cl)Cl 270004a_100020643023_200009876806 [0,2,0,0,0,0|1,0,0]=3 27003 B13R1.55 CCCOCc1cc(=O)[nH]c(n1)O 34a_100000210258_100000185147 [0,2,0,0,0,0|2,0,0]=4 27004 B13R1.55 CCCOCc1cc(cc(c1)Br)Br 34a_100000210258_100011216082 [0,2,0,0,0,0|2,0,0]=4 27005 B13R1.55 CCCOCc1cc(cc(c1)Br)Br 34a_100011218366_100000210303 [0,2,0,0,0,0|2,0,0]=4 27006 B13R1.55 CCCOCc1cc(cc(c1)Br)Br 7a_100011218366_100000210303 [0,2,0,0,0,0|2,0,0]=4 27007 B13R1.55 CCCOCc1cc(cc(c1)Br)C 34a_100000210258_100012348363 [0,2,0,0,0,0|2,0,0]=4 27008 B13R1.55 CCCOCc1cc(cc(c1)Br)C 34a_100000720511_100000210303 [0,2,0,0,0,0|2,0,0]=4 27009 B13R1.55 CCCOCc1cc(cc(c1)Br)C 7a_100000720511_100000210303 [0,2,0,0,0,0|2,0,0]=4 27010 B13R1.55 CCCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100000210303 [0,2,0,0,0,0|2,0,0]=4 27011 B13R1.55 CCCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100000210303 [0,2,0,0,0,0|2,0,0]=4 27012 B13R1.55 CCCOCc1cc(cc(c1)Br)F 34a_100000210258_100000766940 [0,2,0,0,0,0|2,0,0]=4 27013 B13R1.55 CCCOCc1cc(cc(c1)Br)F 34a_100000766897_100000210303 [0,2,0,0,0,0|2,0,0]=4 27014 B13R1.55 CCCOCc1cc(cc(c1)Br)F 7a_100000766897_100000210303 [0,2,0,0,0,0|2,0,0]=4 27015 B13R1.55 CCCOCc1cc(cc(c1)C)C 34a_100000210258_100000181317 [0,2,0,0,0,0|2,0,0]=4 27016 B13R1.55 CCCOCc1cc(cc(c1)C)C 34a_100011216556_100000210303 [0,2,0,0,0,0|2,0,0]=4 27017 B13R1.55 CCCOCc1cc(cc(c1)C)C 7a_100011216556_100000210303 [0,2,0,0,0,0|2,0,0]=4 27018 B13R1.55 CCCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100000210303 [0,2,0,0,0,0|2,0,0]=4 27019 B13R1.55 CCCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100000210303 [0,2,0,0,0,0|2,0,0]=4 27020 B13R1.55 CCCOCc1cc(cc(c1)Cl)F 34a_100000210258_100011219885 [0,2,0,0,0,0|2,0,0]=4 27021 B13R1.55 CCCOCc1cc(cc(c1)Cl)F 34a_100011217560_100000210303 [0,2,0,0,0,0|2,0,0]=4 27022 B13R1.55 CCCOCc1cc(cc(c1)Cl)F 7a_100011217560_100000210303 [0,2,0,0,0,0|2,0,0]=4 27023 B13R1.55 CCCOCc1cc(cc(c1)Cl)N 34a_100012002482_100000210303 [0,2,0,0,0,0|2,0,0]=4 27024 B13R1.55 CCCOCc1cc(cc(c1)Cl)N 7a_100012002482_100000210303 [0,2,0,0,0,0|2,0,0]=4 27025 B13R1.55 CCCOCc1cc(cc(c1)F)C 34a_100000210258_100011219130 [0,2,0,0,0,0|2,0,0]=4 27026 B13R1.55 CCCOCc1cc(cc(c1)F)C 34a_100011217934_100000210303 [0,2,0,0,0,0|2,0,0]=4 27027 B13R1.55 CCCOCc1cc(cc(c1)F)C 7a_100011217934_100000210303 [0,2,0,0,0,0|2,0,0]=4 27028 B13R1.55 CCCOCc1cc(cc(c1)F)F 34a_100000210258_100000697002 [0,2,0,0,0,0|2,0,0]=4 27029 B13R1.55 CCCOCc1cc(cc(c1)F)F 34a_100011215443_100000210303 [0,2,0,0,0,0|2,0,0]=4 27030 B13R1.55 CCCOCc1cc(cc(c1)F)F 7a_100011215443_100000210303 [0,2,0,0,0,0|2,0,0]=4 27031 B13R1.55 CCCOCc1cc(cc(c1)I)Br 34a_100000210258_100010146614 [0,2,0,0,0,0|2,0,0]=4 27032 B13R1.55 CCCOCc1cc(cc(c1)I)Br 7a_100009814756_100000210303 [0,2,0,0,0,0|2,0,0]=4 27033 B13R1.55 CCCOCc1cc(cc(c1)I)F 34a_100000210258_100010149605 [0,2,0,0,0,0|2,0,0]=4 27034 B13R1.55 CCCOCc1cc(cc(c1)I)F 34a_100010149598_100000210303 [0,2,0,0,0,0|2,0,0]=4 27035 B13R1.55 CCCOCc1cc(cc(c1)I)F 7a_100010149598_100000210303 [0,2,0,0,0,0|2,0,0]=4 27036 B13R1.55 CCCOCc1cc(cc(c1)I)I 7a_100010205817_100000210303 [0,2,0,0,0,0|2,0,0]=4 27037 B13R1.55 CCCOCc1cc(cc(c1)N)N 34a_100000032468_100000210303 [0,2,0,0,0,0|2,0,0]=4 27038 B13R1.55 CCCOCc1cc(cc(n1)C)Br 34a_100010178681_100000210303 [0,2,0,0,0,0|1,0,0]=3 27039 B13R1.55 CCCOCc1cc(cc(n1)C)C 34a_100000210258_100012357514 [0,2,0,0,0,0|1,0,0]=3 27040 B13R1.55 CCCOCc1cc(cc(n1)C)C 34a_100012182918_100000210303 [0,2,0,0,0,0|1,0,0]=3 27041 B13R1.55 CCCOCc1nc(cc(n1)C)C 34a_100000210258_100011935097 [0,2,0,0,0,0|2,0,0]=4 27042 B13R1.55 CCCSCc1cc(=O)[nH]c(n1)O 62a_100000210303_100000185147 [0,2,0,0,0,0|2,0,0]=4 27043 B13R1.55 CCCSCc1cc(cc(c1)Br)Br 62a_100000210303_100011216082 [0,2,0,0,0,0|2,0,0]=4 27044 B13R1.55 CCCSCc1cc(cc(c1)Br)Br 62a_100011216082_100000210303 [0,2,0,0,0,0|2,0,0]=4 27045 B13R1.55 CCCSCc1cc(cc(c1)Br)C 62a_100000210303_100012348363 [0,2,0,0,0,0|2,0,0]=4 27046 B13R1.55 CCCSCc1cc(cc(c1)Br)C 62a_100012348363_100000210303 [0,2,0,0,0,0|2,0,0]=4 27047 B13R1.55 CCCSCc1cc(cc(c1)Br)F 62a_100000210303_100000766940 [0,2,0,0,0,0|2,0,0]=4 27048 B13R1.55 CCCSCc1cc(cc(c1)Br)F 62a_100000766940_100000210303 [0,2,0,0,0,0|2,0,0]=4 27049 B13R1.55 CCCSCc1cc(cc(c1)C)C 62a_100000181317_100000210303 [0,2,0,0,0,0|2,0,0]=4 27050 B13R1.55 CCCSCc1cc(cc(c1)C)C 62a_100000210303_100000181317 [0,2,0,0,0,0|2,0,0]=4 27051 B13R1.55 CCCSCc1cc(cc(c1)Cl)Cl 62a_100000210303_100011219208 [0,2,0,0,0,0|2,0,0]=4 27052 B13R1.55 CCCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100000210303 [0,2,0,0,0,0|2,0,0]=4 27053 B13R1.55 CCCSCc1cc(cc(c1)Cl)F 62a_100000210303_100011219885 [0,2,0,0,0,0|2,0,0]=4 27054 B13R1.55 CCCSCc1cc(cc(c1)Cl)F 62a_100011219885_100000210303 [0,2,0,0,0,0|2,0,0]=4 27055 B13R1.55 CCCSCc1cc(cc(c1)F)C 62a_100000210303_100011219130 [0,2,0,0,0,0|2,0,0]=4 27056 B13R1.55 CCCSCc1cc(cc(c1)F)C 62a_100011219130_100000210303 [0,2,0,0,0,0|2,0,0]=4 27057 B13R1.55 CCCSCc1cc(cc(c1)F)F 62a_100000210303_100000697002 [0,2,0,0,0,0|2,0,0]=4 27058 B13R1.55 CCCSCc1cc(cc(c1)F)F 62a_100000697002_100000210303 [0,2,0,0,0,0|2,0,0]=4 27059 B13R1.55 CCCSCc1cc(cc(c1)I)Br 62a_100000210303_100010146614 [0,2,0,0,0,0|2,0,0]=4 27060 B13R1.55 CCCSCc1cc(cc(c1)I)Br 62a_100010146614_100000210303 [0,2,0,0,0,0|2,0,0]=4 27061 B13R1.55 CCCSCc1cc(cc(c1)I)F 62a_100000210303_100010149605 [0,2,0,0,0,0|2,0,0]=4 27062 B13R1.55 CCCSCc1cc(cc(c1)I)F 62a_100010149605_100000210303 [0,2,0,0,0,0|2,0,0]=4 27063 B13R1.55 CCCSCc1cc(cc(n1)C)C 62a_100000210303_100012357514 [0,2,0,0,0,0|1,0,0]=3 27064 B13R1.55 CCCSCc1cc(cc(n1)C)C 62a_100012357514_100000210303 [0,2,0,0,0,0|1,0,0]=3 27065 B13R1.55 CCCSCc1nc(cc(n1)C)C 62a_100000210303_100011935097 [0,2,0,0,0,0|2,0,0]=4 27066 B13R1.55 CCCSCc1nc(cc(n1)C)C 62a_100011935097_100000210303 [0,2,0,0,0,0|2,0,0]=4 27067 B13R1.55 CCCSCc1nc(cc(n1)Cl)Cl 62a_100000210303_200012001690 [0,2,0,0,0,0|2,0,0]=4 27068 B13R1.55 CCCSCc1nc(cc(n1)Cl)Cl 62a_200012001690_100000210303 [0,2,0,0,0,0|2,0,0]=4 27069 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100000210202 [0,2,0,0,0,0|2,0,0]=4 27070 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 2230a_100015525214_100000691793 [0,2,0,0,0,0|2,0,0]=4 27071 B13R1.55 CCNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100000210202 [0,2,0,0,0,0|2,0,0]=4 27072 B13R1.55 CCNCCc1cc(cc(c1)F)F 2230a_100000748410_100000210202 [0,2,0,0,0,0|2,0,0]=4 27073 B13R1.55 CCNCCc1cc(cc(c1)F)F 2230a_100015525214_100011754442 [0,2,0,0,0,0|2,0,0]=4 27074 B13R1.55 CCNCCc1cc(cc(c1)F)F 34a_100000748410_100000210202 [0,2,0,0,0,0|2,0,0]=4 27075 B13R1.55 CCOCCc1cc(cc(c1)Br)Br 34a_100010243668_100000210202 [0,2,0,0,0,0|2,0,0]=4 27076 B13R1.55 CCOCCc1cc(cc(c1)Br)Br 7a_100010243668_100000210202 [0,2,0,0,0,0|2,0,0]=4 27077 B13R1.55 CCOCCc1cc(cc(c1)Br)F 34a_100012630564_100000210202 [0,2,0,0,0,0|2,0,0]=4 27078 B13R1.55 CCOCCc1cc(cc(c1)Br)F 7a_100012630564_100000210202 [0,2,0,0,0,0|2,0,0]=4 27079 B13R1.55 CCOCCc1cc(cc(c1)Cl)Cl 34a_100000720051_100000210202 [0,2,0,0,0,0|2,0,0]=4 27080 B13R1.55 CCOCCc1cc(cc(c1)Cl)Cl 34a_100121572206_100000691793 [0,2,0,0,0,0|2,0,0]=4 27081 B13R1.55 CCOCCc1cc(cc(c1)Cl)Cl 7a_100000720051_100000210202 [0,2,0,0,0,0|2,0,0]=4 27082 B13R1.55 CCOCCc1cc(cc(c1)F)F 34a_100011754358_100000210202 [0,2,0,0,0,0|2,0,0]=4 27083 B13R1.55 CCOCCc1cc(cc(c1)F)F 34a_100121572206_100011754442 [0,2,0,0,0,0|2,0,0]=4 27084 B13R1.55 CCOCCc1cc(cc(c1)F)F 7a_100011754358_100000210202 [0,2,0,0,0,0|2,0,0]=4 27085 B13R1.55 CCOCSc1cc(cc(n1)C)C 62a_100000069240_100000739092 [0,2,0,0,0,0|2,0,0]=4 27086 B13R1.55 CCOCSc1cc(cc(n1)C)C 62a_100000739092_100000069240 [0,2,0,0,0,0|2,0,0]=4 27087 B13R1.55 CCOCSc1cc(cc(n1)C)N 62a_100000071261_100000739092 [0,2,0,0,0,0|2,0,0]=4 27088 B13R1.55 CCOCSc1cc(cc(n1)C)N 62a_100000739092_100000071261 [0,2,0,0,0,0|2,0,0]=4 27089 B13R1.55 CCOCSc1cc(cc(n1)F)C 62a_100000739092_100009819601 [0,2,0,0,0,0|2,0,0]=4 27090 B13R1.55 CCOCSc1cc(cc(n1)F)C 62a_100009819601_100000739092 [0,2,0,0,0,0|2,0,0]=4 27091 B13R1.55 CCOCSc1cc(cc(n1)N)C 62a_100000739092_100009819863 [0,2,0,0,0,0|2,0,0]=4 27092 B13R1.55 CCOCSc1cc(cc(n1)N)C 62a_100009819863_100000739092 [0,2,0,0,0,0|2,0,0]=4 27093 B13R1.55 CCOCSc1cc(cc(n1)O)N 62a_100000739092_200012179554 [0,2,0,0,0,0|2,0,0]=4 27094 B13R1.55 CCSCCc1cc(cc(c1)Cl)Cl 62a_100000210202_100000691793 [0,2,0,0,0,0|2,0,0]=4 27095 B13R1.55 CCSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_100000210202 [0,2,0,0,0,0|2,0,0]=4 27096 B13R1.55 CCSCCc1cc(cc(c1)F)F 62a_100000210202_100011754442 [0,2,0,0,0,0|2,0,0]=4 27097 B13R1.55 CCSCCc1cc(cc(c1)F)F 62a_100011754442_100000210202 [0,2,0,0,0,0|2,0,0]=4 27098 B13R1.55 COCCCc1cc(cc(c1)F)F 34a_100011999496_200000210301 [0,2,0,0,0,0|2,0,0]=4 27099 B13R1.55 COCCCc1cc(cc(c1)F)F 7a_100011999496_200000210301 [0,2,0,0,0,0|2,0,0]=4 27100 B13R1.55 COCCNc1cc(cc(n1)C)C 27a_100000209980_100000069240 [0,2,0,0,0,0|2,0,0]=4 27101 B13R1.55 COCCNc1cc(cc(n1)F)C 27a_100000209980_100009819601 [0,2,0,0,0,0|2,0,0]=4 27102 B13R1.55 COCCSc1cc(cc(n1)C)C 62a_100000069240_100000233755 [0,2,0,0,0,0|2,0,0]=4 27103 B13R1.55 COCCSc1cc(cc(n1)C)C 62a_100000233755_100000069240 [0,2,0,0,0,0|2,0,0]=4 27104 B13R1.55 COCCSc1cc(cc(n1)C)N 62a_100000071261_100000233755 [0,2,0,0,0,0|2,0,0]=4 27105 B13R1.55 COCCSc1cc(cc(n1)C)N 62a_100000233755_100000071261 [0,2,0,0,0,0|2,0,0]=4 27106 B13R1.55 COCCSc1cc(cc(n1)F)C 62a_100000233755_100009819601 [0,2,0,0,0,0|2,0,0]=4 27107 B13R1.55 COCCSc1cc(cc(n1)F)C 62a_100009819601_100000233755 [0,2,0,0,0,0|2,0,0]=4 27108 B13R1.55 COCCSc1cc(cc(n1)N)C 62a_100000233755_100009819863 [0,2,0,0,0,0|2,0,0]=4 27109 B13R1.55 COCCSc1cc(cc(n1)N)C 62a_100009819863_100000233755 [0,2,0,0,0,0|2,0,0]=4 27110 B13R1.55 COCCSc1cc(cc(n1)O)N 62a_100000233755_200012179554 [0,2,0,0,0,0|2,0,0]=4 27111 B13R1.55 COCSCc1cc(cc(n1)C)C 62a_100000766300_100012357514 [0,2,0,0,0,0|2,0,0]=4 27112 B13R1.55 COCSCc1cc(cc(n1)C)C 62a_100012357514_100000766300 [0,2,0,0,0,0|2,0,0]=4 27113 B13R1.55 CSCCNc1cc(cc(n1)C)C 27a_100020590264_100000069240 [0,2,0,0,0,0|2,0,0]=4 27114 B13R1.55 CSCCNc1cc(cc(n1)F)C 27a_100020590264_100009819601 [0,2,0,0,0,0|2,0,0]=4 27115 B13R1.55 CSCCSc1cc(cc(n1)C)C 62a_100000069240_100000751147 [0,2,0,0,0,0|2,0,0]=4 27116 B13R1.55 CSCCSc1cc(cc(n1)C)C 62a_100000212216_100000069240 [0,2,0,0,0,0|2,0,0]=4 27117 B13R1.55 CSCCSc1cc(cc(n1)C)N 62a_100000071261_100000751147 [0,2,0,0,0,0|2,0,0]=4 27118 B13R1.55 CSCCSc1cc(cc(n1)C)N 62a_100000212216_100000071261 [0,2,0,0,0,0|2,0,0]=4 27119 B13R1.55 CSCCSc1cc(cc(n1)F)C 62a_100000212216_100009819601 [0,2,0,0,0,0|2,0,0]=4 27120 B13R1.55 CSCCSc1cc(cc(n1)F)C 62a_100009819601_100000751147 [0,2,0,0,0,0|2,0,0]=4 27121 B13R1.55 CSCCSc1cc(cc(n1)N)C 62a_100000212216_100009819863 [0,2,0,0,0,0|2,0,0]=4 27122 B13R1.55 CSCCSc1cc(cc(n1)N)C 62a_100009819863_100000751147 [0,2,0,0,0,0|2,0,0]=4 27123 B13R1.55 CSCCSc1cc(cc(n1)O)N 62a_100000212216_200012179554 [0,2,0,0,0,0|2,0,0]=4 27124 B13R1.55 CSCOCc1cc(cc(n1)C)Br 34a_100010178681_100011218213 [0,2,0,0,0,0|2,0,0]=4 27125 B13R1.55 CSCOCc1cc(cc(n1)C)C 34a_100012182918_100011218213 [0,2,0,0,0,0|2,0,0]=4 27126 B13R1.55 CSCSCc1cc(cc(n1)C)C 62a_100011218213_100012357514 [0,2,0,0,0,0|2,0,0]=4 27127 B13R1.55 CSCSCc1cc(cc(n1)C)C 62a_100012357514_100011218213 [0,2,0,0,0,0|2,0,0]=4 27128 B13R1.55 Cc1cc(cc(n1)CNCCO)Br 270004a_100000210304_100009814795 [0,2,0,0,0,0|2,0,0]=4 27129 B13R1.55 Cc1cc(cc(n1)COCCF)Br 34a_100010178681_100011217306 [0,2,0,0,0,0|2,0,0]=4 27130 B13R1.55 Cc1cc(cc(n1)COCCO)Br 34a_100010178681_100000211926 [0,2,0,0,0,0|2,0,0]=4 27131 B13R1.55 Cc1cc(cc(n1)SCCCF)N 62a_100000071261_100011934791 [0,2,0,0,0,0|2,0,0]=4 27132 B13R1.55 Cc1cc(cc(n1)SCCCF)N 62a_100011934791_100000071261 [0,2,0,0,0,0|2,0,0]=4 27133 B13R1.55 Cc1cc(cc(n1)SCCCO)N 62a_100000071261_100011215043 [0,2,0,0,0,0|2,0,0]=4 27134 B13R1.55 Cc1cc(cc(n1)SCCCO)N 62a_100011215043_100000071261 [0,2,0,0,0,0|2,0,0]=4 27135 B13R1.55 Cc1cc(nc(c1)CNCCF)C 34a_100000724931_100012357514 [0,2,0,0,0,0|2,0,0]=4 27136 B13R1.55 Cc1cc(nc(c1)CNCCO)C 2230a_100016997473_100012357514 [0,2,0,0,0,0|2,0,0]=4 27137 B13R1.55 Cc1cc(nc(c1)CNCCO)C 34a_100016990907_100012357514 [0,2,0,0,0,0|2,0,0]=4 27138 B13R1.55 Cc1cc(nc(c1)COCCBr)C 34a_100000211926_100012357514 [0,2,0,0,0,0|2,0,0]=4 27139 B13R1.55 Cc1cc(nc(c1)COCCF)C 34a_100012182918_100011217306 [0,2,0,0,0,0|2,0,0]=4 27140 B13R1.55 Cc1cc(nc(c1)COCCN)C 34a_100000210304_100012357514 [0,2,0,0,0,0|2,0,0]=4 27141 B13R1.55 Cc1cc(nc(c1)COCCO)C 34a_100012182918_100000211926 [0,2,0,0,0,0|2,0,0]=4 27142 B13R1.55 Cc1cc(nc(c1)CSCCF)C 62a_100011217306_100012357514 [0,2,0,0,0,0|2,0,0]=4 27143 B13R1.55 Cc1cc(nc(c1)CSCCF)C 62a_100012357514_100011217306 [0,2,0,0,0,0|2,0,0]=4 27144 B13R1.55 Cc1cc(nc(c1)CSCCO)C 62a_100000211926_100012357514 [0,2,0,0,0,0|2,0,0]=4 27145 B13R1.55 Cc1cc(nc(c1)CSCCO)C 62a_100012357514_100000211926 [0,2,0,0,0,0|2,0,0]=4 27146 B13R1.55 Cc1cc(nc(c1)NCCCF)C 27a_100015189416_100000069240 [0,2,0,0,0,0|2,0,0]=4 27147 B13R1.55 Cc1cc(nc(c1)NCCCF)F 27a_100015189416_100009819601 [0,2,0,0,0,0|2,0,0]=4 27148 B13R1.55 Cc1cc(nc(c1)NCCCO)C 27a_100000182051_100000069240 [0,2,0,0,0,0|2,0,0]=4 27149 B13R1.55 Cc1cc(nc(c1)NCCCO)F 27a_100000182051_100009819601 [0,2,0,0,0,0|2,0,0]=4 27150 B13R1.55 Cc1cc(nc(c1)SCCCF)C 62a_100000069240_100011934791 [0,2,0,0,0,0|2,0,0]=4 27151 B13R1.55 Cc1cc(nc(c1)SCCCF)C 62a_100011934791_100000069240 [0,2,0,0,0,0|2,0,0]=4 27152 B13R1.55 Cc1cc(nc(c1)SCCCF)F 62a_100009819601_100011934791 [0,2,0,0,0,0|2,0,0]=4 27153 B13R1.55 Cc1cc(nc(c1)SCCCF)F 62a_100011934791_100009819601 [0,2,0,0,0,0|2,0,0]=4 27154 B13R1.55 Cc1cc(nc(c1)SCCCF)N 62a_100009819863_100011934791 [0,2,0,0,0,0|2,0,0]=4 27155 B13R1.55 Cc1cc(nc(c1)SCCCF)N 62a_100011934791_100009819863 [0,2,0,0,0,0|2,0,0]=4 27156 B13R1.55 Cc1cc(nc(c1)SCCCO)C 62a_100000069240_100011215043 [0,2,0,0,0,0|2,0,0]=4 27157 B13R1.55 Cc1cc(nc(c1)SCCCO)C 62a_100011215043_100000069240 [0,2,0,0,0,0|2,0,0]=4 27158 B13R1.55 Cc1cc(nc(c1)SCCCO)F 62a_100009819601_100011215043 [0,2,0,0,0,0|2,0,0]=4 27159 B13R1.55 Cc1cc(nc(c1)SCCCO)F 62a_100011215043_100009819601 [0,2,0,0,0,0|2,0,0]=4 27160 B13R1.55 Cc1cc(nc(c1)SCCCO)N 62a_100009819863_100011215043 [0,2,0,0,0,0|2,0,0]=4 27161 B13R1.55 Cc1cc(nc(c1)SCCCO)N 62a_100011215043_100009819863 [0,2,0,0,0,0|2,0,0]=4 27162 B13R1.55 Nc1cc(nc(c1)SCCCF)O 62a_100011934791_200012179554 [0,2,0,0,0,0|2,0,0]=4 27163 B13R1.55 Nc1cc(nc(c1)SCCCO)O 62a_100011215043_200012179554 [0,2,0,0,0,0|2,0,0]=4 27164 B13R1.55 OCCNCc1cc(cc(n1)Cl)Cl 270004a_100000210304_200009876806 [0,2,0,0,0,0|2,0,0]=4 27165 B13R1.55 [13CH3]OCCCc1cc(cc(c1)F)F 34a_100011999496_200025704644 [0,2,0,0,0,0|2,0,0]=4 27166 B13R1.55 [13CH3]OCCCc1cc(cc(c1)F)F 7a_100011999496_200025704644 [0,2,0,0,0,0|2,0,0]=4 27167 B13R1.149 C=C(C)CCOc1cccc(n1)F 34a_100011432558_100000730704 [0,2,0,0,0,0|1,0,1]=4 27168 B13R1.149 C=C(C)CCSc1cc(ccn1)C 62a_100000730704_100000750283 [0,2,0,0,0,0|1,0,1]=4 27169 B13R1.149 C=C(C)CCSc1cc(ccn1)C 62a_100000750283_100000730704 [0,2,0,0,0,0|1,0,1]=4 27170 B13R1.149 C=C(C)CCSc1cc(ccn1)Cl 62a_100000730704_100010167805 [0,2,0,0,0,0|1,0,1]=4 27171 B13R1.149 C=C(C)CCSc1cc(ccn1)Cl 62a_100010167805_100000730704 [0,2,0,0,0,0|1,0,1]=4 27172 B13R1.149 C=C(C)CCSc1cc(ccn1)F 62a_100000730704_100000764206 [0,2,0,0,0,0|1,0,1]=4 27173 B13R1.149 C=C(C)CCSc1cc(ccn1)F 62a_100000764206_100000730704 [0,2,0,0,0,0|1,0,1]=4 27174 B13R1.149 C=C(C)CCSc1cc(ccn1)N 62a_100000730704_100009814236 [0,2,0,0,0,0|1,0,1]=4 27175 B13R1.149 C=C(C)CCSc1cc(ccn1)N 62a_100009814236_100000730704 [0,2,0,0,0,0|1,0,1]=4 27176 B13R1.149 C=C(C)CCSc1cc(ccn1)O 62a_100000730704_100000762945 [0,2,0,0,0,0|1,0,1]=4 27177 B13R1.149 C=C(C)CCSc1cccc(n1)Br 62a_100000684672_100000730704 [0,2,0,0,0,0|1,0,1]=4 27178 B13R1.149 C=C(C)CCSc1cccc(n1)Br 62a_100000730704_100000684672 [0,2,0,0,0,0|1,0,1]=4 27179 B13R1.149 C=C(C)CCSc1cccc(n1)C 62a_100000730704_100000742759 [0,2,0,0,0,0|1,0,1]=4 27180 B13R1.149 C=C(C)CCSc1cccc(n1)C 62a_100000742759_100000730704 [0,2,0,0,0,0|1,0,1]=4 27181 B13R1.149 C=C(C)CCSc1cccc(n1)Cl 62a_100000051397_100000730704 [0,2,0,0,0,0|1,0,1]=4 27182 B13R1.149 C=C(C)CCSc1cccc(n1)Cl 62a_100000730704_100000051397 [0,2,0,0,0,0|1,0,1]=4 27183 B13R1.149 C=C(C)CCSc1cccc(n1)F 62a_100000730704_100009815982 [0,2,0,0,0,0|1,0,1]=4 27184 B13R1.149 C=C(C)CCSc1cccc(n1)F 62a_100009815982_100000730704 [0,2,0,0,0,0|1,0,1]=4 27185 B13R1.149 C=C(C)CCSc1cccc(n1)N 62a_100000730704_100000740741 [0,2,0,0,0,0|1,0,1]=4 27186 B13R1.149 C=C(C)CCSc1cccc(n1)N 62a_100000740741_100000730704 [0,2,0,0,0,0|1,0,1]=4 27187 B13R1.149 C=C(C)CNCc1cccc(n1)Br 2230a_100016987751_100000748629 [0,2,0,0,0,0|1,0,1]=4 27188 B13R1.149 C=C(C)CNCc1cccc(n1)C 34a_100000701342_100000748629 [0,2,0,0,0,0|1,0,1]=4 27189 B13R1.149 C=C(C)CNCc1cccc(n1)Cl 2230a_100016990191_100000748629 [0,2,0,0,0,0|1,0,1]=4 27190 B13R1.149 C=C(C)CNCc1cccc(n1)F 2230a_100015188798_100000748629 [0,2,0,0,0,0|1,0,1]=4 27191 B13R1.149 C=C(C)CNCc1cccc(n1)F 34a_100015188798_100000748629 [0,2,0,0,0,0|1,0,1]=4 27192 B13R1.149 C=C(C)COCc1cc(ccn1)Br 34a_100000210245_100010173614 [0,2,0,0,0,0|1,0,1]=4 27193 B13R1.149 C=C(C)COCc1cc(ccn1)C 34a_100000210245_100000718516 [0,2,0,0,0,0|1,0,1]=4 27194 B13R1.149 C=C(C)COCc1cc(ccn1)C 34a_100011998357_100000748629 [0,2,0,0,0,0|1,0,1]=4 27195 B13R1.149 C=C(C)COCc1cc(ccn1)Cl 34a_100000210245_100016988179 [0,2,0,0,0,0|1,0,1]=4 27196 B13R1.149 C=C(C)COCc1cc(ccn1)Cl 34a_100000748867_100000748629 [0,2,0,0,0,0|1,0,1]=4 27197 B13R1.149 C=C(C)COCc1cc(ccn1)N 34a_100000692640_100000748629 [0,2,0,0,0,0|1,0,1]=4 27198 B13R1.149 C=C(C)COCc1cccc(n1)Br 34a_100000210245_100009889011 [0,2,0,0,0,0|1,0,1]=4 27199 B13R1.149 C=C(C)COCc1cccc(n1)Br 34a_100000694195_100000748629 [0,2,0,0,0,0|1,0,1]=4 27200 B13R1.149 C=C(C)COCc1cccc(n1)C 34a_100000210245_100000757606 [0,2,0,0,0,0|1,0,1]=4 27201 B13R1.149 C=C(C)COCc1cccc(n1)C 34a_100000690600_100000748629 [0,2,0,0,0,0|1,0,1]=4 27202 B13R1.149 C=C(C)COCc1cccc(n1)Cl 34a_100000210245_100000086093 [0,2,0,0,0,0|1,0,1]=4 27203 B13R1.149 C=C(C)COCc1cccc(n1)Cl 34a_100011998359_100000748629 [0,2,0,0,0,0|1,0,1]=4 27204 B13R1.149 C=C(C)COCc1cccc(n1)F 34a_100000086748_100000748629 [0,2,0,0,0,0|1,0,1]=4 27205 B13R1.149 C=C(C)COCc1cccc(n1)F 34a_100000210245_100009819644 [0,2,0,0,0,0|1,0,1]=4 27206 B13R1.149 C=C(C)CSCc1cc(ccn1)Br 62a_100000748629_100010173614 [0,2,0,0,0,0|1,0,1]=4 27207 B13R1.149 C=C(C)CSCc1cc(ccn1)Br 62a_100010173614_100000211660 [0,2,0,0,0,0|1,0,1]=4 27208 B13R1.149 C=C(C)CSCc1cc(ccn1)C 62a_100000718516_100000211660 [0,2,0,0,0,0|1,0,1]=4 27209 B13R1.149 C=C(C)CSCc1cc(ccn1)C 62a_100000748629_100000718516 [0,2,0,0,0,0|1,0,1]=4 27210 B13R1.149 C=C(C)CSCc1cc(ccn1)Cl 62a_100000748629_100016988179 [0,2,0,0,0,0|1,0,1]=4 27211 B13R1.149 C=C(C)CSCc1cc(ccn1)Cl 62a_100016988179_100000211660 [0,2,0,0,0,0|1,0,1]=4 27212 B13R1.149 C=C(C)CSCc1cccc(n1)Br 62a_100000748629_100009889011 [0,2,0,0,0,0|1,0,1]=4 27213 B13R1.149 C=C(C)CSCc1cccc(n1)Br 62a_100009889011_100000211660 [0,2,0,0,0,0|1,0,1]=4 27214 B13R1.149 C=C(C)CSCc1cccc(n1)C 62a_100000748629_100000757606 [0,2,0,0,0,0|1,0,1]=4 27215 B13R1.149 C=C(C)CSCc1cccc(n1)C 62a_100000757606_100000211660 [0,2,0,0,0,0|1,0,1]=4 27216 B13R1.149 C=C(C)CSCc1cccc(n1)Cl 62a_100000086093_100000211660 [0,2,0,0,0,0|1,0,1]=4 27217 B13R1.149 C=C(C)CSCc1cccc(n1)Cl 62a_100000748629_100000086093 [0,2,0,0,0,0|1,0,1]=4 27218 B13R1.149 C=C(C)CSCc1cccc(n1)F 62a_100000748629_100009819644 [0,2,0,0,0,0|1,0,1]=4 27219 B13R1.149 C=C(C)CSCc1cccc(n1)F 62a_100009819644_100000211660 [0,2,0,0,0,0|1,0,1]=4 27220 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,2,0,0,0,0|1,0,1]=4 27221 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,2,0,0,0,0|1,0,1]=4 27222 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,2,0,0,0,0|1,0,1]=4 27223 B13R1.149 CC(=O)CCSc1cc(ccn1)C 62a_100000053229_100000750283 [0,2,0,0,0,0|1,0,1]=4 27224 B13R1.149 CC(=O)CCSc1cc(ccn1)C 62a_100000750283_100000053229 [0,2,0,0,0,0|1,0,1]=4 27225 B13R1.149 CC(=O)CCSc1cc(ccn1)Cl 62a_100000053229_100010167805 [0,2,0,0,0,0|1,0,1]=4 27226 B13R1.149 CC(=O)CCSc1cc(ccn1)Cl 62a_100010167805_100000053229 [0,2,0,0,0,0|1,0,1]=4 27227 B13R1.149 CC(=O)CCSc1cc(ccn1)F 62a_100000053229_100000764206 [0,2,0,0,0,0|1,0,1]=4 27228 B13R1.149 CC(=O)CCSc1cc(ccn1)F 62a_100000764206_100000053229 [0,2,0,0,0,0|1,0,1]=4 27229 B13R1.149 CC(=O)CCSc1cc(ccn1)N 62a_100000053229_100009814236 [0,2,0,0,0,0|1,0,1]=4 27230 B13R1.149 CC(=O)CCSc1cc(ccn1)N 62a_100009814236_100000053229 [0,2,0,0,0,0|1,0,1]=4 27231 B13R1.149 CC(=O)CCSc1cc(ccn1)O 62a_100000053229_100000762945 [0,2,0,0,0,0|1,0,1]=4 27232 B13R1.149 CC(=O)CCSc1cccc(n1)Br 62a_100000053229_100000684672 [0,2,0,0,0,0|1,0,1]=4 27233 B13R1.149 CC(=O)CCSc1cccc(n1)Br 62a_100000684672_100000053229 [0,2,0,0,0,0|1,0,1]=4 27234 B13R1.149 CC(=O)CCSc1cccc(n1)C 62a_100000053229_100000742759 [0,2,0,0,0,0|1,0,1]=4 27235 B13R1.149 CC(=O)CCSc1cccc(n1)C 62a_100000742759_100000053229 [0,2,0,0,0,0|1,0,1]=4 27236 B13R1.149 CC(=O)CCSc1cccc(n1)Cl 62a_100000051397_100000053229 [0,2,0,0,0,0|1,0,1]=4 27237 B13R1.149 CC(=O)CCSc1cccc(n1)Cl 62a_100000053229_100000051397 [0,2,0,0,0,0|1,0,1]=4 27238 B13R1.149 CC(=O)CCSc1cccc(n1)F 62a_100000053229_100009815982 [0,2,0,0,0,0|1,0,1]=4 27239 B13R1.149 CC(=O)CCSc1cccc(n1)F 62a_100009815982_100000053229 [0,2,0,0,0,0|1,0,1]=4 27240 B13R1.149 CC(=O)CCSc1cccc(n1)N 62a_100000053229_100000740741 [0,2,0,0,0,0|1,0,1]=4 27241 B13R1.149 CC(=O)CCSc1cccc(n1)N 62a_100000740741_100000053229 [0,2,0,0,0,0|1,0,1]=4 27242 B13R1.149 CC(=O)COCc1cc(ccn1)Br 34a_100000211253_100010173614 [0,2,0,0,0,0|1,0,1]=4 27243 B13R1.149 CC(=O)COCc1cc(ccn1)C 34a_100000211253_100000718516 [0,2,0,0,0,0|1,0,1]=4 27244 B13R1.149 CC(=O)COCc1cc(ccn1)Cl 34a_100000211253_100016988179 [0,2,0,0,0,0|1,0,1]=4 27245 B13R1.149 CC(=O)COCc1cccc(n1)Br 34a_100000211253_100009889011 [0,2,0,0,0,0|1,0,1]=4 27246 B13R1.149 CC(=O)COCc1cccc(n1)C 34a_100000211253_100000757606 [0,2,0,0,0,0|1,0,1]=4 27247 B13R1.149 CC(=O)COCc1cccc(n1)Cl 34a_100000211253_100000086093 [0,2,0,0,0,0|1,0,1]=4 27248 B13R1.149 CC(=O)COCc1cccc(n1)F 34a_100000211253_100009819644 [0,2,0,0,0,0|1,0,1]=4 27249 B13R1.149 CC(=O)NCCc1cccc(n1)C 11a_100011824523_100015343762 [0,2,0,0,0,0|1,0,1]=4 27250 B13R1.149 CC(=O)NCCc1cccc(n1)C 1626a_100011824523_100015343762 [0,2,0,0,0,0|1,0,1]=4 27251 B13R1.149 CC(=O)NCCc1cccc(n1)C 240690a_100011824523_100015343762 [0,2,0,0,0,0|1,0,1]=4 27252 B13R1.149 CC(=O)NCCc1cccc(n1)C 527a_100011824523_100103153847 [0,2,0,0,0,0|1,0,1]=4 27253 B13R1.149 CC(Br)COCc1cc(ccn1)Br 34a_100012180447_100010173614 [0,2,0,0,0,0|1,0,0]=3 27254 B13R1.149 CC(Br)COCc1cc(ccn1)Cl 34a_100012180447_100016988179 [0,2,0,0,0,0|1,0,0]=3 27255 B13R1.149 CC(Br)COCc1cccc(c1)Br 34a_100012180447_100000698116 [0,2,0,0,0,0|2,0,0]=4 27256 B13R1.149 CC(Br)COCc1cccc(c1)Cl 34a_100012180447_100000187163 [0,2,0,0,0,0|2,0,0]=4 27257 B13R1.149 CC(Br)COCc1cccc(c1)F 34a_100012180447_100000187166 [0,2,0,0,0,0|2,0,0]=4 27258 B13R1.149 CC(Br)COCc1cccc(c1)I 34a_100012180447_100011218688 [0,2,0,0,0,0|2,0,0]=4 27259 B13R1.149 CC(Br)COCc1cccc(c1)O 34a_100012180447_100011660834 [0,2,0,0,0,0|2,0,0]=4 27260 B13R1.149 CC(Br)COCc1cccc(n1)Br 34a_100012180447_100009889011 [0,2,0,0,0,0|1,0,0]=3 27261 B13R1.149 CC(Br)COCc1cccc(n1)Cl 34a_100012180447_100000086093 [0,2,0,0,0,0|1,0,0]=3 27262 B13R1.149 CC(Br)COCc1cccc(n1)F 34a_100012180447_100009819644 [0,2,0,0,0,0|1,0,0]=3 27263 B13R1.149 CC(Br)COCc1ccnc(n1)Cl 34a_100012180447_100000099655 [0,2,0,0,0,0|2,0,0]=4 27264 B13R1.149 CC(C)CC=Cc1cc(ccn1)Cl 271570a_100016259101_100010167805 [0,2,0,0,0,0|0,0,2]=4 27265 B13R1.149 CC(C)CC=Cc1cc(ccn1)F 271570a_100016259101_100009817058 [0,2,0,0,0,0|0,0,2]=4 27266 B13R1.149 CC(C)CC=Cc1cc(ccn1)N 271570a_100016259101_100009814236 [0,2,0,0,0,0|0,0,2]=4 27267 B13R1.149 CC(C)CC=Cc1cc(ccn1)O 271570a_100016259101_100000762945 [0,2,0,0,0,0|0,0,2]=4 27268 B13R1.149 CC(C)CC=Cc1cccc(n1)Br 271570a_100016259101_100000684672 [0,2,0,0,0,0|0,0,2]=4 27269 B13R1.149 CC(C)CC=Cc1cccc(n1)F 271570a_100016259101_100009815982 [0,2,0,0,0,0|0,0,2]=4 27270 B13R1.149 CC(C)CC=Cc1cccc(n1)N 271570a_100016259101_100000740741 [0,2,0,0,0,0|0,0,2]=4 27271 B13R1.149 CC(C)CCNc1c[n+](ccn1)[O-] 27a_100000210545_100009880115 [0,2,0,0,0,0|2,0,0]=4 27272 B13R1.149 CC(C)CCNc1cc(ccn1)F 27a_100000210545_100000764206 [0,2,0,0,0,0|1,0,0]=3 27273 B13R1.149 CC(C)CCNc1cc(ncn1)F 27a_100000210545_200009880791 [0,2,0,0,0,0|2,0,0]=4 27274 B13R1.149 CC(C)CCNc1cc(ncn1)N 27a_100000210545_100000701291 [0,2,0,0,0,0|2,0,0]=4 27275 B13R1.149 CC(C)CCNc1cc(ncn1)O 27a_100000210545_100000765262 [0,2,0,0,0,0|2,0,0]=4 27276 B13R1.149 CC(C)CCNc1cc[nH]c(=O)n1 27a_100000210545_200000134032 [0,2,0,0,0,0|2,0,0]=4 27277 B13R1.149 CC(C)CCNc1cccc(c1)Br 34a_100000210019_100000210312 [0,2,0,0,0,0|2,0,0]=4 27278 B13R1.149 CC(C)CCNc1cccc(c1)Cl 34a_100000185859_100000210312 [0,2,0,0,0,0|2,0,0]=4 27279 B13R1.149 CC(C)CCNc1cccc(c1)F 34a_100000210047_100000210312 [0,2,0,0,0,0|2,0,0]=4 27280 B13R1.149 CC(C)CCNc1cccc(c1)I 34a_100000211102_100000210312 [0,2,0,0,0,0|2,0,0]=4 27281 B13R1.149 CC(C)CCNc1cccc(c1)O 34a_100000210217_100000210312 [0,2,0,0,0,0|2,0,0]=4 27282 B13R1.149 CC(C)CCNc1cccc(n1)F 27a_100000210545_100009815982 [0,2,0,0,0,0|1,0,0]=3 27283 B13R1.149 CC(C)CCNc1ccnc(n1)N 27a_100000210545_100000055538 [0,2,0,0,0,0|2,0,0]=4 27284 B13R1.149 CC(C)CCNc1cncc(n1)Cl 27a_100000210545_100010892449 [0,2,0,0,0,0|2,0,0]=4 27285 B13R1.149 CC(C)CCNc1cncc(n1)F 27a_100000210545_200009863489 [0,2,0,0,0,0|2,0,0]=4 27286 B13R1.149 CC(C)CCNc1nccc(n1)N 27a_100000210545_100000757536 [0,2,0,0,0,0|2,0,0]=4 27287 B13R1.149 CC(C)CCNc1nccc(n1)O 27a_100000210545_100011649813 [0,2,0,0,0,0|2,0,0]=4 27288 B13R1.149 CC(C)CCOc1cccc(=O)[nH]1 34a_100000033347_100000210312 [0,2,0,0,0,0|1,0,1]=4 27289 B13R1.149 CC(C)CCOc1cccc(c1)Br 34a_100000210342_100000210312 [0,2,0,0,0,0|2,0,0]=4 27290 B13R1.149 CC(C)CCOc1cccc(c1)Br 7a_100000210342_100000210626 [0,2,0,0,0,0|2,0,0]=4 27291 B13R1.149 CC(C)CCOc1cccc(c1)Cl 34a_100000210295_100000210312 [0,2,0,0,0,0|2,0,0]=4 27292 B13R1.149 CC(C)CCOc1cccc(c1)Cl 7a_100000210295_100000210626 [0,2,0,0,0,0|2,0,0]=4 27293 B13R1.149 CC(C)CCOc1cccc(c1)F 34a_100000210426_100000210312 [0,2,0,0,0,0|2,0,0]=4 27294 B13R1.149 CC(C)CCOc1cccc(c1)F 7a_100000210426_100000210626 [0,2,0,0,0,0|2,0,0]=4 27295 B13R1.149 CC(C)CCOc1cccc(c1)I 34a_100000211634_100000210312 [0,2,0,0,0,0|2,0,0]=4 27296 B13R1.149 CC(C)CCOc1cccc(c1)I 7a_100000211634_100000210626 [0,2,0,0,0,0|2,0,0]=4 27297 B13R1.149 CC(C)CCOc1cccc(c1)N 34a_100000210217_100000210312 [0,2,0,0,0,0|2,0,0]=4 27298 B13R1.149 CC(C)CCOc1cccc(n1)F 34a_100011432558_100000210312 [0,2,0,0,0,0|1,0,0]=3 27299 B13R1.149 CC(C)CCSc1c[n+](ccn1)[O-] 62a_100000210312_100009880115 [0,2,0,0,0,0|2,0,0]=4 27300 B13R1.149 CC(C)CCSc1cc(=O)[nH]cn1 62a_100012002517_100000210312 [0,2,0,0,0,0|2,0,0]=4 27301 B13R1.149 CC(C)CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210312 [0,2,0,0,0,0|1,0,1]=4 27302 B13R1.149 CC(C)CCSc1cc(ccn1)Cl 62a_100000210312_100010167805 [0,2,0,0,0,0|1,0,0]=3 27303 B13R1.149 CC(C)CCSc1cc(ccn1)Cl 62a_100010167805_100000210312 [0,2,0,0,0,0|1,0,0]=3 27304 B13R1.149 CC(C)CCSc1cc(ccn1)F 62a_100000210312_100000764206 [0,2,0,0,0,0|1,0,0]=3 27305 B13R1.149 CC(C)CCSc1cc(ccn1)F 62a_100000764206_100000210312 [0,2,0,0,0,0|1,0,0]=3 27306 B13R1.149 CC(C)CCSc1cc(ccn1)N 62a_100000210312_100009814236 [0,2,0,0,0,0|1,0,0]=3 27307 B13R1.149 CC(C)CCSc1cc(ccn1)N 62a_100009814236_100000210312 [0,2,0,0,0,0|1,0,0]=3 27308 B13R1.149 CC(C)CCSc1cc(ccn1)O 62a_100000210312_100000762945 [0,2,0,0,0,0|1,0,0]=3 27309 B13R1.149 CC(C)CCSc1cc(cnn1)N 62a_100000210312_100011996757 [0,2,0,0,0,0|2,0,0]=4 27310 B13R1.149 CC(C)CCSc1cc(cnn1)N 62a_100011996757_100000210312 [0,2,0,0,0,0|2,0,0]=4 27311 B13R1.149 CC(C)CCSc1cc(cnn1)O 62a_100000210312_200010734679 [0,2,0,0,0,0|2,0,0]=4 27312 B13R1.149 CC(C)CCSc1cc(ncn1)Cl 62a_100000210312_100010161198 [0,2,0,0,0,0|2,0,0]=4 27313 B13R1.149 CC(C)CCSc1cc(ncn1)Cl 62a_100010161198_100000210312 [0,2,0,0,0,0|2,0,0]=4 27314 B13R1.149 CC(C)CCSc1cc(ncn1)F 62a_100000210312_200009880791 [0,2,0,0,0,0|2,0,0]=4 27315 B13R1.149 CC(C)CCSc1cc(ncn1)F 62a_200009880791_100000210312 [0,2,0,0,0,0|2,0,0]=4 27316 B13R1.149 CC(C)CCSc1cc(ncn1)N 62a_100000210312_100000701291 [0,2,0,0,0,0|2,0,0]=4 27317 B13R1.149 CC(C)CCSc1cc(ncn1)N 62a_100000701291_100000210312 [0,2,0,0,0,0|2,0,0]=4 27318 B13R1.149 CC(C)CCSc1cc(ncn1)O 62a_100000210312_100000765262 [0,2,0,0,0,0|2,0,0]=4 27319 B13R1.149 CC(C)CCSc1cc[nH]c(=O)n1 62a_100000210312_200000134032 [0,2,0,0,0,0|2,0,0]=4 27320 B13R1.149 CC(C)CCSc1cccc(=O)[nH]1 62a_100000210312_100000752884 [0,2,0,0,0,0|1,0,1]=4 27321 B13R1.149 CC(C)CCSc1cccc(c1)Br 62a_100000210312_100000691529 [0,2,0,0,0,0|2,0,0]=4 27322 B13R1.149 CC(C)CCSc1cccc(c1)Br 62a_100000691529_100000210312 [0,2,0,0,0,0|2,0,0]=4 27323 B13R1.149 CC(C)CCSc1cccc(c1)Cl 62a_100000210312_100000699651 [0,2,0,0,0,0|2,0,0]=4 27324 B13R1.149 CC(C)CCSc1cccc(c1)Cl 62a_100000699651_100000210312 [0,2,0,0,0,0|2,0,0]=4 27325 B13R1.149 CC(C)CCSc1cccc(c1)F 62a_100000210312_100000685547 [0,2,0,0,0,0|2,0,0]=4 27326 B13R1.149 CC(C)CCSc1cccc(c1)F 62a_100000685547_100000210312 [0,2,0,0,0,0|2,0,0]=4 27327 B13R1.149 CC(C)CCSc1cccc(c1)N 62a_100000210019_100000210312 [0,2,0,0,0,0|2,0,0]=4 27328 B13R1.149 CC(C)CCSc1cccc(c1)N 62a_100000210312_100000210019 [0,2,0,0,0,0|2,0,0]=4 27329 B13R1.149 CC(C)CCSc1cccc(c1)O 62a_100000210312_100000211634 [0,2,0,0,0,0|2,0,0]=4 27330 B13R1.149 CC(C)CCSc1cccc(c1)[S] 62a_100000210312_114929384022 [0,2,0,0,0,0|2,0,0]=4 27331 B13R1.149 CC(C)CCSc1cccc(c1)[S] 62a_114929384022_100000210312 [0,2,0,0,0,0|2,0,0]=4 27332 B13R1.149 CC(C)CCSc1cccc(n1)Br 62a_100000210312_100000684672 [0,2,0,0,0,0|1,0,0]=3 27333 B13R1.149 CC(C)CCSc1cccc(n1)Br 62a_100000684672_100000210312 [0,2,0,0,0,0|1,0,0]=3 27334 B13R1.149 CC(C)CCSc1cccc(n1)Cl 62a_100000051397_100000210312 [0,2,0,0,0,0|1,0,0]=3 27335 B13R1.149 CC(C)CCSc1cccc(n1)Cl 62a_100000210312_100000051397 [0,2,0,0,0,0|1,0,0]=3 27336 B13R1.149 CC(C)CCSc1cccc(n1)F 62a_100000210312_100009815982 [0,2,0,0,0,0|1,0,0]=3 27337 B13R1.149 CC(C)CCSc1cccc(n1)F 62a_100009815982_100000210312 [0,2,0,0,0,0|1,0,0]=3 27338 B13R1.149 CC(C)CCSc1cccc(n1)N 62a_100000210312_100000740741 [0,2,0,0,0,0|1,0,0]=3 27339 B13R1.149 CC(C)CCSc1cccc(n1)N 62a_100000740741_100000210312 [0,2,0,0,0,0|1,0,0]=3 27340 B13R1.149 CC(C)CCSc1ccnc(n1)Cl 62a_100000210312_100010154678 [0,2,0,0,0,0|2,0,0]=4 27341 B13R1.149 CC(C)CCSc1ccnc(n1)Cl 62a_100010154678_100000210312 [0,2,0,0,0,0|2,0,0]=4 27342 B13R1.149 CC(C)CCSc1ccnc(n1)N 62a_100000055538_100000210312 [0,2,0,0,0,0|2,0,0]=4 27343 B13R1.149 CC(C)CCSc1ccnc(n1)N 62a_100000210312_100000055538 [0,2,0,0,0,0|2,0,0]=4 27344 B13R1.149 CC(C)CCSc1cncc(n1)Cl 62a_100000210312_100010892449 [0,2,0,0,0,0|2,0,0]=4 27345 B13R1.149 CC(C)CCSc1cncc(n1)Cl 62a_100010892449_100000210312 [0,2,0,0,0,0|2,0,0]=4 27346 B13R1.149 CC(C)CCSc1cncc(n1)F 62a_100000210312_200009863489 [0,2,0,0,0,0|2,0,0]=4 27347 B13R1.149 CC(C)CCSc1cncc(n1)F 62a_200009863489_100000210312 [0,2,0,0,0,0|2,0,0]=4 27348 B13R1.149 CC(C)CCSc1cncc(n1)N 62a_100000210312_100000747728 [0,2,0,0,0,0|2,0,0]=4 27349 B13R1.149 CC(C)CCSc1cncc(n1)N 62a_100000747728_100000210312 [0,2,0,0,0,0|2,0,0]=4 27350 B13R1.149 CC(C)CCSc1cncc(n1)O 62a_100000210312_100011269956 [0,2,0,0,0,0|2,0,0]=4 27351 B13R1.149 CC(C)CCSc1nccc(n1)N 62a_100000210312_100000757536 [0,2,0,0,0,0|2,0,0]=4 27352 B13R1.149 CC(C)CCSc1nccc(n1)N 62a_100000757536_100000210312 [0,2,0,0,0,0|2,0,0]=4 27353 B13R1.149 CC(C)CCSc1nccc(n1)O 62a_100000210312_100011649813 [0,2,0,0,0,0|2,0,0]=4 27354 B13R1.149 CC(C)CNCc1cc(ccn1)Br 2230a_100000210953_100010173614 [0,2,0,0,0,0|1,0,0]=3 27355 B13R1.149 CC(C)CNCc1cc(ccn1)Br 270004a_100000210953_100009818557 [0,2,0,0,0,0|1,0,0]=3 27356 B13R1.149 CC(C)CNCc1cc(ccn1)Br 34a_100000210953_100010173614 [0,2,0,0,0,0|1,0,0]=3 27357 B13R1.149 CC(C)CNCc1cc(ccn1)Cl 2230a_100000210953_100016988179 [0,2,0,0,0,0|1,0,0]=3 27358 B13R1.149 CC(C)CNCc1cc(ccn1)Cl 270004a_100000210953_100011998288 [0,2,0,0,0,0|1,0,0]=3 27359 B13R1.149 CC(C)CNCc1cc(ccn1)Cl 34a_100000210953_100016988179 [0,2,0,0,0,0|1,0,0]=3 27360 B13R1.149 CC(C)CNCc1cccc(=O)[nH]1 207a_100000210953_100011935257 [0,2,0,0,0,0|1,0,1]=4 27361 B13R1.149 CC(C)CNCc1cccc(=O)[nH]1 2230a_100000696482_100000210760 [0,2,0,0,0,0|1,0,1]=4 27362 B13R1.149 CC(C)CNCc1cccc(c1)Br 207a_100000210953_100000210085 [0,2,0,0,0,0|2,0,0]=4 27363 B13R1.149 CC(C)CNCc1cccc(c1)Br 2230a_100000174977_100000210760 [0,2,0,0,0,0|2,0,0]=4 27364 B13R1.149 CC(C)CNCc1cccc(c1)Br 2230a_100000210953_100000698116 [0,2,0,0,0,0|2,0,0]=4 27365 B13R1.149 CC(C)CNCc1cccc(c1)Br 26a_100000210953_100000210342 [0,2,0,0,0,0|2,0,0]=4 27366 B13R1.149 CC(C)CNCc1cccc(c1)Br 270004a_100000174977_100000210432 [0,2,0,0,0,0|2,0,0]=4 27367 B13R1.149 CC(C)CNCc1cccc(c1)Br 270004a_100000210953_100000210085 [0,2,0,0,0,0|2,0,0]=4 27368 B13R1.149 CC(C)CNCc1cccc(c1)Br 34a_100000174977_100000210624 [0,2,0,0,0,0|2,0,0]=4 27369 B13R1.149 CC(C)CNCc1cccc(c1)Br 34a_100000210953_100000698116 [0,2,0,0,0,0|2,0,0]=4 27370 B13R1.149 CC(C)CNCc1cccc(c1)Cl 207a_100000210953_100000210801 [0,2,0,0,0,0|2,0,0]=4 27371 B13R1.149 CC(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000210760 [0,2,0,0,0,0|2,0,0]=4 27372 B13R1.149 CC(C)CNCc1cccc(c1)Cl 2230a_100000210953_100000181238 [0,2,0,0,0,0|2,0,0]=4 27373 B13R1.149 CC(C)CNCc1cccc(c1)Cl 270004a_100000174878_100000210432 [0,2,0,0,0,0|2,0,0]=4 27374 B13R1.149 CC(C)CNCc1cccc(c1)Cl 270004a_100000210953_100000210801 [0,2,0,0,0,0|2,0,0]=4 27375 B13R1.149 CC(C)CNCc1cccc(c1)Cl 34a_100000174878_100000210624 [0,2,0,0,0,0|2,0,0]=4 27376 B13R1.149 CC(C)CNCc1cccc(c1)Cl 34a_100000210953_100000187163 [0,2,0,0,0,0|2,0,0]=4 27377 B13R1.149 CC(C)CNCc1cccc(c1)F 207a_100000210953_100000210812 [0,2,0,0,0,0|2,0,0]=4 27378 B13R1.149 CC(C)CNCc1cccc(c1)F 2230a_100000174948_100000210760 [0,2,0,0,0,0|2,0,0]=4 27379 B13R1.149 CC(C)CNCc1cccc(c1)F 2230a_100000210953_100000230114 [0,2,0,0,0,0|2,0,0]=4 27380 B13R1.149 CC(C)CNCc1cccc(c1)F 270004a_100000174948_100000210432 [0,2,0,0,0,0|2,0,0]=4 27381 B13R1.149 CC(C)CNCc1cccc(c1)F 270004a_100000210953_100000210812 [0,2,0,0,0,0|2,0,0]=4 27382 B13R1.149 CC(C)CNCc1cccc(c1)F 34a_100000174948_100000210624 [0,2,0,0,0,0|2,0,0]=4 27383 B13R1.149 CC(C)CNCc1cccc(c1)F 34a_100000210953_100000187166 [0,2,0,0,0,0|2,0,0]=4 27384 B13R1.149 CC(C)CNCc1cccc(c1)I 207a_100000210953_100000014684 [0,2,0,0,0,0|2,0,0]=4 27385 B13R1.149 CC(C)CNCc1cccc(c1)I 2230a_100000106179_100000210760 [0,2,0,0,0,0|2,0,0]=4 27386 B13R1.149 CC(C)CNCc1cccc(c1)I 2230a_100000210953_100011218688 [0,2,0,0,0,0|2,0,0]=4 27387 B13R1.149 CC(C)CNCc1cccc(c1)I 270004a_100000106179_100000210432 [0,2,0,0,0,0|2,0,0]=4 27388 B13R1.149 CC(C)CNCc1cccc(c1)I 270004a_100000210953_100000014684 [0,2,0,0,0,0|2,0,0]=4 27389 B13R1.149 CC(C)CNCc1cccc(c1)I 34a_100000106179_100000210624 [0,2,0,0,0,0|2,0,0]=4 27390 B13R1.149 CC(C)CNCc1cccc(c1)I 34a_100000210953_100011218688 [0,2,0,0,0,0|2,0,0]=4 27391 B13R1.149 CC(C)CNCc1cccc(c1)O 207a_100000210953_100000188321 [0,2,0,0,0,0|2,0,0]=4 27392 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000210953_100011660834 [0,2,0,0,0,0|2,0,0]=4 27393 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000743036_100000210760 [0,2,0,0,0,0|2,0,0]=4 27394 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000210953_100000188321 [0,2,0,0,0,0|2,0,0]=4 27395 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000743036_100000210432 [0,2,0,0,0,0|2,0,0]=4 27396 B13R1.149 CC(C)CNCc1cccc(c1)O 271570a_203496583355_100015187148 [0,2,0,0,0,0|2,0,0]=4 27397 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000210953_100011660834 [0,2,0,0,0,0|2,0,0]=4 27398 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000743036_100000210624 [0,2,0,0,0,0|2,0,0]=4 27399 B13R1.149 CC(C)CNCc1cccc(n1)Br 2230a_100000210953_100009889011 [0,2,0,0,0,0|1,0,0]=3 27400 B13R1.149 CC(C)CNCc1cccc(n1)Br 2230a_100016987751_100000210760 [0,2,0,0,0,0|1,0,0]=3 27401 B13R1.149 CC(C)CNCc1cccc(n1)Br 270004a_100000210953_100000688028 [0,2,0,0,0,0|1,0,0]=3 27402 B13R1.149 CC(C)CNCc1cccc(n1)Br 34a_100000210953_100009889011 [0,2,0,0,0,0|1,0,0]=3 27403 B13R1.149 CC(C)CNCc1cccc(n1)Cl 2230a_100000210953_100000086093 [0,2,0,0,0,0|1,0,0]=3 27404 B13R1.149 CC(C)CNCc1cccc(n1)Cl 2230a_100016990191_100000210760 [0,2,0,0,0,0|1,0,0]=3 27405 B13R1.149 CC(C)CNCc1cccc(n1)Cl 270004a_100000210953_100011361687 [0,2,0,0,0,0|1,0,0]=3 27406 B13R1.149 CC(C)CNCc1cccc(n1)Cl 34a_100000210953_100000086093 [0,2,0,0,0,0|1,0,0]=3 27407 B13R1.149 CC(C)CNCc1cccc(n1)F 2230a_100000210953_100009819644 [0,2,0,0,0,0|1,0,0]=3 27408 B13R1.149 CC(C)CNCc1cccc(n1)F 2230a_100015188798_100000210760 [0,2,0,0,0,0|1,0,0]=3 27409 B13R1.149 CC(C)CNCc1cccc(n1)F 270004a_100000210953_100000050434 [0,2,0,0,0,0|1,0,0]=3 27410 B13R1.149 CC(C)CNCc1cccc(n1)F 34a_100000210953_100009819644 [0,2,0,0,0,0|1,0,0]=3 27411 B13R1.149 CC(C)CNCc1cccc(n1)F 34a_100015188798_100000210624 [0,2,0,0,0,0|1,0,0]=3 27412 B13R1.149 CC(C)CNCc1ccnc(n1)Cl 2230a_100000210953_100000099655 [0,2,0,0,0,0|2,0,0]=4 27413 B13R1.149 CC(C)CNCc1ccnc(n1)Cl 34a_100000210953_100000099655 [0,2,0,0,0,0|2,0,0]=4 27414 B13R1.149 CC(C)COCc1cc(ccn1)Br 34a_100000210257_100010173614 [0,2,0,0,0,0|1,0,0]=3 27415 B13R1.149 CC(C)COCc1cc(ccn1)Cl 34a_100000210257_100016988179 [0,2,0,0,0,0|1,0,0]=3 27416 B13R1.149 CC(C)COCc1cc(ccn1)Cl 34a_100000748867_100000210624 [0,2,0,0,0,0|1,0,0]=3 27417 B13R1.149 CC(C)COCc1cc(ccn1)N 34a_100000692640_100000210624 [0,2,0,0,0,0|1,0,0]=3 27418 B13R1.149 CC(C)COCc1cccc(c1)Br 34a_100000210257_100000698116 [0,2,0,0,0,0|2,0,0]=4 27419 B13R1.149 CC(C)COCc1cccc(c1)Br 34a_100000687537_100000210624 [0,2,0,0,0,0|2,0,0]=4 27420 B13R1.149 CC(C)COCc1cccc(c1)Br 7a_100000687537_100000210760 [0,2,0,0,0,0|2,0,0]=4 27421 B13R1.149 CC(C)COCc1cccc(c1)Cl 34a_100000210257_100000187163 [0,2,0,0,0,0|2,0,0]=4 27422 B13R1.149 CC(C)COCc1cccc(c1)Cl 34a_100000241301_100000210624 [0,2,0,0,0,0|2,0,0]=4 27423 B13R1.149 CC(C)COCc1cccc(c1)Cl 7a_100000241301_100000210760 [0,2,0,0,0,0|2,0,0]=4 27424 B13R1.149 CC(C)COCc1cccc(c1)F 34a_100000210257_100000187166 [0,2,0,0,0,0|2,0,0]=4 27425 B13R1.149 CC(C)COCc1cccc(c1)F 34a_100000210976_100000210624 [0,2,0,0,0,0|2,0,0]=4 27426 B13R1.149 CC(C)COCc1cccc(c1)F 7a_100000210976_100000210760 [0,2,0,0,0,0|2,0,0]=4 27427 B13R1.149 CC(C)COCc1cccc(c1)I 34a_100000210257_100011218688 [0,2,0,0,0,0|2,0,0]=4 27428 B13R1.149 CC(C)COCc1cccc(c1)I 34a_100011215336_100000210624 [0,2,0,0,0,0|2,0,0]=4 27429 B13R1.149 CC(C)COCc1cccc(c1)I 7a_100011215336_100000210760 [0,2,0,0,0,0|2,0,0]=4 27430 B13R1.149 CC(C)COCc1cccc(c1)N 34a_100000211919_100000210624 [0,2,0,0,0,0|2,0,0]=4 27431 B13R1.149 CC(C)COCc1cccc(c1)O 34a_100000210257_100011660834 [0,2,0,0,0,0|2,0,0]=4 27432 B13R1.149 CC(C)COCc1cccc(n1)Br 34a_100000210257_100009889011 [0,2,0,0,0,0|1,0,0]=3 27433 B13R1.149 CC(C)COCc1cccc(n1)Br 34a_100000694195_100000210624 [0,2,0,0,0,0|1,0,0]=3 27434 B13R1.149 CC(C)COCc1cccc(n1)Cl 34a_100000210257_100000086093 [0,2,0,0,0,0|1,0,0]=3 27435 B13R1.149 CC(C)COCc1cccc(n1)Cl 34a_100011998359_100000210624 [0,2,0,0,0,0|1,0,0]=3 27436 B13R1.149 CC(C)COCc1cccc(n1)F 34a_100000086748_100000210624 [0,2,0,0,0,0|1,0,0]=3 27437 B13R1.149 CC(C)COCc1cccc(n1)F 34a_100000210257_100009819644 [0,2,0,0,0,0|1,0,0]=3 27438 B13R1.149 CC(C)COCc1ccnc(n1)Cl 34a_100000210257_100000099655 [0,2,0,0,0,0|2,0,0]=4 27439 B13R1.149 CC(C)CSCc1cc(ccn1)Br 62a_100000210624_100010173614 [0,2,0,0,0,0|1,0,0]=3 27440 B13R1.149 CC(C)CSCc1cc(ccn1)Br 62a_100010173614_100000210760 [0,2,0,0,0,0|1,0,0]=3 27441 B13R1.149 CC(C)CSCc1cc(ccn1)Cl 62a_100000210624_100016988179 [0,2,0,0,0,0|1,0,0]=3 27442 B13R1.149 CC(C)CSCc1cc(ccn1)Cl 62a_100016988179_100000210760 [0,2,0,0,0,0|1,0,0]=3 27443 B13R1.149 CC(C)CSCc1cccc(c1)Br 62a_100000210624_100000211773 [0,2,0,0,0,0|2,0,0]=4 27444 B13R1.149 CC(C)CSCc1cccc(c1)Br 62a_100000211773_100000210760 [0,2,0,0,0,0|2,0,0]=4 27445 B13R1.149 CC(C)CSCc1cccc(c1)Cl 62a_100000187163_100000210760 [0,2,0,0,0,0|2,0,0]=4 27446 B13R1.149 CC(C)CSCc1cccc(c1)Cl 62a_100000210624_100000187163 [0,2,0,0,0,0|2,0,0]=4 27447 B13R1.149 CC(C)CSCc1cccc(c1)F 62a_100000210624_100000230114 [0,2,0,0,0,0|2,0,0]=4 27448 B13R1.149 CC(C)CSCc1cccc(c1)F 62a_100000230114_100000210760 [0,2,0,0,0,0|2,0,0]=4 27449 B13R1.149 CC(C)CSCc1cccc(c1)I 62a_100000210624_100011218688 [0,2,0,0,0,0|2,0,0]=4 27450 B13R1.149 CC(C)CSCc1cccc(c1)I 62a_100011218688_100000210760 [0,2,0,0,0,0|2,0,0]=4 27451 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100000210624_100011660834 [0,2,0,0,0,0|2,0,0]=4 27452 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100011660834_100000210760 [0,2,0,0,0,0|2,0,0]=4 27453 B13R1.149 CC(C)CSCc1cccc(n1)Br 62a_100000210624_100009889011 [0,2,0,0,0,0|1,0,0]=3 27454 B13R1.149 CC(C)CSCc1cccc(n1)Br 62a_100009889011_100000210760 [0,2,0,0,0,0|1,0,0]=3 27455 B13R1.149 CC(C)CSCc1cccc(n1)Cl 62a_100000086093_100000210760 [0,2,0,0,0,0|1,0,0]=3 27456 B13R1.149 CC(C)CSCc1cccc(n1)Cl 62a_100000210624_100000086093 [0,2,0,0,0,0|1,0,0]=3 27457 B13R1.149 CC(C)CSCc1cccc(n1)F 62a_100000210624_100009819644 [0,2,0,0,0,0|1,0,0]=3 27458 B13R1.149 CC(C)CSCc1cccc(n1)F 62a_100009819644_100000210760 [0,2,0,0,0,0|1,0,0]=3 27459 B13R1.149 CC(C)CSCc1ccnc(n1)Cl 62a_100000099655_100000210760 [0,2,0,0,0,0|2,0,0]=4 27460 B13R1.149 CC(C)CSCc1ccnc(n1)Cl 62a_100000210624_100000099655 [0,2,0,0,0,0|2,0,0]=4 27461 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000210206 [0,2,0,0,0,0|2,0,0]=4 27462 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100138425928_100011740638 [0,2,0,0,0,0|2,0,0]=4 27463 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100011207229_100000210206 [0,2,0,0,0,0|2,0,0]=4 27464 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100138425928_100011740638 [0,2,0,0,0,0|2,0,0]=4 27465 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000210206 [0,2,0,0,0,0|2,0,0]=4 27466 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100138425928_100011713710 [0,2,0,0,0,0|2,0,0]=4 27467 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100000185263_100000210206 [0,2,0,0,0,0|2,0,0]=4 27468 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100138425928_100011713710 [0,2,0,0,0,0|2,0,0]=4 27469 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100000205154_100000210206 [0,2,0,0,0,0|2,0,0]=4 27470 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100138425928_100011217235 [0,2,0,0,0,0|2,0,0]=4 27471 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100000205154_100000210206 [0,2,0,0,0,0|2,0,0]=4 27472 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100138425928_100011217235 [0,2,0,0,0,0|2,0,0]=4 27473 B13R1.149 CC(C)NCCc1cccc(c1)O 2230a_100000747277_100000210206 [0,2,0,0,0,0|2,0,0]=4 27474 B13R1.149 CC(C)NCCc1cccc(c1)O 34a_100000747277_100000210206 [0,2,0,0,0,0|2,0,0]=4 27475 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100000212225_100011740638 [0,2,0,0,0,0|2,0,0]=4 27476 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100011217444_100000210206 [0,2,0,0,0,0|2,0,0]=4 27477 B13R1.149 CC(C)OCCc1cccc(c1)Br 7a_100011217444_100000210206 [0,2,0,0,0,0|2,0,0]=4 27478 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000212225_100011713710 [0,2,0,0,0,0|2,0,0]=4 27479 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000754733_100000210206 [0,2,0,0,0,0|2,0,0]=4 27480 B13R1.149 CC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000210206 [0,2,0,0,0,0|2,0,0]=4 27481 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000212225_100011217235 [0,2,0,0,0,0|2,0,0]=4 27482 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000763591_100000210206 [0,2,0,0,0,0|2,0,0]=4 27483 B13R1.149 CC(C)OCCc1cccc(c1)F 7a_100000763591_100000210206 [0,2,0,0,0,0|2,0,0]=4 27484 B13R1.149 CC(C)OCCc1cccc(c1)N 34a_100011996697_100000210206 [0,2,0,0,0,0|2,0,0]=4 27485 B13R1.149 CC(C)OCCc1cccc(n1)Br 34a_100010221043_100000210206 [0,2,0,0,0,0|1,0,0]=3 27486 B13R1.149 CC(C)OCCc1cccc(n1)Br 7a_100010221043_100000210206 [0,2,0,0,0,0|1,0,0]=3 27487 B13R1.149 CC(C)OCOc1cccc(n1)F 34a_100011432558_100000709892 [0,2,0,0,0,0|2,0,0]=4 27488 B13R1.149 CC(C)OCSc1cc(ccn1)Cl 62a_100000709892_100010167805 [0,2,0,0,0,0|2,0,0]=4 27489 B13R1.149 CC(C)OCSc1cc(ccn1)Cl 62a_100010167805_100000709892 [0,2,0,0,0,0|2,0,0]=4 27490 B13R1.149 CC(C)OCSc1cc(ccn1)F 62a_100000709892_100000764206 [0,2,0,0,0,0|2,0,0]=4 27491 B13R1.149 CC(C)OCSc1cc(ccn1)F 62a_100000764206_100000709892 [0,2,0,0,0,0|2,0,0]=4 27492 B13R1.149 CC(C)OCSc1cc(ccn1)N 62a_100000709892_100009814236 [0,2,0,0,0,0|2,0,0]=4 27493 B13R1.149 CC(C)OCSc1cc(ccn1)N 62a_100009814236_100000709892 [0,2,0,0,0,0|2,0,0]=4 27494 B13R1.149 CC(C)OCSc1cc(ccn1)O 62a_100000709892_100000762945 [0,2,0,0,0,0|2,0,0]=4 27495 B13R1.149 CC(C)OCSc1cccc(n1)Br 62a_100000684672_100000709892 [0,2,0,0,0,0|2,0,0]=4 27496 B13R1.149 CC(C)OCSc1cccc(n1)Br 62a_100000709892_100000684672 [0,2,0,0,0,0|2,0,0]=4 27497 B13R1.149 CC(C)OCSc1cccc(n1)Cl 62a_100000051397_100000709892 [0,2,0,0,0,0|2,0,0]=4 27498 B13R1.149 CC(C)OCSc1cccc(n1)Cl 62a_100000709892_100000051397 [0,2,0,0,0,0|2,0,0]=4 27499 B13R1.149 CC(C)OCSc1cccc(n1)F 62a_100000709892_100009815982 [0,2,0,0,0,0|2,0,0]=4 27500 B13R1.149 CC(C)OCSc1cccc(n1)F 62a_100009815982_100000709892 [0,2,0,0,0,0|2,0,0]=4 27501 B13R1.149 CC(C)OCSc1cccc(n1)N 62a_100000709892_100000740741 [0,2,0,0,0,0|2,0,0]=4 27502 B13R1.149 CC(C)OCSc1cccc(n1)N 62a_100000740741_100000709892 [0,2,0,0,0,0|2,0,0]=4 27503 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100000210206_100011740638 [0,2,0,0,0,0|2,0,0]=4 27504 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100011740638_100000210206 [0,2,0,0,0,0|2,0,0]=4 27505 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100000210206_100011713710 [0,2,0,0,0,0|2,0,0]=4 27506 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000210206 [0,2,0,0,0,0|2,0,0]=4 27507 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100000210206_100011217235 [0,2,0,0,0,0|2,0,0]=4 27508 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100011217235_100000210206 [0,2,0,0,0,0|2,0,0]=4 27509 B13R1.149 CC(F)COCc1cc(ccn1)Br 34a_100015925927_100010173614 [0,2,0,0,0,0|1,0,0]=3 27510 B13R1.149 CC(F)COCc1cc(ccn1)Cl 34a_100015925927_100016988179 [0,2,0,0,0,0|1,0,0]=3 27511 B13R1.149 CC(F)COCc1cccc(c1)Br 34a_100015925927_100000698116 [0,2,0,0,0,0|2,0,0]=4 27512 B13R1.149 CC(F)COCc1cccc(c1)Cl 34a_100015925927_100000187163 [0,2,0,0,0,0|2,0,0]=4 27513 B13R1.149 CC(F)COCc1cccc(c1)F 34a_100015925927_100000187166 [0,2,0,0,0,0|2,0,0]=4 27514 B13R1.149 CC(F)COCc1cccc(c1)I 34a_100015925927_100011218688 [0,2,0,0,0,0|2,0,0]=4 27515 B13R1.149 CC(F)COCc1cccc(c1)O 34a_100015925927_100011660834 [0,2,0,0,0,0|2,0,0]=4 27516 B13R1.149 CC(F)COCc1cccc(n1)Br 34a_100015925927_100009889011 [0,2,0,0,0,0|1,0,0]=3 27517 B13R1.149 CC(F)COCc1cccc(n1)Cl 34a_100015925927_100000086093 [0,2,0,0,0,0|1,0,0]=3 27518 B13R1.149 CC(F)COCc1cccc(n1)F 34a_100015925927_100009819644 [0,2,0,0,0,0|1,0,0]=3 27519 B13R1.149 CC(F)COCc1ccnc(n1)Cl 34a_100015925927_100000099655 [0,2,0,0,0,0|2,0,0]=4 27520 B13R1.149 CC(O)CCNc1c[n+](ccn1)[O-] 27a_200000755665_100009880115 [0,2,0,0,0,0|2,0,0]=4 27521 B13R1.149 CC(O)CCNc1cc(ccn1)F 27a_200000755665_100000764206 [0,2,0,0,0,0|1,0,0]=3 27522 B13R1.149 CC(O)CCNc1cc(ncn1)F 27a_200000755665_200009880791 [0,2,0,0,0,0|2,0,0]=4 27523 B13R1.149 CC(O)CCNc1cc(ncn1)N 27a_200000755665_100000701291 [0,2,0,0,0,0|2,0,0]=4 27524 B13R1.149 CC(O)CCNc1cc(ncn1)O 27a_200000755665_100000765262 [0,2,0,0,0,0|2,0,0]=4 27525 B13R1.149 CC(O)CCNc1cc[nH]c(=O)n1 27a_200000755665_200000134032 [0,2,0,0,0,0|2,0,0]=4 27526 B13R1.149 CC(O)CCNc1cccc(c1)Br 34a_100000210019_100012276601 [0,2,0,0,0,0|2,0,0]=4 27527 B13R1.149 CC(O)CCNc1cccc(c1)Cl 34a_100000185859_100012276601 [0,2,0,0,0,0|2,0,0]=4 27528 B13R1.149 CC(O)CCNc1cccc(c1)F 34a_100000210047_100012276601 [0,2,0,0,0,0|2,0,0]=4 27529 B13R1.149 CC(O)CCNc1cccc(c1)I 34a_100000211102_100012276601 [0,2,0,0,0,0|2,0,0]=4 27530 B13R1.149 CC(O)CCNc1cccc(c1)O 34a_100000210217_100012276601 [0,2,0,0,0,0|2,0,0]=4 27531 B13R1.149 CC(O)CCNc1cccc(n1)F 27a_200000755665_100009815982 [0,2,0,0,0,0|1,0,0]=3 27532 B13R1.149 CC(O)CCNc1ccnc(n1)N 27a_200000755665_100000055538 [0,2,0,0,0,0|2,0,0]=4 27533 B13R1.149 CC(O)CCNc1cncc(n1)Cl 27a_200000755665_100010892449 [0,2,0,0,0,0|2,0,0]=4 27534 B13R1.149 CC(O)CCNc1cncc(n1)F 27a_200000755665_200009863489 [0,2,0,0,0,0|2,0,0]=4 27535 B13R1.149 CC(O)CCNc1nccc(n1)N 27a_200000755665_100000757536 [0,2,0,0,0,0|2,0,0]=4 27536 B13R1.149 CC(O)CCNc1nccc(n1)O 27a_200000755665_100011649813 [0,2,0,0,0,0|2,0,0]=4 27537 B13R1.149 CC(O)CCOc1cccc(=O)[nH]1 34a_100000033347_100012276601 [0,2,0,0,0,0|1,0,1]=4 27538 B13R1.149 CC(O)CCOc1cccc(c1)Br 34a_100000210342_100012276601 [0,2,0,0,0,0|2,0,0]=4 27539 B13R1.149 CC(O)CCOc1cccc(c1)Br 7a_100000210342_100012276601 [0,2,0,0,0,0|2,0,0]=4 27540 B13R1.149 CC(O)CCOc1cccc(c1)Cl 34a_100000210295_100012276601 [0,2,0,0,0,0|2,0,0]=4 27541 B13R1.149 CC(O)CCOc1cccc(c1)Cl 7a_100000210295_100012276601 [0,2,0,0,0,0|2,0,0]=4 27542 B13R1.149 CC(O)CCOc1cccc(c1)F 34a_100000210426_100012276601 [0,2,0,0,0,0|2,0,0]=4 27543 B13R1.149 CC(O)CCOc1cccc(c1)F 7a_100000210426_100012276601 [0,2,0,0,0,0|2,0,0]=4 27544 B13R1.149 CC(O)CCOc1cccc(c1)I 34a_100000211634_100012276601 [0,2,0,0,0,0|2,0,0]=4 27545 B13R1.149 CC(O)CCOc1cccc(c1)I 7a_100000211634_100012276601 [0,2,0,0,0,0|2,0,0]=4 27546 B13R1.149 CC(O)CCOc1cccc(c1)N 34a_100000210217_100012276601 [0,2,0,0,0,0|2,0,0]=4 27547 B13R1.149 CC(O)CCOc1cccc(n1)F 34a_100011432558_100012276601 [0,2,0,0,0,0|1,0,0]=3 27548 B13R1.149 CC(O)CCSc1c[n+](ccn1)[O-] 62a_100012276601_100009880115 [0,2,0,0,0,0|2,0,0]=4 27549 B13R1.149 CC(O)CCSc1cc(=O)[nH]cn1 62a_100012002517_100012276601 [0,2,0,0,0,0|2,0,0]=4 27550 B13R1.149 CC(O)CCSc1cc(=O)cc[nH]1 62a_100009817434_100012276601 [0,2,0,0,0,0|1,0,1]=4 27551 B13R1.149 CC(O)CCSc1cc(ccn1)Cl 62a_100010167805_100012276601 [0,2,0,0,0,0|1,0,0]=3 27552 B13R1.149 CC(O)CCSc1cc(ccn1)Cl 62a_100012276601_100010167805 [0,2,0,0,0,0|1,0,0]=3 27553 B13R1.149 CC(O)CCSc1cc(ccn1)F 62a_100000764206_100012276601 [0,2,0,0,0,0|1,0,0]=3 27554 B13R1.149 CC(O)CCSc1cc(ccn1)F 62a_100012276601_100000764206 [0,2,0,0,0,0|1,0,0]=3 27555 B13R1.149 CC(O)CCSc1cc(ccn1)N 62a_100009814236_100012276601 [0,2,0,0,0,0|1,0,0]=3 27556 B13R1.149 CC(O)CCSc1cc(ccn1)N 62a_100012276601_100009814236 [0,2,0,0,0,0|1,0,0]=3 27557 B13R1.149 CC(O)CCSc1cc(ccn1)O 62a_100012276601_100000762945 [0,2,0,0,0,0|1,0,0]=3 27558 B13R1.149 CC(O)CCSc1cc(cnn1)N 62a_100011996757_100012276601 [0,2,0,0,0,0|2,0,0]=4 27559 B13R1.149 CC(O)CCSc1cc(cnn1)N 62a_100012276601_100011996757 [0,2,0,0,0,0|2,0,0]=4 27560 B13R1.149 CC(O)CCSc1cc(cnn1)O 62a_100012276601_200010734679 [0,2,0,0,0,0|2,0,0]=4 27561 B13R1.149 CC(O)CCSc1cc(ncn1)Cl 62a_100010161198_100012276601 [0,2,0,0,0,0|2,0,0]=4 27562 B13R1.149 CC(O)CCSc1cc(ncn1)Cl 62a_100012276601_100010161198 [0,2,0,0,0,0|2,0,0]=4 27563 B13R1.149 CC(O)CCSc1cc(ncn1)F 62a_100012276601_200009880791 [0,2,0,0,0,0|2,0,0]=4 27564 B13R1.149 CC(O)CCSc1cc(ncn1)F 62a_200009880791_100012276601 [0,2,0,0,0,0|2,0,0]=4 27565 B13R1.149 CC(O)CCSc1cc(ncn1)N 62a_100000701291_100012276601 [0,2,0,0,0,0|2,0,0]=4 27566 B13R1.149 CC(O)CCSc1cc(ncn1)N 62a_100012276601_100000701291 [0,2,0,0,0,0|2,0,0]=4 27567 B13R1.149 CC(O)CCSc1cc(ncn1)O 62a_100012276601_100000765262 [0,2,0,0,0,0|2,0,0]=4 27568 B13R1.149 CC(O)CCSc1cc[nH]c(=O)n1 62a_100012276601_200000134032 [0,2,0,0,0,0|2,0,0]=4 27569 B13R1.149 CC(O)CCSc1cccc(=O)[nH]1 62a_100012276601_100000752884 [0,2,0,0,0,0|1,0,1]=4 27570 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100000691529_100012276601 [0,2,0,0,0,0|2,0,0]=4 27571 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100012276601_100000691529 [0,2,0,0,0,0|2,0,0]=4 27572 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100000699651_100012276601 [0,2,0,0,0,0|2,0,0]=4 27573 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100012276601_100000699651 [0,2,0,0,0,0|2,0,0]=4 27574 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100000685547_100012276601 [0,2,0,0,0,0|2,0,0]=4 27575 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100012276601_100000685547 [0,2,0,0,0,0|2,0,0]=4 27576 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100000210019_100012276601 [0,2,0,0,0,0|2,0,0]=4 27577 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100012276601_100000210019 [0,2,0,0,0,0|2,0,0]=4 27578 B13R1.149 CC(O)CCSc1cccc(c1)O 62a_100012276601_100000211634 [0,2,0,0,0,0|2,0,0]=4 27579 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_100012276601_114929384022 [0,2,0,0,0,0|2,0,0]=4 27580 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_114929384022_100012276601 [0,2,0,0,0,0|2,0,0]=4 27581 B13R1.149 CC(O)CCSc1cccc(n1)Br 62a_100000684672_100012276601 [0,2,0,0,0,0|1,0,0]=3 27582 B13R1.149 CC(O)CCSc1cccc(n1)Br 62a_100012276601_100000684672 [0,2,0,0,0,0|1,0,0]=3 27583 B13R1.149 CC(O)CCSc1cccc(n1)Cl 62a_100000051397_100012276601 [0,2,0,0,0,0|1,0,0]=3 27584 B13R1.149 CC(O)CCSc1cccc(n1)Cl 62a_100012276601_100000051397 [0,2,0,0,0,0|1,0,0]=3 27585 B13R1.149 CC(O)CCSc1cccc(n1)F 62a_100009815982_100012276601 [0,2,0,0,0,0|1,0,0]=3 27586 B13R1.149 CC(O)CCSc1cccc(n1)F 62a_100012276601_100009815982 [0,2,0,0,0,0|1,0,0]=3 27587 B13R1.149 CC(O)CCSc1cccc(n1)N 62a_100000740741_100012276601 [0,2,0,0,0,0|1,0,0]=3 27588 B13R1.149 CC(O)CCSc1cccc(n1)N 62a_100012276601_100000740741 [0,2,0,0,0,0|1,0,0]=3 27589 B13R1.149 CC(O)CCSc1ccnc(n1)Cl 62a_100010154678_100012276601 [0,2,0,0,0,0|2,0,0]=4 27590 B13R1.149 CC(O)CCSc1ccnc(n1)Cl 62a_100012276601_100010154678 [0,2,0,0,0,0|2,0,0]=4 27591 B13R1.149 CC(O)CCSc1ccnc(n1)N 62a_100000055538_100012276601 [0,2,0,0,0,0|2,0,0]=4 27592 B13R1.149 CC(O)CCSc1ccnc(n1)N 62a_100012276601_100000055538 [0,2,0,0,0,0|2,0,0]=4 27593 B13R1.149 CC(O)CCSc1cncc(n1)Cl 62a_100010892449_100012276601 [0,2,0,0,0,0|2,0,0]=4 27594 B13R1.149 CC(O)CCSc1cncc(n1)Cl 62a_100012276601_100010892449 [0,2,0,0,0,0|2,0,0]=4 27595 B13R1.149 CC(O)CCSc1cncc(n1)F 62a_100012276601_200009863489 [0,2,0,0,0,0|2,0,0]=4 27596 B13R1.149 CC(O)CCSc1cncc(n1)F 62a_200009863489_100012276601 [0,2,0,0,0,0|2,0,0]=4 27597 B13R1.149 CC(O)CCSc1cncc(n1)N 62a_100000747728_100012276601 [0,2,0,0,0,0|2,0,0]=4 27598 B13R1.149 CC(O)CCSc1cncc(n1)N 62a_100012276601_100000747728 [0,2,0,0,0,0|2,0,0]=4 27599 B13R1.149 CC(O)CCSc1cncc(n1)O 62a_100012276601_100011269956 [0,2,0,0,0,0|2,0,0]=4 27600 B13R1.149 CC(O)CCSc1nccc(n1)N 62a_100000757536_100012276601 [0,2,0,0,0,0|2,0,0]=4 27601 B13R1.149 CC(O)CCSc1nccc(n1)N 62a_100012276601_100000757536 [0,2,0,0,0,0|2,0,0]=4 27602 B13R1.149 CC(O)CCSc1nccc(n1)O 62a_100012276601_100011649813 [0,2,0,0,0,0|2,0,0]=4 27603 B13R1.149 CC(O)CNCc1cc(ccn1)Br 2230a_100000210904_100010173614 [0,2,0,0,0,0|1,0,0]=3 27604 B13R1.149 CC(O)CNCc1cc(ccn1)Br 270004a_100000210904_100009818557 [0,2,0,0,0,0|1,0,0]=3 27605 B13R1.149 CC(O)CNCc1cc(ccn1)Br 34a_100000210904_100010173614 [0,2,0,0,0,0|1,0,0]=3 27606 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 2230a_100000210904_100016988179 [0,2,0,0,0,0|1,0,0]=3 27607 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 270004a_100000210904_100011998288 [0,2,0,0,0,0|1,0,0]=3 27608 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 34a_100000210904_100016988179 [0,2,0,0,0,0|1,0,0]=3 27609 B13R1.149 CC(O)CNCc1cccc(=O)[nH]1 207a_100000210904_100011935257 [0,2,0,0,0,0|1,0,1]=4 27610 B13R1.149 CC(O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100011218427 [0,2,0,0,0,0|1,0,1]=4 27611 B13R1.149 CC(O)CNCc1cccc(c1)Br 207a_100000210904_100000210085 [0,2,0,0,0,0|2,0,0]=4 27612 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000174977_100011218427 [0,2,0,0,0,0|2,0,0]=4 27613 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000210904_100000698116 [0,2,0,0,0,0|2,0,0]=4 27614 B13R1.149 CC(O)CNCc1cccc(c1)Br 270004a_100000210904_100000210085 [0,2,0,0,0,0|2,0,0]=4 27615 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000174977_100011218427 [0,2,0,0,0,0|2,0,0]=4 27616 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000210904_100000698116 [0,2,0,0,0,0|2,0,0]=4 27617 B13R1.149 CC(O)CNCc1cccc(c1)Cl 207a_100000210904_100000210801 [0,2,0,0,0,0|2,0,0]=4 27618 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000174878_100011218427 [0,2,0,0,0,0|2,0,0]=4 27619 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000210904_100000181238 [0,2,0,0,0,0|2,0,0]=4 27620 B13R1.149 CC(O)CNCc1cccc(c1)Cl 270004a_100000210904_100000210801 [0,2,0,0,0,0|2,0,0]=4 27621 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000174878_100011218427 [0,2,0,0,0,0|2,0,0]=4 27622 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,2,0,0,0,0|2,0,0]=4 27623 B13R1.149 CC(O)CNCc1cccc(c1)F 207a_100000210904_100000210812 [0,2,0,0,0,0|2,0,0]=4 27624 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000174948_100011218427 [0,2,0,0,0,0|2,0,0]=4 27625 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000210904_100000230114 [0,2,0,0,0,0|2,0,0]=4 27626 B13R1.149 CC(O)CNCc1cccc(c1)F 270004a_100000210904_100000210812 [0,2,0,0,0,0|2,0,0]=4 27627 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000174948_100011218427 [0,2,0,0,0,0|2,0,0]=4 27628 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000210904_100000187166 [0,2,0,0,0,0|2,0,0]=4 27629 B13R1.149 CC(O)CNCc1cccc(c1)I 207a_100000210904_100000014684 [0,2,0,0,0,0|2,0,0]=4 27630 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000106179_100011218427 [0,2,0,0,0,0|2,0,0]=4 27631 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000210904_100011218688 [0,2,0,0,0,0|2,0,0]=4 27632 B13R1.149 CC(O)CNCc1cccc(c1)I 270004a_100000210904_100000014684 [0,2,0,0,0,0|2,0,0]=4 27633 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000106179_100011218427 [0,2,0,0,0,0|2,0,0]=4 27634 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000210904_100011218688 [0,2,0,0,0,0|2,0,0]=4 27635 B13R1.149 CC(O)CNCc1cccc(c1)O 207a_100000210904_100000188321 [0,2,0,0,0,0|2,0,0]=4 27636 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000210904_100011660834 [0,2,0,0,0,0|2,0,0]=4 27637 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000743036_100011218427 [0,2,0,0,0,0|2,0,0]=4 27638 B13R1.149 CC(O)CNCc1cccc(c1)O 270004a_100000210904_100000188321 [0,2,0,0,0,0|2,0,0]=4 27639 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000210904_100011660834 [0,2,0,0,0,0|2,0,0]=4 27640 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000743036_100011218427 [0,2,0,0,0,0|2,0,0]=4 27641 B13R1.149 CC(O)CNCc1cccc(n1)Br 2230a_100000210904_100009889011 [0,2,0,0,0,0|1,0,0]=3 27642 B13R1.149 CC(O)CNCc1cccc(n1)Br 2230a_100016987751_100011218427 [0,2,0,0,0,0|1,0,0]=3 27643 B13R1.149 CC(O)CNCc1cccc(n1)Br 270004a_100000210904_100000688028 [0,2,0,0,0,0|1,0,0]=3 27644 B13R1.149 CC(O)CNCc1cccc(n1)Br 34a_100000210904_100009889011 [0,2,0,0,0,0|1,0,0]=3 27645 B13R1.149 CC(O)CNCc1cccc(n1)Cl 2230a_100000210904_100000086093 [0,2,0,0,0,0|1,0,0]=3 27646 B13R1.149 CC(O)CNCc1cccc(n1)Cl 2230a_100016990191_100011218427 [0,2,0,0,0,0|1,0,0]=3 27647 B13R1.149 CC(O)CNCc1cccc(n1)Cl 270004a_100000210904_100011361687 [0,2,0,0,0,0|1,0,0]=3 27648 B13R1.149 CC(O)CNCc1cccc(n1)Cl 34a_100000210904_100000086093 [0,2,0,0,0,0|1,0,0]=3 27649 B13R1.149 CC(O)CNCc1cccc(n1)F 2230a_100000210904_100009819644 [0,2,0,0,0,0|1,0,0]=3 27650 B13R1.149 CC(O)CNCc1cccc(n1)F 2230a_100015188798_100011218427 [0,2,0,0,0,0|1,0,0]=3 27651 B13R1.149 CC(O)CNCc1cccc(n1)F 270004a_100000210904_100000050434 [0,2,0,0,0,0|1,0,0]=3 27652 B13R1.149 CC(O)CNCc1cccc(n1)F 34a_100000210904_100009819644 [0,2,0,0,0,0|1,0,0]=3 27653 B13R1.149 CC(O)CNCc1cccc(n1)F 34a_100015188798_100011218427 [0,2,0,0,0,0|1,0,0]=3 27654 B13R1.149 CC(O)CNCc1ccnc(n1)Cl 2230a_100000210904_100000099655 [0,2,0,0,0,0|2,0,0]=4 27655 B13R1.149 CC(O)CNCc1ccnc(n1)Cl 34a_100000210904_100000099655 [0,2,0,0,0,0|2,0,0]=4 27656 B13R1.149 CC(O)COCc1cc(ccn1)Cl 34a_100000748867_100011218427 [0,2,0,0,0,0|1,0,0]=3 27657 B13R1.149 CC(O)COCc1cc(ccn1)N 34a_100000692640_100011218427 [0,2,0,0,0,0|1,0,0]=3 27658 B13R1.149 CC(O)COCc1cccc(c1)Br 34a_100000687537_100011218427 [0,2,0,0,0,0|2,0,0]=4 27659 B13R1.149 CC(O)COCc1cccc(c1)Br 7a_100000687537_100011218427 [0,2,0,0,0,0|2,0,0]=4 27660 B13R1.149 CC(O)COCc1cccc(c1)Cl 34a_100000241301_100011218427 [0,2,0,0,0,0|2,0,0]=4 27661 B13R1.149 CC(O)COCc1cccc(c1)Cl 7a_100000241301_100011218427 [0,2,0,0,0,0|2,0,0]=4 27662 B13R1.149 CC(O)COCc1cccc(c1)F 34a_100000210976_100011218427 [0,2,0,0,0,0|2,0,0]=4 27663 B13R1.149 CC(O)COCc1cccc(c1)F 7a_100000210976_100011218427 [0,2,0,0,0,0|2,0,0]=4 27664 B13R1.149 CC(O)COCc1cccc(c1)I 34a_100011215336_100011218427 [0,2,0,0,0,0|2,0,0]=4 27665 B13R1.149 CC(O)COCc1cccc(c1)I 7a_100011215336_100011218427 [0,2,0,0,0,0|2,0,0]=4 27666 B13R1.149 CC(O)COCc1cccc(c1)N 34a_100000211919_100011218427 [0,2,0,0,0,0|2,0,0]=4 27667 B13R1.149 CC(O)COCc1cccc(n1)Br 34a_100000694195_100011218427 [0,2,0,0,0,0|1,0,0]=3 27668 B13R1.149 CC(O)COCc1cccc(n1)Cl 34a_100011998359_100011218427 [0,2,0,0,0,0|1,0,0]=3 27669 B13R1.149 CC(O)COCc1cccc(n1)F 34a_100000086748_100011218427 [0,2,0,0,0,0|1,0,0]=3 27670 B13R1.149 CC(O)CSCc1cc(ccn1)Br 62a_100010173614_100011218427 [0,2,0,0,0,0|1,0,0]=3 27671 B13R1.149 CC(O)CSCc1cc(ccn1)Br 62a_100011218427_100010173614 [0,2,0,0,0,0|1,0,0]=3 27672 B13R1.149 CC(O)CSCc1cc(ccn1)Cl 62a_100011218427_100016988179 [0,2,0,0,0,0|1,0,0]=3 27673 B13R1.149 CC(O)CSCc1cc(ccn1)Cl 62a_100016988179_100011218427 [0,2,0,0,0,0|1,0,0]=3 27674 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100000211773_100011218427 [0,2,0,0,0,0|2,0,0]=4 27675 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100011218427_100000211773 [0,2,0,0,0,0|2,0,0]=4 27676 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100000187163_100011218427 [0,2,0,0,0,0|2,0,0]=4 27677 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100011218427_100000187163 [0,2,0,0,0,0|2,0,0]=4 27678 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100000230114_100011218427 [0,2,0,0,0,0|2,0,0]=4 27679 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100011218427_100000230114 [0,2,0,0,0,0|2,0,0]=4 27680 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218427_100011218688 [0,2,0,0,0,0|2,0,0]=4 27681 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218688_100011218427 [0,2,0,0,0,0|2,0,0]=4 27682 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011218427_100011660834 [0,2,0,0,0,0|2,0,0]=4 27683 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011660834_100011218427 [0,2,0,0,0,0|2,0,0]=4 27684 B13R1.149 CC(O)CSCc1cccc(n1)Br 62a_100009889011_100011218427 [0,2,0,0,0,0|1,0,0]=3 27685 B13R1.149 CC(O)CSCc1cccc(n1)Br 62a_100011218427_100009889011 [0,2,0,0,0,0|1,0,0]=3 27686 B13R1.149 CC(O)CSCc1cccc(n1)Cl 62a_100000086093_100011218427 [0,2,0,0,0,0|1,0,0]=3 27687 B13R1.149 CC(O)CSCc1cccc(n1)Cl 62a_100011218427_100000086093 [0,2,0,0,0,0|1,0,0]=3 27688 B13R1.149 CC(O)CSCc1cccc(n1)F 62a_100009819644_100011218427 [0,2,0,0,0,0|1,0,0]=3 27689 B13R1.149 CC(O)CSCc1cccc(n1)F 62a_100011218427_100009819644 [0,2,0,0,0,0|1,0,0]=3 27690 B13R1.149 CC(O)CSCc1ccnc(n1)Cl 62a_100000099655_100011218427 [0,2,0,0,0,0|2,0,0]=4 27691 B13R1.149 CC(O)CSCc1ccnc(n1)Cl 62a_100011218427_100000099655 [0,2,0,0,0,0|2,0,0]=4 27692 B13R1.149 CN(C)CCCc1cccc(c1)Br 2230a_100102631434_100011713683 [0,2,0,0,0,0|2,0,0]=4 27693 B13R1.149 CN(C)CCCc1cccc(c1)Br 269982a_100102631434_100011713683 [0,2,0,0,0,0|2,0,0]=4 27694 B13R1.149 CN(C)CCCc1cccc(c1)F 2230a_100102631434_200000698031 [0,2,0,0,0,0|2,0,0]=4 27695 B13R1.149 CN(C)CCCc1cccc(c1)F 269982a_100102631434_200000698031 [0,2,0,0,0,0|2,0,0]=4 27696 B13R1.149 CN(C)CCNc1cc(ccn1)F 27a_100000210585_100000764206 [0,2,0,0,0,0|2,0,0]=4 27697 B13R1.149 CN(C)CCNc1cccc(n1)F 27a_100000210585_100009815982 [0,2,0,0,0,0|2,0,0]=4 27698 B13R1.149 CN(C)CCSc1cc(ccn1)Cl 62a_100010167805_100000755713 [0,2,0,0,0,0|2,0,0]=4 27699 B13R1.149 CN(C)CCSc1cc(ccn1)F 62a_100000764206_100000755713 [0,2,0,0,0,0|2,0,0]=4 27700 B13R1.149 CN(C)CCSc1cc(ccn1)N 62a_100009814236_100000755713 [0,2,0,0,0,0|2,0,0]=4 27701 B13R1.149 CN(C)CCSc1cccc(n1)Br 62a_100000684672_100000755713 [0,2,0,0,0,0|2,0,0]=4 27702 B13R1.149 CN(C)CCSc1cccc(n1)Cl 62a_100000051397_100000755713 [0,2,0,0,0,0|2,0,0]=4 27703 B13R1.149 CN(C)CCSc1cccc(n1)F 62a_100009815982_100000755713 [0,2,0,0,0,0|2,0,0]=4 27704 B13R1.149 CN(C)CCSc1cccc(n1)N 62a_100000740741_100000755713 [0,2,0,0,0,0|2,0,0]=4 27705 B13R1.149 C[C@@H](Cl)COCc1cc(ccn1)Br 34a_100016084084_100010173614 [0,2,0,0,0,0|1,0,0]=3 27706 B13R1.149 C[C@@H](Cl)COCc1cc(ccn1)Cl 34a_100016084084_100016988179 [0,2,0,0,0,0|1,0,0]=3 27707 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)Br 34a_100016084084_100000698116 [0,2,0,0,0,0|2,0,0]=4 27708 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)Cl 34a_100016084084_100000187163 [0,2,0,0,0,0|2,0,0]=4 27709 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)F 34a_100016084084_100000187166 [0,2,0,0,0,0|2,0,0]=4 27710 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)I 34a_100016084084_100011218688 [0,2,0,0,0,0|2,0,0]=4 27711 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)O 34a_100016084084_100011660834 [0,2,0,0,0,0|2,0,0]=4 27712 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)Br 34a_100016084084_100009889011 [0,2,0,0,0,0|1,0,0]=3 27713 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)Cl 34a_100016084084_100000086093 [0,2,0,0,0,0|1,0,0]=3 27714 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)F 34a_100016084084_100009819644 [0,2,0,0,0,0|1,0,0]=3 27715 B13R1.149 C[C@@H](Cl)COCc1ccnc(n1)Cl 34a_100016084084_100000099655 [0,2,0,0,0,0|2,0,0]=4 27716 B13R1.149 C[C@@H](N)COCc1cc(ccn1)Br 34a_100000737577_100010173614 [0,2,0,0,0,0|1,0,0]=3 27717 B13R1.149 C[C@@H](N)COCc1cc(ccn1)Cl 34a_100000737577_100016988179 [0,2,0,0,0,0|1,0,0]=3 27718 B13R1.149 C[C@@H](N)COCc1cccc(c1)Br 34a_100000737577_100000698116 [0,2,0,0,0,0|2,0,0]=4 27719 B13R1.149 C[C@@H](N)COCc1cccc(c1)Cl 34a_100000737577_100000187163 [0,2,0,0,0,0|2,0,0]=4 27720 B13R1.149 C[C@@H](N)COCc1cccc(c1)F 34a_100000737577_100000187166 [0,2,0,0,0,0|2,0,0]=4 27721 B13R1.149 C[C@@H](N)COCc1cccc(c1)I 34a_100000737577_100011218688 [0,2,0,0,0,0|2,0,0]=4 27722 B13R1.149 C[C@@H](N)COCc1cccc(c1)O 34a_100000737577_100011660834 [0,2,0,0,0,0|2,0,0]=4 27723 B13R1.149 C[C@@H](N)COCc1cccc(n1)Br 34a_100000737577_100009889011 [0,2,0,0,0,0|1,0,0]=3 27724 B13R1.149 C[C@@H](N)COCc1cccc(n1)Cl 34a_100000737577_100000086093 [0,2,0,0,0,0|1,0,0]=3 27725 B13R1.149 C[C@@H](N)COCc1cccc(n1)F 34a_100000737577_100009819644 [0,2,0,0,0,0|1,0,0]=3 27726 B13R1.149 C[C@@H](N)COCc1ccnc(n1)Cl 34a_100000737577_100000099655 [0,2,0,0,0,0|2,0,0]=4 27727 B13R1.149 C[C@@H](O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100009817552 [0,2,0,0,0,0|1,0,1]=4 27728 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 2230a_100000174977_100009817552 [0,2,0,0,0,0|2,0,0]=4 27729 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 34a_100000174977_100009817552 [0,2,0,0,0,0|2,0,0]=4 27730 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 2230a_100000174878_100009817552 [0,2,0,0,0,0|2,0,0]=4 27731 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 34a_100000174878_100009817552 [0,2,0,0,0,0|2,0,0]=4 27732 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 2230a_100000174948_100009817552 [0,2,0,0,0,0|2,0,0]=4 27733 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 34a_100000174948_100009817552 [0,2,0,0,0,0|2,0,0]=4 27734 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 2230a_100000106179_100009817552 [0,2,0,0,0,0|2,0,0]=4 27735 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 34a_100000106179_100009817552 [0,2,0,0,0,0|2,0,0]=4 27736 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 2230a_100000743036_100009817552 [0,2,0,0,0,0|2,0,0]=4 27737 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 34a_100000743036_100009817552 [0,2,0,0,0,0|2,0,0]=4 27738 B13R1.149 C[C@@H](O)CNCc1cccc(n1)Br 2230a_100016987751_100009817552 [0,2,0,0,0,0|1,0,0]=3 27739 B13R1.149 C[C@@H](O)CNCc1cccc(n1)Cl 2230a_100016990191_100009817552 [0,2,0,0,0,0|1,0,0]=3 27740 B13R1.149 C[C@@H](O)CNCc1cccc(n1)F 2230a_100015188798_100009817552 [0,2,0,0,0,0|1,0,0]=3 27741 B13R1.149 C[C@@H](O)CNCc1cccc(n1)F 34a_100015188798_100009817552 [0,2,0,0,0,0|1,0,0]=3 27742 B13R1.149 C[C@@H](O)COCc1cc(ccn1)Cl 34a_100000748867_100009817552 [0,2,0,0,0,0|1,0,0]=3 27743 B13R1.149 C[C@@H](O)COCc1cc(ccn1)N 34a_100000692640_100009817552 [0,2,0,0,0,0|1,0,0]=3 27744 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 34a_100000687537_100009817552 [0,2,0,0,0,0|2,0,0]=4 27745 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 7a_100000687537_100009817552 [0,2,0,0,0,0|2,0,0]=4 27746 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 34a_100000241301_100009817552 [0,2,0,0,0,0|2,0,0]=4 27747 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 7a_100000241301_100009817552 [0,2,0,0,0,0|2,0,0]=4 27748 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 34a_100000210976_100009817552 [0,2,0,0,0,0|2,0,0]=4 27749 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 7a_100000210976_100009817552 [0,2,0,0,0,0|2,0,0]=4 27750 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 34a_100011215336_100009817552 [0,2,0,0,0,0|2,0,0]=4 27751 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 7a_100011215336_100009817552 [0,2,0,0,0,0|2,0,0]=4 27752 B13R1.149 C[C@@H](O)COCc1cccc(c1)N 34a_100000211919_100009817552 [0,2,0,0,0,0|2,0,0]=4 27753 B13R1.149 C[C@@H](O)COCc1cccc(n1)Br 34a_100000694195_100009817552 [0,2,0,0,0,0|1,0,0]=3 27754 B13R1.149 C[C@@H](O)COCc1cccc(n1)Cl 34a_100011998359_100009817552 [0,2,0,0,0,0|1,0,0]=3 27755 B13R1.149 C[C@@H](O)COCc1cccc(n1)F 34a_100000086748_100009817552 [0,2,0,0,0,0|1,0,0]=3 27756 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Br 62a_100009817552_100010173614 [0,2,0,0,0,0|1,0,0]=3 27757 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Br 62a_100010173614_100009817552 [0,2,0,0,0,0|1,0,0]=3 27758 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Cl 62a_100009817552_100016988179 [0,2,0,0,0,0|1,0,0]=3 27759 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Cl 62a_100016988179_100009817552 [0,2,0,0,0,0|1,0,0]=3 27760 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100000211773_100009817552 [0,2,0,0,0,0|2,0,0]=4 27761 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100009817552_100000211773 [0,2,0,0,0,0|2,0,0]=4 27762 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100000187163_100009817552 [0,2,0,0,0,0|2,0,0]=4 27763 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100009817552_100000187163 [0,2,0,0,0,0|2,0,0]=4 27764 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100000230114_100009817552 [0,2,0,0,0,0|2,0,0]=4 27765 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100009817552_100000230114 [0,2,0,0,0,0|2,0,0]=4 27766 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100009817552_100011218688 [0,2,0,0,0,0|2,0,0]=4 27767 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100011218688_100009817552 [0,2,0,0,0,0|2,0,0]=4 27768 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100009817552_100011660834 [0,2,0,0,0,0|2,0,0]=4 27769 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100011660834_100009817552 [0,2,0,0,0,0|2,0,0]=4 27770 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Br 62a_100009817552_100009889011 [0,2,0,0,0,0|1,0,0]=3 27771 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Br 62a_100009889011_100009817552 [0,2,0,0,0,0|1,0,0]=3 27772 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Cl 62a_100000086093_100009817552 [0,2,0,0,0,0|1,0,0]=3 27773 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Cl 62a_100009817552_100000086093 [0,2,0,0,0,0|1,0,0]=3 27774 B13R1.149 C[C@@H](O)CSCc1cccc(n1)F 62a_100009817552_100009819644 [0,2,0,0,0,0|1,0,0]=3 27775 B13R1.149 C[C@@H](O)CSCc1cccc(n1)F 62a_100009819644_100009817552 [0,2,0,0,0,0|1,0,0]=3 27776 B13R1.149 C[C@@H](O)CSCc1ccnc(n1)Cl 62a_100000099655_100009817552 [0,2,0,0,0,0|2,0,0]=4 27777 B13R1.149 C[C@@H](O)CSCc1ccnc(n1)Cl 62a_100009817552_100000099655 [0,2,0,0,0,0|2,0,0]=4 27778 B13R1.149 Cc1cc(ncn1)NCCC(C)C 27a_100000210545_100000744208 [0,2,0,0,0,0|2,0,0]=4 27779 B13R1.149 Cc1cc(ncn1)NCCC(C)O 27a_200000755665_100000744208 [0,2,0,0,0,0|2,0,0]=4 27780 B13R1.149 Cc1cc(ncn1)SCCC(C)C 62a_100000210312_100000744208 [0,2,0,0,0,0|2,0,0]=4 27781 B13R1.149 Cc1cc(ncn1)SCCC(C)C 62a_100000744208_100000210312 [0,2,0,0,0,0|2,0,0]=4 27782 B13R1.149 Cc1cc(ncn1)SCCC(C)O 62a_100000744208_100012276601 [0,2,0,0,0,0|2,0,0]=4 27783 B13R1.149 Cc1cc(ncn1)SCCC(C)O 62a_100012276601_100000744208 [0,2,0,0,0,0|2,0,0]=4 27784 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100000749837_100000210206 [0,2,0,0,0,0|2,0,0]=4 27785 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100138425928_100011713685 [0,2,0,0,0,0|2,0,0]=4 27786 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100000749837_100000210206 [0,2,0,0,0,0|2,0,0]=4 27787 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100138425928_100011713685 [0,2,0,0,0,0|2,0,0]=4 27788 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100000212225_100011713685 [0,2,0,0,0,0|2,0,0]=4 27789 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100011217157_100000210206 [0,2,0,0,0,0|2,0,0]=4 27790 B13R1.149 Cc1cccc(c1)CCOC(C)C 7a_100011217157_100000210206 [0,2,0,0,0,0|2,0,0]=4 27791 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100000210206_100011713685 [0,2,0,0,0,0|2,0,0]=4 27792 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100011713685_100000210206 [0,2,0,0,0,0|2,0,0]=4 27793 B13R1.149 Cc1cccc(c1)CNCC(C)C 207a_100000210953_100000211157 [0,2,0,0,0,0|2,0,0]=4 27794 B13R1.149 Cc1cccc(c1)CNCC(C)C 2230a_100000185548_100000210760 [0,2,0,0,0,0|2,0,0]=4 27795 B13R1.149 Cc1cccc(c1)CNCC(C)C 2230a_100000210953_100000211840 [0,2,0,0,0,0|2,0,0]=4 27796 B13R1.149 Cc1cccc(c1)CNCC(C)C 270004a_100000185548_100000210432 [0,2,0,0,0,0|2,0,0]=4 27797 B13R1.149 Cc1cccc(c1)CNCC(C)C 270004a_100000210953_100000211157 [0,2,0,0,0,0|2,0,0]=4 27798 B13R1.149 Cc1cccc(c1)CNCC(C)C 34a_100000185548_100000210624 [0,2,0,0,0,0|2,0,0]=4 27799 B13R1.149 Cc1cccc(c1)CNCC(C)C 34a_100000210953_100000211840 [0,2,0,0,0,0|2,0,0]=4 27800 B13R1.149 Cc1cccc(c1)CNCC(C)O 207a_100000210904_100000211157 [0,2,0,0,0,0|2,0,0]=4 27801 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000185548_100011218427 [0,2,0,0,0,0|2,0,0]=4 27802 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000210904_100000211840 [0,2,0,0,0,0|2,0,0]=4 27803 B13R1.149 Cc1cccc(c1)CNCC(C)O 270004a_100000210904_100000211157 [0,2,0,0,0,0|2,0,0]=4 27804 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000185548_100011218427 [0,2,0,0,0,0|2,0,0]=4 27805 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000210904_100000211840 [0,2,0,0,0,0|2,0,0]=4 27806 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 2230a_100000185548_100009817552 [0,2,0,0,0,0|2,0,0]=4 27807 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 34a_100000185548_100009817552 [0,2,0,0,0,0|2,0,0]=4 27808 B13R1.149 Cc1cccc(c1)COCC(C)Br 34a_100012180447_100000211840 [0,2,0,0,0,0|2,0,0]=4 27809 B13R1.149 Cc1cccc(c1)COCC(C)C 34a_100000210257_100000211840 [0,2,0,0,0,0|2,0,0]=4 27810 B13R1.149 Cc1cccc(c1)COCC(C)C 34a_100011217746_100000210624 [0,2,0,0,0,0|2,0,0]=4 27811 B13R1.149 Cc1cccc(c1)COCC(C)C 7a_100011217746_100000210760 [0,2,0,0,0,0|2,0,0]=4 27812 B13R1.149 Cc1cccc(c1)COCC(C)F 34a_100015925927_100000211840 [0,2,0,0,0,0|2,0,0]=4 27813 B13R1.149 Cc1cccc(c1)COCC(C)O 34a_100011217746_100011218427 [0,2,0,0,0,0|2,0,0]=4 27814 B13R1.149 Cc1cccc(c1)COCC(C)O 7a_100011217746_100011218427 [0,2,0,0,0,0|2,0,0]=4 27815 B13R1.149 Cc1cccc(c1)COC[C@@H](C)Cl 34a_100016084084_100000211840 [0,2,0,0,0,0|2,0,0]=4 27816 B13R1.149 Cc1cccc(c1)COC[C@@H](C)N 34a_100000737577_100000211840 [0,2,0,0,0,0|2,0,0]=4 27817 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 34a_100011217746_100009817552 [0,2,0,0,0,0|2,0,0]=4 27818 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 7a_100011217746_100009817552 [0,2,0,0,0,0|2,0,0]=4 27819 B13R1.149 Cc1cccc(c1)CSCC(C)C 62a_100000210624_100000211840 [0,2,0,0,0,0|2,0,0]=4 27820 B13R1.149 Cc1cccc(c1)CSCC(C)C 62a_100000211840_100000210760 [0,2,0,0,0,0|2,0,0]=4 27821 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100000211840_100011218427 [0,2,0,0,0,0|2,0,0]=4 27822 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100011218427_100000211840 [0,2,0,0,0,0|2,0,0]=4 27823 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100000211840_100009817552 [0,2,0,0,0,0|2,0,0]=4 27824 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100009817552_100000211840 [0,2,0,0,0,0|2,0,0]=4 27825 B13R1.149 Cc1cccc(c1)NCCC(C)C 2230a_100000188690_100000210312 [0,2,0,0,0,0|2,0,0]=4 27826 B13R1.149 Cc1cccc(c1)NCCC(C)C 34a_100000188690_100000210312 [0,2,0,0,0,0|2,0,0]=4 27827 B13R1.149 Cc1cccc(c1)NCCC(C)O 2230a_100000188690_100012276601 [0,2,0,0,0,0|2,0,0]=4 27828 B13R1.149 Cc1cccc(c1)NCCC(C)O 34a_100000188690_100012276601 [0,2,0,0,0,0|2,0,0]=4 27829 B13R1.149 Cc1cccc(c1)OCCC(C)C 34a_100000210337_100000210312 [0,2,0,0,0,0|2,0,0]=4 27830 B13R1.149 Cc1cccc(c1)OCCC(C)C 7a_100000210337_100000210626 [0,2,0,0,0,0|2,0,0]=4 27831 B13R1.149 Cc1cccc(c1)OCCC(C)O 34a_100000210337_100012276601 [0,2,0,0,0,0|2,0,0]=4 27832 B13R1.149 Cc1cccc(c1)OCCC(C)O 7a_100000210337_100012276601 [0,2,0,0,0,0|2,0,0]=4 27833 B13R1.149 Cc1cccc(c1)SCCC(C)C 62a_100000210312_100011215228 [0,2,0,0,0,0|2,0,0]=4 27834 B13R1.149 Cc1cccc(c1)SCCC(C)C 62a_100011215228_100000210312 [0,2,0,0,0,0|2,0,0]=4 27835 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100011215228_100012276601 [0,2,0,0,0,0|2,0,0]=4 27836 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100012276601_100011215228 [0,2,0,0,0,0|2,0,0]=4 27837 B13R1.149 Cc1cccc(n1)C=CCC(C)C 271570a_100016259101_100000742759 [0,2,0,0,0,0|0,0,2]=4 27838 B13R1.149 Cc1cccc(n1)CCNC(C)C 2230a_100011824523_100000210206 [0,2,0,0,0,0|1,0,0]=3 27839 B13R1.149 Cc1cccc(n1)CCNC(C)C 34a_100011824523_100000210206 [0,2,0,0,0,0|1,0,0]=3 27840 B13R1.149 Cc1cccc(n1)CNCC(C)C 207a_100000210953_100011215050 [0,2,0,0,0,0|1,0,0]=3 27841 B13R1.149 Cc1cccc(n1)CNCC(C)C 2230a_100000210953_100000757606 [0,2,0,0,0,0|1,0,0]=3 27842 B13R1.149 Cc1cccc(n1)CNCC(C)C 270004a_100000210953_100011215050 [0,2,0,0,0,0|1,0,0]=3 27843 B13R1.149 Cc1cccc(n1)CNCC(C)C 34a_100000210953_100000757606 [0,2,0,0,0,0|1,0,0]=3 27844 B13R1.149 Cc1cccc(n1)CNCC(C)C 34a_100000701342_100000210624 [0,2,0,0,0,0|1,0,0]=3 27845 B13R1.149 Cc1cccc(n1)CNCC(C)O 207a_100000210904_100011215050 [0,2,0,0,0,0|1,0,0]=3 27846 B13R1.149 Cc1cccc(n1)CNCC(C)O 2230a_100000210904_100000757606 [0,2,0,0,0,0|1,0,0]=3 27847 B13R1.149 Cc1cccc(n1)CNCC(C)O 270004a_100000210904_100011215050 [0,2,0,0,0,0|1,0,0]=3 27848 B13R1.149 Cc1cccc(n1)CNCC(C)O 34a_100000210904_100000757606 [0,2,0,0,0,0|1,0,0]=3 27849 B13R1.149 Cc1cccc(n1)CNCC(C)O 34a_100000701342_100011218427 [0,2,0,0,0,0|1,0,0]=3 27850 B13R1.149 Cc1cccc(n1)CNCC(F)F 207a_100000765723_100011215050 [0,2,0,0,0,0|2,0,0]=4 27851 B13R1.149 Cc1cccc(n1)CNCC(F)F 270004a_100000765723_100011215050 [0,2,0,0,0,0|2,0,0]=4 27852 B13R1.149 Cc1cccc(n1)CNCC(F)F 34a_100000701342_100011934356 [0,2,0,0,0,0|2,0,0]=4 27853 B13R1.149 Cc1cccc(n1)CNCC(F)F 34a_100000765723_100000757606 [0,2,0,0,0,0|2,0,0]=4 27854 B13R1.149 Cc1cccc(n1)CNC[C@@H](C)O 34a_100000701342_100009817552 [0,2,0,0,0,0|1,0,0]=3 27855 B13R1.149 Cc1cccc(n1)COCC(C)Br 34a_100012180447_100000757606 [0,2,0,0,0,0|1,0,0]=3 27856 B13R1.149 Cc1cccc(n1)COCC(C)C 34a_100000210257_100000757606 [0,2,0,0,0,0|1,0,0]=3 27857 B13R1.149 Cc1cccc(n1)COCC(C)C 34a_100000690600_100000210624 [0,2,0,0,0,0|1,0,0]=3 27858 B13R1.149 Cc1cccc(n1)COCC(C)F 34a_100015925927_100000757606 [0,2,0,0,0,0|1,0,0]=3 27859 B13R1.149 Cc1cccc(n1)COCC(C)O 34a_100000690600_100011218427 [0,2,0,0,0,0|1,0,0]=3 27860 B13R1.149 Cc1cccc(n1)COCC(F)F 34a_100000690600_100011934356 [0,2,0,0,0,0|2,0,0]=4 27861 B13R1.149 Cc1cccc(n1)COCC(F)F 34a_100000743014_100000757606 [0,2,0,0,0,0|2,0,0]=4 27862 B13R1.149 Cc1cccc(n1)COC[C@@H](C)Cl 34a_100016084084_100000757606 [0,2,0,0,0,0|1,0,0]=3 27863 B13R1.149 Cc1cccc(n1)COC[C@@H](C)N 34a_100000737577_100000757606 [0,2,0,0,0,0|1,0,0]=3 27864 B13R1.149 Cc1cccc(n1)COC[C@@H](C)O 34a_100000690600_100009817552 [0,2,0,0,0,0|1,0,0]=3 27865 B13R1.149 Cc1cccc(n1)CSCC(C)C 62a_100000210624_100000757606 [0,2,0,0,0,0|1,0,0]=3 27866 B13R1.149 Cc1cccc(n1)CSCC(C)C 62a_100000757606_100000210760 [0,2,0,0,0,0|1,0,0]=3 27867 B13R1.149 Cc1cccc(n1)CSCC(C)O 62a_100000757606_100011218427 [0,2,0,0,0,0|1,0,0]=3 27868 B13R1.149 Cc1cccc(n1)CSCC(C)O 62a_100011218427_100000757606 [0,2,0,0,0,0|1,0,0]=3 27869 B13R1.149 Cc1cccc(n1)CSCC(F)F 62a_100000757606_100011934356 [0,2,0,0,0,0|2,0,0]=4 27870 B13R1.149 Cc1cccc(n1)CSCC(F)F 62a_100011934356_100000757606 [0,2,0,0,0,0|2,0,0]=4 27871 B13R1.149 Cc1cccc(n1)CSC[C@@H](C)O 62a_100000757606_100009817552 [0,2,0,0,0,0|1,0,0]=3 27872 B13R1.149 Cc1cccc(n1)CSC[C@@H](C)O 62a_100009817552_100000757606 [0,2,0,0,0,0|1,0,0]=3 27873 B13R1.149 Cc1cccc(n1)SCCC(C)C 62a_100000210312_100000742759 [0,2,0,0,0,0|1,0,0]=3 27874 B13R1.149 Cc1cccc(n1)SCCC(C)C 62a_100000742759_100000210312 [0,2,0,0,0,0|1,0,0]=3 27875 B13R1.149 Cc1cccc(n1)SCCC(C)O 62a_100000742759_100012276601 [0,2,0,0,0,0|1,0,0]=3 27876 B13R1.149 Cc1cccc(n1)SCCC(C)O 62a_100012276601_100000742759 [0,2,0,0,0,0|1,0,0]=3 27877 B13R1.149 Cc1cccc(n1)SCCN(C)C 62a_100000742759_100000755713 [0,2,0,0,0,0|2,0,0]=4 27878 B13R1.149 Cc1cccc(n1)SCOC(C)C 62a_100000709892_100000742759 [0,2,0,0,0,0|2,0,0]=4 27879 B13R1.149 Cc1cccc(n1)SCOC(C)C 62a_100000742759_100000709892 [0,2,0,0,0,0|2,0,0]=4 27880 B13R1.149 Cc1ccnc(c1)C=CCC(C)C 271570a_100016259101_100000750283 [0,2,0,0,0,0|0,0,2]=4 27881 B13R1.149 Cc1ccnc(c1)CNCC(C)C 207a_100000210953_100011361488 [0,2,0,0,0,0|1,0,0]=3 27882 B13R1.149 Cc1ccnc(c1)CNCC(C)C 2230a_100000210953_100000718516 [0,2,0,0,0,0|1,0,0]=3 27883 B13R1.149 Cc1ccnc(c1)CNCC(C)C 270004a_100000210953_100011361488 [0,2,0,0,0,0|1,0,0]=3 27884 B13R1.149 Cc1ccnc(c1)CNCC(C)C 34a_100000210953_100000718516 [0,2,0,0,0,0|1,0,0]=3 27885 B13R1.149 Cc1ccnc(c1)CNCC(C)O 207a_100000210904_100011361488 [0,2,0,0,0,0|1,0,0]=3 27886 B13R1.149 Cc1ccnc(c1)CNCC(C)O 2230a_100000210904_100000718516 [0,2,0,0,0,0|1,0,0]=3 27887 B13R1.149 Cc1ccnc(c1)CNCC(C)O 270004a_100000210904_100011361488 [0,2,0,0,0,0|1,0,0]=3 27888 B13R1.149 Cc1ccnc(c1)CNCC(C)O 34a_100000210904_100000718516 [0,2,0,0,0,0|1,0,0]=3 27889 B13R1.149 Cc1ccnc(c1)CNCC(F)F 207a_100000765723_100011361488 [0,2,0,0,0,0|2,0,0]=4 27890 B13R1.149 Cc1ccnc(c1)CNCC(F)F 270004a_100000765723_100011361488 [0,2,0,0,0,0|2,0,0]=4 27891 B13R1.149 Cc1ccnc(c1)CNCC(F)F 34a_100000765723_100000718516 [0,2,0,0,0,0|2,0,0]=4 27892 B13R1.149 Cc1ccnc(c1)COCC(C)Br 34a_100012180447_100000718516 [0,2,0,0,0,0|1,0,0]=3 27893 B13R1.149 Cc1ccnc(c1)COCC(C)C 34a_100000210257_100000718516 [0,2,0,0,0,0|1,0,0]=3 27894 B13R1.149 Cc1ccnc(c1)COCC(C)C 34a_100011998357_100000210624 [0,2,0,0,0,0|1,0,0]=3 27895 B13R1.149 Cc1ccnc(c1)COCC(C)F 34a_100015925927_100000718516 [0,2,0,0,0,0|1,0,0]=3 27896 B13R1.149 Cc1ccnc(c1)COCC(C)O 34a_100011998357_100011218427 [0,2,0,0,0,0|1,0,0]=3 27897 B13R1.149 Cc1ccnc(c1)COCC(F)F 34a_100000743014_100000718516 [0,2,0,0,0,0|2,0,0]=4 27898 B13R1.149 Cc1ccnc(c1)COCC(F)F 34a_100011998357_100011934356 [0,2,0,0,0,0|2,0,0]=4 27899 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)Cl 34a_100016084084_100000718516 [0,2,0,0,0,0|1,0,0]=3 27900 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)N 34a_100000737577_100000718516 [0,2,0,0,0,0|1,0,0]=3 27901 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)O 34a_100011998357_100009817552 [0,2,0,0,0,0|1,0,0]=3 27902 B13R1.149 Cc1ccnc(c1)CSCC(C)C 62a_100000210624_100000718516 [0,2,0,0,0,0|1,0,0]=3 27903 B13R1.149 Cc1ccnc(c1)CSCC(C)C 62a_100000718516_100000210760 [0,2,0,0,0,0|1,0,0]=3 27904 B13R1.149 Cc1ccnc(c1)CSCC(C)O 62a_100000718516_100011218427 [0,2,0,0,0,0|1,0,0]=3 27905 B13R1.149 Cc1ccnc(c1)CSCC(C)O 62a_100011218427_100000718516 [0,2,0,0,0,0|1,0,0]=3 27906 B13R1.149 Cc1ccnc(c1)CSCC(F)F 62a_100000718516_100011934356 [0,2,0,0,0,0|2,0,0]=4 27907 B13R1.149 Cc1ccnc(c1)CSCC(F)F 62a_100011934356_100000718516 [0,2,0,0,0,0|2,0,0]=4 27908 B13R1.149 Cc1ccnc(c1)CSC[C@@H](C)O 62a_100000718516_100009817552 [0,2,0,0,0,0|1,0,0]=3 27909 B13R1.149 Cc1ccnc(c1)CSC[C@@H](C)O 62a_100009817552_100000718516 [0,2,0,0,0,0|1,0,0]=3 27910 B13R1.149 Cc1ccnc(c1)SCCC(C)C 62a_100000210312_100000750283 [0,2,0,0,0,0|1,0,0]=3 27911 B13R1.149 Cc1ccnc(c1)SCCC(C)C 62a_100000750283_100000210312 [0,2,0,0,0,0|1,0,0]=3 27912 B13R1.149 Cc1ccnc(c1)SCCC(C)O 62a_100000750283_100012276601 [0,2,0,0,0,0|1,0,0]=3 27913 B13R1.149 Cc1ccnc(c1)SCCC(C)O 62a_100012276601_100000750283 [0,2,0,0,0,0|1,0,0]=3 27914 B13R1.149 Cc1ccnc(c1)SCCN(C)C 62a_100000750283_100000755713 [0,2,0,0,0,0|2,0,0]=4 27915 B13R1.149 Cc1ccnc(c1)SCOC(C)C 62a_100000709892_100000750283 [0,2,0,0,0,0|2,0,0]=4 27916 B13R1.149 Cc1ccnc(c1)SCOC(C)C 62a_100000750283_100000709892 [0,2,0,0,0,0|2,0,0]=4 27917 B13R1.149 Cc1ccnc(n1)CNCC(C)C 2230a_100015186494_100000210760 [0,2,0,0,0,0|2,0,0]=4 27918 B13R1.149 Cc1ccnc(n1)CNCC(C)O 2230a_100015186494_100011218427 [0,2,0,0,0,0|2,0,0]=4 27919 B13R1.149 Cc1ccnc(n1)CNC[C@@H](C)O 2230a_100015186494_100009817552 [0,2,0,0,0,0|2,0,0]=4 27920 B13R1.149 Cc1ccnc(n1)NCCC(C)C 27a_100000210545_100000750684 [0,2,0,0,0,0|2,0,0]=4 27921 B13R1.149 Cc1ccnc(n1)NCCC(C)O 27a_200000755665_100000750684 [0,2,0,0,0,0|2,0,0]=4 27922 B13R1.149 Cc1ccnc(n1)SCCC(C)C 62a_100000210312_100011243806 [0,2,0,0,0,0|2,0,0]=4 27923 B13R1.149 Cc1ccnc(n1)SCCC(C)C 62a_100011243806_100000210312 [0,2,0,0,0,0|2,0,0]=4 27924 B13R1.149 Cc1ccnc(n1)SCCC(C)O 62a_100011243806_100012276601 [0,2,0,0,0,0|2,0,0]=4 27925 B13R1.149 Cc1ccnc(n1)SCCC(C)O 62a_100012276601_100011243806 [0,2,0,0,0,0|2,0,0]=4 27926 B13R1.149 Cc1cncc(n1)CNCC(C)C 207a_100000210953_100000100294 [0,2,0,0,0,0|2,0,0]=4 27927 B13R1.149 Cc1cncc(n1)CNCC(C)C 270004a_100000210953_100000100294 [0,2,0,0,0,0|2,0,0]=4 27928 B13R1.149 Cc1cncc(n1)CNCC(C)O 207a_100000210904_100000100294 [0,2,0,0,0,0|2,0,0]=4 27929 B13R1.149 Cc1cncc(n1)CNCC(C)O 270004a_100000210904_100000100294 [0,2,0,0,0,0|2,0,0]=4 27930 B13R1.149 Cc1cncc(n1)NCCC(C)C 27a_100000210545_100000754123 [0,2,0,0,0,0|2,0,0]=4 27931 B13R1.149 Cc1cncc(n1)NCCC(C)O 27a_200000755665_100000754123 [0,2,0,0,0,0|2,0,0]=4 27932 B13R1.149 Cc1cncc(n1)SCCC(C)C 62a_100000210312_100000754123 [0,2,0,0,0,0|2,0,0]=4 27933 B13R1.149 Cc1cncc(n1)SCCC(C)C 62a_100000754123_100000210312 [0,2,0,0,0,0|2,0,0]=4 27934 B13R1.149 Cc1cncc(n1)SCCC(C)O 62a_100000754123_100012276601 [0,2,0,0,0,0|2,0,0]=4 27935 B13R1.149 Cc1cncc(n1)SCCC(C)O 62a_100012276601_100000754123 [0,2,0,0,0,0|2,0,0]=4 27936 B13R1.149 Cc1cnnc(c1)COCC(C)C 34a_100016212594_100000210624 [0,2,0,0,0,0|2,0,0]=4 27937 B13R1.149 Cc1cnnc(c1)COCC(C)O 34a_100016212594_100011218427 [0,2,0,0,0,0|2,0,0]=4 27938 B13R1.149 Cc1cnnc(c1)COC[C@@H](C)O 34a_100016212594_100009817552 [0,2,0,0,0,0|2,0,0]=4 27939 B13R1.149 Cc1cnnc(c1)NCCC(C)C 27a_100000210545_100000070100 [0,2,0,0,0,0|2,0,0]=4 27940 B13R1.149 Cc1cnnc(c1)NCCC(C)O 27a_200000755665_100000070100 [0,2,0,0,0,0|2,0,0]=4 27941 B13R1.149 Cc1cnnc(c1)OCCC(C)C 34a_100000766097_100000210312 [0,2,0,0,0,0|2,0,0]=4 27942 B13R1.149 Cc1cnnc(c1)OCCC(C)O 34a_100000766097_100012276601 [0,2,0,0,0,0|2,0,0]=4 27943 B13R1.149 Cc1cnnc(c1)SCCC(C)C 62a_100000070100_100000210312 [0,2,0,0,0,0|2,0,0]=4 27944 B13R1.149 Cc1cnnc(c1)SCCC(C)C 62a_100000210312_100000070100 [0,2,0,0,0,0|2,0,0]=4 27945 B13R1.149 Cc1cnnc(c1)SCCC(C)O 62a_100000070100_100012276601 [0,2,0,0,0,0|2,0,0]=4 27946 B13R1.149 Cc1cnnc(c1)SCCC(C)O 62a_100012276601_100000070100 [0,2,0,0,0,0|2,0,0]=4 27947 B13R1.149 Cc1nccc(n1)CNCC(C)C 270004a_100000210953_100011361539 [0,2,0,0,0,0|2,0,0]=4 27948 B13R1.149 Cc1nccc(n1)CNCC(C)O 270004a_100000210904_100011361539 [0,2,0,0,0,0|2,0,0]=4 27949 B13R1.149 Cc1nccc(n1)NCCC(C)C 27a_100000210545_100000749937 [0,2,0,0,0,0|2,0,0]=4 27950 B13R1.149 Cc1nccc(n1)NCCC(C)O 27a_200000755665_100000749937 [0,2,0,0,0,0|2,0,0]=4 27951 B13R1.149 Cc1nccc(n1)SCCC(C)C 62a_100000210312_100000749937 [0,2,0,0,0,0|2,0,0]=4 27952 B13R1.149 Cc1nccc(n1)SCCC(C)C 62a_100000749937_100000210312 [0,2,0,0,0,0|2,0,0]=4 27953 B13R1.149 Cc1nccc(n1)SCCC(C)O 62a_100000749937_100012276601 [0,2,0,0,0,0|2,0,0]=4 27954 B13R1.149 Cc1nccc(n1)SCCC(C)O 62a_100012276601_100000749937 [0,2,0,0,0,0|2,0,0]=4 27955 B13R1.149 FC(F)CNCc1cc(ccn1)Br 270004a_100000765723_100009818557 [0,2,0,0,0,0|2,0,0]=4 27956 B13R1.149 FC(F)CNCc1cc(ccn1)Br 34a_100000765723_100010173614 [0,2,0,0,0,0|2,0,0]=4 27957 B13R1.149 FC(F)CNCc1cc(ccn1)Cl 270004a_100000765723_100011998288 [0,2,0,0,0,0|2,0,0]=4 27958 B13R1.149 FC(F)CNCc1cc(ccn1)Cl 34a_100000765723_100016988179 [0,2,0,0,0,0|2,0,0]=4 27959 B13R1.149 FC(F)CNCc1cccc(n1)Br 2230a_100016987751_100011934356 [0,2,0,0,0,0|2,0,0]=4 27960 B13R1.149 FC(F)CNCc1cccc(n1)Br 270004a_100000765723_100000688028 [0,2,0,0,0,0|2,0,0]=4 27961 B13R1.149 FC(F)CNCc1cccc(n1)Br 34a_100000765723_100009889011 [0,2,0,0,0,0|2,0,0]=4 27962 B13R1.149 FC(F)CNCc1cccc(n1)Cl 2230a_100016990191_100011934356 [0,2,0,0,0,0|2,0,0]=4 27963 B13R1.149 FC(F)CNCc1cccc(n1)Cl 270004a_100000765723_100011361687 [0,2,0,0,0,0|2,0,0]=4 27964 B13R1.149 FC(F)CNCc1cccc(n1)Cl 34a_100000765723_100000086093 [0,2,0,0,0,0|2,0,0]=4 27965 B13R1.149 FC(F)COCc1cc(ccn1)Br 34a_100000743014_100010173614 [0,2,0,0,0,0|2,0,0]=4 27966 B13R1.149 FC(F)COCc1cc(ccn1)Cl 34a_100000743014_100016988179 [0,2,0,0,0,0|2,0,0]=4 27967 B13R1.149 FC(F)COCc1cc(ccn1)Cl 34a_100000748867_100011934356 [0,2,0,0,0,0|2,0,0]=4 27968 B13R1.149 FC(F)COCc1cccc(n1)Br 34a_100000694195_100011934356 [0,2,0,0,0,0|2,0,0]=4 27969 B13R1.149 FC(F)COCc1cccc(n1)Br 34a_100000743014_100009889011 [0,2,0,0,0,0|2,0,0]=4 27970 B13R1.149 FC(F)COCc1cccc(n1)Cl 34a_100000743014_100000086093 [0,2,0,0,0,0|2,0,0]=4 27971 B13R1.149 FC(F)COCc1cccc(n1)Cl 34a_100011998359_100011934356 [0,2,0,0,0,0|2,0,0]=4 27972 B13R1.149 FC(F)CSCc1cc(ccn1)Br 62a_100010173614_100011934356 [0,2,0,0,0,0|2,0,0]=4 27973 B13R1.149 FC(F)CSCc1cc(ccn1)Br 62a_100011934356_100010173614 [0,2,0,0,0,0|2,0,0]=4 27974 B13R1.149 FC(F)CSCc1cc(ccn1)Cl 62a_100011934356_100016988179 [0,2,0,0,0,0|2,0,0]=4 27975 B13R1.149 FC(F)CSCc1cc(ccn1)Cl 62a_100016988179_100011934356 [0,2,0,0,0,0|2,0,0]=4 27976 B13R1.149 FC(F)CSCc1cccc(n1)Br 62a_100009889011_100011934356 [0,2,0,0,0,0|2,0,0]=4 27977 B13R1.149 FC(F)CSCc1cccc(n1)Br 62a_100011934356_100009889011 [0,2,0,0,0,0|2,0,0]=4 27978 B13R1.149 FC(F)CSCc1cccc(n1)Cl 62a_100000086093_100011934356 [0,2,0,0,0,0|2,0,0]=4 27979 B13R1.149 FC(F)CSCc1cccc(n1)Cl 62a_100011934356_100000086093 [0,2,0,0,0,0|2,0,0]=4 27980 B13R1.149 Fc1cccc(n1)CNCC(F)F 2230a_100015188798_100011934356 [0,2,0,0,0,0|2,0,0]=4 27981 B13R1.149 Fc1cccc(n1)CNCC(F)F 270004a_100000765723_100000050434 [0,2,0,0,0,0|2,0,0]=4 27982 B13R1.149 Fc1cccc(n1)CNCC(F)F 34a_100000765723_100009819644 [0,2,0,0,0,0|2,0,0]=4 27983 B13R1.149 Fc1cccc(n1)CNCC(F)F 34a_100015188798_100011934356 [0,2,0,0,0,0|2,0,0]=4 27984 B13R1.149 Fc1cccc(n1)COCC(F)F 34a_100000086748_100011934356 [0,2,0,0,0,0|2,0,0]=4 27985 B13R1.149 Fc1cccc(n1)COCC(F)F 34a_100000743014_100009819644 [0,2,0,0,0,0|2,0,0]=4 27986 B13R1.149 Fc1cccc(n1)CSCC(F)F 62a_100009819644_100011934356 [0,2,0,0,0,0|2,0,0]=4 27987 B13R1.149 Fc1cccc(n1)CSCC(F)F 62a_100011934356_100009819644 [0,2,0,0,0,0|2,0,0]=4 27988 B13R1.149 Nc1ccnc(c1)COCC(F)F 34a_100000692640_100011934356 [0,2,0,0,0,0|2,0,0]=4 27989 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,2,0,0,0,0|1,0,1]=4 27990 B13R1.656 CCCC=Cc1nc(ccc1Br)N 271570a_100016258520_100010192275 [0,2,0,0,0,0|0,0,2]=4 27991 B13R1.656 CCCC=Cc1nc(ccc1C)C 271570a_100016258520_100009854376 [0,2,0,0,0,0|0,0,2]=4 27992 B13R1.656 CCCC=Cc1nc(ccc1C)N 271570a_100016258520_100000126722 [0,2,0,0,0,0|0,0,2]=4 27993 B13R1.656 CCCC=Cc1nc(ccc1F)C 271570a_100016258520_100009817602 [0,2,0,0,0,0|0,0,2]=4 27994 B13R1.656 CCCC=Cc1nc(ccc1F)Cl 271570a_100016258520_100010136221 [0,2,0,0,0,0|0,0,2]=4 27995 B13R1.656 CCCC=Cc1nc(ccc1F)F 271570a_100016258520_100010997973 [0,2,0,0,0,0|0,0,2]=4 27996 B13R1.656 CCCC=Cc1nc(ccc1F)N 271570a_100016258520_100010892222 [0,2,0,0,0,0|0,0,2]=4 27997 B13R1.656 CCCC=Cc1nc(ccc1N)Br 271570a_100016258520_100010168765 [0,2,0,0,0,0|0,0,2]=4 27998 B13R1.656 CCCC=Cc1nc(ccc1N)C 271570a_100016258520_100000685570 [0,2,0,0,0,0|0,0,2]=4 27999 B13R1.656 CCCC=Cc1nc(ccc1N)Cl 271570a_100016258520_100010233647 [0,2,0,0,0,0|0,0,2]=4 28000 B13R1.656 CCCC=Cc1nc(ccc1N)F 271570a_100016258520_100009879877 [0,2,0,0,0,0|0,0,2]=4 28001 B13R1.656 CCCC=Cc1nc(ccc1N)N 271570a_100016258520_200009884323 [0,2,0,0,0,0|0,0,2]=4 28002 B13R1.656 CCCC=Cc1nc(ccc1O)Br 271570a_100016258520_100010253912 [0,2,0,0,0,0|0,0,2]=4 28003 B13R1.656 CCCC=Cc1nc(ccc1O)C 271570a_100016258520_100000702858 [0,2,0,0,0,0|0,0,2]=4 28004 B13R1.656 CCCC=Cc1nc(ccc1O)Cl 271570a_100016258520_100000696390 [0,2,0,0,0,0|0,0,2]=4 28005 B13R1.656 CCCC=Cc1nc(ccc1O)F 271570a_100016258520_100010382442 [0,2,0,0,0,0|0,0,2]=4 28006 B13R1.656 CCCCNc1cc(ccc1Br)Br 34a_100000737762_100000210210 [0,2,0,0,0,0|2,0,0]=4 28007 B13R1.656 CCCCNc1cc(ccc1Br)C 34a_100000745044_100000210210 [0,2,0,0,0,0|2,0,0]=4 28008 B13R1.656 CCCCNc1cc(ccc1Br)Cl 34a_100000687073_100000210210 [0,2,0,0,0,0|2,0,0]=4 28009 B13R1.656 CCCCNc1cc(ccc1Br)F 34a_100000687223_100000210210 [0,2,0,0,0,0|2,0,0]=4 28010 B13R1.656 CCCCNc1cc(ccc1Br)O 34a_100011999798_100000210210 [0,2,0,0,0,0|2,0,0]=4 28011 B13R1.656 CCCCNc1cc(ccc1C)Br 34a_100000741167_100000210210 [0,2,0,0,0,0|2,0,0]=4 28012 B13R1.656 CCCCNc1cc(ccc1C)Br 7a_100000741167_100000210211 [0,2,0,0,0,0|2,0,0]=4 28013 B13R1.656 CCCCNc1cc(ccc1C)C 2230a_100000185781_100000210211 [0,2,0,0,0,0|2,0,0]=4 28014 B13R1.656 CCCCNc1cc(ccc1C)C 34a_100000185781_100000210210 [0,2,0,0,0,0|2,0,0]=4 28015 B13R1.656 CCCCNc1cc(ccc1C)C 7a_100000185781_100000210211 [0,2,0,0,0,0|2,0,0]=4 28016 B13R1.656 CCCCNc1cc(ccc1C)Cl 34a_100000211374_100000210210 [0,2,0,0,0,0|2,0,0]=4 28017 B13R1.656 CCCCNc1cc(ccc1C)Cl 7a_100000211374_100000210211 [0,2,0,0,0,0|2,0,0]=4 28018 B13R1.656 CCCCNc1cc(ccc1C)F 34a_100000211107_100000210210 [0,2,0,0,0,0|2,0,0]=4 28019 B13R1.656 CCCCNc1cc(ccc1C)F 7a_100000211107_100000210211 [0,2,0,0,0,0|2,0,0]=4 28020 B13R1.656 CCCCNc1cc(ccc1C)I 7a_100000761890_100000210211 [0,2,0,0,0,0|2,0,0]=4 28021 B13R1.656 CCCCNc1cc(ccc1C)O 34a_100011216113_100000210210 [0,2,0,0,0,0|2,0,0]=4 28022 B13R1.656 CCCCNc1cc(ccc1Cl)Br 34a_100000750497_100000210210 [0,2,0,0,0,0|2,0,0]=4 28023 B13R1.656 CCCCNc1cc(ccc1Cl)C 34a_100011215360_100000210210 [0,2,0,0,0,0|2,0,0]=4 28024 B13R1.656 CCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210210 [0,2,0,0,0,0|2,0,0]=4 28025 B13R1.656 CCCCNc1cc(ccc1Cl)F 34a_100000751338_100000210210 [0,2,0,0,0,0|2,0,0]=4 28026 B13R1.656 CCCCNc1cc(ccc1Cl)I 34a_200000761891_100000210210 [0,2,0,0,0,0|2,0,0]=4 28027 B13R1.656 CCCCNc1cc(ccc1Cl)O 34a_100011934297_100000210210 [0,2,0,0,0,0|2,0,0]=4 28028 B13R1.656 CCCCNc1cc(ccc1F)Br 34a_100000740924_100000210210 [0,2,0,0,0,0|2,0,0]=4 28029 B13R1.656 CCCCNc1cc(ccc1F)C 34a_100000211285_100000210210 [0,2,0,0,0,0|2,0,0]=4 28030 B13R1.656 CCCCNc1cc(ccc1F)Cl 34a_100000212115_100000210210 [0,2,0,0,0,0|2,0,0]=4 28031 B13R1.656 CCCCNc1cc(ccc1F)F 34a_100000210742_100000210210 [0,2,0,0,0,0|2,0,0]=4 28032 B13R1.656 CCCCNc1cc(ccc1F)I 34a_100011464823_100000210210 [0,2,0,0,0,0|2,0,0]=4 28033 B13R1.656 CCCCNc1cc(ccc1F)O 34a_100012017239_100000210210 [0,2,0,0,0,0|2,0,0]=4 28034 B13R1.656 CCCCNc1cc(ccc1I)Br 34a_100000743836_100000210210 [0,2,0,0,0,0|2,0,0]=4 28035 B13R1.656 CCCCNc1cc(ccc1I)C 34a_100011216686_100000210210 [0,2,0,0,0,0|2,0,0]=4 28036 B13R1.656 CCCCNc1cc(ccc1I)Cl 34a_100000761886_100000210210 [0,2,0,0,0,0|2,0,0]=4 28037 B13R1.656 CCCCNc1cc(ccc1I)F 34a_100011218093_100000210210 [0,2,0,0,0,0|2,0,0]=4 28038 B13R1.656 CCCCNc1cc(ccc1O)Br 34a_100000752626_100000210210 [0,2,0,0,0,0|2,0,0]=4 28039 B13R1.656 CCCCNc1cc(ccc1O)C 34a_100011215204_100000210210 [0,2,0,0,0,0|2,0,0]=4 28040 B13R1.656 CCCCNc1cc(ccc1O)Cl 34a_100000210500_100000210210 [0,2,0,0,0,0|2,0,0]=4 28041 B13R1.656 CCCCNc1cc(ccc1O)F 34a_100000759472_100000210210 [0,2,0,0,0,0|2,0,0]=4 28042 B13R1.656 CCCCNc1nc(ccc1F)F 27a_100000102301_100010997973 [0,2,0,0,0,0|1,0,0]=3 28043 B13R1.656 CCCCNc1nc(ccc1N)F 27a_100000102301_100009879877 [0,2,0,0,0,0|1,0,0]=3 28044 B13R1.656 CCCCNc1nc(cnc1C)C 27a_100000102301_100000211308 [0,2,0,0,0,0|2,0,0]=4 28045 B13R1.656 CCCCNc1nc(ncc1C)N 27a_100000102301_100000016107 [0,2,0,0,0,0|2,0,0]=4 28046 B13R1.656 CCCCNc1nc(ncc1F)C 27a_100000102301_100000059819 [0,2,0,0,0,0|2,0,0]=4 28047 B13R1.656 CCCCNc1nc(ncc1F)N 27a_100000102301_200000093006 [0,2,0,0,0,0|2,0,0]=4 28048 B13R1.656 CCCCNc1nc(ncc1N)C 27a_100000102301_100009873743 [0,2,0,0,0,0|2,0,0]=4 28049 B13R1.656 CCCCOc1cc(ccc1Br)Br 34a_100011220040_100000210210 [0,2,0,0,0,0|2,0,0]=4 28050 B13R1.656 CCCCOc1cc(ccc1Br)Br 7a_100011220040_100000210211 [0,2,0,0,0,0|2,0,0]=4 28051 B13R1.656 CCCCOc1cc(ccc1Br)C 34a_100012002257_100000210210 [0,2,0,0,0,0|2,0,0]=4 28052 B13R1.656 CCCCOc1cc(ccc1Br)C 7a_100012002257_100000210211 [0,2,0,0,0,0|2,0,0]=4 28053 B13R1.656 CCCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210210 [0,2,0,0,0,0|2,0,0]=4 28054 B13R1.656 CCCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210211 [0,2,0,0,0,0|2,0,0]=4 28055 B13R1.656 CCCCOc1cc(ccc1Br)F 34a_100000690578_100000210210 [0,2,0,0,0,0|2,0,0]=4 28056 B13R1.656 CCCCOc1cc(ccc1Br)F 7a_100000690578_100000210211 [0,2,0,0,0,0|2,0,0]=4 28057 B13R1.656 CCCCOc1cc(ccc1Br)I 34a_100012356990_100000210210 [0,2,0,0,0,0|2,0,0]=4 28058 B13R1.656 CCCCOc1cc(ccc1Br)I 7a_100012356990_100000210211 [0,2,0,0,0,0|2,0,0]=4 28059 B13R1.656 CCCCOc1cc(ccc1C)Br 34a_100000685420_100000210210 [0,2,0,0,0,0|2,0,0]=4 28060 B13R1.656 CCCCOc1cc(ccc1C)Br 7a_100000685420_100000210211 [0,2,0,0,0,0|2,0,0]=4 28061 B13R1.656 CCCCOc1cc(ccc1C)C 34a_100000210931_100000210210 [0,2,0,0,0,0|2,0,0]=4 28062 B13R1.656 CCCCOc1cc(ccc1C)C 7a_100000210931_100000210211 [0,2,0,0,0,0|2,0,0]=4 28063 B13R1.656 CCCCOc1cc(ccc1C)Cl 34a_100000756515_100000210210 [0,2,0,0,0,0|2,0,0]=4 28064 B13R1.656 CCCCOc1cc(ccc1C)Cl 7a_100000756515_100000210211 [0,2,0,0,0,0|2,0,0]=4 28065 B13R1.656 CCCCOc1cc(ccc1C)F 34a_100000690566_100000210210 [0,2,0,0,0,0|2,0,0]=4 28066 B13R1.656 CCCCOc1cc(ccc1C)F 7a_100000690566_100000210211 [0,2,0,0,0,0|2,0,0]=4 28067 B13R1.656 CCCCOc1cc(ccc1C)I 7a_100000766334_100000210211 [0,2,0,0,0,0|2,0,0]=4 28068 B13R1.656 CCCCOc1cc(ccc1C)N 34a_100000759471_100000210210 [0,2,0,0,0,0|2,0,0]=4 28069 B13R1.656 CCCCOc1cc(ccc1C)N 7a_100000759471_100000210211 [0,2,0,0,0,0|2,0,0]=4 28070 B13R1.656 CCCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210210 [0,2,0,0,0,0|2,0,0]=4 28071 B13R1.656 CCCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210211 [0,2,0,0,0,0|2,0,0]=4 28072 B13R1.656 CCCCOc1cc(ccc1Cl)C 34a_100000211493_100000210210 [0,2,0,0,0,0|2,0,0]=4 28073 B13R1.656 CCCCOc1cc(ccc1Cl)C 7a_100000211493_100000210211 [0,2,0,0,0,0|2,0,0]=4 28074 B13R1.656 CCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210210 [0,2,0,0,0,0|2,0,0]=4 28075 B13R1.656 CCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210211 [0,2,0,0,0,0|2,0,0]=4 28076 B13R1.656 CCCCOc1cc(ccc1Cl)F 34a_100000692107_100000210210 [0,2,0,0,0,0|2,0,0]=4 28077 B13R1.656 CCCCOc1cc(ccc1Cl)F 7a_100000692107_100000210211 [0,2,0,0,0,0|2,0,0]=4 28078 B13R1.656 CCCCOc1cc(ccc1Cl)I 34a_100011356854_100000210210 [0,2,0,0,0,0|2,0,0]=4 28079 B13R1.656 CCCCOc1cc(ccc1Cl)I 7a_100011356854_100000210211 [0,2,0,0,0,0|2,0,0]=4 28080 B13R1.656 CCCCOc1cc(ccc1Cl)N 34a_100011934209_100000210210 [0,2,0,0,0,0|2,0,0]=4 28081 B13R1.656 CCCCOc1cc(ccc1F)Br 34a_100000686035_100000210210 [0,2,0,0,0,0|2,0,0]=4 28082 B13R1.656 CCCCOc1cc(ccc1F)Br 7a_100000686035_100000210211 [0,2,0,0,0,0|2,0,0]=4 28083 B13R1.656 CCCCOc1cc(ccc1F)C 34a_100000759540_100000210210 [0,2,0,0,0,0|2,0,0]=4 28084 B13R1.656 CCCCOc1cc(ccc1F)C 7a_100000759540_100000210211 [0,2,0,0,0,0|2,0,0]=4 28085 B13R1.656 CCCCOc1cc(ccc1F)Cl 34a_100000757397_100000210210 [0,2,0,0,0,0|2,0,0]=4 28086 B13R1.656 CCCCOc1cc(ccc1F)Cl 7a_100000757397_100000210211 [0,2,0,0,0,0|2,0,0]=4 28087 B13R1.656 CCCCOc1cc(ccc1F)F 34a_100000752141_100000210210 [0,2,0,0,0,0|2,0,0]=4 28088 B13R1.656 CCCCOc1cc(ccc1F)F 7a_100000752141_100000210211 [0,2,0,0,0,0|2,0,0]=4 28089 B13R1.656 CCCCOc1cc(ccc1F)I 34a_100009958187_100000210210 [0,2,0,0,0,0|2,0,0]=4 28090 B13R1.656 CCCCOc1cc(ccc1F)I 7a_100009958187_100000210211 [0,2,0,0,0,0|2,0,0]=4 28091 B13R1.656 CCCCOc1cc(ccc1F)N 34a_100012017398_100000210210 [0,2,0,0,0,0|2,0,0]=4 28092 B13R1.656 CCCCOc1cc(ccc1F)N 7a_100012017398_100000210211 [0,2,0,0,0,0|2,0,0]=4 28093 B13R1.656 CCCCOc1cc(ccc1I)Br 34a_100012344904_100000210210 [0,2,0,0,0,0|2,0,0]=4 28094 B13R1.656 CCCCOc1cc(ccc1I)Br 7a_100012344904_100000210211 [0,2,0,0,0,0|2,0,0]=4 28095 B13R1.656 CCCCOc1cc(ccc1I)Cl 34a_100000050036_100000210210 [0,2,0,0,0,0|2,0,0]=4 28096 B13R1.656 CCCCOc1cc(ccc1I)Cl 7a_100000050036_100000210211 [0,2,0,0,0,0|2,0,0]=4 28097 B13R1.656 CCCCOc1cc(ccc1I)F 34a_100010084537_100000210210 [0,2,0,0,0,0|2,0,0]=4 28098 B13R1.656 CCCCOc1cc(ccc1I)F 7a_100010084537_100000210211 [0,2,0,0,0,0|2,0,0]=4 28099 B13R1.656 CCCCOc1cc(ccc1N)Br 34a_100000739049_100000210210 [0,2,0,0,0,0|2,0,0]=4 28100 B13R1.656 CCCCOc1cc(ccc1N)Br 7a_100000739049_100000210211 [0,2,0,0,0,0|2,0,0]=4 28101 B13R1.656 CCCCOc1cc(ccc1N)C 34a_100000211527_100000210210 [0,2,0,0,0,0|2,0,0]=4 28102 B13R1.656 CCCCOc1cc(ccc1N)C 7a_100000211527_100000210211 [0,2,0,0,0,0|2,0,0]=4 28103 B13R1.656 CCCCOc1cc(ccc1N)Cl 34a_100000185728_100000210210 [0,2,0,0,0,0|2,0,0]=4 28104 B13R1.656 CCCCOc1cc(ccc1N)Cl 7a_100000185728_100000210211 [0,2,0,0,0,0|2,0,0]=4 28105 B13R1.656 CCCCOc1cc(ccc1N)F 34a_100000753323_100000210210 [0,2,0,0,0,0|2,0,0]=4 28106 B13R1.656 CCCCOc1cc(ccc1N)F 7a_100000753323_100000210211 [0,2,0,0,0,0|2,0,0]=4 28107 B13R1.656 CCCCOc1cc(ccc1N)I 34a_100000057187_100000210210 [0,2,0,0,0,0|2,0,0]=4 28108 B13R1.656 CCCCOc1cc(ccc1N)I 7a_100000057187_100000210211 [0,2,0,0,0,0|2,0,0]=4 28109 B13R1.656 CCCCOc1cc(ccc1N)N 34a_100025717382_100000210210 [0,2,0,0,0,0|2,0,0]=4 28110 B13R1.656 CCCCOc1cc(ccc1O)F 271570a_203496583355_200012344554 [0,2,0,0,0,0|2,0,0]=4 28111 B13R1.656 CCCCOc1nc(ccc1Br)C 34a_100009817604_100000210210 [0,2,0,0,0,0|1,0,0]=3 28112 B13R1.656 CCCCOc1nc(ccc1F)Cl 34a_100010729010_100000210210 [0,2,0,0,0,0|1,0,0]=3 28113 B13R1.656 CCCCOc1nc(ccc1N)C 34a_100000687486_100000210210 [0,2,0,0,0,0|1,0,0]=3 28114 B13R1.656 CCCCOc1nc(ncc1F)Cl 34a_100011995740_100000210210 [0,2,0,0,0,0|2,0,0]=4 28115 B13R1.656 CCCCSc1cc(ccc1Br)Br 62a_100000210211_100011483371 [0,2,0,0,0,0|2,0,0]=4 28116 B13R1.656 CCCCSc1cc(ccc1Br)Br 62a_100011483371_100000210210 [0,2,0,0,0,0|2,0,0]=4 28117 B13R1.656 CCCCSc1cc(ccc1Br)C 62a_100000210211_100012353751 [0,2,0,0,0,0|2,0,0]=4 28118 B13R1.656 CCCCSc1cc(ccc1Br)C 62a_100012353751_100000210210 [0,2,0,0,0,0|2,0,0]=4 28119 B13R1.656 CCCCSc1cc(ccc1Br)Cl 62a_100000210211_100012339723 [0,2,0,0,0,0|2,0,0]=4 28120 B13R1.656 CCCCSc1cc(ccc1Br)Cl 62a_100012339723_100000210210 [0,2,0,0,0,0|2,0,0]=4 28121 B13R1.656 CCCCSc1cc(ccc1Br)F 62a_100000210211_100011217576 [0,2,0,0,0,0|2,0,0]=4 28122 B13R1.656 CCCCSc1cc(ccc1Br)F 62a_100011217576_100000210210 [0,2,0,0,0,0|2,0,0]=4 28123 B13R1.656 CCCCSc1cc(ccc1Br)N 62a_100000210211_100000750459 [0,2,0,0,0,0|2,0,0]=4 28124 B13R1.656 CCCCSc1cc(ccc1Br)N 62a_100000750459_100000210210 [0,2,0,0,0,0|2,0,0]=4 28125 B13R1.656 CCCCSc1cc(ccc1Br)O 62a_100000210211_100012339312 [0,2,0,0,0,0|2,0,0]=4 28126 B13R1.656 CCCCSc1cc(ccc1Br)O 62a_100012339312_100000210210 [0,2,0,0,0,0|2,0,0]=4 28127 B13R1.656 CCCCSc1cc(ccc1C)Br 62a_100000210211_100011344865 [0,2,0,0,0,0|2,0,0]=4 28128 B13R1.656 CCCCSc1cc(ccc1C)Br 62a_100011344865_100000210210 [0,2,0,0,0,0|2,0,0]=4 28129 B13R1.656 CCCCSc1cc(ccc1C)C 62a_100000210211_100000210833 [0,2,0,0,0,0|2,0,0]=4 28130 B13R1.656 CCCCSc1cc(ccc1C)C 62a_100000210833_100000210210 [0,2,0,0,0,0|2,0,0]=4 28131 B13R1.656 CCCCSc1cc(ccc1C)Cl 62a_100000210211_100011263213 [0,2,0,0,0,0|2,0,0]=4 28132 B13R1.656 CCCCSc1cc(ccc1C)Cl 62a_100011263213_100000210210 [0,2,0,0,0,0|2,0,0]=4 28133 B13R1.656 CCCCSc1cc(ccc1C)F 62a_100000210211_100011218078 [0,2,0,0,0,0|2,0,0]=4 28134 B13R1.656 CCCCSc1cc(ccc1C)F 62a_100011218078_100000210210 [0,2,0,0,0,0|2,0,0]=4 28135 B13R1.656 CCCCSc1cc(ccc1C)N 62a_100000210211_100000736455 [0,2,0,0,0,0|2,0,0]=4 28136 B13R1.656 CCCCSc1cc(ccc1C)N 62a_100000736455_100000210210 [0,2,0,0,0,0|2,0,0]=4 28137 B13R1.656 CCCCSc1cc(ccc1C)O 62a_100000210211_100011380479 [0,2,0,0,0,0|2,0,0]=4 28138 B13R1.656 CCCCSc1cc(ccc1C)O 62a_100011380479_100000210210 [0,2,0,0,0,0|2,0,0]=4 28139 B13R1.656 CCCCSc1cc(ccc1Cl)Br 62a_100000210211_100011772130 [0,2,0,0,0,0|2,0,0]=4 28140 B13R1.656 CCCCSc1cc(ccc1Cl)Br 62a_100011772130_100000210210 [0,2,0,0,0,0|2,0,0]=4 28141 B13R1.656 CCCCSc1cc(ccc1Cl)C 62a_100000210211_100012356289 [0,2,0,0,0,0|2,0,0]=4 28142 B13R1.656 CCCCSc1cc(ccc1Cl)C 62a_100012356289_100000210210 [0,2,0,0,0,0|2,0,0]=4 28143 B13R1.656 CCCCSc1cc(ccc1Cl)Cl 62a_100000210211_100000707729 [0,2,0,0,0,0|2,0,0]=4 28144 B13R1.656 CCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210210 [0,2,0,0,0,0|2,0,0]=4 28145 B13R1.656 CCCCSc1cc(ccc1Cl)F 62a_100000210211_100011217299 [0,2,0,0,0,0|2,0,0]=4 28146 B13R1.656 CCCCSc1cc(ccc1Cl)F 62a_100011217299_100000210210 [0,2,0,0,0,0|2,0,0]=4 28147 B13R1.656 CCCCSc1cc(ccc1Cl)N 62a_100000210211_100012360549 [0,2,0,0,0,0|2,0,0]=4 28148 B13R1.656 CCCCSc1cc(ccc1Cl)N 62a_100012360549_100000210210 [0,2,0,0,0,0|2,0,0]=4 28149 B13R1.656 CCCCSc1cc(ccc1Cl)O 62a_100000049588_100000210210 [0,2,0,0,0,0|2,0,0]=4 28150 B13R1.656 CCCCSc1cc(ccc1Cl)O 62a_100000210211_100000049588 [0,2,0,0,0,0|2,0,0]=4 28151 B13R1.656 CCCCSc1cc(ccc1F)Br 62a_100000210211_100011217312 [0,2,0,0,0,0|2,0,0]=4 28152 B13R1.656 CCCCSc1cc(ccc1F)Br 62a_100011217312_100000210210 [0,2,0,0,0,0|2,0,0]=4 28153 B13R1.656 CCCCSc1cc(ccc1F)C 62a_100000210211_100000736223 [0,2,0,0,0,0|2,0,0]=4 28154 B13R1.656 CCCCSc1cc(ccc1F)C 62a_100000736223_100000210210 [0,2,0,0,0,0|2,0,0]=4 28155 B13R1.656 CCCCSc1cc(ccc1F)Cl 62a_100000210211_100011218116 [0,2,0,0,0,0|2,0,0]=4 28156 B13R1.656 CCCCSc1cc(ccc1F)Cl 62a_100011218116_100000210210 [0,2,0,0,0,0|2,0,0]=4 28157 B13R1.656 CCCCSc1cc(ccc1F)F 62a_100000210211_100011219198 [0,2,0,0,0,0|2,0,0]=4 28158 B13R1.656 CCCCSc1cc(ccc1F)F 62a_100011219198_100000210210 [0,2,0,0,0,0|2,0,0]=4 28159 B13R1.656 CCCCSc1cc(ccc1F)N 62a_100000210211_100000760356 [0,2,0,0,0,0|2,0,0]=4 28160 B13R1.656 CCCCSc1cc(ccc1F)N 62a_100000760356_100000210210 [0,2,0,0,0,0|2,0,0]=4 28161 B13R1.656 CCCCSc1cc(ccc1F)O 62a_100000210211_100000693481 [0,2,0,0,0,0|2,0,0]=4 28162 B13R1.656 CCCCSc1cc(ccc1F)O 62a_100000693481_100000210210 [0,2,0,0,0,0|2,0,0]=4 28163 B13R1.656 CCCCSc1cc(ccc1N)Br 62a_100000187925_100000210210 [0,2,0,0,0,0|2,0,0]=4 28164 B13R1.656 CCCCSc1cc(ccc1N)Br 62a_100000210211_100000187925 [0,2,0,0,0,0|2,0,0]=4 28165 B13R1.656 CCCCSc1cc(ccc1N)C 62a_100000210211_100011356834 [0,2,0,0,0,0|2,0,0]=4 28166 B13R1.656 CCCCSc1cc(ccc1N)C 62a_100011356834_100000210210 [0,2,0,0,0,0|2,0,0]=4 28167 B13R1.656 CCCCSc1cc(ccc1N)Cl 62a_100000210211_100000761889 [0,2,0,0,0,0|2,0,0]=4 28168 B13R1.656 CCCCSc1cc(ccc1N)Cl 62a_100000761889_100000210210 [0,2,0,0,0,0|2,0,0]=4 28169 B13R1.656 CCCCSc1cc(ccc1N)F 62a_100000210211_100000760547 [0,2,0,0,0,0|2,0,0]=4 28170 B13R1.656 CCCCSc1cc(ccc1N)F 62a_100000760547_100000210210 [0,2,0,0,0,0|2,0,0]=4 28171 B13R1.656 CCCCSc1cc(ccc1N)N 62a_100000210211_100011534242 [0,2,0,0,0,0|2,0,0]=4 28172 B13R1.656 CCCCSc1cc(ccc1N)N 62a_100011534242_100000210210 [0,2,0,0,0,0|2,0,0]=4 28173 B13R1.656 CCCCSc1cc(ccc1N)O 62a_100000210211_100012001276 [0,2,0,0,0,0|2,0,0]=4 28174 B13R1.656 CCCCSc1cc(ccc1N)O 62a_100012001276_100000210210 [0,2,0,0,0,0|2,0,0]=4 28175 B13R1.656 CCCCSc1cc(ccc1O)Br 62a_100000210211_100012355227 [0,2,0,0,0,0|2,0,0]=4 28176 B13R1.656 CCCCSc1cc(ccc1O)Br 62a_100012355227_100000210210 [0,2,0,0,0,0|2,0,0]=4 28177 B13R1.656 CCCCSc1cc(ccc1O)C 62a_100000210211_100000765521 [0,2,0,0,0,0|2,0,0]=4 28178 B13R1.656 CCCCSc1cc(ccc1O)C 62a_100000765521_100000210210 [0,2,0,0,0,0|2,0,0]=4 28179 B13R1.656 CCCCSc1cc(ccc1O)Cl 62a_100000210211_100011356953 [0,2,0,0,0,0|2,0,0]=4 28180 B13R1.656 CCCCSc1cc(ccc1O)Cl 62a_100011356953_100000210210 [0,2,0,0,0,0|2,0,0]=4 28181 B13R1.656 CCCCSc1cc(ccc1O)F 62a_100000210211_100000211999 [0,2,0,0,0,0|2,0,0]=4 28182 B13R1.656 CCCCSc1cc(ccc1O)F 62a_100000211999_100000210210 [0,2,0,0,0,0|2,0,0]=4 28183 B13R1.656 CCCCSc1cc(ccc1O)N 62a_100000210211_100011534360 [0,2,0,0,0,0|2,0,0]=4 28184 B13R1.656 CCCCSc1cc(ccc1O)N 62a_100011534360_100000210210 [0,2,0,0,0,0|2,0,0]=4 28185 B13R1.656 CCCCSc1cc(ccc1O)O 62a_100000210211_100009813629 [0,2,0,0,0,0|2,0,0]=4 28186 B13R1.656 CCCCSc1nc(c[nH]c1=O)C 62a_100000210211_100009858157 [0,2,0,0,0,0|2,0,0]=4 28187 B13R1.656 CCCCSc1nc(c[nH]c1=O)C 62a_100009858157_100000210210 [0,2,0,0,0,0|2,0,0]=4 28188 B13R1.656 CCCCSc1nc(ccc1Br)N 62a_100000210211_100010192275 [0,2,0,0,0,0|1,0,0]=3 28189 B13R1.656 CCCCSc1nc(ccc1Br)N 62a_100010192275_100000210210 [0,2,0,0,0,0|1,0,0]=3 28190 B13R1.656 CCCCSc1nc(ccc1C)C 62a_100000210211_100009854376 [0,2,0,0,0,0|1,0,0]=3 28191 B13R1.656 CCCCSc1nc(ccc1C)C 62a_100009854376_100000210210 [0,2,0,0,0,0|1,0,0]=3 28192 B13R1.656 CCCCSc1nc(ccc1C)N 62a_100000126722_100000210210 [0,2,0,0,0,0|1,0,0]=3 28193 B13R1.656 CCCCSc1nc(ccc1C)N 62a_100000210211_100000126722 [0,2,0,0,0,0|1,0,0]=3 28194 B13R1.656 CCCCSc1nc(ccc1F)C 62a_100000210211_100009817602 [0,2,0,0,0,0|1,0,0]=3 28195 B13R1.656 CCCCSc1nc(ccc1F)C 62a_100009817602_100000210210 [0,2,0,0,0,0|1,0,0]=3 28196 B13R1.656 CCCCSc1nc(ccc1F)Cl 62a_100000210211_100010136221 [0,2,0,0,0,0|1,0,0]=3 28197 B13R1.656 CCCCSc1nc(ccc1F)Cl 62a_100010136221_100000210210 [0,2,0,0,0,0|1,0,0]=3 28198 B13R1.656 CCCCSc1nc(ccc1F)F 62a_100000210211_100010997973 [0,2,0,0,0,0|1,0,0]=3 28199 B13R1.656 CCCCSc1nc(ccc1F)F 62a_100010997973_100000210210 [0,2,0,0,0,0|1,0,0]=3 28200 B13R1.656 CCCCSc1nc(ccc1F)N 62a_100000210211_100010892222 [0,2,0,0,0,0|1,0,0]=3 28201 B13R1.656 CCCCSc1nc(ccc1F)N 62a_100010892222_100000210210 [0,2,0,0,0,0|1,0,0]=3 28202 B13R1.656 CCCCSc1nc(ccc1N)Br 62a_100000210211_100010168765 [0,2,0,0,0,0|1,0,0]=3 28203 B13R1.656 CCCCSc1nc(ccc1N)Br 62a_100010168765_100000210210 [0,2,0,0,0,0|1,0,0]=3 28204 B13R1.656 CCCCSc1nc(ccc1N)C 62a_100000210211_100000685570 [0,2,0,0,0,0|1,0,0]=3 28205 B13R1.656 CCCCSc1nc(ccc1N)C 62a_100000685570_100000210210 [0,2,0,0,0,0|1,0,0]=3 28206 B13R1.656 CCCCSc1nc(ccc1N)Cl 62a_100000210211_100010233647 [0,2,0,0,0,0|1,0,0]=3 28207 B13R1.656 CCCCSc1nc(ccc1N)Cl 62a_100010233647_100000210210 [0,2,0,0,0,0|1,0,0]=3 28208 B13R1.656 CCCCSc1nc(ccc1N)F 62a_100000210211_100009879877 [0,2,0,0,0,0|1,0,0]=3 28209 B13R1.656 CCCCSc1nc(ccc1N)F 62a_100009879877_100000210210 [0,2,0,0,0,0|1,0,0]=3 28210 B13R1.656 CCCCSc1nc(ccc1N)N 62a_100000210211_200009884323 [0,2,0,0,0,0|1,0,0]=3 28211 B13R1.656 CCCCSc1nc(ccc1N)N 62a_200009884323_100000210210 [0,2,0,0,0,0|1,0,0]=3 28212 B13R1.656 CCCCSc1nc(ccc1O)Br 62a_100000210211_100010253912 [0,2,0,0,0,0|1,0,0]=3 28213 B13R1.656 CCCCSc1nc(ccc1O)Br 62a_100010253912_100000210210 [0,2,0,0,0,0|1,0,0]=3 28214 B13R1.656 CCCCSc1nc(ccc1O)C 62a_100000210211_100000702858 [0,2,0,0,0,0|1,0,0]=3 28215 B13R1.656 CCCCSc1nc(ccc1O)C 62a_100000702858_100000210210 [0,2,0,0,0,0|1,0,0]=3 28216 B13R1.656 CCCCSc1nc(ccc1O)Cl 62a_100000210211_100000696390 [0,2,0,0,0,0|1,0,0]=3 28217 B13R1.656 CCCCSc1nc(ccc1O)F 62a_100000210211_100010382442 [0,2,0,0,0,0|1,0,0]=3 28218 B13R1.656 CCCCSc1nc(ccc1O)F 62a_100010382442_100000210210 [0,2,0,0,0,0|1,0,0]=3 28219 B13R1.656 CCCCSc1nc(cnc1C)C 62a_100000210211_100000211308 [0,2,0,0,0,0|2,0,0]=4 28220 B13R1.656 CCCCSc1nc(cnc1C)C 62a_100000211308_100000210210 [0,2,0,0,0,0|2,0,0]=4 28221 B13R1.656 CCCCSc1nc(cnc1C)N 62a_100000210211_100009877824 [0,2,0,0,0,0|2,0,0]=4 28222 B13R1.656 CCCCSc1nc(cnc1C)N 62a_100009877824_100000210210 [0,2,0,0,0,0|2,0,0]=4 28223 B13R1.656 CCCCSc1nc(cnc1N)Br 62a_100000210211_100010988662 [0,2,0,0,0,0|2,0,0]=4 28224 B13R1.656 CCCCSc1nc(cnc1N)Br 62a_100010988662_100000210210 [0,2,0,0,0,0|2,0,0]=4 28225 B13R1.656 CCCCSc1nc(cnc1N)C 62a_100000210211_100009819049 [0,2,0,0,0,0|2,0,0]=4 28226 B13R1.656 CCCCSc1nc(cnc1N)C 62a_100009819049_100000210210 [0,2,0,0,0,0|2,0,0]=4 28227 B13R1.656 CCCCSc1nc(ncc1C)N 62a_100000016107_100000210210 [0,2,0,0,0,0|2,0,0]=4 28228 B13R1.656 CCCCSc1nc(ncc1C)N 62a_100000210211_100000016107 [0,2,0,0,0,0|2,0,0]=4 28229 B13R1.656 CCCCSc1nc(ncc1F)C 62a_100000059819_100000210210 [0,2,0,0,0,0|2,0,0]=4 28230 B13R1.656 CCCCSc1nc(ncc1F)C 62a_100000210211_100000059819 [0,2,0,0,0,0|2,0,0]=4 28231 B13R1.656 CCCCSc1nc(ncc1F)N 62a_100000210211_200000093006 [0,2,0,0,0,0|2,0,0]=4 28232 B13R1.656 CCCCSc1nc(ncc1F)N 62a_200000093006_100000210210 [0,2,0,0,0,0|2,0,0]=4 28233 B13R1.656 CCCCSc1nc(ncc1N)C 62a_100000210211_100009873743 [0,2,0,0,0,0|2,0,0]=4 28234 B13R1.656 CCCCSc1nc(ncc1N)C 62a_100009873743_100000210210 [0,2,0,0,0,0|2,0,0]=4 28235 B13R1.656 CCCNCc1cc(ccc1Br)Br 207a_100020643023_100011266429 [0,2,0,0,0,0|2,0,0]=4 28236 B13R1.656 CCCNCc1cc(ccc1Br)Br 270004a_100020643023_100011266429 [0,2,0,0,0,0|2,0,0]=4 28237 B13R1.656 CCCNCc1cc(ccc1Br)Br 34a_100000707832_100000210303 [0,2,0,0,0,0|2,0,0]=4 28238 B13R1.656 CCCNCc1cc(ccc1Br)C 207a_100020643023_100011551863 [0,2,0,0,0,0|2,0,0]=4 28239 B13R1.656 CCCNCc1cc(ccc1Br)C 270004a_100020643023_100011551863 [0,2,0,0,0,0|2,0,0]=4 28240 B13R1.656 CCCNCc1cc(ccc1Br)Cl 207a_100020643023_100000746314 [0,2,0,0,0,0|2,0,0]=4 28241 B13R1.656 CCCNCc1cc(ccc1Br)Cl 270004a_100020643023_100000746314 [0,2,0,0,0,0|2,0,0]=4 28242 B13R1.656 CCCNCc1cc(ccc1Br)F 207a_100020643023_100000766564 [0,2,0,0,0,0|2,0,0]=4 28243 B13R1.656 CCCNCc1cc(ccc1Br)F 2230a_100000742738_100000210303 [0,2,0,0,0,0|2,0,0]=4 28244 B13R1.656 CCCNCc1cc(ccc1Br)F 270004a_100020643023_100000766564 [0,2,0,0,0,0|2,0,0]=4 28245 B13R1.656 CCCNCc1cc(ccc1Br)F 34a_100000742738_100000210303 [0,2,0,0,0,0|2,0,0]=4 28246 B13R1.656 CCCNCc1cc(ccc1Br)I 207a_100020643023_100010185652 [0,2,0,0,0,0|2,0,0]=4 28247 B13R1.656 CCCNCc1cc(ccc1C)Br 207a_100020643023_100011361606 [0,2,0,0,0,0|2,0,0]=4 28248 B13R1.656 CCCNCc1cc(ccc1C)Br 270004a_100020643023_100011361606 [0,2,0,0,0,0|2,0,0]=4 28249 B13R1.656 CCCNCc1cc(ccc1C)C 207a_100020643023_100000211343 [0,2,0,0,0,0|2,0,0]=4 28250 B13R1.656 CCCNCc1cc(ccc1C)C 270004a_100020643023_100000211343 [0,2,0,0,0,0|2,0,0]=4 28251 B13R1.656 CCCNCc1cc(ccc1C)C 34a_100000174964_100000210303 [0,2,0,0,0,0|2,0,0]=4 28252 B13R1.656 CCCNCc1cc(ccc1C)Cl 207a_100020643023_100011551331 [0,2,0,0,0,0|2,0,0]=4 28253 B13R1.656 CCCNCc1cc(ccc1C)Cl 270004a_100020643023_100011551331 [0,2,0,0,0,0|2,0,0]=4 28254 B13R1.656 CCCNCc1cc(ccc1C)Cl 34a_100000717755_100000210303 [0,2,0,0,0,0|2,0,0]=4 28255 B13R1.656 CCCNCc1cc(ccc1C)F 207a_100020643023_100000697687 [0,2,0,0,0,0|2,0,0]=4 28256 B13R1.656 CCCNCc1cc(ccc1C)F 270004a_100020643023_100000697687 [0,2,0,0,0,0|2,0,0]=4 28257 B13R1.656 CCCNCc1cc(ccc1C)F 34a_100011217291_100000210303 [0,2,0,0,0,0|2,0,0]=4 28258 B13R1.656 CCCNCc1cc(ccc1C)O 34a_200009844824_100000210303 [0,2,0,0,0,0|2,0,0]=4 28259 B13R1.656 CCCNCc1cc(ccc1Cl)Br 207a_100020643023_100000746309 [0,2,0,0,0,0|2,0,0]=4 28260 B13R1.656 CCCNCc1cc(ccc1Cl)Br 270004a_100020643023_100000746309 [0,2,0,0,0,0|2,0,0]=4 28261 B13R1.656 CCCNCc1cc(ccc1Cl)Br 34a_100025772652_100000210303 [0,2,0,0,0,0|2,0,0]=4 28262 B13R1.656 CCCNCc1cc(ccc1Cl)C 207a_100020643023_100011551332 [0,2,0,0,0,0|2,0,0]=4 28263 B13R1.656 CCCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210303 [0,2,0,0,0,0|2,0,0]=4 28264 B13R1.656 CCCNCc1cc(ccc1Cl)C 270004a_100020643023_100011551332 [0,2,0,0,0,0|2,0,0]=4 28265 B13R1.656 CCCNCc1cc(ccc1Cl)C 34a_100025705715_100000210303 [0,2,0,0,0,0|2,0,0]=4 28266 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 207a_100020643023_100000746308 [0,2,0,0,0,0|2,0,0]=4 28267 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 270004a_100020643023_100000746308 [0,2,0,0,0,0|2,0,0]=4 28268 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000210303 [0,2,0,0,0,0|2,0,0]=4 28269 B13R1.656 CCCNCc1cc(ccc1Cl)F 207a_100020643023_100011218309 [0,2,0,0,0,0|2,0,0]=4 28270 B13R1.656 CCCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210303 [0,2,0,0,0,0|2,0,0]=4 28271 B13R1.656 CCCNCc1cc(ccc1Cl)F 270004a_100020643023_100011218309 [0,2,0,0,0,0|2,0,0]=4 28272 B13R1.656 CCCNCc1cc(ccc1Cl)F 34a_100011830483_100000210303 [0,2,0,0,0,0|2,0,0]=4 28273 B13R1.656 CCCNCc1cc(ccc1Cl)I 207a_100020643023_100010254384 [0,2,0,0,0,0|2,0,0]=4 28274 B13R1.656 CCCNCc1cc(ccc1F)Br 207a_100020643023_100000211465 [0,2,0,0,0,0|2,0,0]=4 28275 B13R1.656 CCCNCc1cc(ccc1F)Br 270004a_100020643023_100000211465 [0,2,0,0,0,0|2,0,0]=4 28276 B13R1.656 CCCNCc1cc(ccc1F)Br 34a_100009815772_100000210303 [0,2,0,0,0,0|2,0,0]=4 28277 B13R1.656 CCCNCc1cc(ccc1F)C 207a_100020643023_100000756917 [0,2,0,0,0,0|2,0,0]=4 28278 B13R1.656 CCCNCc1cc(ccc1F)C 270004a_100020643023_100000756917 [0,2,0,0,0,0|2,0,0]=4 28279 B13R1.656 CCCNCc1cc(ccc1F)C 34a_100102693586_100000210303 [0,2,0,0,0,0|2,0,0]=4 28280 B13R1.656 CCCNCc1cc(ccc1F)Cl 207a_100020643023_100000745245 [0,2,0,0,0,0|2,0,0]=4 28281 B13R1.656 CCCNCc1cc(ccc1F)Cl 270004a_100020643023_100000745245 [0,2,0,0,0,0|2,0,0]=4 28282 B13R1.656 CCCNCc1cc(ccc1F)Cl 34a_100011211646_100000210303 [0,2,0,0,0,0|2,0,0]=4 28283 B13R1.656 CCCNCc1cc(ccc1F)F 207a_100020643023_100000740046 [0,2,0,0,0,0|2,0,0]=4 28284 B13R1.656 CCCNCc1cc(ccc1F)F 270004a_100020643023_100000740046 [0,2,0,0,0,0|2,0,0]=4 28285 B13R1.656 CCCNCc1cc(ccc1F)F 34a_100000752317_100000210303 [0,2,0,0,0,0|2,0,0]=4 28286 B13R1.656 CCCNCc1cc(ccc1F)I 207a_100020643023_100000050626 [0,2,0,0,0,0|2,0,0]=4 28287 B13R1.656 CCCNCc1cc(ccc1I)Br 207a_100020643023_100010185651 [0,2,0,0,0,0|2,0,0]=4 28288 B13R1.656 CCCNCc1cc(ccc1I)Br 270004a_100020643023_100010185651 [0,2,0,0,0,0|2,0,0]=4 28289 B13R1.656 CCCNCc1cc(ccc1I)C 207a_100020643023_100010150105 [0,2,0,0,0,0|2,0,0]=4 28290 B13R1.656 CCCNCc1cc(ccc1I)C 270004a_100020643023_100010150105 [0,2,0,0,0,0|2,0,0]=4 28291 B13R1.656 CCCNCc1cc(ccc1I)Cl 207a_100020643023_100010254386 [0,2,0,0,0,0|2,0,0]=4 28292 B13R1.656 CCCNCc1cc(ccc1I)Cl 270004a_100020643023_100010254386 [0,2,0,0,0,0|2,0,0]=4 28293 B13R1.656 CCCNCc1cc(ccc1I)F 207a_100020643023_100010186294 [0,2,0,0,0,0|2,0,0]=4 28294 B13R1.656 CCCNCc1cc(ccc1I)F 270004a_100020643023_100010186294 [0,2,0,0,0,0|2,0,0]=4 28295 B13R1.656 CCCNCc1cc(ccc1O)Br 34a_100000730032_100000210303 [0,2,0,0,0,0|2,0,0]=4 28296 B13R1.656 CCCNCc1cc(ccc1O)Cl 34a_100000238540_100000210303 [0,2,0,0,0,0|2,0,0]=4 28297 B13R1.656 CCCNCc1nc(ccc1Br)C 207a_100020643023_100010173661 [0,2,0,0,0,0|1,0,0]=3 28298 B13R1.656 CCCNCc1nc(ccc1Br)C 270004a_100020643023_100010173661 [0,2,0,0,0,0|1,0,0]=3 28299 B13R1.656 CCCNCc1nc(ccc1Br)Cl 270004a_100020643023_100000734296 [0,2,0,0,0,0|1,0,0]=3 28300 B13R1.656 CCCNCc1nc(ccc1Cl)Cl 270004a_100020643023_100011935248 [0,2,0,0,0,0|1,0,0]=3 28301 B13R1.656 CCCNCc1nc(ccc1F)Br 270004a_100020643023_100009814804 [0,2,0,0,0,0|1,0,0]=3 28302 B13R1.656 CCCNCc1nc(ccc1F)Cl 2230a_100009887702_100000210303 [0,2,0,0,0,0|1,0,0]=3 28303 B13R1.656 CCCNCc1nc(ccc1F)Cl 270004a_100020643023_100000050918 [0,2,0,0,0,0|1,0,0]=3 28304 B13R1.656 CCCNCc1nc(ccc1F)Cl 34a_100009887702_100000210303 [0,2,0,0,0,0|1,0,0]=3 28305 B13R1.656 CCCOCc1cc(ccc1Br)Br 34a_100000210258_100011982794 [0,2,0,0,0,0|2,0,0]=4 28306 B13R1.656 CCCOCc1cc(ccc1Br)Br 34a_100011266457_100000210303 [0,2,0,0,0,0|2,0,0]=4 28307 B13R1.656 CCCOCc1cc(ccc1Br)Br 7a_100011266457_100000210303 [0,2,0,0,0,0|2,0,0]=4 28308 B13R1.656 CCCOCc1cc(ccc1Br)C 34a_100012361352_100000210303 [0,2,0,0,0,0|2,0,0]=4 28309 B13R1.656 CCCOCc1cc(ccc1Br)C 7a_100012361352_100000210303 [0,2,0,0,0,0|2,0,0]=4 28310 B13R1.656 CCCOCc1cc(ccc1Br)Cl 34a_100000210258_100000733903 [0,2,0,0,0,0|2,0,0]=4 28311 B13R1.656 CCCOCc1cc(ccc1Br)Cl 34a_100012355668_100000210303 [0,2,0,0,0,0|2,0,0]=4 28312 B13R1.656 CCCOCc1cc(ccc1Br)Cl 7a_100012355668_100000210303 [0,2,0,0,0,0|2,0,0]=4 28313 B13R1.656 CCCOCc1cc(ccc1Br)F 34a_100000210258_100000736370 [0,2,0,0,0,0|2,0,0]=4 28314 B13R1.656 CCCOCc1cc(ccc1Br)F 34a_100011217561_100000210303 [0,2,0,0,0,0|2,0,0]=4 28315 B13R1.656 CCCOCc1cc(ccc1Br)F 7a_100011217561_100000210303 [0,2,0,0,0,0|2,0,0]=4 28316 B13R1.656 CCCOCc1cc(ccc1Br)I 34a_100000210258_100012355412 [0,2,0,0,0,0|2,0,0]=4 28317 B13R1.656 CCCOCc1cc(ccc1Br)I 7a_100012359683_100000210303 [0,2,0,0,0,0|2,0,0]=4 28318 B13R1.656 CCCOCc1cc(ccc1Br)N 34a_100012347228_100000210303 [0,2,0,0,0,0|2,0,0]=4 28319 B13R1.656 CCCOCc1cc(ccc1C)Br 34a_100000700630_100000210303 [0,2,0,0,0,0|2,0,0]=4 28320 B13R1.656 CCCOCc1cc(ccc1C)Br 7a_100000700630_100000210303 [0,2,0,0,0,0|2,0,0]=4 28321 B13R1.656 CCCOCc1cc(ccc1C)C 34a_100000210258_100000184699 [0,2,0,0,0,0|2,0,0]=4 28322 B13R1.656 CCCOCc1cc(ccc1C)C 34a_200011215349_100000210303 [0,2,0,0,0,0|2,0,0]=4 28323 B13R1.656 CCCOCc1cc(ccc1C)C 7a_200011215349_100000210303 [0,2,0,0,0,0|2,0,0]=4 28324 B13R1.656 CCCOCc1cc(ccc1C)Cl 34a_100000210258_100012186985 [0,2,0,0,0,0|2,0,0]=4 28325 B13R1.656 CCCOCc1cc(ccc1C)Cl 34a_100012002407_100000210303 [0,2,0,0,0,0|2,0,0]=4 28326 B13R1.656 CCCOCc1cc(ccc1C)Cl 7a_100012002407_100000210303 [0,2,0,0,0,0|2,0,0]=4 28327 B13R1.656 CCCOCc1cc(ccc1C)F 34a_100000210258_100000709795 [0,2,0,0,0,0|2,0,0]=4 28328 B13R1.656 CCCOCc1cc(ccc1C)F 34a_100011219218_100000210303 [0,2,0,0,0,0|2,0,0]=4 28329 B13R1.656 CCCOCc1cc(ccc1C)F 7a_100011219218_100000210303 [0,2,0,0,0,0|2,0,0]=4 28330 B13R1.656 CCCOCc1cc(ccc1C)I 34a_100010150140_100000210303 [0,2,0,0,0,0|2,0,0]=4 28331 B13R1.656 CCCOCc1cc(ccc1C)I 7a_100010150140_100000210303 [0,2,0,0,0,0|2,0,0]=4 28332 B13R1.656 CCCOCc1cc(ccc1Cl)Br 34a_100000210258_100000763347 [0,2,0,0,0,0|2,0,0]=4 28333 B13R1.656 CCCOCc1cc(ccc1Cl)Br 34a_100011215897_100000210303 [0,2,0,0,0,0|2,0,0]=4 28334 B13R1.656 CCCOCc1cc(ccc1Cl)Br 7a_100011215897_100000210303 [0,2,0,0,0,0|2,0,0]=4 28335 B13R1.656 CCCOCc1cc(ccc1Cl)C 34a_100000210258_100009871730 [0,2,0,0,0,0|2,0,0]=4 28336 B13R1.656 CCCOCc1cc(ccc1Cl)C 34a_100009878994_100000210303 [0,2,0,0,0,0|2,0,0]=4 28337 B13R1.656 CCCOCc1cc(ccc1Cl)C 7a_100009878994_100000210303 [0,2,0,0,0,0|2,0,0]=4 28338 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 34a_100000210258_100000756322 [0,2,0,0,0,0|2,0,0]=4 28339 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000210303 [0,2,0,0,0,0|2,0,0]=4 28340 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000210303 [0,2,0,0,0,0|2,0,0]=4 28341 B13R1.656 CCCOCc1cc(ccc1Cl)F 34a_100000210258_100000709952 [0,2,0,0,0,0|2,0,0]=4 28342 B13R1.656 CCCOCc1cc(ccc1Cl)F 34a_100011218361_100000210303 [0,2,0,0,0,0|2,0,0]=4 28343 B13R1.656 CCCOCc1cc(ccc1Cl)F 7a_100011218361_100000210303 [0,2,0,0,0,0|2,0,0]=4 28344 B13R1.656 CCCOCc1cc(ccc1Cl)I 34a_100000210258_100010188191 [0,2,0,0,0,0|2,0,0]=4 28345 B13R1.656 CCCOCc1cc(ccc1Cl)I 34a_100010128486_100000210303 [0,2,0,0,0,0|2,0,0]=4 28346 B13R1.656 CCCOCc1cc(ccc1Cl)I 7a_100010128486_100000210303 [0,2,0,0,0,0|2,0,0]=4 28347 B13R1.656 CCCOCc1cc(ccc1Cl)N 34a_100011273577_100000210303 [0,2,0,0,0,0|2,0,0]=4 28348 B13R1.656 CCCOCc1cc(ccc1F)Br 34a_100000210258_100000736399 [0,2,0,0,0,0|2,0,0]=4 28349 B13R1.656 CCCOCc1cc(ccc1F)Br 34a_100000246282_100000210303 [0,2,0,0,0,0|2,0,0]=4 28350 B13R1.656 CCCOCc1cc(ccc1F)Br 7a_100000246282_100000210303 [0,2,0,0,0,0|2,0,0]=4 28351 B13R1.656 CCCOCc1cc(ccc1F)C 34a_100000210258_100011260760 [0,2,0,0,0,0|2,0,0]=4 28352 B13R1.656 CCCOCc1cc(ccc1F)C 34a_100011692775_100000210303 [0,2,0,0,0,0|2,0,0]=4 28353 B13R1.656 CCCOCc1cc(ccc1F)C 7a_100011692775_100000210303 [0,2,0,0,0,0|2,0,0]=4 28354 B13R1.656 CCCOCc1cc(ccc1F)Cl 34a_100000210258_100000716957 [0,2,0,0,0,0|2,0,0]=4 28355 B13R1.656 CCCOCc1cc(ccc1F)Cl 34a_100011217248_100000210303 [0,2,0,0,0,0|2,0,0]=4 28356 B13R1.656 CCCOCc1cc(ccc1F)Cl 7a_100011217248_100000210303 [0,2,0,0,0,0|2,0,0]=4 28357 B13R1.656 CCCOCc1cc(ccc1F)F 34a_100000210258_100000741279 [0,2,0,0,0,0|2,0,0]=4 28358 B13R1.656 CCCOCc1cc(ccc1F)F 34a_100011217725_100000210303 [0,2,0,0,0,0|2,0,0]=4 28359 B13R1.656 CCCOCc1cc(ccc1F)F 7a_100011217725_100000210303 [0,2,0,0,0,0|2,0,0]=4 28360 B13R1.656 CCCOCc1cc(ccc1F)I 34a_100000049604_100000210303 [0,2,0,0,0,0|2,0,0]=4 28361 B13R1.656 CCCOCc1cc(ccc1F)I 34a_100000210258_200010149601 [0,2,0,0,0,0|2,0,0]=4 28362 B13R1.656 CCCOCc1cc(ccc1F)I 7a_100000049604_100000210303 [0,2,0,0,0,0|2,0,0]=4 28363 B13R1.656 CCCOCc1cc(ccc1F)N 34a_100011218011_100000210303 [0,2,0,0,0,0|2,0,0]=4 28364 B13R1.656 CCCOCc1cc(ccc1I)Br 34a_100000210258_100012362523 [0,2,0,0,0,0|2,0,0]=4 28365 B13R1.656 CCCOCc1cc(ccc1I)Br 34a_100011356890_100000210303 [0,2,0,0,0,0|2,0,0]=4 28366 B13R1.656 CCCOCc1cc(ccc1I)Br 7a_100011356890_100000210303 [0,2,0,0,0,0|2,0,0]=4 28367 B13R1.656 CCCOCc1cc(ccc1I)Cl 34a_100000210258_100012348826 [0,2,0,0,0,0|2,0,0]=4 28368 B13R1.656 CCCOCc1cc(ccc1I)F 34a_100000210258_100010149606 [0,2,0,0,0,0|2,0,0]=4 28369 B13R1.656 CCCOCc1cc(ccc1I)F 34a_100010255287_100000210303 [0,2,0,0,0,0|2,0,0]=4 28370 B13R1.656 CCCOCc1cc(ccc1I)F 7a_100010255287_100000210303 [0,2,0,0,0,0|2,0,0]=4 28371 B13R1.656 CCCOCc1cc(ccc1N)Br 34a_100012353972_100000210303 [0,2,0,0,0,0|2,0,0]=4 28372 B13R1.656 CCCOCc1cc(ccc1N)Br 7a_100012353972_100000210303 [0,2,0,0,0,0|2,0,0]=4 28373 B13R1.656 CCCOCc1cc(ccc1N)C 34a_100011215565_100000210303 [0,2,0,0,0,0|2,0,0]=4 28374 B13R1.656 CCCOCc1cc(ccc1N)C 7a_100011215565_100000210303 [0,2,0,0,0,0|2,0,0]=4 28375 B13R1.656 CCCOCc1cc(ccc1N)Cl 34a_100011214999_100000210303 [0,2,0,0,0,0|2,0,0]=4 28376 B13R1.656 CCCOCc1cc(ccc1N)Cl 7a_100011214999_100000210303 [0,2,0,0,0,0|2,0,0]=4 28377 B13R1.656 CCCOCc1cc(ccc1N)F 34a_100011296978_100000210303 [0,2,0,0,0,0|2,0,0]=4 28378 B13R1.656 CCCOCc1cc(ccc1N)F 7a_100011296978_100000210303 [0,2,0,0,0,0|2,0,0]=4 28379 B13R1.656 CCCOCc1cc(ccc1O)F 34a_100000210258_100010161318 [0,2,0,0,0,0|2,0,0]=4 28380 B13R1.656 CCCOCc1nc(ccc1Br)Br 34a_200010065229_100000210303 [0,2,0,0,0,0|1,0,0]=3 28381 B13R1.656 CCCOCc1nc(ccc1Br)Br 7a_200010065229_100000210303 [0,2,0,0,0,0|1,0,0]=3 28382 B13R1.656 CCCOCc1nc(ccc1Br)C 34a_100010074375_100000210303 [0,2,0,0,0,0|1,0,0]=3 28383 B13R1.656 CCCOCc1nc(ccc1Br)Cl 34a_100010244999_100000210303 [0,2,0,0,0,0|1,0,0]=3 28384 B13R1.656 CCCOCc1nc(ccc1Br)F 34a_100000701195_100000210303 [0,2,0,0,0,0|1,0,0]=3 28385 B13R1.656 CCCOCc1nc(ccc1Cl)C 34a_100000210258_200009852033 [0,2,0,0,0,0|1,0,0]=3 28386 B13R1.656 CCCOCc1nc(ccc1Cl)Cl 34a_100000210258_100000059412 [0,2,0,0,0,0|1,0,0]=3 28387 B13R1.656 CCCOCc1nc(ccc1Cl)Cl 34a_100000749784_100000210303 [0,2,0,0,0,0|1,0,0]=3 28388 B13R1.656 CCCOCc1nc(ccc1F)Br 34a_100000210258_100010065826 [0,2,0,0,0,0|1,0,0]=3 28389 B13R1.656 CCCOCc1nc(ccc1F)Cl 34a_100000210258_100009881012 [0,2,0,0,0,0|1,0,0]=3 28390 B13R1.656 CCCOCc1nc(ccc1O)C 34a_100000210258_100020630696 [0,2,0,0,0,0|1,0,0]=3 28391 B13R1.656 CCCSCc1cc(ccc1Br)Br 62a_100000210303_100011982794 [0,2,0,0,0,0|2,0,0]=4 28392 B13R1.656 CCCSCc1cc(ccc1Br)Br 62a_100011982794_100000210303 [0,2,0,0,0,0|2,0,0]=4 28393 B13R1.656 CCCSCc1cc(ccc1Br)Cl 62a_100000210303_100000733903 [0,2,0,0,0,0|2,0,0]=4 28394 B13R1.656 CCCSCc1cc(ccc1Br)Cl 62a_100000733903_100000210303 [0,2,0,0,0,0|2,0,0]=4 28395 B13R1.656 CCCSCc1cc(ccc1Br)F 62a_100000210303_100000736370 [0,2,0,0,0,0|2,0,0]=4 28396 B13R1.656 CCCSCc1cc(ccc1Br)F 62a_100000736370_100000210303 [0,2,0,0,0,0|2,0,0]=4 28397 B13R1.656 CCCSCc1cc(ccc1Br)I 62a_100000210303_100012355412 [0,2,0,0,0,0|2,0,0]=4 28398 B13R1.656 CCCSCc1cc(ccc1Br)I 62a_100012355412_100000210303 [0,2,0,0,0,0|2,0,0]=4 28399 B13R1.656 CCCSCc1cc(ccc1C)C 62a_100000184699_100000210303 [0,2,0,0,0,0|2,0,0]=4 28400 B13R1.656 CCCSCc1cc(ccc1C)C 62a_100000210303_100000184699 [0,2,0,0,0,0|2,0,0]=4 28401 B13R1.656 CCCSCc1cc(ccc1C)Cl 62a_100000210303_100012186985 [0,2,0,0,0,0|2,0,0]=4 28402 B13R1.656 CCCSCc1cc(ccc1C)Cl 62a_100012186985_100000210303 [0,2,0,0,0,0|2,0,0]=4 28403 B13R1.656 CCCSCc1cc(ccc1C)F 62a_100000210303_100000709795 [0,2,0,0,0,0|2,0,0]=4 28404 B13R1.656 CCCSCc1cc(ccc1C)F 62a_100000709795_100000210303 [0,2,0,0,0,0|2,0,0]=4 28405 B13R1.656 CCCSCc1cc(ccc1Cl)Br 62a_100000210303_100000763347 [0,2,0,0,0,0|2,0,0]=4 28406 B13R1.656 CCCSCc1cc(ccc1Cl)Br 62a_100000763347_100000210303 [0,2,0,0,0,0|2,0,0]=4 28407 B13R1.656 CCCSCc1cc(ccc1Cl)C 62a_100000210303_100009871730 [0,2,0,0,0,0|2,0,0]=4 28408 B13R1.656 CCCSCc1cc(ccc1Cl)C 62a_100009871730_100000210303 [0,2,0,0,0,0|2,0,0]=4 28409 B13R1.656 CCCSCc1cc(ccc1Cl)Cl 62a_100000210303_100000756322 [0,2,0,0,0,0|2,0,0]=4 28410 B13R1.656 CCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000210303 [0,2,0,0,0,0|2,0,0]=4 28411 B13R1.656 CCCSCc1cc(ccc1Cl)F 62a_100000210303_100000709952 [0,2,0,0,0,0|2,0,0]=4 28412 B13R1.656 CCCSCc1cc(ccc1Cl)F 62a_100000709952_100000210303 [0,2,0,0,0,0|2,0,0]=4 28413 B13R1.656 CCCSCc1cc(ccc1Cl)I 62a_100000210303_100010188191 [0,2,0,0,0,0|2,0,0]=4 28414 B13R1.656 CCCSCc1cc(ccc1Cl)I 62a_100010188191_100000210303 [0,2,0,0,0,0|2,0,0]=4 28415 B13R1.656 CCCSCc1cc(ccc1F)Br 62a_100000210303_100000736399 [0,2,0,0,0,0|2,0,0]=4 28416 B13R1.656 CCCSCc1cc(ccc1F)Br 62a_100000736399_100000210303 [0,2,0,0,0,0|2,0,0]=4 28417 B13R1.656 CCCSCc1cc(ccc1F)C 62a_100000210303_100011260760 [0,2,0,0,0,0|2,0,0]=4 28418 B13R1.656 CCCSCc1cc(ccc1F)C 62a_100011260760_100000210303 [0,2,0,0,0,0|2,0,0]=4 28419 B13R1.656 CCCSCc1cc(ccc1F)Cl 62a_100000210303_100000716957 [0,2,0,0,0,0|2,0,0]=4 28420 B13R1.656 CCCSCc1cc(ccc1F)Cl 62a_100000716957_100000210303 [0,2,0,0,0,0|2,0,0]=4 28421 B13R1.656 CCCSCc1cc(ccc1F)F 62a_100000210303_100000685659 [0,2,0,0,0,0|2,0,0]=4 28422 B13R1.656 CCCSCc1cc(ccc1F)F 62a_100000685659_100000210303 [0,2,0,0,0,0|2,0,0]=4 28423 B13R1.656 CCCSCc1cc(ccc1F)I 62a_100000210303_200010149601 [0,2,0,0,0,0|2,0,0]=4 28424 B13R1.656 CCCSCc1cc(ccc1F)I 62a_200010149601_100000210303 [0,2,0,0,0,0|2,0,0]=4 28425 B13R1.656 CCCSCc1cc(ccc1I)Br 62a_100000210303_100012362523 [0,2,0,0,0,0|2,0,0]=4 28426 B13R1.656 CCCSCc1cc(ccc1I)Br 62a_100012362523_100000210303 [0,2,0,0,0,0|2,0,0]=4 28427 B13R1.656 CCCSCc1cc(ccc1I)Cl 62a_100000210303_100012348826 [0,2,0,0,0,0|2,0,0]=4 28428 B13R1.656 CCCSCc1cc(ccc1I)Cl 62a_100012348826_100000210303 [0,2,0,0,0,0|2,0,0]=4 28429 B13R1.656 CCCSCc1cc(ccc1I)F 62a_100000210303_100010149606 [0,2,0,0,0,0|2,0,0]=4 28430 B13R1.656 CCCSCc1cc(ccc1I)F 62a_100010149606_100000210303 [0,2,0,0,0,0|2,0,0]=4 28431 B13R1.656 CCCSCc1cc(ccc1O)F 62a_100000210303_100010161318 [0,2,0,0,0,0|2,0,0]=4 28432 B13R1.656 CCCSCc1cc(ccc1O)F 62a_100010161318_100000210303 [0,2,0,0,0,0|2,0,0]=4 28433 B13R1.656 CCCSCc1nc(ccc1Cl)C 62a_100000210303_200009852033 [0,2,0,0,0,0|1,0,0]=3 28434 B13R1.656 CCCSCc1nc(ccc1Cl)C 62a_200009852033_100000210303 [0,2,0,0,0,0|1,0,0]=3 28435 B13R1.656 CCCSCc1nc(ccc1Cl)Cl 62a_100000059412_100000210303 [0,2,0,0,0,0|1,0,0]=3 28436 B13R1.656 CCCSCc1nc(ccc1Cl)Cl 62a_100000210303_100000059412 [0,2,0,0,0,0|1,0,0]=3 28437 B13R1.656 CCCSCc1nc(ccc1F)Br 62a_100000210303_100010065826 [0,2,0,0,0,0|1,0,0]=3 28438 B13R1.656 CCCSCc1nc(ccc1F)Br 62a_100010065826_100000210303 [0,2,0,0,0,0|1,0,0]=3 28439 B13R1.656 CCCSCc1nc(ccc1F)Cl 62a_100000210303_100009881012 [0,2,0,0,0,0|1,0,0]=3 28440 B13R1.656 CCCSCc1nc(ccc1F)Cl 62a_100009881012_100000210303 [0,2,0,0,0,0|1,0,0]=3 28441 B13R1.656 CCCSCc1nc(ccc1O)C 62a_100000210303_100020630696 [0,2,0,0,0,0|1,0,0]=3 28442 B13R1.656 CCCSCc1nc(ccc1O)C 62a_100020630696_100000210303 [0,2,0,0,0,0|1,0,0]=3 28443 B13R1.656 CCNCCc1cc(ccc1C)C 2230a_200011485678_100000210202 [0,2,0,0,0,0|2,0,0]=4 28444 B13R1.656 CCNCCc1cc(ccc1C)C 34a_200011485678_100000210202 [0,2,0,0,0,0|2,0,0]=4 28445 B13R1.656 CCNCCc1cc(ccc1Cl)Cl 2230a_100000705354_100000210202 [0,2,0,0,0,0|2,0,0]=4 28446 B13R1.656 CCNCCc1cc(ccc1Cl)Cl 34a_100000705354_100000210202 [0,2,0,0,0,0|2,0,0]=4 28447 B13R1.656 CCNCCc1cc(ccc1F)Cl 2230a_200011997525_100000210202 [0,2,0,0,0,0|2,0,0]=4 28448 B13R1.656 CCNCCc1cc(ccc1F)Cl 34a_200011997525_100000210202 [0,2,0,0,0,0|2,0,0]=4 28449 B13R1.656 CCNCCc1cc(ccc1F)F 2230a_100015525214_100011755056 [0,2,0,0,0,0|2,0,0]=4 28450 B13R1.656 CCOCCc1cc(ccc1Br)Cl 34a_100012426913_100000210202 [0,2,0,0,0,0|2,0,0]=4 28451 B13R1.656 CCOCCc1cc(ccc1Br)Cl 7a_100012426913_100000210202 [0,2,0,0,0,0|2,0,0]=4 28452 B13R1.656 CCOCCc1cc(ccc1C)C 34a_100011694955_100000210202 [0,2,0,0,0,0|2,0,0]=4 28453 B13R1.656 CCOCCc1cc(ccc1C)C 7a_100011694955_100000210202 [0,2,0,0,0,0|2,0,0]=4 28454 B13R1.656 CCOCCc1cc(ccc1Cl)Cl 34a_100011754359_100000210202 [0,2,0,0,0,0|2,0,0]=4 28455 B13R1.656 CCOCCc1cc(ccc1Cl)Cl 7a_100011754359_100000210202 [0,2,0,0,0,0|2,0,0]=4 28456 B13R1.656 CCOCCc1cc(ccc1F)F 34a_100011755048_100000210202 [0,2,0,0,0,0|2,0,0]=4 28457 B13R1.656 CCOCCc1cc(ccc1F)F 34a_100121572206_100011755056 [0,2,0,0,0,0|2,0,0]=4 28458 B13R1.656 CCOCCc1cc(ccc1F)F 7a_100011755048_100000210202 [0,2,0,0,0,0|2,0,0]=4 28459 B13R1.656 CCOCSc1nc(ccc1Br)N 62a_100000739092_100010192275 [0,2,0,0,0,0|2,0,0]=4 28460 B13R1.656 CCOCSc1nc(ccc1Br)N 62a_100010192275_100000739092 [0,2,0,0,0,0|2,0,0]=4 28461 B13R1.656 CCOCSc1nc(ccc1C)C 62a_100000739092_100009854376 [0,2,0,0,0,0|2,0,0]=4 28462 B13R1.656 CCOCSc1nc(ccc1C)C 62a_100009854376_100000739092 [0,2,0,0,0,0|2,0,0]=4 28463 B13R1.656 CCOCSc1nc(ccc1C)N 62a_100000126722_100000739092 [0,2,0,0,0,0|2,0,0]=4 28464 B13R1.656 CCOCSc1nc(ccc1C)N 62a_100000739092_100000126722 [0,2,0,0,0,0|2,0,0]=4 28465 B13R1.656 CCOCSc1nc(ccc1F)C 62a_100000739092_100009817602 [0,2,0,0,0,0|2,0,0]=4 28466 B13R1.656 CCOCSc1nc(ccc1F)C 62a_100009817602_100000739092 [0,2,0,0,0,0|2,0,0]=4 28467 B13R1.656 CCOCSc1nc(ccc1F)Cl 62a_100000739092_100010136221 [0,2,0,0,0,0|2,0,0]=4 28468 B13R1.656 CCOCSc1nc(ccc1F)Cl 62a_100010136221_100000739092 [0,2,0,0,0,0|2,0,0]=4 28469 B13R1.656 CCOCSc1nc(ccc1F)F 62a_100000739092_100010997973 [0,2,0,0,0,0|2,0,0]=4 28470 B13R1.656 CCOCSc1nc(ccc1F)F 62a_100010997973_100000739092 [0,2,0,0,0,0|2,0,0]=4 28471 B13R1.656 CCOCSc1nc(ccc1F)N 62a_100000739092_100010892222 [0,2,0,0,0,0|2,0,0]=4 28472 B13R1.656 CCOCSc1nc(ccc1F)N 62a_100010892222_100000739092 [0,2,0,0,0,0|2,0,0]=4 28473 B13R1.656 CCOCSc1nc(ccc1N)Br 62a_100000739092_100010168765 [0,2,0,0,0,0|2,0,0]=4 28474 B13R1.656 CCOCSc1nc(ccc1N)Br 62a_100010168765_100000739092 [0,2,0,0,0,0|2,0,0]=4 28475 B13R1.656 CCOCSc1nc(ccc1N)C 62a_100000685570_100000739092 [0,2,0,0,0,0|2,0,0]=4 28476 B13R1.656 CCOCSc1nc(ccc1N)C 62a_100000739092_100000685570 [0,2,0,0,0,0|2,0,0]=4 28477 B13R1.656 CCOCSc1nc(ccc1N)Cl 62a_100000739092_100010233647 [0,2,0,0,0,0|2,0,0]=4 28478 B13R1.656 CCOCSc1nc(ccc1N)Cl 62a_100010233647_100000739092 [0,2,0,0,0,0|2,0,0]=4 28479 B13R1.656 CCOCSc1nc(ccc1N)F 62a_100000739092_100009879877 [0,2,0,0,0,0|2,0,0]=4 28480 B13R1.656 CCOCSc1nc(ccc1N)F 62a_100009879877_100000739092 [0,2,0,0,0,0|2,0,0]=4 28481 B13R1.656 CCOCSc1nc(ccc1N)N 62a_100000739092_200009884323 [0,2,0,0,0,0|2,0,0]=4 28482 B13R1.656 CCOCSc1nc(ccc1N)N 62a_200009884323_100000739092 [0,2,0,0,0,0|2,0,0]=4 28483 B13R1.656 CCOCSc1nc(ccc1O)Br 62a_100000739092_100010253912 [0,2,0,0,0,0|2,0,0]=4 28484 B13R1.656 CCOCSc1nc(ccc1O)Br 62a_100010253912_100000739092 [0,2,0,0,0,0|2,0,0]=4 28485 B13R1.656 CCOCSc1nc(ccc1O)C 62a_100000702858_100000739092 [0,2,0,0,0,0|2,0,0]=4 28486 B13R1.656 CCOCSc1nc(ccc1O)C 62a_100000739092_100000702858 [0,2,0,0,0,0|2,0,0]=4 28487 B13R1.656 CCOCSc1nc(ccc1O)Cl 62a_100000739092_100000696390 [0,2,0,0,0,0|2,0,0]=4 28488 B13R1.656 CCOCSc1nc(ccc1O)F 62a_100000739092_100010382442 [0,2,0,0,0,0|2,0,0]=4 28489 B13R1.656 CCOCSc1nc(ccc1O)F 62a_100010382442_100000739092 [0,2,0,0,0,0|2,0,0]=4 28490 B13R1.656 CCSCCc1cc(ccc1F)F 62a_100000210202_100011755056 [0,2,0,0,0,0|2,0,0]=4 28491 B13R1.656 CCSCCc1cc(ccc1F)F 62a_100011755056_100000210202 [0,2,0,0,0,0|2,0,0]=4 28492 B13R1.656 COCCNc1nc(ccc1F)F 27a_100000209980_100010997973 [0,2,0,0,0,0|2,0,0]=4 28493 B13R1.656 COCCNc1nc(ccc1N)F 27a_100000209980_100009879877 [0,2,0,0,0,0|2,0,0]=4 28494 B13R1.656 COCCOc1nc(ccc1Br)C 34a_100009817604_100011201679 [0,2,0,0,0,0|2,0,0]=4 28495 B13R1.656 COCCOc1nc(ccc1F)Cl 34a_100010729010_100011201679 [0,2,0,0,0,0|2,0,0]=4 28496 B13R1.656 COCCOc1nc(ccc1N)C 34a_100000687486_100011201679 [0,2,0,0,0,0|2,0,0]=4 28497 B13R1.656 COCCSc1nc(ccc1Br)N 62a_100000233755_100010192275 [0,2,0,0,0,0|2,0,0]=4 28498 B13R1.656 COCCSc1nc(ccc1Br)N 62a_100010192275_100000233755 [0,2,0,0,0,0|2,0,0]=4 28499 B13R1.656 COCCSc1nc(ccc1C)C 62a_100000233755_100009854376 [0,2,0,0,0,0|2,0,0]=4 28500 B13R1.656 COCCSc1nc(ccc1C)C 62a_100009854376_100000233755 [0,2,0,0,0,0|2,0,0]=4 28501 B13R1.656 COCCSc1nc(ccc1C)N 62a_100000126722_100000233755 [0,2,0,0,0,0|2,0,0]=4 28502 B13R1.656 COCCSc1nc(ccc1C)N 62a_100000233755_100000126722 [0,2,0,0,0,0|2,0,0]=4 28503 B13R1.656 COCCSc1nc(ccc1F)C 62a_100000233755_100009817602 [0,2,0,0,0,0|2,0,0]=4 28504 B13R1.656 COCCSc1nc(ccc1F)C 62a_100009817602_100000233755 [0,2,0,0,0,0|2,0,0]=4 28505 B13R1.656 COCCSc1nc(ccc1F)Cl 62a_100000233755_100010136221 [0,2,0,0,0,0|2,0,0]=4 28506 B13R1.656 COCCSc1nc(ccc1F)Cl 62a_100010136221_100000233755 [0,2,0,0,0,0|2,0,0]=4 28507 B13R1.656 COCCSc1nc(ccc1F)F 62a_100000233755_100010997973 [0,2,0,0,0,0|2,0,0]=4 28508 B13R1.656 COCCSc1nc(ccc1F)F 62a_100010997973_100000233755 [0,2,0,0,0,0|2,0,0]=4 28509 B13R1.656 COCCSc1nc(ccc1F)N 62a_100000233755_100010892222 [0,2,0,0,0,0|2,0,0]=4 28510 B13R1.656 COCCSc1nc(ccc1F)N 62a_100010892222_100000233755 [0,2,0,0,0,0|2,0,0]=4 28511 B13R1.656 COCCSc1nc(ccc1N)Br 62a_100000233755_100010168765 [0,2,0,0,0,0|2,0,0]=4 28512 B13R1.656 COCCSc1nc(ccc1N)Br 62a_100010168765_100000233755 [0,2,0,0,0,0|2,0,0]=4 28513 B13R1.656 COCCSc1nc(ccc1N)C 62a_100000233755_100000685570 [0,2,0,0,0,0|2,0,0]=4 28514 B13R1.656 COCCSc1nc(ccc1N)C 62a_100000685570_100000233755 [0,2,0,0,0,0|2,0,0]=4 28515 B13R1.656 COCCSc1nc(ccc1N)Cl 62a_100000233755_100010233647 [0,2,0,0,0,0|2,0,0]=4 28516 B13R1.656 COCCSc1nc(ccc1N)Cl 62a_100010233647_100000233755 [0,2,0,0,0,0|2,0,0]=4 28517 B13R1.656 COCCSc1nc(ccc1N)F 62a_100000233755_100009879877 [0,2,0,0,0,0|2,0,0]=4 28518 B13R1.656 COCCSc1nc(ccc1N)F 62a_100009879877_100000233755 [0,2,0,0,0,0|2,0,0]=4 28519 B13R1.656 COCCSc1nc(ccc1N)N 62a_100000233755_200009884323 [0,2,0,0,0,0|2,0,0]=4 28520 B13R1.656 COCCSc1nc(ccc1N)N 62a_200009884323_100000233755 [0,2,0,0,0,0|2,0,0]=4 28521 B13R1.656 COCCSc1nc(ccc1O)Br 62a_100000233755_100010253912 [0,2,0,0,0,0|2,0,0]=4 28522 B13R1.656 COCCSc1nc(ccc1O)Br 62a_100010253912_100000233755 [0,2,0,0,0,0|2,0,0]=4 28523 B13R1.656 COCCSc1nc(ccc1O)C 62a_100000233755_100000702858 [0,2,0,0,0,0|2,0,0]=4 28524 B13R1.656 COCCSc1nc(ccc1O)C 62a_100000702858_100000233755 [0,2,0,0,0,0|2,0,0]=4 28525 B13R1.656 COCCSc1nc(ccc1O)Cl 62a_100000233755_100000696390 [0,2,0,0,0,0|2,0,0]=4 28526 B13R1.656 COCCSc1nc(ccc1O)F 62a_100000233755_100010382442 [0,2,0,0,0,0|2,0,0]=4 28527 B13R1.656 COCCSc1nc(ccc1O)F 62a_100010382442_100000233755 [0,2,0,0,0,0|2,0,0]=4 28528 B13R1.656 COCNCc1nc(ccc1F)Cl 2230a_100009887702_100000766300 [0,2,0,0,0,0|2,0,0]=4 28529 B13R1.656 COCSCc1nc(ccc1Cl)C 62a_100000766300_200009852033 [0,2,0,0,0,0|2,0,0]=4 28530 B13R1.656 COCSCc1nc(ccc1Cl)C 62a_200009852033_100000766300 [0,2,0,0,0,0|2,0,0]=4 28531 B13R1.656 COCSCc1nc(ccc1Cl)Cl 62a_100000059412_100000766300 [0,2,0,0,0,0|2,0,0]=4 28532 B13R1.656 COCSCc1nc(ccc1Cl)Cl 62a_100000766300_100000059412 [0,2,0,0,0,0|2,0,0]=4 28533 B13R1.656 COCSCc1nc(ccc1F)Br 62a_100000766300_100010065826 [0,2,0,0,0,0|2,0,0]=4 28534 B13R1.656 COCSCc1nc(ccc1F)Br 62a_100010065826_100000766300 [0,2,0,0,0,0|2,0,0]=4 28535 B13R1.656 COCSCc1nc(ccc1F)Cl 62a_100000766300_100009881012 [0,2,0,0,0,0|2,0,0]=4 28536 B13R1.656 COCSCc1nc(ccc1F)Cl 62a_100009881012_100000766300 [0,2,0,0,0,0|2,0,0]=4 28537 B13R1.656 COCSCc1nc(ccc1O)C 62a_100000766300_100020630696 [0,2,0,0,0,0|2,0,0]=4 28538 B13R1.656 COCSCc1nc(ccc1O)C 62a_100020630696_100000766300 [0,2,0,0,0,0|2,0,0]=4 28539 B13R1.656 CSCCNc1nc(ccc1F)F 27a_100020590264_100010997973 [0,2,0,0,0,0|2,0,0]=4 28540 B13R1.656 CSCCNc1nc(ccc1N)F 27a_100020590264_100009879877 [0,2,0,0,0,0|2,0,0]=4 28541 B13R1.656 CSCCOc1nc(ccc1Br)C 34a_100009817604_100000212216 [0,2,0,0,0,0|2,0,0]=4 28542 B13R1.656 CSCCOc1nc(ccc1F)Cl 34a_100010729010_100000212216 [0,2,0,0,0,0|2,0,0]=4 28543 B13R1.656 CSCCOc1nc(ccc1N)C 34a_100000687486_100000212216 [0,2,0,0,0,0|2,0,0]=4 28544 B13R1.656 CSCCSc1nc(ccc1Br)N 62a_100000212216_100010192275 [0,2,0,0,0,0|2,0,0]=4 28545 B13R1.656 CSCCSc1nc(ccc1Br)N 62a_100010192275_100000751147 [0,2,0,0,0,0|2,0,0]=4 28546 B13R1.656 CSCCSc1nc(ccc1C)C 62a_100000212216_100009854376 [0,2,0,0,0,0|2,0,0]=4 28547 B13R1.656 CSCCSc1nc(ccc1C)C 62a_100009854376_100000751147 [0,2,0,0,0,0|2,0,0]=4 28548 B13R1.656 CSCCSc1nc(ccc1C)N 62a_100000126722_100000751147 [0,2,0,0,0,0|2,0,0]=4 28549 B13R1.656 CSCCSc1nc(ccc1C)N 62a_100000212216_100000126722 [0,2,0,0,0,0|2,0,0]=4 28550 B13R1.656 CSCCSc1nc(ccc1F)C 62a_100000212216_100009817602 [0,2,0,0,0,0|2,0,0]=4 28551 B13R1.656 CSCCSc1nc(ccc1F)C 62a_100009817602_100000751147 [0,2,0,0,0,0|2,0,0]=4 28552 B13R1.656 CSCCSc1nc(ccc1F)Cl 62a_100000212216_100010136221 [0,2,0,0,0,0|2,0,0]=4 28553 B13R1.656 CSCCSc1nc(ccc1F)Cl 62a_100010136221_100000751147 [0,2,0,0,0,0|2,0,0]=4 28554 B13R1.656 CSCCSc1nc(ccc1F)F 62a_100000212216_100010997973 [0,2,0,0,0,0|2,0,0]=4 28555 B13R1.656 CSCCSc1nc(ccc1F)F 62a_100010997973_100000751147 [0,2,0,0,0,0|2,0,0]=4 28556 B13R1.656 CSCCSc1nc(ccc1F)N 62a_100000212216_100010892222 [0,2,0,0,0,0|2,0,0]=4 28557 B13R1.656 CSCCSc1nc(ccc1F)N 62a_100010892222_100000751147 [0,2,0,0,0,0|2,0,0]=4 28558 B13R1.656 CSCCSc1nc(ccc1N)Br 62a_100000212216_100010168765 [0,2,0,0,0,0|2,0,0]=4 28559 B13R1.656 CSCCSc1nc(ccc1N)Br 62a_100010168765_100000751147 [0,2,0,0,0,0|2,0,0]=4 28560 B13R1.656 CSCCSc1nc(ccc1N)C 62a_100000212216_100000685570 [0,2,0,0,0,0|2,0,0]=4 28561 B13R1.656 CSCCSc1nc(ccc1N)C 62a_100000685570_100000751147 [0,2,0,0,0,0|2,0,0]=4 28562 B13R1.656 CSCCSc1nc(ccc1N)Cl 62a_100000212216_100010233647 [0,2,0,0,0,0|2,0,0]=4 28563 B13R1.656 CSCCSc1nc(ccc1N)Cl 62a_100010233647_100000751147 [0,2,0,0,0,0|2,0,0]=4 28564 B13R1.656 CSCCSc1nc(ccc1N)F 62a_100000212216_100009879877 [0,2,0,0,0,0|2,0,0]=4 28565 B13R1.656 CSCCSc1nc(ccc1N)F 62a_100009879877_100000751147 [0,2,0,0,0,0|2,0,0]=4 28566 B13R1.656 CSCCSc1nc(ccc1N)N 62a_100000212216_200009884323 [0,2,0,0,0,0|2,0,0]=4 28567 B13R1.656 CSCCSc1nc(ccc1N)N 62a_200009884323_100000751147 [0,2,0,0,0,0|2,0,0]=4 28568 B13R1.656 CSCCSc1nc(ccc1O)Br 62a_100000212216_100010253912 [0,2,0,0,0,0|2,0,0]=4 28569 B13R1.656 CSCCSc1nc(ccc1O)Br 62a_100010253912_100000751147 [0,2,0,0,0,0|2,0,0]=4 28570 B13R1.656 CSCCSc1nc(ccc1O)C 62a_100000212216_100000702858 [0,2,0,0,0,0|2,0,0]=4 28571 B13R1.656 CSCCSc1nc(ccc1O)C 62a_100000702858_100000751147 [0,2,0,0,0,0|2,0,0]=4 28572 B13R1.656 CSCCSc1nc(ccc1O)Cl 62a_100000212216_100000696390 [0,2,0,0,0,0|2,0,0]=4 28573 B13R1.656 CSCCSc1nc(ccc1O)F 62a_100000212216_100010382442 [0,2,0,0,0,0|2,0,0]=4 28574 B13R1.656 CSCCSc1nc(ccc1O)F 62a_100010382442_100000751147 [0,2,0,0,0,0|2,0,0]=4 28575 B13R1.656 CSCNCc1nc(ccc1F)Cl 2230a_100009887702_100011218213 [0,2,0,0,0,0|2,0,0]=4 28576 B13R1.656 CSCNCc1nc(ccc1F)Cl 34a_100009887702_100011218213 [0,2,0,0,0,0|2,0,0]=4 28577 B13R1.656 CSCOCc1nc(ccc1Br)Br 34a_200010065229_100011218213 [0,2,0,0,0,0|2,0,0]=4 28578 B13R1.656 CSCOCc1nc(ccc1Br)C 34a_100010074375_100011218213 [0,2,0,0,0,0|2,0,0]=4 28579 B13R1.656 CSCOCc1nc(ccc1Br)Cl 34a_100010244999_100011218213 [0,2,0,0,0,0|2,0,0]=4 28580 B13R1.656 CSCOCc1nc(ccc1Br)F 34a_100000701195_100011218213 [0,2,0,0,0,0|2,0,0]=4 28581 B13R1.656 CSCOCc1nc(ccc1Cl)Cl 34a_100000749784_100011218213 [0,2,0,0,0,0|2,0,0]=4 28582 B13R1.656 CSCSCc1nc(ccc1Cl)C 62a_100011218213_200009852033 [0,2,0,0,0,0|2,0,0]=4 28583 B13R1.656 CSCSCc1nc(ccc1Cl)C 62a_200009852033_100011218213 [0,2,0,0,0,0|2,0,0]=4 28584 B13R1.656 CSCSCc1nc(ccc1Cl)Cl 62a_100000059412_100011218213 [0,2,0,0,0,0|2,0,0]=4 28585 B13R1.656 CSCSCc1nc(ccc1Cl)Cl 62a_100011218213_100000059412 [0,2,0,0,0,0|2,0,0]=4 28586 B13R1.656 CSCSCc1nc(ccc1F)Br 62a_100010065826_100011218213 [0,2,0,0,0,0|2,0,0]=4 28587 B13R1.656 CSCSCc1nc(ccc1F)Br 62a_100011218213_100010065826 [0,2,0,0,0,0|2,0,0]=4 28588 B13R1.656 CSCSCc1nc(ccc1F)Cl 62a_100009881012_100011218213 [0,2,0,0,0,0|2,0,0]=4 28589 B13R1.656 CSCSCc1nc(ccc1F)Cl 62a_100011218213_100009881012 [0,2,0,0,0,0|2,0,0]=4 28590 B13R1.656 CSCSCc1nc(ccc1O)C 62a_100011218213_100020630696 [0,2,0,0,0,0|2,0,0]=4 28591 B13R1.656 CSCSCc1nc(ccc1O)C 62a_100020630696_100011218213 [0,2,0,0,0,0|2,0,0]=4 28592 B13R1.656 Cc1ccc(c(n1)CNCCF)Cl 34a_100000724931_200009852033 [0,2,0,0,0,0|2,0,0]=4 28593 B13R1.656 Cc1ccc(c(n1)CNCCF)O 34a_100000724931_100020630696 [0,2,0,0,0,0|2,0,0]=4 28594 B13R1.656 Cc1ccc(c(n1)CNCCO)Br 207a_100000210304_100010173661 [0,2,0,0,0,0|2,0,0]=4 28595 B13R1.656 Cc1ccc(c(n1)CNCCO)Br 270004a_100000210304_100010173661 [0,2,0,0,0,0|2,0,0]=4 28596 B13R1.656 Cc1ccc(c(n1)CNCCO)Cl 2230a_100016997473_200009852033 [0,2,0,0,0,0|2,0,0]=4 28597 B13R1.656 Cc1ccc(c(n1)CNCCO)Cl 34a_100016990907_200009852033 [0,2,0,0,0,0|2,0,0]=4 28598 B13R1.656 Cc1ccc(c(n1)CNCCO)O 2230a_100016997473_100020630696 [0,2,0,0,0,0|2,0,0]=4 28599 B13R1.656 Cc1ccc(c(n1)CNCCO)O 34a_100016990907_100020630696 [0,2,0,0,0,0|2,0,0]=4 28600 B13R1.656 Cc1ccc(c(n1)COCCBr)Cl 34a_100000211926_200009852033 [0,2,0,0,0,0|2,0,0]=4 28601 B13R1.656 Cc1ccc(c(n1)COCCBr)O 34a_100000211926_100020630696 [0,2,0,0,0,0|2,0,0]=4 28602 B13R1.656 Cc1ccc(c(n1)COCCF)Br 34a_100010074375_100011217306 [0,2,0,0,0,0|2,0,0]=4 28603 B13R1.656 Cc1ccc(c(n1)COCCN)Cl 34a_100000210304_200009852033 [0,2,0,0,0,0|2,0,0]=4 28604 B13R1.656 Cc1ccc(c(n1)COCCN)O 34a_100000210304_100020630696 [0,2,0,0,0,0|2,0,0]=4 28605 B13R1.656 Cc1ccc(c(n1)COCCO)Br 34a_100010074375_100000211926 [0,2,0,0,0,0|2,0,0]=4 28606 B13R1.656 Cc1ccc(c(n1)CSCCF)Cl 62a_100011217306_200009852033 [0,2,0,0,0,0|2,0,0]=4 28607 B13R1.656 Cc1ccc(c(n1)CSCCF)Cl 62a_200009852033_100011217306 [0,2,0,0,0,0|2,0,0]=4 28608 B13R1.656 Cc1ccc(c(n1)CSCCF)O 62a_100011217306_100020630696 [0,2,0,0,0,0|2,0,0]=4 28609 B13R1.656 Cc1ccc(c(n1)CSCCF)O 62a_100020630696_100011217306 [0,2,0,0,0,0|2,0,0]=4 28610 B13R1.656 Cc1ccc(c(n1)CSCCO)Cl 62a_100000211926_200009852033 [0,2,0,0,0,0|2,0,0]=4 28611 B13R1.656 Cc1ccc(c(n1)CSCCO)Cl 62a_200009852033_100000211926 [0,2,0,0,0,0|2,0,0]=4 28612 B13R1.656 Cc1ccc(c(n1)CSCCO)O 62a_100000211926_100020630696 [0,2,0,0,0,0|2,0,0]=4 28613 B13R1.656 Cc1ccc(c(n1)CSCCO)O 62a_100020630696_100000211926 [0,2,0,0,0,0|2,0,0]=4 28614 B13R1.656 Cc1ccc(c(n1)OCCCF)Br 34a_100009817604_100011934791 [0,2,0,0,0,0|2,0,0]=4 28615 B13R1.656 Cc1ccc(c(n1)OCCCF)N 34a_100000687486_100011934791 [0,2,0,0,0,0|2,0,0]=4 28616 B13R1.656 Cc1ccc(c(n1)OCCCO)Br 34a_100009817604_100000230001 [0,2,0,0,0,0|2,0,0]=4 28617 B13R1.656 Cc1ccc(c(n1)OCCCO)N 34a_100000687486_100000230001 [0,2,0,0,0,0|2,0,0]=4 28618 B13R1.656 Cc1ccc(c(n1)SCCCF)C 62a_100009854376_100011934791 [0,2,0,0,0,0|2,0,0]=4 28619 B13R1.656 Cc1ccc(c(n1)SCCCF)C 62a_100011934791_100009854376 [0,2,0,0,0,0|2,0,0]=4 28620 B13R1.656 Cc1ccc(c(n1)SCCCF)F 62a_100009817602_100011934791 [0,2,0,0,0,0|2,0,0]=4 28621 B13R1.656 Cc1ccc(c(n1)SCCCF)F 62a_100011934791_100009817602 [0,2,0,0,0,0|2,0,0]=4 28622 B13R1.656 Cc1ccc(c(n1)SCCCF)N 62a_100000685570_100011934791 [0,2,0,0,0,0|2,0,0]=4 28623 B13R1.656 Cc1ccc(c(n1)SCCCF)N 62a_100011934791_100000685570 [0,2,0,0,0,0|2,0,0]=4 28624 B13R1.656 Cc1ccc(c(n1)SCCCF)O 62a_100000702858_100011934791 [0,2,0,0,0,0|2,0,0]=4 28625 B13R1.656 Cc1ccc(c(n1)SCCCF)O 62a_100011934791_100000702858 [0,2,0,0,0,0|2,0,0]=4 28626 B13R1.656 Cc1ccc(c(n1)SCCCO)C 62a_100009854376_100011215043 [0,2,0,0,0,0|2,0,0]=4 28627 B13R1.656 Cc1ccc(c(n1)SCCCO)C 62a_100011215043_100009854376 [0,2,0,0,0,0|2,0,0]=4 28628 B13R1.656 Cc1ccc(c(n1)SCCCO)F 62a_100009817602_100011215043 [0,2,0,0,0,0|2,0,0]=4 28629 B13R1.656 Cc1ccc(c(n1)SCCCO)F 62a_100011215043_100009817602 [0,2,0,0,0,0|2,0,0]=4 28630 B13R1.656 Cc1ccc(c(n1)SCCCO)N 62a_100000685570_100011215043 [0,2,0,0,0,0|2,0,0]=4 28631 B13R1.656 Cc1ccc(c(n1)SCCCO)N 62a_100011215043_100000685570 [0,2,0,0,0,0|2,0,0]=4 28632 B13R1.656 Cc1ccc(c(n1)SCCCO)O 62a_100000702858_100011215043 [0,2,0,0,0,0|2,0,0]=4 28633 B13R1.656 Cc1ccc(c(n1)SCCCO)O 62a_100011215043_100000702858 [0,2,0,0,0,0|2,0,0]=4 28634 B13R1.656 Cc1ccc(nc1SCCCF)N 62a_100000126722_100011934791 [0,2,0,0,0,0|2,0,0]=4 28635 B13R1.656 Cc1ccc(nc1SCCCF)N 62a_100011934791_100000126722 [0,2,0,0,0,0|2,0,0]=4 28636 B13R1.656 Cc1ccc(nc1SCCCO)N 62a_100000126722_100011215043 [0,2,0,0,0,0|2,0,0]=4 28637 B13R1.656 Cc1ccc(nc1SCCCO)N 62a_100011215043_100000126722 [0,2,0,0,0,0|2,0,0]=4 28638 B13R1.656 Clc1ccc(c(n1)COCCBr)Cl 34a_100000211926_100000059412 [0,2,0,0,0,0|2,0,0]=4 28639 B13R1.656 FCCCNc1nc(ccc1F)F 27a_100015189416_100010997973 [0,2,0,0,0,0|2,0,0]=4 28640 B13R1.656 FCCCOc1nc(ccc1F)Cl 34a_100010729010_100011934791 [0,2,0,0,0,0|2,0,0]=4 28641 B13R1.656 FCCCSc1nc(ccc1F)Cl 62a_100010136221_100011934791 [0,2,0,0,0,0|2,0,0]=4 28642 B13R1.656 FCCCSc1nc(ccc1F)Cl 62a_100011934791_100010136221 [0,2,0,0,0,0|2,0,0]=4 28643 B13R1.656 FCCCSc1nc(ccc1F)F 62a_100010997973_100011934791 [0,2,0,0,0,0|2,0,0]=4 28644 B13R1.656 FCCCSc1nc(ccc1F)F 62a_100011934791_100010997973 [0,2,0,0,0,0|2,0,0]=4 28645 B13R1.656 FCCNCc1nc(ccc1Cl)Cl 34a_100000724931_100000059412 [0,2,0,0,0,0|2,0,0]=4 28646 B13R1.656 FCCNCc1nc(ccc1F)Br 34a_100000724931_100010065826 [0,2,0,0,0,0|2,0,0]=4 28647 B13R1.656 FCCNCc1nc(ccc1F)Cl 2230a_100009887702_100011217306 [0,2,0,0,0,0|2,0,0]=4 28648 B13R1.656 FCCNCc1nc(ccc1F)Cl 34a_100000724931_100009881012 [0,2,0,0,0,0|2,0,0]=4 28649 B13R1.656 FCCNCc1nc(ccc1F)Cl 34a_100009887702_100011217306 [0,2,0,0,0,0|2,0,0]=4 28650 B13R1.656 FCCOCc1nc(ccc1Br)Br 34a_200010065229_100011217306 [0,2,0,0,0,0|2,0,0]=4 28651 B13R1.656 FCCOCc1nc(ccc1Br)Br 7a_200010065229_100011217306 [0,2,0,0,0,0|2,0,0]=4 28652 B13R1.656 FCCOCc1nc(ccc1Br)Cl 34a_100010244999_100011217306 [0,2,0,0,0,0|2,0,0]=4 28653 B13R1.656 FCCOCc1nc(ccc1Br)F 34a_100000701195_100011217306 [0,2,0,0,0,0|2,0,0]=4 28654 B13R1.656 FCCOCc1nc(ccc1Cl)Cl 34a_100000749784_100011217306 [0,2,0,0,0,0|2,0,0]=4 28655 B13R1.656 FCCSCc1nc(ccc1Cl)Cl 62a_100000059412_100011217306 [0,2,0,0,0,0|2,0,0]=4 28656 B13R1.656 FCCSCc1nc(ccc1Cl)Cl 62a_100011217306_100000059412 [0,2,0,0,0,0|2,0,0]=4 28657 B13R1.656 FCCSCc1nc(ccc1F)Br 62a_100010065826_100011217306 [0,2,0,0,0,0|2,0,0]=4 28658 B13R1.656 FCCSCc1nc(ccc1F)Br 62a_100011217306_100010065826 [0,2,0,0,0,0|2,0,0]=4 28659 B13R1.656 FCCSCc1nc(ccc1F)Cl 62a_100009881012_100011217306 [0,2,0,0,0,0|2,0,0]=4 28660 B13R1.656 FCCSCc1nc(ccc1F)Cl 62a_100011217306_100009881012 [0,2,0,0,0,0|2,0,0]=4 28661 B13R1.656 Fc1ccc(nc1COCCBr)Br 34a_100000211926_100010065826 [0,2,0,0,0,0|2,0,0]=4 28662 B13R1.656 Fc1ccc(nc1COCCBr)Cl 34a_100000211926_100009881012 [0,2,0,0,0,0|2,0,0]=4 28663 B13R1.656 NCCOCc1nc(ccc1Cl)Cl 34a_100000210304_100000059412 [0,2,0,0,0,0|2,0,0]=4 28664 B13R1.656 NCCOCc1nc(ccc1F)Br 34a_100000210304_100010065826 [0,2,0,0,0,0|2,0,0]=4 28665 B13R1.656 NCCOCc1nc(ccc1F)Cl 34a_100000210304_100009881012 [0,2,0,0,0,0|2,0,0]=4 28666 B13R1.656 Nc1ccc(c(n1)SCCCF)Br 62a_100010192275_100011934791 [0,2,0,0,0,0|2,0,0]=4 28667 B13R1.656 Nc1ccc(c(n1)SCCCF)Br 62a_100011934791_100010192275 [0,2,0,0,0,0|2,0,0]=4 28668 B13R1.656 Nc1ccc(c(n1)SCCCF)F 62a_100010892222_100011934791 [0,2,0,0,0,0|2,0,0]=4 28669 B13R1.656 Nc1ccc(c(n1)SCCCF)F 62a_100011934791_100010892222 [0,2,0,0,0,0|2,0,0]=4 28670 B13R1.656 Nc1ccc(c(n1)SCCCF)N 62a_100011934791_200009884323 [0,2,0,0,0,0|2,0,0]=4 28671 B13R1.656 Nc1ccc(c(n1)SCCCF)N 62a_200009884323_100011934791 [0,2,0,0,0,0|2,0,0]=4 28672 B13R1.656 Nc1ccc(c(n1)SCCCO)Br 62a_100010192275_100011215043 [0,2,0,0,0,0|2,0,0]=4 28673 B13R1.656 Nc1ccc(c(n1)SCCCO)Br 62a_100011215043_100010192275 [0,2,0,0,0,0|2,0,0]=4 28674 B13R1.656 Nc1ccc(c(n1)SCCCO)F 62a_100010892222_100011215043 [0,2,0,0,0,0|2,0,0]=4 28675 B13R1.656 Nc1ccc(c(n1)SCCCO)F 62a_100011215043_100010892222 [0,2,0,0,0,0|2,0,0]=4 28676 B13R1.656 Nc1ccc(c(n1)SCCCO)N 62a_100011215043_200009884323 [0,2,0,0,0,0|2,0,0]=4 28677 B13R1.656 Nc1ccc(c(n1)SCCCO)N 62a_200009884323_100011215043 [0,2,0,0,0,0|2,0,0]=4 28678 B13R1.656 Nc1ccc(nc1NCCCF)F 27a_100015189416_100009879877 [0,2,0,0,0,0|2,0,0]=4 28679 B13R1.656 Nc1ccc(nc1NCCCO)F 27a_100000182051_100009879877 [0,2,0,0,0,0|2,0,0]=4 28680 B13R1.656 Nc1ccc(nc1SCCCF)Br 62a_100010168765_100011934791 [0,2,0,0,0,0|2,0,0]=4 28681 B13R1.656 Nc1ccc(nc1SCCCF)Br 62a_100011934791_100010168765 [0,2,0,0,0,0|2,0,0]=4 28682 B13R1.656 Nc1ccc(nc1SCCCF)Cl 62a_100010233647_100011934791 [0,2,0,0,0,0|2,0,0]=4 28683 B13R1.656 Nc1ccc(nc1SCCCF)Cl 62a_100011934791_100010233647 [0,2,0,0,0,0|2,0,0]=4 28684 B13R1.656 Nc1ccc(nc1SCCCF)F 62a_100009879877_100011934791 [0,2,0,0,0,0|2,0,0]=4 28685 B13R1.656 Nc1ccc(nc1SCCCF)F 62a_100011934791_100009879877 [0,2,0,0,0,0|2,0,0]=4 28686 B13R1.656 Nc1ccc(nc1SCCCO)Br 62a_100010168765_100011215043 [0,2,0,0,0,0|2,0,0]=4 28687 B13R1.656 Nc1ccc(nc1SCCCO)Br 62a_100011215043_100010168765 [0,2,0,0,0,0|2,0,0]=4 28688 B13R1.656 Nc1ccc(nc1SCCCO)Cl 62a_100010233647_100011215043 [0,2,0,0,0,0|2,0,0]=4 28689 B13R1.656 Nc1ccc(nc1SCCCO)Cl 62a_100011215043_100010233647 [0,2,0,0,0,0|2,0,0]=4 28690 B13R1.656 Nc1ccc(nc1SCCCO)F 62a_100009879877_100011215043 [0,2,0,0,0,0|2,0,0]=4 28691 B13R1.656 Nc1ccc(nc1SCCCO)F 62a_100011215043_100009879877 [0,2,0,0,0,0|2,0,0]=4 28692 B13R1.656 OCCCNc1nc(ccc1F)F 27a_100000182051_100010997973 [0,2,0,0,0,0|2,0,0]=4 28693 B13R1.656 OCCCOc1nc(ccc1F)Cl 34a_100010729010_100000230001 [0,2,0,0,0,0|2,0,0]=4 28694 B13R1.656 OCCCSc1nc(ccc1F)Cl 62a_100010136221_100011215043 [0,2,0,0,0,0|2,0,0]=4 28695 B13R1.656 OCCCSc1nc(ccc1F)Cl 62a_100011215043_100010136221 [0,2,0,0,0,0|2,0,0]=4 28696 B13R1.656 OCCCSc1nc(ccc1F)F 62a_100010997973_100011215043 [0,2,0,0,0,0|2,0,0]=4 28697 B13R1.656 OCCCSc1nc(ccc1F)F 62a_100011215043_100010997973 [0,2,0,0,0,0|2,0,0]=4 28698 B13R1.656 OCCCSc1nc(ccc1O)Br 62a_100010253912_100011215043 [0,2,0,0,0,0|2,0,0]=4 28699 B13R1.656 OCCCSc1nc(ccc1O)Br 62a_100011215043_100010253912 [0,2,0,0,0,0|2,0,0]=4 28700 B13R1.656 OCCCSc1nc(ccc1O)Cl 62a_100011215043_100000696390 [0,2,0,0,0,0|2,0,0]=4 28701 B13R1.656 OCCCSc1nc(ccc1O)F 62a_100010382442_100011215043 [0,2,0,0,0,0|2,0,0]=4 28702 B13R1.656 OCCCSc1nc(ccc1O)F 62a_100011215043_100010382442 [0,2,0,0,0,0|2,0,0]=4 28703 B13R1.656 OCCNCc1nc(ccc1Br)Cl 270004a_100000210304_100000734296 [0,2,0,0,0,0|2,0,0]=4 28704 B13R1.656 OCCNCc1nc(ccc1Cl)Cl 2230a_100016997473_100000059412 [0,2,0,0,0,0|2,0,0]=4 28705 B13R1.656 OCCNCc1nc(ccc1Cl)Cl 270004a_100000210304_100011935248 [0,2,0,0,0,0|2,0,0]=4 28706 B13R1.656 OCCNCc1nc(ccc1Cl)Cl 34a_100016990907_100000059412 [0,2,0,0,0,0|2,0,0]=4 28707 B13R1.656 OCCNCc1nc(ccc1F)Br 2230a_100016997473_100010065826 [0,2,0,0,0,0|2,0,0]=4 28708 B13R1.656 OCCNCc1nc(ccc1F)Br 270004a_100000210304_100009814804 [0,2,0,0,0,0|2,0,0]=4 28709 B13R1.656 OCCNCc1nc(ccc1F)Br 34a_100016990907_100010065826 [0,2,0,0,0,0|2,0,0]=4 28710 B13R1.656 OCCNCc1nc(ccc1F)Cl 2230a_100009887702_100000211926 [0,2,0,0,0,0|2,0,0]=4 28711 B13R1.656 OCCNCc1nc(ccc1F)Cl 2230a_100016997473_100009881012 [0,2,0,0,0,0|2,0,0]=4 28712 B13R1.656 OCCNCc1nc(ccc1F)Cl 270004a_100000210304_100000050918 [0,2,0,0,0,0|2,0,0]=4 28713 B13R1.656 OCCNCc1nc(ccc1F)Cl 34a_100009887702_100000211926 [0,2,0,0,0,0|2,0,0]=4 28714 B13R1.656 OCCNCc1nc(ccc1F)Cl 34a_100016990907_100009881012 [0,2,0,0,0,0|2,0,0]=4 28715 B13R1.656 OCCOCc1nc(ccc1Br)Br 34a_200010065229_100000211926 [0,2,0,0,0,0|2,0,0]=4 28716 B13R1.656 OCCOCc1nc(ccc1Br)Br 7a_200010065229_100000211926 [0,2,0,0,0,0|2,0,0]=4 28717 B13R1.656 OCCOCc1nc(ccc1Br)Cl 34a_100010244999_100000211926 [0,2,0,0,0,0|2,0,0]=4 28718 B13R1.656 OCCOCc1nc(ccc1Br)F 34a_100000701195_100000211926 [0,2,0,0,0,0|2,0,0]=4 28719 B13R1.656 OCCOCc1nc(ccc1Cl)Cl 34a_100000749784_100000211926 [0,2,0,0,0,0|2,0,0]=4 28720 B13R1.656 OCCSCc1nc(ccc1Cl)Cl 62a_100000059412_100000211926 [0,2,0,0,0,0|2,0,0]=4 28721 B13R1.656 OCCSCc1nc(ccc1Cl)Cl 62a_100000211926_100000059412 [0,2,0,0,0,0|2,0,0]=4 28722 B13R1.656 OCCSCc1nc(ccc1F)Br 62a_100000211926_100010065826 [0,2,0,0,0,0|2,0,0]=4 28723 B13R1.656 OCCSCc1nc(ccc1F)Br 62a_100010065826_100000211926 [0,2,0,0,0,0|2,0,0]=4 28724 B13R1.656 OCCSCc1nc(ccc1F)Cl 62a_100000211926_100009881012 [0,2,0,0,0,0|2,0,0]=4 28725 B13R1.656 OCCSCc1nc(ccc1F)Cl 62a_100009881012_100000211926 [0,2,0,0,0,0|2,0,0]=4 28726 B13R1.656 Oc1ccc(nc1SCCCF)Br 62a_100010253912_100011934791 [0,2,0,0,0,0|2,0,0]=4 28727 B13R1.656 Oc1ccc(nc1SCCCF)Br 62a_100011934791_100010253912 [0,2,0,0,0,0|2,0,0]=4 28728 B13R1.656 Oc1ccc(nc1SCCCF)Cl 62a_100011934791_100000696390 [0,2,0,0,0,0|2,0,0]=4 28729 B13R1.656 Oc1ccc(nc1SCCCF)F 62a_100010382442_100011934791 [0,2,0,0,0,0|2,0,0]=4 28730 B13R1.656 Oc1ccc(nc1SCCCF)F 62a_100011934791_100010382442 [0,2,0,0,0,0|2,0,0]=4 28731 B13R1.666 C#Cc1cccc(c1)CNCCC 207a_100020643023_100011361529 [0,2,0,0,0,0|2,0,0]=4 28732 B13R1.666 C#Cc1cccc(c1)COCCC 34a_100010272118_100000210303 [0,2,0,0,0,0|2,0,0]=4 28733 B13R1.666 C#Cc1cccc(c1)COCCC 7a_100010272118_100000210303 [0,2,0,0,0,0|2,0,0]=4 28734 B13R1.666 C#Cc1cccc(c1)NCCCC 2230a_100000735509_100000210211 [0,2,0,0,0,0|2,0,0]=4 28735 B13R1.666 C#Cc1cccc(c1)NCCCC 34a_100000735509_100000210210 [0,2,0,0,0,0|2,0,0]=4 28736 B13R1.666 C#Cc1cccc(c1)OCCCC 34a_100011216014_100000210210 [0,2,0,0,0,0|2,0,0]=4 28737 B13R1.666 C#Cc1cccc(c1)OCCCC 7a_100011216014_100000210211 [0,2,0,0,0,0|2,0,0]=4 28738 B13R1.666 C=Cc1cc(ncn1)NCCCC 271570a_100011290941_200011210052 [0,2,0,0,0,0|2,0,0]=4 28739 B13R1.666 C=Cc1cccc(c1)CNCCC 270004a_100020643023_100011218069 [0,2,0,0,0,0|2,0,0]=4 28740 B13R1.666 C=Cc1cccc(c1)CNCCC 271570a_100011290941_100015184641 [0,2,0,0,0,0|2,0,0]=4 28741 B13R1.666 C=Cc1cccc(c1)NCCCC 34a_100011827668_100000210210 [0,2,0,0,0,0|2,0,0]=4 28742 B13R1.666 C=Cc1cccc(c1)OCCCC 271570a_100011290941_200011212284 [0,2,0,0,0,0|2,0,0]=4 28743 B13R1.666 C=Cc1cccc(c1)OCCCC 34a_100011309434_100000210210 [0,2,0,0,0,0|2,0,0]=4 28744 B13R1.666 C=Cc1cccc(c1)OCCCC 7a_100011309434_100000210211 [0,2,0,0,0,0|2,0,0]=4 28745 B13R1.666 C=Cc1cccc(c1)SCCCC 271570a_100011290941_100010128134 [0,2,0,0,0,0|2,0,0]=4 28746 B13R1.666 C=Cc1cccc(c1)SCCCC 62a_100000210211_100011215241 [0,2,0,0,0,0|2,0,0]=4 28747 B13R1.666 C=Cc1cccc(c1)SCCCC 62a_100011215241_100000210210 [0,2,0,0,0,0|2,0,0]=4 28748 B13R1.666 C=Cc1cccc(n1)OCCCC 271570a_100011290941_200011960251 [0,2,0,0,0,0|1,0,0]=3 28749 B13R1.666 C=Cc1ccnc(c1)OCCOC 271570a_100011290941_200010734593 [0,2,0,0,0,0|2,0,0]=4 28750 B13R1.666 C=Cc1cncc(n1)NCCCC 271570a_100011290941_200011210053 [0,2,0,0,0,0|2,0,0]=4 28751 B13R1.666 CCCC=Cc1cc(ccn1)C#N 271570a_100016258520_100011291639 [0,2,0,0,0,0|0,0,2]=4 28752 B13R1.666 CCCC=Cc1cc(ccn1)C=O 271570a_100016258520_100011290808 [0,2,0,0,0,0|0,0,2]=4 28753 B13R1.666 CCCC=Cc1cc(ccn1)CC 271570a_100016258520_100009817561 [0,2,0,0,0,0|0,0,2]=4 28754 B13R1.666 CCCC=Cc1cc(ccn1)CO 271570a_100016258520_100009814636 [0,2,0,0,0,0|0,0,2]=4 28755 B13R1.666 CCCC=Cc1cc(ccn1)NC 271570a_100016258520_100009869472 [0,2,0,0,0,0|0,0,2]=4 28756 B13R1.666 CCCC=Cc1cc(ccn1)OC 271570a_100016258520_100011216251 [0,2,0,0,0,0|0,0,2]=4 28757 B13R1.666 CCCC=Cc1cc(ccn1)SC 271570a_100016258520_100010883326 [0,2,0,0,0,0|0,0,2]=4 28758 B13R1.666 CCCC=Cc1cccc(n1)C#N 271570a_100016258520_100011934037 [0,2,0,0,0,0|0,0,2]=4 28759 B13R1.666 CCCC=Cc1cccc(n1)C=O 271570a_100016258520_100000688028 [0,2,0,0,0,0|0,0,2]=4 28760 B13R1.666 CCCC=Cc1cccc(n1)CC 271570a_100016258520_100009856026 [0,2,0,0,0,0|0,0,2]=4 28761 B13R1.666 CCCC=Cc1cccc(n1)CN 271570a_100016258520_100016990191 [0,2,0,0,0,0|0,0,2]=4 28762 B13R1.666 CCCC=Cc1cccc(n1)CO 271570a_100016258520_100000694195 [0,2,0,0,0,0|0,0,2]=4 28763 B13R1.666 CCCC=Cc1cccc(n1)NC 271570a_100016258520_100000703281 [0,2,0,0,0,0|0,0,2]=4 28764 B13R1.666 CCCC=Cc1cccc(n1)NN 271570a_100016258520_100009817029 [0,2,0,0,0,0|0,0,2]=4 28765 B13R1.666 CCCC=Cc1cccc(n1)OC 271570a_100016258520_100000760917 [0,2,0,0,0,0|0,0,2]=4 28766 B13R1.666 CCCC=Cc1cccc(n1)SC 271570a_100016258520_100011960944 [0,2,0,0,0,0|0,0,2]=4 28767 B13R1.666 CCCCNc1cc(ccn1)C#N 27a_100000102301_100011291639 [0,2,0,0,0,0|1,0,0]=3 28768 B13R1.666 CCCCNc1cc(ccn1)CC 27a_100000102301_100009817561 [0,2,0,0,0,0|1,0,0]=3 28769 B13R1.666 CCCCNc1cc(ncn1)C#N 27a_100000102301_100000092509 [0,2,0,0,0,0|2,0,0]=4 28770 B13R1.666 CCCCNc1cc(ncn1)CC 27a_100000102301_100000744278 [0,2,0,0,0,0|2,0,0]=4 28771 B13R1.666 CCCCNc1cc(ncn1)CO 27a_100000102301_100000731546 [0,2,0,0,0,0|2,0,0]=4 28772 B13R1.666 CCCCNc1cc(ncn1)NC 27a_100000102301_100000756605 [0,2,0,0,0,0|2,0,0]=4 28773 B13R1.666 CCCCNc1cc(ncn1)NC 27a_100102657272_200011210052 [0,2,0,0,0,0|2,0,0]=4 28774 B13R1.666 CCCCNc1cc(ncn1)NN 27a_100000102301_100000242035 [0,2,0,0,0,0|2,0,0]=4 28775 B13R1.666 CCCCNc1cc(ncn1)OC 27a_100000102301_100000049997 [0,2,0,0,0,0|2,0,0]=4 28776 B13R1.666 CCCCNc1cc(ncn1)SC 27a_100000102301_100011443430 [0,2,0,0,0,0|2,0,0]=4 28777 B13R1.666 CCCCNc1cc(ncn1)SC 62a_200000210301_200011210052 [0,2,0,0,0,0|2,0,0]=4 28778 B13R1.666 CCCCNc1cc(ncn1)SC 62a_200011210052_200000210301 [0,2,0,0,0,0|2,0,0]=4 28779 B13R1.666 CCCCNc1cc(ncn1)S[13CH3] 62a_200011210052_200025704644 [0,2,0,0,0,0|2,0,0]=4 28780 B13R1.666 CCCCNc1cc(ncn1)S[13CH3] 62a_200025704644_200011210052 [0,2,0,0,0,0|2,0,0]=4 28781 B13R1.666 CCCCNc1cccc(c1)C#N 34a_100000210922_100000210210 [0,2,0,0,0,0|2,0,0]=4 28782 B13R1.666 CCCCNc1cccc(c1)C#N 7a_100000210922_100000210211 [0,2,0,0,0,0|2,0,0]=4 28783 B13R1.666 CCCCNc1cccc(c1)CC 2230a_100000211250_100000210211 [0,2,0,0,0,0|2,0,0]=4 28784 B13R1.666 CCCCNc1cccc(c1)CC 34a_100000211250_100000210210 [0,2,0,0,0,0|2,0,0]=4 28785 B13R1.666 CCCCNc1cccc(c1)CC 7a_100000211250_100000210211 [0,2,0,0,0,0|2,0,0]=4 28786 B13R1.666 CCCCNc1cccc(c1)CF 2230a_100000126320_100000210211 [0,2,0,0,0,0|2,0,0]=4 28787 B13R1.666 CCCCNc1cccc(c1)CF 34a_100000126320_100000210210 [0,2,0,0,0,0|2,0,0]=4 28788 B13R1.666 CCCCNc1cccc(c1)CF 7a_100000126320_100000210211 [0,2,0,0,0,0|2,0,0]=4 28789 B13R1.666 CCCCNc1cccc(c1)CO 2230a_100000211919_100000210211 [0,2,0,0,0,0|2,0,0]=4 28790 B13R1.666 CCCCNc1cccc(c1)CO 34a_100000211919_100000210210 [0,2,0,0,0,0|2,0,0]=4 28791 B13R1.666 CCCCNc1cccc(c1)OC 34a_100000210024_100000210210 [0,2,0,0,0,0|2,0,0]=4 28792 B13R1.666 CCCCNc1cccc(c1)SC 2230a_100000210049_100000210211 [0,2,0,0,0,0|2,0,0]=4 28793 B13R1.666 CCCCNc1cccc(c1)SC 34a_100000210049_100000210210 [0,2,0,0,0,0|2,0,0]=4 28794 B13R1.666 CCCCNc1cccc(n1)C#N 27a_100000102301_100011934037 [0,2,0,0,0,0|1,0,0]=3 28795 B13R1.666 CCCCNc1ccnc(n1)C#N 27a_100000102301_100000092507 [0,2,0,0,0,0|2,0,0]=4 28796 B13R1.666 CCCCNc1ccnc(n1)NC 27a_100000102301_100012000420 [0,2,0,0,0,0|2,0,0]=4 28797 B13R1.666 CCCCNc1ccnc(n1)OC 27a_100000102301_100000069072 [0,2,0,0,0,0|2,0,0]=4 28798 B13R1.666 CCCCNc1ccnc(n1)SC 27a_100000102301_100000032126 [0,2,0,0,0,0|2,0,0]=4 28799 B13R1.666 CCCCNc1cncc(n1)C#N 27a_100000102301_100009817212 [0,2,0,0,0,0|2,0,0]=4 28800 B13R1.666 CCCCNc1cncc(n1)CO 27a_100000102301_100009853123 [0,2,0,0,0,0|2,0,0]=4 28801 B13R1.666 CCCCNc1cncc(n1)OC 27a_100000102301_100009819700 [0,2,0,0,0,0|2,0,0]=4 28802 B13R1.666 CCCCNc1cncc(n1)SC 62a_200000210301_200011210053 [0,2,0,0,0,0|2,0,0]=4 28803 B13R1.666 CCCCNc1cncc(n1)SC 62a_200011210053_200000210301 [0,2,0,0,0,0|2,0,0]=4 28804 B13R1.666 CCCCNc1cncc(n1)S[13CH3] 62a_200011210053_200025704644 [0,2,0,0,0,0|2,0,0]=4 28805 B13R1.666 CCCCNc1cncc(n1)S[13CH3] 62a_200025704644_200011210053 [0,2,0,0,0,0|2,0,0]=4 28806 B13R1.666 CCCCNc1nccc(n1)C#N 27a_100000102301_100000066186 [0,2,0,0,0,0|2,0,0]=4 28807 B13R1.666 CCCCNc1nccc(n1)CC 27a_100000102301_100000100215 [0,2,0,0,0,0|2,0,0]=4 28808 B13R1.666 CCCCNc1nccc(n1)NC 27a_100000102301_100011649947 [0,2,0,0,0,0|2,0,0]=4 28809 B13R1.666 CCCCNc1nccc(n1)OC 27a_100000102301_100000182009 [0,2,0,0,0,0|2,0,0]=4 28810 B13R1.666 CCCCNc1nccc(n1)SC 27a_100000102301_100011650323 [0,2,0,0,0,0|2,0,0]=4 28811 B13R1.666 CCCCOc1cc(ccn1)CN 34a_100000748557_100000210210 [0,2,0,0,0,0|1,0,0]=3 28812 B13R1.666 CCCCOc1cccc(c1)C#N 34a_100000184713_100000210210 [0,2,0,0,0,0|2,0,0]=4 28813 B13R1.666 CCCCOc1cccc(c1)C#N 7a_100000184713_100000210211 [0,2,0,0,0,0|2,0,0]=4 28814 B13R1.666 CCCCOc1cccc(c1)CBr 34a_100011660834_100000210210 [0,2,0,0,0,0|2,0,0]=4 28815 B13R1.666 CCCCOc1cccc(c1)CBr 7a_100011660834_100000210211 [0,2,0,0,0,0|2,0,0]=4 28816 B13R1.666 CCCCOc1cccc(c1)CC 34a_100000211550_100000210210 [0,2,0,0,0,0|2,0,0]=4 28817 B13R1.666 CCCCOc1cccc(c1)CC 7a_100000211550_100000210211 [0,2,0,0,0,0|2,0,0]=4 28818 B13R1.666 CCCCOc1cccc(c1)CCl 34a_100000084143_100000210210 [0,2,0,0,0,0|2,0,0]=4 28819 B13R1.666 CCCCOc1cccc(c1)CCl 7a_100000084143_100000210211 [0,2,0,0,0,0|2,0,0]=4 28820 B13R1.666 CCCCOc1cccc(c1)CN 34a_100000743036_100000210210 [0,2,0,0,0,0|2,0,0]=4 28821 B13R1.666 CCCCOc1cccc(c1)CO 34a_100011214949_100000210210 [0,2,0,0,0,0|2,0,0]=4 28822 B13R1.666 CCCCOc1cccc(c1)CO 7a_100011214949_100000210211 [0,2,0,0,0,0|2,0,0]=4 28823 B13R1.666 CCCCOc1cccc(c1)NC 2230a_100000744072_200000210301 [0,2,0,0,0,0|2,0,0]=4 28824 B13R1.666 CCCCOc1cccc(c1)NC 34a_100000744072_200000210301 [0,2,0,0,0,0|2,0,0]=4 28825 B13R1.666 CCCCOc1cccc(c1)NC 34a_100000756613_100000210210 [0,2,0,0,0,0|2,0,0]=4 28826 B13R1.666 CCCCOc1cccc(c1)NC 7a_100000744072_200000210301 [0,2,0,0,0,0|2,0,0]=4 28827 B13R1.666 CCCCOc1cccc(c1)NC 7a_100000756613_100000210211 [0,2,0,0,0,0|2,0,0]=4 28828 B13R1.666 CCCCOc1cccc(c1)N[13CH3] 2230a_100000744072_200025704644 [0,2,0,0,0,0|2,0,0]=4 28829 B13R1.666 CCCCOc1cccc(c1)N[13CH3] 34a_100000744072_200025704644 [0,2,0,0,0,0|2,0,0]=4 28830 B13R1.666 CCCCOc1cccc(c1)N[13CH3] 7a_100000744072_200025704644 [0,2,0,0,0,0|2,0,0]=4 28831 B13R1.666 CCCCOc1cccc(c1)OC 34a_100000211255_100000210210 [0,2,0,0,0,0|2,0,0]=4 28832 B13R1.666 CCCCOc1cccc(c1)OC 34a_100011216386_200000210301 [0,2,0,0,0,0|2,0,0]=4 28833 B13R1.666 CCCCOc1cccc(c1)OC 7a_100000211255_100000210211 [0,2,0,0,0,0|2,0,0]=4 28834 B13R1.666 CCCCOc1cccc(c1)OC 7a_100011216386_200000210301 [0,2,0,0,0,0|2,0,0]=4 28835 B13R1.666 CCCCOc1cccc(c1)O[13CH3] 34a_100011216386_200025704644 [0,2,0,0,0,0|2,0,0]=4 28836 B13R1.666 CCCCOc1cccc(c1)O[13CH3] 7a_100011216386_200025704644 [0,2,0,0,0,0|2,0,0]=4 28837 B13R1.666 CCCCOc1cccc(c1)SC 34a_100011265683_100000210210 [0,2,0,0,0,0|2,0,0]=4 28838 B13R1.666 CCCCOc1cccc(c1)SC 62a_200000210301_200011212284 [0,2,0,0,0,0|2,0,0]=4 28839 B13R1.666 CCCCOc1cccc(c1)SC 7a_100011265683_100000210211 [0,2,0,0,0,0|2,0,0]=4 28840 B13R1.666 CCCCOc1cccc(c1)S[13CH3] 62a_200025704644_200011212284 [0,2,0,0,0,0|2,0,0]=4 28841 B13R1.666 CCCCOc1cccc(n1)NC 27a_100102657272_200011960251 [0,2,0,0,0,0|1,0,0]=3 28842 B13R1.666 CCCCOc1cccc(n1)SC 62a_200000210301_200011960251 [0,2,0,0,0,0|1,0,0]=3 28843 B13R1.666 CCCCOc1cccc(n1)SC 62a_200011960251_200000210301 [0,2,0,0,0,0|1,0,0]=3 28844 B13R1.666 CCCCOc1cccc(n1)S[13CH3] 62a_200011960251_200025704644 [0,2,0,0,0,0|1,0,0]=3 28845 B13R1.666 CCCCOc1cccc(n1)S[13CH3] 62a_200025704644_200011960251 [0,2,0,0,0,0|1,0,0]=3 28846 B13R1.666 CCCCSc1cc(ccn1)C#N 62a_100000210211_100011291639 [0,2,0,0,0,0|1,0,0]=3 28847 B13R1.666 CCCCSc1cc(ccn1)C=O 62a_100000210211_100011290808 [0,2,0,0,0,0|1,0,0]=3 28848 B13R1.666 CCCCSc1cc(ccn1)C=O 62a_100011290808_100000210210 [0,2,0,0,0,0|1,0,0]=3 28849 B13R1.666 CCCCSc1cc(ccn1)CC 62a_100000210211_100009817561 [0,2,0,0,0,0|1,0,0]=3 28850 B13R1.666 CCCCSc1cc(ccn1)CC 62a_100009817561_100000210210 [0,2,0,0,0,0|1,0,0]=3 28851 B13R1.666 CCCCSc1cc(ccn1)CN 62a_100000210211_100025757509 [0,2,0,0,0,0|1,0,0]=3 28852 B13R1.666 CCCCSc1cc(ccn1)CN 62a_100025757509_100000210210 [0,2,0,0,0,0|1,0,0]=3 28853 B13R1.666 CCCCSc1cc(ccn1)CO 62a_100000210211_100009814636 [0,2,0,0,0,0|1,0,0]=3 28854 B13R1.666 CCCCSc1cc(ccn1)CO 62a_100009814636_100000210210 [0,2,0,0,0,0|1,0,0]=3 28855 B13R1.666 CCCCSc1cc(ccn1)NC 62a_100000210211_100009869472 [0,2,0,0,0,0|1,0,0]=3 28856 B13R1.666 CCCCSc1cc(ccn1)NC 62a_100009869472_100000210210 [0,2,0,0,0,0|1,0,0]=3 28857 B13R1.666 CCCCSc1cc(ccn1)NN 62a_100000089018_100000210210 [0,2,0,0,0,0|1,0,0]=3 28858 B13R1.666 CCCCSc1cc(ccn1)NN 62a_100000210211_100000089018 [0,2,0,0,0,0|1,0,0]=3 28859 B13R1.666 CCCCSc1cc(ccn1)OC 62a_100000210211_100011216251 [0,2,0,0,0,0|1,0,0]=3 28860 B13R1.666 CCCCSc1cc(ccn1)OC 62a_100009817693_100000210210 [0,2,0,0,0,0|1,0,0]=3 28861 B13R1.666 CCCCSc1cc(ccn1)SC 62a_100000210211_100010883326 [0,2,0,0,0,0|1,0,0]=3 28862 B13R1.666 CCCCSc1cc(ccn1)SC 62a_100010883326_100000210210 [0,2,0,0,0,0|1,0,0]=3 28863 B13R1.666 CCCCSc1cc(cnn1)OC 62a_100000210211_100000087634 [0,2,0,0,0,0|2,0,0]=4 28864 B13R1.666 CCCCSc1cc(ncn1)C#N 62a_100000210211_100000092509 [0,2,0,0,0,0|2,0,0]=4 28865 B13R1.666 CCCCSc1cc(ncn1)CC 62a_100000210211_100000744278 [0,2,0,0,0,0|2,0,0]=4 28866 B13R1.666 CCCCSc1cc(ncn1)CC 62a_100000744278_100000210210 [0,2,0,0,0,0|2,0,0]=4 28867 B13R1.666 CCCCSc1cc(ncn1)CO 62a_100000210211_100000731546 [0,2,0,0,0,0|2,0,0]=4 28868 B13R1.666 CCCCSc1cc(ncn1)CO 62a_100000731546_100000210210 [0,2,0,0,0,0|2,0,0]=4 28869 B13R1.666 CCCCSc1cc(ncn1)NC 62a_100000210211_100000756605 [0,2,0,0,0,0|2,0,0]=4 28870 B13R1.666 CCCCSc1cc(ncn1)NC 62a_100000756605_100000210210 [0,2,0,0,0,0|2,0,0]=4 28871 B13R1.666 CCCCSc1cc(ncn1)NN 62a_100000210211_100000242035 [0,2,0,0,0,0|2,0,0]=4 28872 B13R1.666 CCCCSc1cc(ncn1)NN 62a_100000242035_100000210210 [0,2,0,0,0,0|2,0,0]=4 28873 B13R1.666 CCCCSc1cc(ncn1)OC 62a_100000049997_100000210210 [0,2,0,0,0,0|2,0,0]=4 28874 B13R1.666 CCCCSc1cc(ncn1)OC 62a_100000210211_100000049997 [0,2,0,0,0,0|2,0,0]=4 28875 B13R1.666 CCCCSc1cc(ncn1)SC 62a_100000210211_100011443430 [0,2,0,0,0,0|2,0,0]=4 28876 B13R1.666 CCCCSc1cc(ncn1)SC 62a_100011443430_100000210210 [0,2,0,0,0,0|2,0,0]=4 28877 B13R1.666 CCCCSc1cccc(c1)C#N 62a_100000210211_100000189340 [0,2,0,0,0,0|2,0,0]=4 28878 B13R1.666 CCCCSc1cccc(c1)C=O 62a_100000014684_100000210210 [0,2,0,0,0,0|2,0,0]=4 28879 B13R1.666 CCCCSc1cccc(c1)C=O 62a_100000210211_100000014684 [0,2,0,0,0,0|2,0,0]=4 28880 B13R1.666 CCCCSc1cccc(c1)CC 62a_100000210211_100011263222 [0,2,0,0,0,0|2,0,0]=4 28881 B13R1.666 CCCCSc1cccc(c1)CC 62a_100011263222_100000210210 [0,2,0,0,0,0|2,0,0]=4 28882 B13R1.666 CCCCSc1cccc(c1)CF 62a_100000210211_100010878472 [0,2,0,0,0,0|2,0,0]=4 28883 B13R1.666 CCCCSc1cccc(c1)CF 62a_100010878472_100000210210 [0,2,0,0,0,0|2,0,0]=4 28884 B13R1.666 CCCCSc1cccc(c1)CN 62a_100000106179_100000210210 [0,2,0,0,0,0|2,0,0]=4 28885 B13R1.666 CCCCSc1cccc(c1)CN 62a_100000210211_100000106179 [0,2,0,0,0,0|2,0,0]=4 28886 B13R1.666 CCCCSc1cccc(c1)CO 62a_100000210211_100000687537 [0,2,0,0,0,0|2,0,0]=4 28887 B13R1.666 CCCCSc1cccc(c1)CO 62a_100000687537_100000210210 [0,2,0,0,0,0|2,0,0]=4 28888 B13R1.666 CCCCSc1cccc(c1)NC 62a_100000210211_100000219648 [0,2,0,0,0,0|2,0,0]=4 28889 B13R1.666 CCCCSc1cccc(c1)NC 62a_100000219648_100000210210 [0,2,0,0,0,0|2,0,0]=4 28890 B13R1.666 CCCCSc1cccc(c1)NN 62a_100000210211_100000217339 [0,2,0,0,0,0|2,0,0]=4 28891 B13R1.666 CCCCSc1cccc(c1)NN 62a_100000217339_100000210210 [0,2,0,0,0,0|2,0,0]=4 28892 B13R1.666 CCCCSc1cccc(c1)OC 62a_100000210211_100000170001 [0,2,0,0,0,0|2,0,0]=4 28893 B13R1.666 CCCCSc1cccc(c1)SC 62a_100000210211_100011215954 [0,2,0,0,0,0|2,0,0]=4 28894 B13R1.666 CCCCSc1cccc(c1)SC 62a_100010128134_200000210301 [0,2,0,0,0,0|2,0,0]=4 28895 B13R1.666 CCCCSc1cccc(c1)SC 62a_100011215954_100000210210 [0,2,0,0,0,0|2,0,0]=4 28896 B13R1.666 CCCCSc1cccc(c1)SC 62a_200000210301_100010128134 [0,2,0,0,0,0|2,0,0]=4 28897 B13R1.666 CCCCSc1cccc(c1)S[13CH3] 62a_100010128134_200025704644 [0,2,0,0,0,0|2,0,0]=4 28898 B13R1.666 CCCCSc1cccc(c1)S[13CH3] 62a_200025704644_100010128134 [0,2,0,0,0,0|2,0,0]=4 28899 B13R1.666 CCCCSc1cccc(n1)C#N 62a_100000210211_100011934037 [0,2,0,0,0,0|1,0,0]=3 28900 B13R1.666 CCCCSc1cccc(n1)C=O 62a_100000210211_100000688028 [0,2,0,0,0,0|1,0,0]=3 28901 B13R1.666 CCCCSc1cccc(n1)C=O 62a_100000688028_100000210210 [0,2,0,0,0,0|1,0,0]=3 28902 B13R1.666 CCCCSc1cccc(n1)CC 62a_100000210211_100009856026 [0,2,0,0,0,0|1,0,0]=3 28903 B13R1.666 CCCCSc1cccc(n1)CC 62a_100009856026_100000210210 [0,2,0,0,0,0|1,0,0]=3 28904 B13R1.666 CCCCSc1cccc(n1)CN 62a_100000210211_100016990191 [0,2,0,0,0,0|1,0,0]=3 28905 B13R1.666 CCCCSc1cccc(n1)CN 62a_100016990191_100000210210 [0,2,0,0,0,0|1,0,0]=3 28906 B13R1.666 CCCCSc1cccc(n1)CO 62a_100000210211_100000694195 [0,2,0,0,0,0|1,0,0]=3 28907 B13R1.666 CCCCSc1cccc(n1)CO 62a_100000694195_100000210210 [0,2,0,0,0,0|1,0,0]=3 28908 B13R1.666 CCCCSc1cccc(n1)NC 62a_100000210211_100000703281 [0,2,0,0,0,0|1,0,0]=3 28909 B13R1.666 CCCCSc1cccc(n1)NC 62a_100000703281_100000210210 [0,2,0,0,0,0|1,0,0]=3 28910 B13R1.666 CCCCSc1cccc(n1)NN 62a_100000210211_100009817029 [0,2,0,0,0,0|1,0,0]=3 28911 B13R1.666 CCCCSc1cccc(n1)NN 62a_100009817029_100000210210 [0,2,0,0,0,0|1,0,0]=3 28912 B13R1.666 CCCCSc1cccc(n1)OC 62a_100000210211_100000760917 [0,2,0,0,0,0|1,0,0]=3 28913 B13R1.666 CCCCSc1cccc(n1)OC 62a_100000760917_100000210210 [0,2,0,0,0,0|1,0,0]=3 28914 B13R1.666 CCCCSc1cccc(n1)SC 62a_100000210211_100011960944 [0,2,0,0,0,0|1,0,0]=3 28915 B13R1.666 CCCCSc1cccc(n1)SC 62a_100011960944_100000210210 [0,2,0,0,0,0|1,0,0]=3 28916 B13R1.666 CCCCSc1ccnc(n1)C#N 62a_100000210211_100000092507 [0,2,0,0,0,0|2,0,0]=4 28917 B13R1.666 CCCCSc1ccnc(n1)NC 62a_100000210211_100012000420 [0,2,0,0,0,0|2,0,0]=4 28918 B13R1.666 CCCCSc1ccnc(n1)NC 62a_100012000420_100000210210 [0,2,0,0,0,0|2,0,0]=4 28919 B13R1.666 CCCCSc1ccnc(n1)OC 62a_100000069072_100000210210 [0,2,0,0,0,0|2,0,0]=4 28920 B13R1.666 CCCCSc1ccnc(n1)OC 62a_100000210211_100000069072 [0,2,0,0,0,0|2,0,0]=4 28921 B13R1.666 CCCCSc1ccnc(n1)SC 62a_100000032126_100000210210 [0,2,0,0,0,0|2,0,0]=4 28922 B13R1.666 CCCCSc1ccnc(n1)SC 62a_100000210211_100000032126 [0,2,0,0,0,0|2,0,0]=4 28923 B13R1.666 CCCCSc1cncc(n1)C#N 62a_100000210211_100009817212 [0,2,0,0,0,0|2,0,0]=4 28924 B13R1.666 CCCCSc1cncc(n1)CO 62a_100000210211_100009853123 [0,2,0,0,0,0|2,0,0]=4 28925 B13R1.666 CCCCSc1cncc(n1)CO 62a_100009853123_100000210210 [0,2,0,0,0,0|2,0,0]=4 28926 B13R1.666 CCCCSc1cncc(n1)NC 62a_100000210211_100011529438 [0,2,0,0,0,0|2,0,0]=4 28927 B13R1.666 CCCCSc1cncc(n1)NC 62a_100011529438_100000210210 [0,2,0,0,0,0|2,0,0]=4 28928 B13R1.666 CCCCSc1cncc(n1)NN 62a_100000210211_100102525095 [0,2,0,0,0,0|2,0,0]=4 28929 B13R1.666 CCCCSc1cncc(n1)NN 62a_100102525095_100000210210 [0,2,0,0,0,0|2,0,0]=4 28930 B13R1.666 CCCCSc1cncc(n1)OC 62a_100000210211_100000756030 [0,2,0,0,0,0|2,0,0]=4 28931 B13R1.666 CCCCSc1cncc(n1)OC 62a_100000756030_100000210210 [0,2,0,0,0,0|2,0,0]=4 28932 B13R1.666 CCCCSc1nccc(n1)C#N 62a_100000210211_100000066186 [0,2,0,0,0,0|2,0,0]=4 28933 B13R1.666 CCCCSc1nccc(n1)CC 62a_100000100215_100000210210 [0,2,0,0,0,0|2,0,0]=4 28934 B13R1.666 CCCCSc1nccc(n1)CC 62a_100000210211_100000100215 [0,2,0,0,0,0|2,0,0]=4 28935 B13R1.666 CCCCSc1nccc(n1)NC 62a_100000210211_100011649947 [0,2,0,0,0,0|2,0,0]=4 28936 B13R1.666 CCCCSc1nccc(n1)NC 62a_100011649947_100000210210 [0,2,0,0,0,0|2,0,0]=4 28937 B13R1.666 CCCCSc1nccc(n1)OC 62a_100000182009_100000210210 [0,2,0,0,0,0|2,0,0]=4 28938 B13R1.666 CCCCSc1nccc(n1)OC 62a_100000210211_100000182009 [0,2,0,0,0,0|2,0,0]=4 28939 B13R1.666 CCCCSc1nccc(n1)SC 62a_100000210211_100011650323 [0,2,0,0,0,0|2,0,0]=4 28940 B13R1.666 CCCCSc1nccc(n1)SC 62a_100011650323_100000210210 [0,2,0,0,0,0|2,0,0]=4 28941 B13R1.666 CCCNCc1cc(ccn1)C#N 270004a_100020643023_100009883299 [0,2,0,0,0,0|1,0,0]=3 28942 B13R1.666 CCCNCc1cc(ccn1)OC 207a_100020643023_100000087537 [0,2,0,0,0,0|1,0,0]=3 28943 B13R1.666 CCCNCc1cc(ccn1)OC 270004a_100020643023_100000087537 [0,2,0,0,0,0|1,0,0]=3 28944 B13R1.666 CCCNCc1cccc(c1)C#N 207a_100020643023_100000241001 [0,2,0,0,0,0|2,0,0]=4 28945 B13R1.666 CCCNCc1cccc(c1)C#N 270004a_100020643023_100000241001 [0,2,0,0,0,0|2,0,0]=4 28946 B13R1.666 CCCNCc1cccc(c1)C#N 34a_100000755147_100000210303 [0,2,0,0,0,0|2,0,0]=4 28947 B13R1.666 CCCNCc1cccc(c1)CC 207a_100020643023_100011999841 [0,2,0,0,0,0|2,0,0]=4 28948 B13R1.666 CCCNCc1cccc(c1)CC 270004a_100020643023_100011999841 [0,2,0,0,0,0|2,0,0]=4 28949 B13R1.666 CCCNCc1cccc(c1)CO 207a_100020643023_200000050894 [0,2,0,0,0,0|2,0,0]=4 28950 B13R1.666 CCCNCc1cccc(c1)CO 2230a_100011269909_100000210303 [0,2,0,0,0,0|2,0,0]=4 28951 B13R1.666 CCCNCc1cccc(c1)CO 270004a_100020643023_200000050894 [0,2,0,0,0,0|2,0,0]=4 28952 B13R1.666 CCCNCc1cccc(c1)CO 34a_100011269909_100000210303 [0,2,0,0,0,0|2,0,0]=4 28953 B13R1.666 CCCNCc1cccc(c1)OC 207a_100020643023_100000170238 [0,2,0,0,0,0|2,0,0]=4 28954 B13R1.666 CCCNCc1cccc(c1)OC 2230a_100000174954_100000210303 [0,2,0,0,0,0|2,0,0]=4 28955 B13R1.666 CCCNCc1cccc(c1)OC 270004a_100020643023_100000170238 [0,2,0,0,0,0|2,0,0]=4 28956 B13R1.666 CCCNCc1cccc(c1)OC 34a_100000174954_100000210303 [0,2,0,0,0,0|2,0,0]=4 28957 B13R1.666 CCCNCc1cccc(c1)SC 207a_100020643023_100011935093 [0,2,0,0,0,0|2,0,0]=4 28958 B13R1.666 CCCNCc1cccc(c1)SC 270004a_100020643023_100011935093 [0,2,0,0,0,0|2,0,0]=4 28959 B13R1.666 CCCNCc1cccc(c1)SC 62a_100015184641_200000210301 [0,2,0,0,0,0|2,0,0]=4 28960 B13R1.666 CCCNCc1cccc(c1)SC 62a_200000210301_100015184641 [0,2,0,0,0,0|2,0,0]=4 28961 B13R1.666 CCCNCc1cccc(c1)S[13CH3] 62a_100015184641_200025704644 [0,2,0,0,0,0|2,0,0]=4 28962 B13R1.666 CCCNCc1cccc(c1)S[13CH3] 62a_200025704644_100015184641 [0,2,0,0,0,0|2,0,0]=4 28963 B13R1.666 CCCNCc1cccc(n1)CF 207a_100020643023_100016121940 [0,2,0,0,0,0|1,0,0]=3 28964 B13R1.666 CCCNCc1cccc(n1)CF 270004a_100020643023_100016121940 [0,2,0,0,0,0|1,0,0]=3 28965 B13R1.666 CCCNCc1cccc(n1)CO 207a_100020643023_200000070131 [0,2,0,0,0,0|1,0,0]=3 28966 B13R1.666 CCCNCc1cccc(n1)CO 270004a_100020643023_200000070131 [0,2,0,0,0,0|1,0,0]=3 28967 B13R1.666 CCCNCc1cccc(n1)OC 207a_100020643023_100000694346 [0,2,0,0,0,0|1,0,0]=3 28968 B13R1.666 CCCNCc1cccc(n1)OC 2230a_100000746380_100000210303 [0,2,0,0,0,0|1,0,0]=3 28969 B13R1.666 CCCNCc1cccc(n1)OC 270004a_100020643023_100000694346 [0,2,0,0,0,0|1,0,0]=3 28970 B13R1.666 CCCOCc1cc(ccn1)CN 34a_100020589248_100000210303 [0,2,0,0,0,0|1,0,0]=3 28971 B13R1.666 CCCOCc1cc(ccn1)OC 34a_100000210258_100000752681 [0,2,0,0,0,0|1,0,0]=3 28972 B13R1.666 CCCOCc1cc(ccn1)OC 34a_100000749536_100000210303 [0,2,0,0,0,0|1,0,0]=3 28973 B13R1.666 CCCOCc1cccc(c1)C#N 34a_100000210258_100000233786 [0,2,0,0,0,0|2,0,0]=4 28974 B13R1.666 CCCOCc1cccc(c1)C#N 34a_100000753308_100000210303 [0,2,0,0,0,0|2,0,0]=4 28975 B13R1.666 CCCOCc1cccc(c1)C#N 7a_100000753308_100000210303 [0,2,0,0,0,0|2,0,0]=4 28976 B13R1.666 CCCOCc1cccc(c1)C=O 34a_100000210258_100009816774 [0,2,0,0,0,0|2,0,0]=4 28977 B13R1.666 CCCOCc1cccc(c1)CBr 34a_100010188025_100000210303 [0,2,0,0,0,0|2,0,0]=4 28978 B13R1.666 CCCOCc1cccc(c1)CBr 7a_100010188025_100000210303 [0,2,0,0,0,0|2,0,0]=4 28979 B13R1.666 CCCOCc1cccc(c1)CCl 34a_200000090956_100000210303 [0,2,0,0,0,0|2,0,0]=4 28980 B13R1.666 CCCOCc1cccc(c1)CCl 7a_200000090956_100000210303 [0,2,0,0,0,0|2,0,0]=4 28981 B13R1.666 CCCOCc1cccc(c1)CN 34a_100011269909_100000210303 [0,2,0,0,0,0|2,0,0]=4 28982 B13R1.666 CCCOCc1cccc(c1)CO 34a_100000210258_100010188025 [0,2,0,0,0,0|2,0,0]=4 28983 B13R1.666 CCCOCc1cccc(c1)OC 34a_100000198976_100000210303 [0,2,0,0,0,0|2,0,0]=4 28984 B13R1.666 CCCOCc1cccc(c1)OC 34a_100000210258_100000688526 [0,2,0,0,0,0|2,0,0]=4 28985 B13R1.666 CCCOCc1cccc(n1)C#N 34a_100000210258_100000097530 [0,2,0,0,0,0|1,0,0]=3 28986 B13R1.666 CCCOCc1cccc(n1)C#N 7a_200000085287_100000210303 [0,2,0,0,0,0|1,0,0]=3 28987 B13R1.666 CCCOCc1cccc(n1)CO 34a_100000210258_100009813551 [0,2,0,0,0,0|1,0,0]=3 28988 B13R1.666 CCCOCc1cccc(n1)OC 34a_100000210258_100000755263 [0,2,0,0,0,0|1,0,0]=3 28989 B13R1.666 CCCOCc1ccnc(n1)SC 7a_100009868414_100000210303 [0,2,0,0,0,0|2,0,0]=4 28990 B13R1.666 CCCSCc1cc(ccn1)OC 62a_100000210303_100000752681 [0,2,0,0,0,0|1,0,0]=3 28991 B13R1.666 CCCSCc1cc(ccn1)OC 62a_100000752681_100000210303 [0,2,0,0,0,0|1,0,0]=3 28992 B13R1.666 CCCSCc1cccc(c1)C#N 62a_100000210303_100000233786 [0,2,0,0,0,0|2,0,0]=4 28993 B13R1.666 CCCSCc1cccc(c1)C=O 62a_100000210303_100009816774 [0,2,0,0,0,0|2,0,0]=4 28994 B13R1.666 CCCSCc1cccc(c1)C=O 62a_100009816774_100000210303 [0,2,0,0,0,0|2,0,0]=4 28995 B13R1.666 CCCSCc1cccc(c1)CO 62a_100000210303_100010188025 [0,2,0,0,0,0|2,0,0]=4 28996 B13R1.666 CCCSCc1cccc(c1)CO 62a_100010188025_100000210303 [0,2,0,0,0,0|2,0,0]=4 28997 B13R1.666 CCCSCc1cccc(c1)OC 62a_100000210303_100000211672 [0,2,0,0,0,0|2,0,0]=4 28998 B13R1.666 CCCSCc1cccc(c1)OC 62a_100000688526_100000210303 [0,2,0,0,0,0|2,0,0]=4 28999 B13R1.666 CCCSCc1cccc(n1)C#N 62a_100000210303_100000097530 [0,2,0,0,0,0|1,0,0]=3 29000 B13R1.666 CCCSCc1cccc(n1)CO 62a_100000210303_100009813551 [0,2,0,0,0,0|1,0,0]=3 29001 B13R1.666 CCCSCc1cccc(n1)CO 62a_100009813551_100000210303 [0,2,0,0,0,0|1,0,0]=3 29002 B13R1.666 CCCSCc1cccc(n1)OC 62a_100000210303_100000755263 [0,2,0,0,0,0|1,0,0]=3 29003 B13R1.666 CCCSCc1cccc(n1)OC 62a_100000755263_100000210303 [0,2,0,0,0,0|1,0,0]=3 29004 B13R1.666 CCNCCc1cccc(c1)OC 2230a_100000740386_100000210202 [0,2,0,0,0,0|2,0,0]=4 29005 B13R1.666 CCNCCc1cccc(c1)OC 2230a_100015525214_100011713679 [0,2,0,0,0,0|2,0,0]=4 29006 B13R1.666 CCNCCc1cccc(c1)OC 34a_100000740386_100000210202 [0,2,0,0,0,0|2,0,0]=4 29007 B13R1.666 CCOCCc1cccc(c1)C#N 34a_100012001419_100000210202 [0,2,0,0,0,0|2,0,0]=4 29008 B13R1.666 CCOCCc1cccc(c1)C#N 7a_100012001419_100000210202 [0,2,0,0,0,0|2,0,0]=4 29009 B13R1.666 CCOCCc1cccc(c1)OC 34a_100011215300_100000210202 [0,2,0,0,0,0|2,0,0]=4 29010 B13R1.666 CCOCCc1cccc(c1)OC 34a_100121572206_100011713679 [0,2,0,0,0,0|2,0,0]=4 29011 B13R1.666 CCOCCc1cccc(c1)OC 7a_100011215300_100000210202 [0,2,0,0,0,0|2,0,0]=4 29012 B13R1.666 CCOCSc1cc(ccn1)C#N 62a_100000739092_100011291639 [0,2,0,0,0,0|2,0,0]=4 29013 B13R1.666 CCOCSc1cc(ccn1)C=O 62a_100000739092_100011290808 [0,2,0,0,0,0|2,0,0]=4 29014 B13R1.666 CCOCSc1cc(ccn1)C=O 62a_100011290808_100000739092 [0,2,0,0,0,0|2,0,0]=4 29015 B13R1.666 CCOCSc1cc(ccn1)CC 62a_100000739092_100009817561 [0,2,0,0,0,0|2,0,0]=4 29016 B13R1.666 CCOCSc1cc(ccn1)CC 62a_100009817561_100000739092 [0,2,0,0,0,0|2,0,0]=4 29017 B13R1.666 CCOCSc1cc(ccn1)CN 62a_100000739092_100025757509 [0,2,0,0,0,0|2,0,0]=4 29018 B13R1.666 CCOCSc1cc(ccn1)CN 62a_100025757509_100000739092 [0,2,0,0,0,0|2,0,0]=4 29019 B13R1.666 CCOCSc1cc(ccn1)CO 62a_100000739092_100009814636 [0,2,0,0,0,0|2,0,0]=4 29020 B13R1.666 CCOCSc1cc(ccn1)CO 62a_100009814636_100000739092 [0,2,0,0,0,0|2,0,0]=4 29021 B13R1.666 CCOCSc1cc(ccn1)NC 62a_100000739092_100009869472 [0,2,0,0,0,0|2,0,0]=4 29022 B13R1.666 CCOCSc1cc(ccn1)NC 62a_100009869472_100000739092 [0,2,0,0,0,0|2,0,0]=4 29023 B13R1.666 CCOCSc1cc(ccn1)NN 62a_100000089018_100000739092 [0,2,0,0,0,0|2,0,0]=4 29024 B13R1.666 CCOCSc1cc(ccn1)NN 62a_100000739092_100000089018 [0,2,0,0,0,0|2,0,0]=4 29025 B13R1.666 CCOCSc1cc(ccn1)OC 62a_100000739092_100011216251 [0,2,0,0,0,0|2,0,0]=4 29026 B13R1.666 CCOCSc1cc(ccn1)OC 62a_100009817693_100000739092 [0,2,0,0,0,0|2,0,0]=4 29027 B13R1.666 CCOCSc1cc(ccn1)SC 62a_100000739092_100010883326 [0,2,0,0,0,0|2,0,0]=4 29028 B13R1.666 CCOCSc1cc(ccn1)SC 62a_100010883326_100000739092 [0,2,0,0,0,0|2,0,0]=4 29029 B13R1.666 CCOCSc1cccc(n1)C#N 62a_100000739092_100011934037 [0,2,0,0,0,0|2,0,0]=4 29030 B13R1.666 CCOCSc1cccc(n1)C=O 62a_100000688028_100000739092 [0,2,0,0,0,0|2,0,0]=4 29031 B13R1.666 CCOCSc1cccc(n1)C=O 62a_100000739092_100000688028 [0,2,0,0,0,0|2,0,0]=4 29032 B13R1.666 CCOCSc1cccc(n1)CC 62a_100000739092_100009856026 [0,2,0,0,0,0|2,0,0]=4 29033 B13R1.666 CCOCSc1cccc(n1)CC 62a_100009856026_100000739092 [0,2,0,0,0,0|2,0,0]=4 29034 B13R1.666 CCOCSc1cccc(n1)CN 62a_100000739092_100016990191 [0,2,0,0,0,0|2,0,0]=4 29035 B13R1.666 CCOCSc1cccc(n1)CN 62a_100016990191_100000739092 [0,2,0,0,0,0|2,0,0]=4 29036 B13R1.666 CCOCSc1cccc(n1)CO 62a_100000694195_100000739092 [0,2,0,0,0,0|2,0,0]=4 29037 B13R1.666 CCOCSc1cccc(n1)CO 62a_100000739092_100000694195 [0,2,0,0,0,0|2,0,0]=4 29038 B13R1.666 CCOCSc1cccc(n1)NC 62a_100000703281_100000739092 [0,2,0,0,0,0|2,0,0]=4 29039 B13R1.666 CCOCSc1cccc(n1)NC 62a_100000739092_100000703281 [0,2,0,0,0,0|2,0,0]=4 29040 B13R1.666 CCOCSc1cccc(n1)NN 62a_100000739092_100009817029 [0,2,0,0,0,0|2,0,0]=4 29041 B13R1.666 CCOCSc1cccc(n1)NN 62a_100009817029_100000739092 [0,2,0,0,0,0|2,0,0]=4 29042 B13R1.666 CCOCSc1cccc(n1)OC 62a_100000739092_100000760917 [0,2,0,0,0,0|2,0,0]=4 29043 B13R1.666 CCOCSc1cccc(n1)OC 62a_100000760917_100000739092 [0,2,0,0,0,0|2,0,0]=4 29044 B13R1.666 CCOCSc1cccc(n1)SC 62a_100000739092_100011960944 [0,2,0,0,0,0|2,0,0]=4 29045 B13R1.666 CCOCSc1cccc(n1)SC 62a_100011960944_100000739092 [0,2,0,0,0,0|2,0,0]=4 29046 B13R1.666 CCSCCc1cccc(c1)OC 62a_100000210202_100011713679 [0,2,0,0,0,0|2,0,0]=4 29047 B13R1.666 CCSCCc1cccc(c1)OC 62a_100011713679_100000210202 [0,2,0,0,0,0|2,0,0]=4 29048 B13R1.666 CCc1cccc(n1)SCCCF 62a_100009856026_100011934791 [0,2,0,0,0,0|2,0,0]=4 29049 B13R1.666 CCc1cccc(n1)SCCCF 62a_100011934791_100009856026 [0,2,0,0,0,0|2,0,0]=4 29050 B13R1.666 CCc1cccc(n1)SCCCO 62a_100009856026_100011215043 [0,2,0,0,0,0|2,0,0]=4 29051 B13R1.666 CCc1cccc(n1)SCCCO 62a_100011215043_100009856026 [0,2,0,0,0,0|2,0,0]=4 29052 B13R1.666 CCc1cccc(n1)SCCOC 62a_100000233755_100009856026 [0,2,0,0,0,0|2,0,0]=4 29053 B13R1.666 CCc1cccc(n1)SCCOC 62a_100009856026_100000233755 [0,2,0,0,0,0|2,0,0]=4 29054 B13R1.666 CCc1cccc(n1)SCCSC 62a_100000212216_100009856026 [0,2,0,0,0,0|2,0,0]=4 29055 B13R1.666 CCc1cccc(n1)SCCSC 62a_100009856026_100000751147 [0,2,0,0,0,0|2,0,0]=4 29056 B13R1.666 CCc1ccnc(c1)NCCCF 27a_100015189416_100009817561 [0,2,0,0,0,0|2,0,0]=4 29057 B13R1.666 CCc1ccnc(c1)NCCCO 27a_100000182051_100009817561 [0,2,0,0,0,0|2,0,0]=4 29058 B13R1.666 CCc1ccnc(c1)NCCOC 27a_100000209980_100009817561 [0,2,0,0,0,0|2,0,0]=4 29059 B13R1.666 CCc1ccnc(c1)NCCSC 27a_100020590264_100009817561 [0,2,0,0,0,0|2,0,0]=4 29060 B13R1.666 CCc1ccnc(c1)SCCCF 62a_100009817561_100011934791 [0,2,0,0,0,0|2,0,0]=4 29061 B13R1.666 CCc1ccnc(c1)SCCCF 62a_100011934791_100009817561 [0,2,0,0,0,0|2,0,0]=4 29062 B13R1.666 CCc1ccnc(c1)SCCCO 62a_100009817561_100011215043 [0,2,0,0,0,0|2,0,0]=4 29063 B13R1.666 CCc1ccnc(c1)SCCCO 62a_100011215043_100009817561 [0,2,0,0,0,0|2,0,0]=4 29064 B13R1.666 CCc1ccnc(c1)SCCOC 62a_100000233755_100009817561 [0,2,0,0,0,0|2,0,0]=4 29065 B13R1.666 CCc1ccnc(c1)SCCOC 62a_100009817561_100000233755 [0,2,0,0,0,0|2,0,0]=4 29066 B13R1.666 CCc1ccnc(c1)SCCSC 62a_100000212216_100009817561 [0,2,0,0,0,0|2,0,0]=4 29067 B13R1.666 CCc1ccnc(c1)SCCSC 62a_100009817561_100000751147 [0,2,0,0,0,0|2,0,0]=4 29068 B13R1.666 CNCCCc1cccc(c1)OC 2230a_100000750448_200000210301 [0,2,0,0,0,0|2,0,0]=4 29069 B13R1.666 CNCCCc1cccc(c1)OC 34a_100000750448_200000210301 [0,2,0,0,0,0|2,0,0]=4 29070 B13R1.666 CNc1cccc(n1)SCCCF 62a_100000703281_100011934791 [0,2,0,0,0,0|2,0,0]=4 29071 B13R1.666 CNc1cccc(n1)SCCCF 62a_100011934791_100000703281 [0,2,0,0,0,0|2,0,0]=4 29072 B13R1.666 CNc1cccc(n1)SCCCO 62a_100000703281_100011215043 [0,2,0,0,0,0|2,0,0]=4 29073 B13R1.666 CNc1cccc(n1)SCCCO 62a_100011215043_100000703281 [0,2,0,0,0,0|2,0,0]=4 29074 B13R1.666 CNc1cccc(n1)SCCOC 62a_100000233755_100000703281 [0,2,0,0,0,0|2,0,0]=4 29075 B13R1.666 CNc1cccc(n1)SCCOC 62a_100000703281_100000233755 [0,2,0,0,0,0|2,0,0]=4 29076 B13R1.666 CNc1cccc(n1)SCCSC 62a_100000212216_100000703281 [0,2,0,0,0,0|2,0,0]=4 29077 B13R1.666 CNc1cccc(n1)SCCSC 62a_100000703281_100000751147 [0,2,0,0,0,0|2,0,0]=4 29078 B13R1.666 CNc1ccnc(c1)SCCCF 62a_100009869472_100011934791 [0,2,0,0,0,0|2,0,0]=4 29079 B13R1.666 CNc1ccnc(c1)SCCCF 62a_100011934791_100009869472 [0,2,0,0,0,0|2,0,0]=4 29080 B13R1.666 CNc1ccnc(c1)SCCCO 62a_100009869472_100011215043 [0,2,0,0,0,0|2,0,0]=4 29081 B13R1.666 CNc1ccnc(c1)SCCCO 62a_100011215043_100009869472 [0,2,0,0,0,0|2,0,0]=4 29082 B13R1.666 CNc1ccnc(c1)SCCOC 62a_100000233755_100009869472 [0,2,0,0,0,0|2,0,0]=4 29083 B13R1.666 CNc1ccnc(c1)SCCOC 62a_100009869472_100000233755 [0,2,0,0,0,0|2,0,0]=4 29084 B13R1.666 CNc1ccnc(c1)SCCSC 62a_100000212216_100009869472 [0,2,0,0,0,0|2,0,0]=4 29085 B13R1.666 CNc1ccnc(c1)SCCSC 62a_100009869472_100000751147 [0,2,0,0,0,0|2,0,0]=4 29086 B13R1.666 COCCCc1cccc(c1)OC 34a_100000760512_200000210301 [0,2,0,0,0,0|2,0,0]=4 29087 B13R1.666 COCCCc1cccc(c1)OC 7a_100000760512_200000210301 [0,2,0,0,0,0|2,0,0]=4 29088 B13R1.666 COCCNc1cc(ccn1)C#N 27a_100000209980_100011291639 [0,2,0,0,0,0|2,0,0]=4 29089 B13R1.666 COCCNc1cccc(n1)C#N 27a_100000209980_100011934037 [0,2,0,0,0,0|2,0,0]=4 29090 B13R1.666 COCCOc1cc(ccn1)CN 34a_100000748557_100011201679 [0,2,0,0,0,0|2,0,0]=4 29091 B13R1.666 COCCOc1cc(ccn1)SC 62a_200000210301_200010734593 [0,2,0,0,0,0|2,0,0]=4 29092 B13R1.666 COCCOc1cc(ccn1)SC 62a_200010734593_200000210301 [0,2,0,0,0,0|2,0,0]=4 29093 B13R1.666 COCCOc1cc(ccn1)S[13CH3] 62a_200010734593_200025704644 [0,2,0,0,0,0|2,0,0]=4 29094 B13R1.666 COCCOc1cc(ccn1)S[13CH3] 62a_200025704644_200010734593 [0,2,0,0,0,0|2,0,0]=4 29095 B13R1.666 COCCSc1cc(ccn1)C#N 62a_100000233755_100011291639 [0,2,0,0,0,0|2,0,0]=4 29096 B13R1.666 COCCSc1cc(ccn1)C=O 62a_100000233755_100011290808 [0,2,0,0,0,0|2,0,0]=4 29097 B13R1.666 COCCSc1cc(ccn1)C=O 62a_100011290808_100000233755 [0,2,0,0,0,0|2,0,0]=4 29098 B13R1.666 COCCSc1cc(ccn1)CN 62a_100000233755_100025757509 [0,2,0,0,0,0|2,0,0]=4 29099 B13R1.666 COCCSc1cc(ccn1)CN 62a_100025757509_100000233755 [0,2,0,0,0,0|2,0,0]=4 29100 B13R1.666 COCCSc1cc(ccn1)CO 62a_100000233755_100009814636 [0,2,0,0,0,0|2,0,0]=4 29101 B13R1.666 COCCSc1cc(ccn1)CO 62a_100009814636_100000233755 [0,2,0,0,0,0|2,0,0]=4 29102 B13R1.666 COCCSc1cc(ccn1)NN 62a_100000089018_100000233755 [0,2,0,0,0,0|2,0,0]=4 29103 B13R1.666 COCCSc1cc(ccn1)NN 62a_100000233755_100000089018 [0,2,0,0,0,0|2,0,0]=4 29104 B13R1.666 COCCSc1cc(ccn1)OC 62a_100000233755_100011216251 [0,2,0,0,0,0|2,0,0]=4 29105 B13R1.666 COCCSc1cc(ccn1)OC 62a_100009817693_100000233755 [0,2,0,0,0,0|2,0,0]=4 29106 B13R1.666 COCCSc1cc(ccn1)SC 62a_100000233755_100010883326 [0,2,0,0,0,0|2,0,0]=4 29107 B13R1.666 COCCSc1cc(ccn1)SC 62a_100010883326_100000233755 [0,2,0,0,0,0|2,0,0]=4 29108 B13R1.666 COCCSc1cccc(n1)C#N 62a_100000233755_100011934037 [0,2,0,0,0,0|2,0,0]=4 29109 B13R1.666 COCCSc1cccc(n1)C=O 62a_100000233755_100000688028 [0,2,0,0,0,0|2,0,0]=4 29110 B13R1.666 COCCSc1cccc(n1)C=O 62a_100000688028_100000233755 [0,2,0,0,0,0|2,0,0]=4 29111 B13R1.666 COCCSc1cccc(n1)CN 62a_100000233755_100016990191 [0,2,0,0,0,0|2,0,0]=4 29112 B13R1.666 COCCSc1cccc(n1)CN 62a_100016990191_100000233755 [0,2,0,0,0,0|2,0,0]=4 29113 B13R1.666 COCCSc1cccc(n1)CO 62a_100000233755_100000694195 [0,2,0,0,0,0|2,0,0]=4 29114 B13R1.666 COCCSc1cccc(n1)CO 62a_100000694195_100000233755 [0,2,0,0,0,0|2,0,0]=4 29115 B13R1.666 COCCSc1cccc(n1)NN 62a_100000233755_100009817029 [0,2,0,0,0,0|2,0,0]=4 29116 B13R1.666 COCCSc1cccc(n1)NN 62a_100009817029_100000233755 [0,2,0,0,0,0|2,0,0]=4 29117 B13R1.666 COCCSc1cccc(n1)OC 62a_100000233755_100000760917 [0,2,0,0,0,0|2,0,0]=4 29118 B13R1.666 COCCSc1cccc(n1)OC 62a_100000760917_100000233755 [0,2,0,0,0,0|2,0,0]=4 29119 B13R1.666 COCCSc1cccc(n1)SC 62a_100000233755_100011960944 [0,2,0,0,0,0|2,0,0]=4 29120 B13R1.666 COCCSc1cccc(n1)SC 62a_100011960944_100000233755 [0,2,0,0,0,0|2,0,0]=4 29121 B13R1.666 COCNCc1cccc(n1)OC 2230a_100000746380_100000766300 [0,2,0,0,0,0|2,0,0]=4 29122 B13R1.666 COCSCc1cc(ccn1)OC 62a_100000752681_100000766300 [0,2,0,0,0,0|2,0,0]=4 29123 B13R1.666 COCSCc1cc(ccn1)OC 62a_100000766300_100000752681 [0,2,0,0,0,0|2,0,0]=4 29124 B13R1.666 COCSCc1cccc(n1)C#N 62a_100000766300_100000097530 [0,2,0,0,0,0|2,0,0]=4 29125 B13R1.666 COCSCc1cccc(n1)CO 62a_100000766300_100009813551 [0,2,0,0,0,0|2,0,0]=4 29126 B13R1.666 COCSCc1cccc(n1)CO 62a_100009813551_100000766300 [0,2,0,0,0,0|2,0,0]=4 29127 B13R1.666 COCSCc1cccc(n1)OC 62a_100000755263_100000766300 [0,2,0,0,0,0|2,0,0]=4 29128 B13R1.666 COCSCc1cccc(n1)OC 62a_100000766300_100000755263 [0,2,0,0,0,0|2,0,0]=4 29129 B13R1.666 COc1cccc(c1)CCCN[13CH3] 2230a_100000750448_200025704644 [0,2,0,0,0,0|2,0,0]=4 29130 B13R1.666 COc1cccc(c1)CCCN[13CH3] 34a_100000750448_200025704644 [0,2,0,0,0,0|2,0,0]=4 29131 B13R1.666 COc1cccc(c1)CCCO[13CH3] 34a_100000760512_200025704644 [0,2,0,0,0,0|2,0,0]=4 29132 B13R1.666 COc1cccc(c1)CCCO[13CH3] 7a_100000760512_200025704644 [0,2,0,0,0,0|2,0,0]=4 29133 B13R1.666 COc1cccc(n1)CNCCF 2230a_100000746380_100011217306 [0,2,0,0,0,0|2,0,0]=4 29134 B13R1.666 COc1cccc(n1)CNCCF 34a_100000724931_100000755263 [0,2,0,0,0,0|2,0,0]=4 29135 B13R1.666 COc1cccc(n1)CNCCO 207a_100000210304_100000694346 [0,2,0,0,0,0|2,0,0]=4 29136 B13R1.666 COc1cccc(n1)CNCCO 2230a_100000746380_100000211926 [0,2,0,0,0,0|2,0,0]=4 29137 B13R1.666 COc1cccc(n1)CNCCO 2230a_100016997473_100000755263 [0,2,0,0,0,0|2,0,0]=4 29138 B13R1.666 COc1cccc(n1)CNCCO 270004a_100000210304_100000694346 [0,2,0,0,0,0|2,0,0]=4 29139 B13R1.666 COc1cccc(n1)CNCCO 34a_100016990907_100000755263 [0,2,0,0,0,0|2,0,0]=4 29140 B13R1.666 COc1cccc(n1)CNCSC 2230a_100000746380_100011218213 [0,2,0,0,0,0|2,0,0]=4 29141 B13R1.666 COc1cccc(n1)COCCBr 34a_100000211926_100000755263 [0,2,0,0,0,0|2,0,0]=4 29142 B13R1.666 COc1cccc(n1)COCCN 34a_100000210304_100000755263 [0,2,0,0,0,0|2,0,0]=4 29143 B13R1.666 COc1cccc(n1)CSCCF 62a_100000755263_100011217306 [0,2,0,0,0,0|2,0,0]=4 29144 B13R1.666 COc1cccc(n1)CSCCF 62a_100011217306_100000755263 [0,2,0,0,0,0|2,0,0]=4 29145 B13R1.666 COc1cccc(n1)CSCCO 62a_100000211926_100000755263 [0,2,0,0,0,0|2,0,0]=4 29146 B13R1.666 COc1cccc(n1)CSCCO 62a_100000755263_100000211926 [0,2,0,0,0,0|2,0,0]=4 29147 B13R1.666 COc1cccc(n1)CSCSC 62a_100000755263_100011218213 [0,2,0,0,0,0|2,0,0]=4 29148 B13R1.666 COc1cccc(n1)CSCSC 62a_100011218213_100000755263 [0,2,0,0,0,0|2,0,0]=4 29149 B13R1.666 COc1cccc(n1)SCCCF 62a_100000760917_100011934791 [0,2,0,0,0,0|2,0,0]=4 29150 B13R1.666 COc1cccc(n1)SCCCF 62a_100011934791_100000760917 [0,2,0,0,0,0|2,0,0]=4 29151 B13R1.666 COc1cccc(n1)SCCCO 62a_100000760917_100011215043 [0,2,0,0,0,0|2,0,0]=4 29152 B13R1.666 COc1cccc(n1)SCCCO 62a_100011215043_100000760917 [0,2,0,0,0,0|2,0,0]=4 29153 B13R1.666 COc1cccc(n1)SCCSC 62a_100000212216_100000760917 [0,2,0,0,0,0|2,0,0]=4 29154 B13R1.666 COc1cccc(n1)SCCSC 62a_100000760917_100000751147 [0,2,0,0,0,0|2,0,0]=4 29155 B13R1.666 COc1ccnc(c1)CNCCF 34a_100000724931_100000752681 [0,2,0,0,0,0|2,0,0]=4 29156 B13R1.666 COc1ccnc(c1)CNCCO 207a_100000210304_100000087537 [0,2,0,0,0,0|2,0,0]=4 29157 B13R1.666 COc1ccnc(c1)CNCCO 2230a_100016997473_100000752681 [0,2,0,0,0,0|2,0,0]=4 29158 B13R1.666 COc1ccnc(c1)CNCCO 270004a_100000210304_100000087537 [0,2,0,0,0,0|2,0,0]=4 29159 B13R1.666 COc1ccnc(c1)CNCCO 34a_100016990907_100000752681 [0,2,0,0,0,0|2,0,0]=4 29160 B13R1.666 COc1ccnc(c1)COCCBr 34a_100000211926_100000752681 [0,2,0,0,0,0|2,0,0]=4 29161 B13R1.666 COc1ccnc(c1)COCCF 34a_100000749536_100011217306 [0,2,0,0,0,0|2,0,0]=4 29162 B13R1.666 COc1ccnc(c1)COCCN 34a_100000210304_100000752681 [0,2,0,0,0,0|2,0,0]=4 29163 B13R1.666 COc1ccnc(c1)COCCO 34a_100000749536_100000211926 [0,2,0,0,0,0|2,0,0]=4 29164 B13R1.666 COc1ccnc(c1)COCSC 34a_100000749536_100011218213 [0,2,0,0,0,0|2,0,0]=4 29165 B13R1.666 COc1ccnc(c1)CSCCF 62a_100000752681_100011217306 [0,2,0,0,0,0|2,0,0]=4 29166 B13R1.666 COc1ccnc(c1)CSCCF 62a_100011217306_100000752681 [0,2,0,0,0,0|2,0,0]=4 29167 B13R1.666 COc1ccnc(c1)CSCCO 62a_100000211926_100000752681 [0,2,0,0,0,0|2,0,0]=4 29168 B13R1.666 COc1ccnc(c1)CSCCO 62a_100000752681_100000211926 [0,2,0,0,0,0|2,0,0]=4 29169 B13R1.666 COc1ccnc(c1)CSCSC 62a_100000752681_100011218213 [0,2,0,0,0,0|2,0,0]=4 29170 B13R1.666 COc1ccnc(c1)CSCSC 62a_100011218213_100000752681 [0,2,0,0,0,0|2,0,0]=4 29171 B13R1.666 COc1ccnc(c1)SCCCF 62a_100009817693_100011934791 [0,2,0,0,0,0|2,0,0]=4 29172 B13R1.666 COc1ccnc(c1)SCCCF 62a_100011934791_100011216251 [0,2,0,0,0,0|2,0,0]=4 29173 B13R1.666 COc1ccnc(c1)SCCCO 62a_100009817693_100011215043 [0,2,0,0,0,0|2,0,0]=4 29174 B13R1.666 COc1ccnc(c1)SCCCO 62a_100011215043_100011216251 [0,2,0,0,0,0|2,0,0]=4 29175 B13R1.666 COc1ccnc(c1)SCCSC 62a_100000212216_100011216251 [0,2,0,0,0,0|2,0,0]=4 29176 B13R1.666 COc1ccnc(c1)SCCSC 62a_100009817693_100000751147 [0,2,0,0,0,0|2,0,0]=4 29177 B13R1.666 CSCCNc1cc(ccn1)C#N 27a_100020590264_100011291639 [0,2,0,0,0,0|2,0,0]=4 29178 B13R1.666 CSCCNc1cccc(n1)C#N 27a_100020590264_100011934037 [0,2,0,0,0,0|2,0,0]=4 29179 B13R1.666 CSCCOc1cc(ccn1)CN 34a_100000748557_100000212216 [0,2,0,0,0,0|2,0,0]=4 29180 B13R1.666 CSCCSc1cc(ccn1)C#N 62a_100000212216_100011291639 [0,2,0,0,0,0|2,0,0]=4 29181 B13R1.666 CSCCSc1cc(ccn1)C=O 62a_100000212216_100011290808 [0,2,0,0,0,0|2,0,0]=4 29182 B13R1.666 CSCCSc1cc(ccn1)C=O 62a_100011290808_100000751147 [0,2,0,0,0,0|2,0,0]=4 29183 B13R1.666 CSCCSc1cc(ccn1)CN 62a_100000212216_100025757509 [0,2,0,0,0,0|2,0,0]=4 29184 B13R1.666 CSCCSc1cc(ccn1)CN 62a_100025757509_100000751147 [0,2,0,0,0,0|2,0,0]=4 29185 B13R1.666 CSCCSc1cc(ccn1)CO 62a_100000212216_100009814636 [0,2,0,0,0,0|2,0,0]=4 29186 B13R1.666 CSCCSc1cc(ccn1)CO 62a_100009814636_100000751147 [0,2,0,0,0,0|2,0,0]=4 29187 B13R1.666 CSCCSc1cc(ccn1)NN 62a_100000089018_100000751147 [0,2,0,0,0,0|2,0,0]=4 29188 B13R1.666 CSCCSc1cc(ccn1)NN 62a_100000212216_100000089018 [0,2,0,0,0,0|2,0,0]=4 29189 B13R1.666 CSCCSc1cc(ccn1)SC 62a_100000212216_100010883326 [0,2,0,0,0,0|2,0,0]=4 29190 B13R1.666 CSCCSc1cc(ccn1)SC 62a_100010883326_100000751147 [0,2,0,0,0,0|2,0,0]=4 29191 B13R1.666 CSCCSc1cccc(n1)C#N 62a_100000212216_100011934037 [0,2,0,0,0,0|2,0,0]=4 29192 B13R1.666 CSCCSc1cccc(n1)C=O 62a_100000212216_100000688028 [0,2,0,0,0,0|2,0,0]=4 29193 B13R1.666 CSCCSc1cccc(n1)C=O 62a_100000688028_100000751147 [0,2,0,0,0,0|2,0,0]=4 29194 B13R1.666 CSCCSc1cccc(n1)CN 62a_100000212216_100016990191 [0,2,0,0,0,0|2,0,0]=4 29195 B13R1.666 CSCCSc1cccc(n1)CN 62a_100016990191_100000751147 [0,2,0,0,0,0|2,0,0]=4 29196 B13R1.666 CSCCSc1cccc(n1)CO 62a_100000212216_100000694195 [0,2,0,0,0,0|2,0,0]=4 29197 B13R1.666 CSCCSc1cccc(n1)CO 62a_100000694195_100000751147 [0,2,0,0,0,0|2,0,0]=4 29198 B13R1.666 CSCCSc1cccc(n1)NN 62a_100000212216_100009817029 [0,2,0,0,0,0|2,0,0]=4 29199 B13R1.666 CSCCSc1cccc(n1)NN 62a_100009817029_100000751147 [0,2,0,0,0,0|2,0,0]=4 29200 B13R1.666 CSCCSc1cccc(n1)SC 62a_100000212216_100011960944 [0,2,0,0,0,0|2,0,0]=4 29201 B13R1.666 CSCCSc1cccc(n1)SC 62a_100011960944_100000751147 [0,2,0,0,0,0|2,0,0]=4 29202 B13R1.666 CSCOCc1cc(ccn1)CN 34a_100020589248_100011218213 [0,2,0,0,0,0|2,0,0]=4 29203 B13R1.666 CSCSCc1cccc(n1)C#N 62a_100011218213_100000097530 [0,2,0,0,0,0|2,0,0]=4 29204 B13R1.666 CSCSCc1cccc(n1)CO 62a_100009813551_100011218213 [0,2,0,0,0,0|2,0,0]=4 29205 B13R1.666 CSCSCc1cccc(n1)CO 62a_100011218213_100009813551 [0,2,0,0,0,0|2,0,0]=4 29206 B13R1.666 CSc1cccc(n1)SCCCF 62a_100011934791_100011960944 [0,2,0,0,0,0|2,0,0]=4 29207 B13R1.666 CSc1cccc(n1)SCCCF 62a_100011960944_100011934791 [0,2,0,0,0,0|2,0,0]=4 29208 B13R1.666 CSc1cccc(n1)SCCCO 62a_100011215043_100011960944 [0,2,0,0,0,0|2,0,0]=4 29209 B13R1.666 CSc1cccc(n1)SCCCO 62a_100011960944_100011215043 [0,2,0,0,0,0|2,0,0]=4 29210 B13R1.666 CSc1ccnc(c1)SCCCF 62a_100010883326_100011934791 [0,2,0,0,0,0|2,0,0]=4 29211 B13R1.666 CSc1ccnc(c1)SCCCF 62a_100011934791_100010883326 [0,2,0,0,0,0|2,0,0]=4 29212 B13R1.666 CSc1ccnc(c1)SCCCO 62a_100010883326_100011215043 [0,2,0,0,0,0|2,0,0]=4 29213 B13R1.666 CSc1ccnc(c1)SCCCO 62a_100011215043_100010883326 [0,2,0,0,0,0|2,0,0]=4 29214 B13R1.666 N#Cc1cccc(n1)CNCCF 34a_100000724931_100000097530 [0,2,0,0,0,0|2,0,0]=4 29215 B13R1.666 N#Cc1cccc(n1)CNCCO 2230a_100016997473_100000097530 [0,2,0,0,0,0|2,0,0]=4 29216 B13R1.666 N#Cc1cccc(n1)CNCCO 34a_100016990907_100000097530 [0,2,0,0,0,0|2,0,0]=4 29217 B13R1.666 N#Cc1cccc(n1)COCCBr 34a_100000211926_100000097530 [0,2,0,0,0,0|2,0,0]=4 29218 B13R1.666 N#Cc1cccc(n1)COCCF 7a_200000085287_100011217306 [0,2,0,0,0,0|2,0,0]=4 29219 B13R1.666 N#Cc1cccc(n1)COCCN 34a_100000210304_100000097530 [0,2,0,0,0,0|2,0,0]=4 29220 B13R1.666 N#Cc1cccc(n1)COCCO 7a_200000085287_100000211926 [0,2,0,0,0,0|2,0,0]=4 29221 B13R1.666 N#Cc1cccc(n1)CSCCF 62a_100011217306_100000097530 [0,2,0,0,0,0|2,0,0]=4 29222 B13R1.666 N#Cc1cccc(n1)CSCCO 62a_100000211926_100000097530 [0,2,0,0,0,0|2,0,0]=4 29223 B13R1.666 N#Cc1cccc(n1)NCCCF 27a_100015189416_100011934037 [0,2,0,0,0,0|2,0,0]=4 29224 B13R1.666 N#Cc1cccc(n1)NCCCO 27a_100000182051_100011934037 [0,2,0,0,0,0|2,0,0]=4 29225 B13R1.666 N#Cc1cccc(n1)SCCCF 62a_100011934791_100011934037 [0,2,0,0,0,0|2,0,0]=4 29226 B13R1.666 N#Cc1cccc(n1)SCCCO 62a_100011215043_100011934037 [0,2,0,0,0,0|2,0,0]=4 29227 B13R1.666 N#Cc1ccnc(c1)CNCCO 270004a_100000210304_100009883299 [0,2,0,0,0,0|2,0,0]=4 29228 B13R1.666 N#Cc1ccnc(c1)NCCCF 27a_100015189416_100011291639 [0,2,0,0,0,0|2,0,0]=4 29229 B13R1.666 N#Cc1ccnc(c1)NCCCO 27a_100000182051_100011291639 [0,2,0,0,0,0|2,0,0]=4 29230 B13R1.666 N#Cc1ccnc(c1)SCCCF 62a_100011934791_100011291639 [0,2,0,0,0,0|2,0,0]=4 29231 B13R1.666 N#Cc1ccnc(c1)SCCCO 62a_100011215043_100011291639 [0,2,0,0,0,0|2,0,0]=4 29232 B13R1.666 NCCOCc1cccc(n1)CO 34a_100000210304_100009813551 [0,2,0,0,0,0|2,0,0]=4 29233 B13R1.666 NCc1cccc(n1)SCCCF 62a_100011934791_100016990191 [0,2,0,0,0,0|2,0,0]=4 29234 B13R1.666 NCc1cccc(n1)SCCCF 62a_100016990191_100011934791 [0,2,0,0,0,0|2,0,0]=4 29235 B13R1.666 NCc1cccc(n1)SCCCO 62a_100011215043_100016990191 [0,2,0,0,0,0|2,0,0]=4 29236 B13R1.666 NCc1cccc(n1)SCCCO 62a_100016990191_100011215043 [0,2,0,0,0,0|2,0,0]=4 29237 B13R1.666 NCc1ccnc(c1)COCCF 34a_100020589248_100011217306 [0,2,0,0,0,0|2,0,0]=4 29238 B13R1.666 NCc1ccnc(c1)COCCO 34a_100020589248_100000211926 [0,2,0,0,0,0|2,0,0]=4 29239 B13R1.666 NCc1ccnc(c1)OCCCF 34a_100000748557_100011934791 [0,2,0,0,0,0|2,0,0]=4 29240 B13R1.666 NCc1ccnc(c1)OCCCO 34a_100000748557_100000230001 [0,2,0,0,0,0|2,0,0]=4 29241 B13R1.666 NCc1ccnc(c1)SCCCF 62a_100011934791_100025757509 [0,2,0,0,0,0|2,0,0]=4 29242 B13R1.666 NCc1ccnc(c1)SCCCF 62a_100025757509_100011934791 [0,2,0,0,0,0|2,0,0]=4 29243 B13R1.666 NCc1ccnc(c1)SCCCO 62a_100011215043_100025757509 [0,2,0,0,0,0|2,0,0]=4 29244 B13R1.666 NCc1ccnc(c1)SCCCO 62a_100025757509_100011215043 [0,2,0,0,0,0|2,0,0]=4 29245 B13R1.666 NNc1cccc(n1)SCCCF 62a_100009817029_100011934791 [0,2,0,0,0,0|2,0,0]=4 29246 B13R1.666 NNc1cccc(n1)SCCCF 62a_100011934791_100009817029 [0,2,0,0,0,0|2,0,0]=4 29247 B13R1.666 NNc1cccc(n1)SCCCO 62a_100009817029_100011215043 [0,2,0,0,0,0|2,0,0]=4 29248 B13R1.666 NNc1cccc(n1)SCCCO 62a_100011215043_100009817029 [0,2,0,0,0,0|2,0,0]=4 29249 B13R1.666 NNc1ccnc(c1)SCCCF 62a_100000089018_100011934791 [0,2,0,0,0,0|2,0,0]=4 29250 B13R1.666 NNc1ccnc(c1)SCCCF 62a_100011934791_100000089018 [0,2,0,0,0,0|2,0,0]=4 29251 B13R1.666 NNc1ccnc(c1)SCCCO 62a_100000089018_100011215043 [0,2,0,0,0,0|2,0,0]=4 29252 B13R1.666 NNc1ccnc(c1)SCCCO 62a_100011215043_100000089018 [0,2,0,0,0,0|2,0,0]=4 29253 B13R1.666 O=Cc1cccc(n1)SCCCF 62a_100000688028_100011934791 [0,2,0,0,0,0|2,0,0]=4 29254 B13R1.666 O=Cc1cccc(n1)SCCCF 62a_100011934791_100000688028 [0,2,0,0,0,0|2,0,0]=4 29255 B13R1.666 O=Cc1cccc(n1)SCCCO 62a_100000688028_100011215043 [0,2,0,0,0,0|2,0,0]=4 29256 B13R1.666 O=Cc1cccc(n1)SCCCO 62a_100011215043_100000688028 [0,2,0,0,0,0|2,0,0]=4 29257 B13R1.666 O=Cc1ccnc(c1)SCCCF 62a_100011290808_100011934791 [0,2,0,0,0,0|2,0,0]=4 29258 B13R1.666 O=Cc1ccnc(c1)SCCCF 62a_100011934791_100011290808 [0,2,0,0,0,0|2,0,0]=4 29259 B13R1.666 O=Cc1ccnc(c1)SCCCO 62a_100011215043_100011290808 [0,2,0,0,0,0|2,0,0]=4 29260 B13R1.666 O=Cc1ccnc(c1)SCCCO 62a_100011290808_100011215043 [0,2,0,0,0,0|2,0,0]=4 29261 B13R1.666 OCCCSc1cc(ccn1)CO 62a_100009814636_100011215043 [0,2,0,0,0,0|2,0,0]=4 29262 B13R1.666 OCCCSc1cc(ccn1)CO 62a_100011215043_100009814636 [0,2,0,0,0,0|2,0,0]=4 29263 B13R1.666 OCCCSc1cccc(n1)CO 62a_100000694195_100011215043 [0,2,0,0,0,0|2,0,0]=4 29264 B13R1.666 OCCCSc1cccc(n1)CO 62a_100011215043_100000694195 [0,2,0,0,0,0|2,0,0]=4 29265 B13R1.666 OCCNCc1cccc(n1)CF 207a_100000210304_100016121940 [0,2,0,0,0,0|2,0,0]=4 29266 B13R1.666 OCCNCc1cccc(n1)CF 270004a_100000210304_100016121940 [0,2,0,0,0,0|2,0,0]=4 29267 B13R1.666 OCCNCc1cccc(n1)CO 207a_100000210304_200000070131 [0,2,0,0,0,0|2,0,0]=4 29268 B13R1.666 OCCNCc1cccc(n1)CO 2230a_100016997473_100009813551 [0,2,0,0,0,0|2,0,0]=4 29269 B13R1.666 OCCNCc1cccc(n1)CO 270004a_100000210304_200000070131 [0,2,0,0,0,0|2,0,0]=4 29270 B13R1.666 OCCNCc1cccc(n1)CO 34a_100016990907_100009813551 [0,2,0,0,0,0|2,0,0]=4 29271 B13R1.666 OCCSCc1cccc(n1)CO 62a_100000211926_100009813551 [0,2,0,0,0,0|2,0,0]=4 29272 B13R1.666 OCCSCc1cccc(n1)CO 62a_100009813551_100000211926 [0,2,0,0,0,0|2,0,0]=4 29273 B13R1.666 OCc1cccc(n1)CNCCF 34a_100000724931_100009813551 [0,2,0,0,0,0|2,0,0]=4 29274 B13R1.666 OCc1cccc(n1)COCCBr 34a_100000211926_100009813551 [0,2,0,0,0,0|2,0,0]=4 29275 B13R1.666 OCc1cccc(n1)CSCCF 62a_100009813551_100011217306 [0,2,0,0,0,0|2,0,0]=4 29276 B13R1.666 OCc1cccc(n1)CSCCF 62a_100011217306_100009813551 [0,2,0,0,0,0|2,0,0]=4 29277 B13R1.666 OCc1cccc(n1)SCCCF 62a_100000694195_100011934791 [0,2,0,0,0,0|2,0,0]=4 29278 B13R1.666 OCc1cccc(n1)SCCCF 62a_100011934791_100000694195 [0,2,0,0,0,0|2,0,0]=4 29279 B13R1.666 OCc1ccnc(c1)SCCCF 62a_100009814636_100011934791 [0,2,0,0,0,0|2,0,0]=4 29280 B13R1.666 OCc1ccnc(c1)SCCCF 62a_100011934791_100009814636 [0,2,0,0,0,0|2,0,0]=4 29281 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,2,0,0,0,0|2,0,0]=4 29282 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,2,0,0,0,0|2,0,0]=4 29283 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,2,0,0,0,0|2,0,0]=4 29284 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,2,0,0,0,0|2,0,0]=4 29285 B13R1.26 C=CC(SCCC)c1ccccc1 62a_100000210303_200000085779 [0,2,0,0,0,0|2,0,0]=4 29286 B13R1.26 C=CC(SCCC)c1ccccc1 62a_200000085779_100000210303 [0,2,0,0,0,0|2,0,0]=4 29287 B13R1.26 CCC(NCCF)c1ccccn1 2230a_100015186561_100011217306 [0,2,0,0,0,0|2,0,0]=4 29288 B13R1.26 CCC(NCCF)c1ccccn1 269862a_100000724931_100000748178 [0,2,0,0,0,0|2,0,0]=4 29289 B13R1.26 CCC(NCCO)c1ccccn1 2230a_100015186561_100000211926 [0,2,0,0,0,0|2,0,0]=4 29290 B13R1.26 CCC(NCCO)c1ccccn1 269862a_100000210304_100000748178 [0,2,0,0,0,0|2,0,0]=4 29291 B13R1.26 CCC(NCOC)c1ccccn1 2230a_100015186561_100000766300 [0,2,0,0,0,0|2,0,0]=4 29292 B13R1.26 CCC(NCSC)c1ccccn1 2230a_100015186561_100011218213 [0,2,0,0,0,0|2,0,0]=4 29293 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,2,0,0,0,0|1,0,0]=3 29294 B13R1.26 CCCCC(NC)c1cccnc1 2230a_200011711859_200000210301 [0,2,0,0,0,0|2,0,0]=4 29295 B13R1.26 CCCCC(NC)c1cccnc1 269862a_106832991636_200011709925 [0,2,0,0,0,0|2,0,0]=4 29296 B13R1.26 CCCCC(NC)c1ccncc1 2230a_100015203128_200000210301 [0,2,0,0,0,0|2,0,0]=4 29297 B13R1.26 CCCCC(N[13CH3])c1cccnc1 2230a_200011711859_200025704644 [0,2,0,0,0,0|2,0,0]=4 29298 B13R1.26 CCCCC(N[13CH3])c1ccncc1 2230a_100015203128_200025704644 [0,2,0,0,0,0|2,0,0]=4 29299 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 29300 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 29301 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 29302 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 29303 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000210013_100000210211 [0,2,0,0,0,0|2,0,0]=4 29304 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000211623_100000210202 [0,2,0,0,0,0|2,0,0]=4 29305 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000210013_100000210211 [0,2,0,0,0,0|2,0,0]=4 29306 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000211623_100000204670 [0,2,0,0,0,0|2,0,0]=4 29307 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000210013_100000210210 [0,2,0,0,0,0|2,0,0]=4 29308 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000211623_100000210202 [0,2,0,0,0,0|2,0,0]=4 29309 B13R1.26 CCCCN(CC)c1cccnn1 27a_100000207695_100016991348 [0,2,0,0,0,0|2,0,0]=4 29310 B13R1.26 CCCCN(CC)c1ccncn1 27a_100000207695_100000703185 [0,2,0,0,0,0|2,0,0]=4 29311 B13R1.26 CCCCN(CC)c1cnccn1 27a_100000207695_100000211759 [0,2,0,0,0,0|2,0,0]=4 29312 B13R1.26 CCCCN(CC)c1ncccn1 27a_100000207695_100000211032 [0,2,0,0,0,0|2,0,0]=4 29313 B13R1.26 CCCCN(CF)c1ccccc1 269982a_100000211623_100015361967 [0,2,0,0,0,0|2,0,0]=4 29314 B13R1.26 CCCCN(CF)c1ccccc1 34a_100000211623_100015361967 [0,2,0,0,0,0|2,0,0]=4 29315 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,2,0,0,0,0|2,0,0]=4 29316 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,2,0,0,0,0|2,0,0]=4 29317 B13R1.26 CCCNC(CC)c1ccccn1 2230a_100015186561_100000210303 [0,2,0,0,0,0|1,0,0]=3 29318 B13R1.26 CCCNC(CC)c1ccccn1 269862a_100020643023_100000748178 [0,2,0,0,0,0|1,0,0]=3 29319 B13R1.26 CCCNC(CC)c1cnccn1 2230a_200016994365_100000210303 [0,2,0,0,0,0|2,0,0]=4 29320 B13R1.26 CCCNC(CC)c1ncccn1 269862a_100020643023_200011350823 [0,2,0,0,0,0|2,0,0]=4 29321 B13R1.26 CCCNC(CC)c1ncccn1 270004a_100020643023_200011350823 [0,2,0,0,0,0|2,0,0]=4 29322 B13R1.26 CCCNC(CO)c1ccccn1 2230a_100015196888_100000210303 [0,2,0,0,0,0|1,0,0]=3 29323 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [0,2,0,0,0,0|2,0,0]=4 29324 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|2,0,0]=4 29325 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,2,0,0,0,0|2,0,0]=4 29326 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,2,0,0,0,0|2,0,0]=4 29327 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,2,0,0,0,0|2,0,0]=4 29328 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,2,0,0,0,0|2,0,0]=4 29329 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,2,0,0,0,0|2,0,0]=4 29330 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 29331 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 29332 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,2,0,0,0,0|2,0,0]=4 29333 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,2,0,0,0,0|2,0,0]=4 29334 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,2,0,0,0,0|2,0,0]=4 29335 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,2,0,0,0,0|2,0,0]=4 29336 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,2,0,0,0,0|2,0,0]=4 29337 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,2,0,0,0,0|2,0,0]=4 29338 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|2,0,0]=4 29339 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,2,0,0,0,0|2,0,0]=4 29340 B13R1.26 COCNC(CO)c1ccccn1 2230a_100015196888_100000766300 [0,2,0,0,0,0|2,0,0]=4 29341 B13R1.26 CSCNC(CO)c1ccccn1 2230a_100015196888_100011218213 [0,2,0,0,0,0|2,0,0]=4 29342 B13R1.26 OCC(NCCF)c1ccccn1 2230a_100015196888_100011217306 [0,2,0,0,0,0|2,0,0]=4 29343 B13R1.26 OCCNC(CO)c1ccccn1 2230a_100015196888_100000211926 [0,2,0,0,0,0|2,0,0]=4 29344 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,2,0,0,0,0|2,0,0]=4 29345 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|2,0,0]=4 29346 B13R1.45 C=C(C)CNC(C)c1ccccn1 2230a_100000181244_100000748629 [0,2,0,0,0,0|1,0,1]=4 29347 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,2,0,0,0,0|1,0,1]=4 29348 B13R1.45 CC(=O)NCC(O)c1ccccn1 240690a_100000691469_100015343762 [0,2,0,0,0,0|1,0,1]=4 29349 B13R1.45 CC(=O)NCC(O)c1ccccn1 527a_100000691469_100103153847 [0,2,0,0,0,0|1,0,1]=4 29350 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,2,0,0,0,0|2,0,0]=4 29351 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [0,2,0,0,0,0|1,0,1]=4 29352 B13R1.45 CC(C)CCN(C)c1ccccc1 2230a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 29353 B13R1.45 CC(C)CCN(C)c1ccccc1 269982a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 29354 B13R1.45 CC(C)CCN(C)c1ccccc1 34a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 29355 B13R1.45 CC(C)CCN(C)c1cccnn1 27a_100000742789_100016991348 [0,2,0,0,0,0|2,0,0]=4 29356 B13R1.45 CC(C)CCN(C)c1ccncn1 27a_100000742789_100000703185 [0,2,0,0,0,0|2,0,0]=4 29357 B13R1.45 CC(C)CCN(C)c1cnccn1 27a_100000742789_100000211759 [0,2,0,0,0,0|2,0,0]=4 29358 B13R1.45 CC(C)CCN(C)c1ncccn1 27a_100000742789_100000211032 [0,2,0,0,0,0|2,0,0]=4 29359 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,2,0,0,0,0|2,0,0]=4 29360 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,2,0,0,0,0|2,0,0]=4 29361 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,2,0,0,0,0|2,0,0]=4 29362 B13R1.45 CC(C)CNC(C)c1ccccn1 2230a_100000181244_100000210760 [0,2,0,0,0,0|1,0,0]=3 29363 B13R1.45 CC(C)CNC(C)c1ccccn1 269862a_100000210953_100000210467 [0,2,0,0,0,0|1,0,0]=3 29364 B13R1.45 CC(C)CNC(C)c1ccccn1 270004a_100000181244_100000210432 [0,2,0,0,0,0|1,0,0]=3 29365 B13R1.45 CC(C)CNC(C)c1cccnn1 269862a_100000210953_100009866853 [0,2,0,0,0,0|2,0,0]=4 29366 B13R1.45 CC(C)CNC(C)c1cnccn1 2230a_100000210953_200000703233 [0,2,0,0,0,0|2,0,0]=4 29367 B13R1.45 CC(C)CNC(C)c1cnccn1 269862a_100000210953_100000751083 [0,2,0,0,0,0|2,0,0]=4 29368 B13R1.45 CC(C)CNC(C)c1ncccn1 2230a_100020641698_100000210760 [0,2,0,0,0,0|2,0,0]=4 29369 B13R1.45 CC(C)CNC(C)c1ncccn1 270004a_100000210953_100011350828 [0,2,0,0,0,0|2,0,0]=4 29370 B13R1.45 CC(C)CNC(C)c1ncccn1 270004a_100020641698_100000210432 [0,2,0,0,0,0|2,0,0]=4 29371 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,2,0,0,0,0|2,0,0]=4 29372 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,2,0,0,0,0|2,0,0]=4 29373 B13R1.45 CC(C)CN[C@H](C)c1cnccn1 2230a_100020589798_100000210760 [0,2,0,0,0,0|2,0,0]=4 29374 B13R1.45 CC(C)CN[C@H](C)c1cnccn1 270004a_100020589798_100000210432 [0,2,0,0,0,0|2,0,0]=4 29375 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,2,0,0,0,0|2,0,0]=4 29376 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,2,0,0,0,0|2,0,0]=4 29377 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,2,0,0,0,0|2,0,0]=4 29378 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,2,0,0,0,0|2,0,0]=4 29379 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,2,0,0,0,0|2,0,0]=4 29380 B13R1.45 CC(C)CSC(C)c1cnccn1 62a_100000210624_200000703233 [0,2,0,0,0,0|2,0,0]=4 29381 B13R1.45 CC(C)CSC(C)c1cnccn1 62a_200000703233_100000210760 [0,2,0,0,0,0|2,0,0]=4 29382 B13R1.45 CC(C)NCC(=O)c1ccccn1 34a_100138425928_100000027445 [0,2,0,0,0,0|1,0,1]=4 29383 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [0,2,0,0,0,0|2,0,0]=4 29384 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [0,2,0,0,0,0|2,0,0]=4 29385 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [0,2,0,0,0,0|2,0,0]=4 29386 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [0,2,0,0,0,0|2,0,0]=4 29387 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,2,0,0,0,0|2,0,0]=4 29388 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,2,0,0,0,0|2,0,0]=4 29389 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,2,0,0,0,0|2,0,0]=4 29390 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [0,2,0,0,0,0|1,0,0]=3 29391 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,2,0,0,0,0|2,0,0]=4 29392 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,2,0,0,0,0|2,0,0]=4 29393 B13R1.45 CC(C)OCC(=O)c1ccccn1 34a_100000212225_100000027445 [0,2,0,0,0,0|1,0,1]=4 29394 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,2,0,0,0,0|2,0,0]=4 29395 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,2,0,0,0,0|2,0,0]=4 29396 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,2,0,0,0,0|2,0,0]=4 29397 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,2,0,0,0,0|2,0,0]=4 29398 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 29399 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,2,0,0,0,0|2,0,0]=4 29400 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000027445_100000210206 [0,2,0,0,0,0|1,0,1]=4 29401 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000210206_100000027445 [0,2,0,0,0,0|1,0,1]=4 29402 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [0,2,0,0,0,0|2,0,0]=4 29403 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [0,2,0,0,0,0|2,0,0]=4 29404 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,2,0,0,0,0|2,0,0]=4 29405 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,2,0,0,0,0|2,0,0]=4 29406 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,2,0,0,0,0|2,0,0]=4 29407 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 29408 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [0,2,0,0,0,0|2,0,0]=4 29409 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,2,0,0,0,0|2,0,0]=4 29410 B13R1.45 CC(NCC(F)F)c1ccccn1 2230a_100000181244_100011934356 [0,2,0,0,0,0|2,0,0]=4 29411 B13R1.45 CC(NC[C@@H](C)O)c1ccccn1 2230a_100000181244_100009817552 [0,2,0,0,0,0|1,0,0]=3 29412 B13R1.45 CC(NC[C@@H](C)O)c1ncccn1 2230a_100020641698_100009817552 [0,2,0,0,0,0|2,0,0]=4 29413 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,2,0,0,0,0|1,0,1]=4 29414 B13R1.45 CC(O)CCN(C)c1ccccc1 2230a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 29415 B13R1.45 CC(O)CCN(C)c1ccccc1 269982a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 29416 B13R1.45 CC(O)CCN(C)c1ccccc1 34a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 29417 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,2,0,0,0,0|2,0,0]=4 29418 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,2,0,0,0,0|2,0,0]=4 29419 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|2,0,0]=4 29420 B13R1.45 CC(O)CNC(C)c1ccccn1 2230a_100000181244_100011218427 [0,2,0,0,0,0|1,0,0]=3 29421 B13R1.45 CC(O)CNC(C)c1ccccn1 269862a_100000210904_100000210467 [0,2,0,0,0,0|1,0,0]=3 29422 B13R1.45 CC(O)CNC(C)c1cccnn1 269862a_100000210904_100009866853 [0,2,0,0,0,0|2,0,0]=4 29423 B13R1.45 CC(O)CNC(C)c1cnccn1 2230a_100000210904_200000703233 [0,2,0,0,0,0|2,0,0]=4 29424 B13R1.45 CC(O)CNC(C)c1cnccn1 269862a_100000210904_100000751083 [0,2,0,0,0,0|2,0,0]=4 29425 B13R1.45 CC(O)CNC(C)c1ncccn1 2230a_100020641698_100011218427 [0,2,0,0,0,0|2,0,0]=4 29426 B13R1.45 CC(O)CNC(C)c1ncccn1 270004a_100000210904_100011350828 [0,2,0,0,0,0|2,0,0]=4 29427 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,2,0,0,0,0|2,0,0]=4 29428 B13R1.45 CC(O)CN[C@H](C)c1cnccn1 2230a_100020589798_100011218427 [0,2,0,0,0,0|2,0,0]=4 29429 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,2,0,0,0,0|2,0,0]=4 29430 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,2,0,0,0,0|2,0,0]=4 29431 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,2,0,0,0,0|2,0,0]=4 29432 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,2,0,0,0,0|2,0,0]=4 29433 B13R1.45 CC(O)CSC(C)c1cnccn1 62a_100011218427_200000703233 [0,2,0,0,0,0|2,0,0]=4 29434 B13R1.45 CC(O)CSC(C)c1cnccn1 62a_200000703233_100011218427 [0,2,0,0,0,0|2,0,0]=4 29435 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,2,0,0,0,0|2,0,0]=4 29436 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,2,0,0,0,0|2,0,0]=4 29437 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,2,0,0,0,0|2,0,0]=4 29438 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,2,0,0,0,0|2,0,0]=4 29439 B13R1.45 CC(SC[C@@H](C)O)c1cnccn1 62a_100009817552_200000703233 [0,2,0,0,0,0|2,0,0]=4 29440 B13R1.45 CC(SC[C@@H](C)O)c1cnccn1 62a_200000703233_100009817552 [0,2,0,0,0,0|2,0,0]=4 29441 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,2,0,0,0,0|2,0,0]=4 29442 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,2,0,0,0,0|2,0,0]=4 29443 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,2,0,0,0,0|2,0,0]=4 29444 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,2,0,0,0,0|2,0,0]=4 29445 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,2,0,0,0,0|2,0,0]=4 29446 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,2,0,0,0,0|2,0,0]=4 29447 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,2,0,0,0,0|2,0,0]=4 29448 B13R1.45 C[C@@H](O)CN[C@H](C)c1cnccn1 2230a_100020589798_100009817552 [0,2,0,0,0,0|2,0,0]=4 29449 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,2,0,0,0,0|2,0,0]=4 29450 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,2,0,0,0,0|2,0,0]=4 29451 B13R1.47 CC(C(=O)CCF)c1ccccn1 1458a_100000722050_100011217306 [0,2,0,0,0,0|1,0,1]=4 29452 B13R1.47 CC(C(=O)CCO)c1ccccn1 1458a_100000722050_100000211926 [0,2,0,0,0,0|1,0,1]=4 29453 B13R1.47 CC(c1ccccn1)N(C)CCF 2230a_100000231138_100011217306 [0,2,0,0,0,0|2,0,0]=4 29454 B13R1.47 CC(c1ccccn1)N(C)CCF 269982a_100000231138_100011217306 [0,2,0,0,0,0|2,0,0]=4 29455 B13R1.47 CC(c1ccccn1)N(C)CCO 2230a_100000231138_100000211926 [0,2,0,0,0,0|2,0,0]=4 29456 B13R1.47 CC(c1ccccn1)N(C)CCO 269982a_100000231138_100000211926 [0,2,0,0,0,0|2,0,0]=4 29457 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,2,0,0,0,0|1,0,1]=4 29458 B13R1.47 CCCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210303 [0,2,0,0,0,0|0,0,1]=3 29459 B13R1.47 CCCC(=O)C(C)c1cnccn1 1458a_100000211992_200000703233 [0,2,0,0,0,0|1,0,1]=4 29460 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,2,0,0,0,0|1,0,1]=4 29461 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,2,0,0,0,0|1,0,1]=4 29462 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,2,0,0,0,0|1,0,1]=4 29463 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,2,0,0,0,0|1,0,1]=4 29464 B13R1.47 CCCC(C)N(C)c1ccccc1 2230a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 29465 B13R1.47 CCCC(C)N(C)c1ccccc1 269982a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 29466 B13R1.47 CCCC(C)N(C)c1ccccc1 34a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 29467 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,2,0,0,0,0|2,0,0]=4 29468 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,2,0,0,0,0|2,0,0]=4 29469 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,2,0,0,0,0|2,0,0]=4 29470 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,2,0,0,0,0|2,0,0]=4 29471 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,2,0,0,0,0|2,0,0]=4 29472 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,2,0,0,0,0|2,0,0]=4 29473 B13R1.47 CCCN(C)C(C)c1ccccn1 2230a_100000231138_100000210303 [0,2,0,0,0,0|1,0,0]=3 29474 B13R1.47 CCCN(C)C(C)c1ccccn1 269982a_100000231138_100000210303 [0,2,0,0,0,0|1,0,0]=3 29475 B13R1.47 CCCN(C)C(C)c1cnccn1 2230a_100000747261_200000703233 [0,2,0,0,0,0|2,0,0]=4 29476 B13R1.47 CCCN(C)C(C)c1cnccn1 269982a_100000747261_200000703233 [0,2,0,0,0,0|2,0,0]=4 29477 B13R1.47 CCCN(C)C(C)c1ncccn1 270004a_100000747261_100011350828 [0,2,0,0,0,0|2,0,0]=4 29478 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,2,0,0,0,0|2,0,0]=4 29479 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,2,0,0,0,0|2,0,0]=4 29480 B13R1.47 CCNC(=O)C(C)c1ccccn1 11a_100015525214_100000722050 [0,2,0,0,0,0|1,0,1]=4 29481 B13R1.47 CCNC(=O)C(C)c1ccccn1 240690a_100015525214_100000722050 [0,2,0,0,0,0|1,0,1]=4 29482 B13R1.47 CCNC(=O)C(C)c1ccccn1 527a_100015525214_100000722050 [0,2,0,0,0,0|1,0,1]=4 29483 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,2,0,0,0,0|2,0,0]=4 29484 B13R1.47 COCN(C)C(C)c1ccccn1 2230a_100000231138_100000766300 [0,2,0,0,0,0|2,0,0]=4 29485 B13R1.47 COCN(C)C(C)c1ccccn1 269982a_100000231138_100000766300 [0,2,0,0,0,0|2,0,0]=4 29486 B13R1.47 CSCN(C)C(C)c1ccccn1 2230a_100000231138_100011218213 [0,2,0,0,0,0|2,0,0]=4 29487 B13R1.47 CSCN(C)C(C)c1ccccn1 269982a_100000231138_100011218213 [0,2,0,0,0,0|2,0,0]=4 29488 B13R1.122 CC(C)(NCCF)c1ccccn1 2230a_100011999416_100011217306 [0,2,0,0,0,0|2,0,0]=4 29489 B13R1.122 CC(C)(NCCO)c1ccccn1 2230a_100011999416_100000211926 [0,2,0,0,0,0|2,0,0]=4 29490 B13R1.122 CC(C)(OCCF)c1ccccn1 7a_100000041474_100011217306 [0,2,0,0,0,0|2,0,0]=4 29491 B13R1.122 CC(C)(OCCO)c1ccccn1 7a_100000041474_100000211926 [0,2,0,0,0,0|2,0,0]=4 29492 B13R1.122 CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210303 [0,2,0,0,0,0|2,0,0]=4 29493 B13R1.122 CCCNC(C)(C)c1ccccn1 2230a_100011999416_100000210303 [0,2,0,0,0,0|1,0,0]=3 29494 B13R1.122 CCCNS(=O)(=O)c1ccccn1 270084a_100020643023_100016994956 [0,2,0,0,0,0|2,0,0]=4 29495 B13R1.122 CCCNS(=O)(=O)c1ccccn1 274078a_100020643023_100016994956 [0,2,0,0,0,0|2,0,0]=4 29496 B13R1.122 CCCNS(=O)(=O)c1ccccn1 40a_100020643023_100000070048 [0,2,0,0,0,0|2,0,0]=4 29497 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,2,0,0,0,0|2,0,0]=4 29498 B13R1.122 CCCOC(C)(C)c1ccccn1 7a_100000041474_100000210303 [0,2,0,0,0,0|1,0,0]=3 29499 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000034625_100000210303 [0,2,0,0,0,0|2,0,0]=4 29500 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000210303_100000034625 [0,2,0,0,0,0|2,0,0]=4 29501 B13R1.122 CCCSC(F)(F)c1ccccc1 62a_100000210303_100000036403 [0,2,0,0,0,0|2,0,0]=4 29502 B13R1.122 CCNCC(C)(C)c1ccccc1 2230a_100011211644_100000210202 [0,2,0,0,0,0|2,0,0]=4 29503 B13R1.122 CCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210202 [0,2,0,0,0,0|2,0,0]=4 29504 B13R1.122 CCNCC(F)(F)c1ccccc1 34a_100000717977_100000210202 [0,2,0,0,0,0|2,0,0]=4 29505 B13R1.122 CCOCC(C)(C)c1ccccc1 7a_100000747608_100000210202 [0,2,0,0,0,0|2,0,0]=4 29506 B13R1.122 CCOCC(F)(F)c1ccccc1 34a_100121572206_100009875531 [0,2,0,0,0,0|2,0,0]=4 29507 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000210202_100000703224 [0,2,0,0,0,0|2,0,0]=4 29508 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000703224_100000210202 [0,2,0,0,0,0|2,0,0]=4 29509 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100000210202_100009875531 [0,2,0,0,0,0|2,0,0]=4 29510 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100009875531_100000210202 [0,2,0,0,0,0|2,0,0]=4 29511 B13R1.122 COCNC(C)(C)c1ccccn1 2230a_100011999416_100000766300 [0,2,0,0,0,0|2,0,0]=4 29512 B13R1.122 CSCNC(C)(C)c1ccccn1 2230a_100011999416_100011218213 [0,2,0,0,0,0|2,0,0]=4 29513 B13R1.674 CC(NCCF)c1ncccc1Br 2230a_100159271932_100011217306 [0,2,0,0,0,0|2,0,0]=4 29514 B13R1.674 CC(NCCF)c1ncccc1Br 269862a_100000724931_100012348690 [0,2,0,0,0,0|2,0,0]=4 29515 B13R1.674 CC(NCCF)c1ncccc1Cl 269862a_100000724931_100015267551 [0,2,0,0,0,0|2,0,0]=4 29516 B13R1.674 CC(NCCF)c1ncccc1F 269862a_100000724931_100011997767 [0,2,0,0,0,0|2,0,0]=4 29517 B13R1.674 CC(NCCF)c1ncccc1I 269862a_100000724931_200015599370 [0,2,0,0,0,0|2,0,0]=4 29518 B13R1.674 CC(NCCO)c1ncccc1Br 2230a_100159271932_100000211926 [0,2,0,0,0,0|2,0,0]=4 29519 B13R1.674 CC(NCCO)c1ncccc1Br 269862a_100000210304_100012348690 [0,2,0,0,0,0|2,0,0]=4 29520 B13R1.674 CC(NCCO)c1ncccc1Cl 269862a_100000210304_100015267551 [0,2,0,0,0,0|2,0,0]=4 29521 B13R1.674 CC(NCCO)c1ncccc1F 269862a_100000210304_100011997767 [0,2,0,0,0,0|2,0,0]=4 29522 B13R1.674 CC(NCCO)c1ncccc1I 269862a_100000210304_200015599370 [0,2,0,0,0,0|2,0,0]=4 29523 B13R1.674 CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210211 [0,2,0,0,0,0|1,0,1]=4 29524 B13R1.674 CCCCC(=O)c1ccccc1C 1458a_100000212026_100000210211 [0,2,0,0,0,0|1,0,1]=4 29525 B13R1.674 CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210211 [0,2,0,0,0,0|1,0,1]=4 29526 B13R1.674 CCCCC(=O)c1ccccc1F 1458a_100000188656_100000210211 [0,2,0,0,0,0|1,0,1]=4 29527 B13R1.674 CCCCC(=O)c1ccccc1I 1458a_100000187884_100000210211 [0,2,0,0,0,0|1,0,1]=4 29528 B13R1.674 CCCCC(=O)c1ccccc1O 1458a_100015234032_100000210211 [0,2,0,0,0,0|1,0,1]=4 29529 B13R1.674 CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210211 [0,2,0,0,0,0|1,0,1]=4 29530 B13R1.674 CCCCN(C)c1ccccc1Br 2230a_100020606079_100000210211 [0,2,0,0,0,0|2,0,0]=4 29531 B13R1.674 CCCCN(C)c1ccccc1Br 269982a_100020606079_100000210211 [0,2,0,0,0,0|2,0,0]=4 29532 B13R1.674 CCCCN(C)c1ccccc1Br 34a_100020606079_100000210210 [0,2,0,0,0,0|2,0,0]=4 29533 B13R1.674 CCCCN(C)c1ccccc1C 2230a_100000219699_100000210211 [0,2,0,0,0,0|2,0,0]=4 29534 B13R1.674 CCCCN(C)c1ccccc1C 269982a_100000219699_100000210211 [0,2,0,0,0,0|2,0,0]=4 29535 B13R1.674 CCCCN(C)c1ccccc1C 34a_100000219699_100000210210 [0,2,0,0,0,0|2,0,0]=4 29536 B13R1.674 CCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210211 [0,2,0,0,0,0|2,0,0]=4 29537 B13R1.674 CCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210211 [0,2,0,0,0,0|2,0,0]=4 29538 B13R1.674 CCCCN(C)c1ccccc1Cl 34a_100000219374_100000210210 [0,2,0,0,0,0|2,0,0]=4 29539 B13R1.674 CCCCN(C)c1ccccc1F 2230a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 29540 B13R1.674 CCCCN(C)c1ccccc1F 269982a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 29541 B13R1.674 CCCCN(C)c1ccccc1F 34a_100000220357_100000210210 [0,2,0,0,0,0|2,0,0]=4 29542 B13R1.674 CCCCN(C)c1ccccc1F 38a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 29543 B13R1.674 CCCCN(C)c1ccccc1O 269982a_100000033821_100000210211 [0,2,0,0,0,0|2,0,0]=4 29544 B13R1.674 CCCCN(C)c1ncccc1Br 27a_100000207549_100000696092 [0,2,0,0,0,0|1,0,0]=3 29545 B13R1.674 CCCCN(C)c1nccnc1C 27a_100000207549_100011999405 [0,2,0,0,0,0|2,0,0]=4 29546 B13R1.674 CCCCN(C)c1nccnc1F 27a_100000207549_200010125657 [0,2,0,0,0,0|2,0,0]=4 29547 B13R1.674 CCCCN(C)c1ncncc1C 27a_100000207549_100011998708 [0,2,0,0,0,0|2,0,0]=4 29548 B13R1.674 CCCCN(C)c1ncncc1F 27a_100000207549_100000069762 [0,2,0,0,0,0|2,0,0]=4 29549 B13R1.674 CCCCN(C)c1ncncc1N 27a_100000207549_100000709731 [0,2,0,0,0,0|2,0,0]=4 29550 B13R1.674 CCCCN(C)c1nnccc1C 27a_100000207549_100000089043 [0,2,0,0,0,0|2,0,0]=4 29551 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,2,0,0,0,0|2,0,0]=4 29552 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,2,0,0,0,0|2,0,0]=4 29553 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,2,0,0,0,0|2,0,0]=4 29554 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,2,0,0,0,0|2,0,0]=4 29555 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,2,0,0,0,0|2,0,0]=4 29556 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,2,0,0,0,0|2,0,0]=4 29557 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,2,0,0,0,0|2,0,0]=4 29558 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,2,0,0,0,0|2,0,0]=4 29559 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,2,0,0,0,0|2,0,0]=4 29560 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,2,0,0,0,0|2,0,0]=4 29561 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,2,0,0,0,0|2,0,0]=4 29562 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,2,0,0,0,0|2,0,0]=4 29563 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,2,0,0,0,0|2,0,0]=4 29564 B13R1.674 CCCNC(C)c1ncccc1Br 2230a_100159271932_100000210303 [0,2,0,0,0,0|1,0,0]=3 29565 B13R1.674 CCCNC(C)c1ncccc1Br 269862a_100020643023_100012348690 [0,2,0,0,0,0|1,0,0]=3 29566 B13R1.674 CCCNC(C)c1ncccc1C 2230a_100011536111_100000210303 [0,2,0,0,0,0|1,0,0]=3 29567 B13R1.674 CCCNC(C)c1ncccc1C 269862a_100020643023_100011536074 [0,2,0,0,0,0|1,0,0]=3 29568 B13R1.674 CCCNC(C)c1ncccc1Cl 269862a_100020643023_100015267551 [0,2,0,0,0,0|1,0,0]=3 29569 B13R1.674 CCCNC(C)c1ncccc1F 269862a_100020643023_100011997767 [0,2,0,0,0,0|1,0,0]=3 29570 B13R1.674 CCCNC(C)c1ncccc1I 269862a_100020643023_200015599370 [0,2,0,0,0,0|1,0,0]=3 29571 B13R1.674 CCCNC(C)c1nccnc1C 269862a_100020643023_100000702048 [0,2,0,0,0,0|2,0,0]=4 29572 B13R1.674 CCCNC(C)c1nccnc1Cl 269862a_100020643023_100000099859 [0,2,0,0,0,0|2,0,0]=4 29573 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,2,0,0,0,0|2,0,0]=4 29574 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,2,0,0,0,0|2,0,0]=4 29575 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,2,0,0,0,0|2,0,0]=4 29576 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,2,0,0,0,0|2,0,0]=4 29577 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,2,0,0,0,0|2,0,0]=4 29578 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,2,0,0,0,0|2,0,0]=4 29579 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,2,0,0,0,0|2,0,0]=4 29580 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,2,0,0,0,0|2,0,0]=4 29581 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,2,0,0,0,0|2,0,0]=4 29582 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,2,0,0,0,0|2,0,0]=4 29583 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,2,0,0,0,0|2,0,0]=4 29584 B13R1.674 CCCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210303 [0,2,0,0,0,0|1,0,0]=3 29585 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000181259_100000210303 [0,2,0,0,0,0|2,0,0]=4 29586 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000210303_100000181259 [0,2,0,0,0,0|2,0,0]=4 29587 B13R1.674 CCCSC(C)c1ccccc1F 62a_100000210303_200000741388 [0,2,0,0,0,0|2,0,0]=4 29588 B13R1.674 CCCSC(C)c1ccccc1F 62a_200000741388_100000210303 [0,2,0,0,0,0|2,0,0]=4 29589 B13R1.674 CCNCC(O)c1ccccc1Br 2230a_100011236429_100000210202 [0,2,0,0,0,0|2,0,0]=4 29590 B13R1.674 CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210202 [0,2,0,0,0,0|2,0,0]=4 29591 B13R1.674 CCNCC(O)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|2,0,0]=4 29592 B13R1.674 CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 29593 B13R1.674 CCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210202 [0,2,0,0,0,0|2,0,0]=4 29594 B13R1.674 CCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210202 [0,2,0,0,0,0|2,0,0]=4 29595 B13R1.674 CN(CCCO)c1ncccc1Br 27a_100000213112_100000696092 [0,2,0,0,0,0|2,0,0]=4 29596 B13R1.674 COCCC(N)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 29597 B13R1.674 COCCC(N)c1ccccc1F 34a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 29598 B13R1.674 COCCN(C)c1ncccc1Br 27a_100000743101_100000696092 [0,2,0,0,0,0|2,0,0]=4 29599 B13R1.674 COCNC(C)c1ncccc1Br 2230a_100159271932_100000766300 [0,2,0,0,0,0|2,0,0]=4 29600 B13R1.674 COCNC(C)c1ncccc1C 2230a_100011536111_100000766300 [0,2,0,0,0,0|2,0,0]=4 29601 B13R1.674 CSCCN(C)c1ncccc1Br 27a_100000686725_100000696092 [0,2,0,0,0,0|2,0,0]=4 29602 B13R1.674 CSCNC(C)c1ncccc1Br 2230a_100159271932_100011218213 [0,2,0,0,0,0|2,0,0]=4 29603 B13R1.674 CSCNC(C)c1ncccc1C 2230a_100011536111_100011218213 [0,2,0,0,0,0|2,0,0]=4 29604 B13R1.674 C[C@H](OCCF)c1ncccc1Br 7a_100013325542_100011217306 [0,2,0,0,0,0|2,0,0]=4 29605 B13R1.674 C[C@H](OCCO)c1ncccc1Br 7a_100013325542_100000211926 [0,2,0,0,0,0|2,0,0]=4 29606 B13R1.674 Cc1cccnc1C(C)NCCF 2230a_100011536111_100011217306 [0,2,0,0,0,0|2,0,0]=4 29607 B13R1.674 Cc1cccnc1C(C)NCCF 269862a_100000724931_100011536074 [0,2,0,0,0,0|2,0,0]=4 29608 B13R1.674 Cc1cccnc1C(C)NCCO 2230a_100011536111_100000211926 [0,2,0,0,0,0|2,0,0]=4 29609 B13R1.674 Cc1cccnc1C(C)NCCO 269862a_100000210304_100011536074 [0,2,0,0,0,0|2,0,0]=4 29610 B13R1.674 [13CH3]OCCC(N)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 29611 B13R1.674 [13CH3]OCCC(N)c1ccccc1F 34a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 29612 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,2,0,0,0,0|2,0,0]=4 29613 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,2,0,0,0,0|2,0,0]=4 29614 B13R1.79 CCCC(CC)Nc1cccnn1 27a_100000747048_100016991348 [0,2,0,0,0,0|2,0,0]=4 29615 B13R1.79 CCCC(CC)Nc1ccncn1 27a_100000747048_100000703185 [0,2,0,0,0,0|2,0,0]=4 29616 B13R1.79 CCCC(CC)Nc1cnccn1 27a_100000747048_100000211759 [0,2,0,0,0,0|2,0,0]=4 29617 B13R1.79 CCCC(CC)Nc1ncccn1 27a_100000747048_100000211032 [0,2,0,0,0,0|2,0,0]=4 29618 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,2,0,0,0,0|2,0,0]=4 29619 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,2,0,0,0,0|2,0,0]=4 29620 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,2,0,0,0,0|2,0,0]=4 29621 B13R1.79 CCCC(CC)Sc1ccccn1 62a_100011216584_100011219200 [0,2,0,0,0,0|1,0,0]=3 29622 B13R1.79 CCCC(CC)Sc1ccccn1 62a_100011219200_100011216584 [0,2,0,0,0,0|1,0,0]=3 29623 B13R1.79 CCCC(CC)Sc1cccnn1 62a_100011219200_100016991348 [0,2,0,0,0,0|2,0,0]=4 29624 B13R1.79 CCCC(CC)Sc1cccnn1 62a_100016991348_100011219200 [0,2,0,0,0,0|2,0,0]=4 29625 B13R1.79 CCCC(CC)Sc1ccncn1 62a_100000703185_100011219200 [0,2,0,0,0,0|2,0,0]=4 29626 B13R1.79 CCCC(CC)Sc1ccncn1 62a_100011219200_100000703185 [0,2,0,0,0,0|2,0,0]=4 29627 B13R1.79 CCCC(CC)Sc1cnccn1 62a_100000211759_100011219200 [0,2,0,0,0,0|2,0,0]=4 29628 B13R1.79 CCCC(CC)Sc1cnccn1 62a_100011219200_100000211759 [0,2,0,0,0,0|2,0,0]=4 29629 B13R1.79 CCCC(CC)Sc1ncccn1 62a_100000211032_100011219200 [0,2,0,0,0,0|2,0,0]=4 29630 B13R1.79 CCCC(CC)Sc1ncccn1 62a_100011219200_100000211032 [0,2,0,0,0,0|2,0,0]=4 29631 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000184400_100000210202 [0,2,0,0,0,0|2,0,0]=4 29632 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000186914_100000210303 [0,2,0,0,0,0|2,0,0]=4 29633 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000226822_100015291786 [0,2,0,0,0,0|2,0,0]=4 29634 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000184400_100000204670 [0,2,0,0,0,0|2,0,0]=4 29635 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000186914_100000210303 [0,2,0,0,0,0|2,0,0]=4 29636 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000226822_100000211182 [0,2,0,0,0,0|2,0,0]=4 29637 B13R1.79 CCCN(CC)Cc1ccccc1 270004a_100000226822_100015611070 [0,2,0,0,0,0|2,0,0]=4 29638 B13R1.79 CCCN(CC)Cc1ccccn1 2230a_100000201164_100000210303 [0,2,0,0,0,0|1,0,0]=3 29639 B13R1.79 CCCN(CC)Cc1ccccn1 2230a_100000226822_100000721315 [0,2,0,0,0,0|1,0,0]=3 29640 B13R1.79 CCCN(CC)Cc1ccccn1 2230a_100160999930_100000210202 [0,2,0,0,0,0|1,0,0]=3 29641 B13R1.79 CCCN(CC)Cc1ccccn1 269982a_100000201164_100000210303 [0,2,0,0,0,0|1,0,0]=3 29642 B13R1.79 CCCN(CC)Cc1ccccn1 269982a_100000226822_100000721315 [0,2,0,0,0,0|1,0,0]=3 29643 B13R1.79 CCCN(CC)Cc1ccccn1 269982a_100160999930_100000204670 [0,2,0,0,0,0|1,0,0]=3 29644 B13R1.79 CCCN(CC)Cc1ccccn1 270004a_100000226822_100000209966 [0,2,0,0,0,0|1,0,0]=3 29645 B13R1.79 CCCN(CC)Cc1cccnn1 2230a_100000226822_100016990269 [0,2,0,0,0,0|2,0,0]=4 29646 B13R1.79 CCCN(CC)Cc1cnccn1 2230a_100000226822_100016995436 [0,2,0,0,0,0|2,0,0]=4 29647 B13R1.79 CCCN(CC)Cc1cnccn1 269982a_100000226822_100016995436 [0,2,0,0,0,0|2,0,0]=4 29648 B13R1.79 CCCN(CC)Cc1cnccn1 270004a_100000226822_100000749867 [0,2,0,0,0,0|2,0,0]=4 29649 B13R1.79 CCCN(CC)Cc1ncccn1 2230a_100000226822_100000703007 [0,2,0,0,0,0|2,0,0]=4 29650 B13R1.79 CCCN(CC)Cc1ncccn1 269982a_100000226822_100000703007 [0,2,0,0,0,0|2,0,0]=4 29651 B13R1.79 CCCN(CC)Cc1ncccn1 270004a_100000226822_100011532527 [0,2,0,0,0,0|2,0,0]=4 29652 B13R1.79 CCCN(CF)Cc1ccccc1 269982a_100000184400_100015361967 [0,2,0,0,0,0|2,0,0]=4 29653 B13R1.79 CCCN(CF)Cc1ccccn1 269982a_100160999930_100015361967 [0,2,0,0,0,0|1,0,0]=3 29654 B13R1.79 CCC[C@@H](CO)Nc1cccnn1 27a_100000732646_100016991348 [0,2,0,0,0,0|2,0,0]=4 29655 B13R1.79 CCC[C@@H](CO)Nc1ccncn1 27a_100000732646_100000703185 [0,2,0,0,0,0|2,0,0]=4 29656 B13R1.79 CCC[C@@H](CO)Nc1cnccn1 27a_100000732646_100000211759 [0,2,0,0,0,0|2,0,0]=4 29657 B13R1.79 CCC[C@@H](CO)Nc1ncccn1 27a_100000732646_100000211032 [0,2,0,0,0,0|2,0,0]=4 29658 B13R1.79 CCN(CCF)Cc1ccccn1 2230a_100000201164_100011217306 [0,2,0,0,0,0|2,0,0]=4 29659 B13R1.79 CCN(CCF)Cc1ccccn1 269982a_100000201164_100011217306 [0,2,0,0,0,0|2,0,0]=4 29660 B13R1.79 CCN(CCO)Cc1ccccn1 2230a_100000201164_100000211926 [0,2,0,0,0,0|2,0,0]=4 29661 B13R1.79 CCN(CCO)Cc1ccccn1 2230a_100000210973_100000721315 [0,2,0,0,0,0|2,0,0]=4 29662 B13R1.79 CCN(CCO)Cc1ccccn1 269982a_100000201164_100000211926 [0,2,0,0,0,0|2,0,0]=4 29663 B13R1.79 CCN(CCO)Cc1ccccn1 269982a_100000210973_100000721315 [0,2,0,0,0,0|2,0,0]=4 29664 B13R1.79 CCN(CCO)Cc1ccccn1 270004a_100000210973_100000209966 [0,2,0,0,0,0|2,0,0]=4 29665 B13R1.79 CCN(COC)Cc1ccccn1 2230a_100000201164_100000766300 [0,2,0,0,0,0|2,0,0]=4 29666 B13R1.79 CCN(COC)Cc1ccccn1 269982a_100000201164_100000766300 [0,2,0,0,0,0|2,0,0]=4 29667 B13R1.79 CCN(CSC)Cc1ccccn1 2230a_100000201164_100011218213 [0,2,0,0,0,0|2,0,0]=4 29668 B13R1.79 CCN(CSC)Cc1ccccn1 269982a_100000201164_100011218213 [0,2,0,0,0,0|2,0,0]=4 29669 B13R1.79 CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210202 [0,2,0,0,0,0|2,0,0]=4 29670 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,2,0,0,0,0|2,0,0]=4 29671 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,2,0,0,0,0|2,0,0]=4 29672 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,2,0,0,0,0|2,0,0]=4 29673 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,2,0,0,0,0|2,0,0]=4 29674 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,2,0,0,0,0|2,0,0]=4 29675 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000183401_100000210202 [0,2,0,0,0,0|2,0,0]=4 29676 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000210202_100000183401 [0,2,0,0,0,0|2,0,0]=4 29677 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,2,0,0,0,0|2,0,0]=4 29678 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|2,0,0]=4 29679 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,2,0,0,0,0|2,0,0]=4 29680 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,2,0,0,0,0|2,0,0]=4 29681 B13R1.79 COCC(C#N)Cc1ccccc1 34a_100000684917_200000210301 [0,2,0,0,0,0|2,0,0]=4 29682 B13R1.79 COCC(C#N)Cc1ccccc1 7a_100000684917_200000210301 [0,2,0,0,0,0|2,0,0]=4 29683 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|2,0,0]=4 29684 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,2,0,0,0,0|2,0,0]=4 29685 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|2,0,0]=4 29686 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 34a_100000684917_200025704644 [0,2,0,0,0,0|2,0,0]=4 29687 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 7a_100000684917_200025704644 [0,2,0,0,0,0|2,0,0]=4 29688 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|2,0,0]=4 29689 B13R1.348 C=C(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000748629 [0,2,0,0,0,0|0,0,2]=4 29690 B13R1.348 C=C(C)CN(C)Cc1ccccn1 2230a_100000207498_100000748629 [0,2,0,0,0,0|1,0,1]=4 29691 B13R1.348 C=C(C)CN(C)Cc1ccccn1 2230a_100000225649_100000721315 [0,2,0,0,0,0|1,0,1]=4 29692 B13R1.348 C=C(C)CN(C)Cc1ccccn1 269982a_100000207498_100000748629 [0,2,0,0,0,0|1,0,1]=4 29693 B13R1.348 C=C(C)CN(C)Cc1ccccn1 269982a_100000225649_100000721315 [0,2,0,0,0,0|1,0,1]=4 29694 B13R1.348 C=C(C)CN(C)Cc1ccccn1 270004a_100000225649_100000209966 [0,2,0,0,0,0|1,0,1]=4 29695 B13R1.348 CC(=O)CN(C)Cc1ccccn1 1458a_100015184508_200000210301 [0,2,0,0,0,0|1,0,1]=4 29696 B13R1.348 CC(=O)NC(C)Cc1ccccn1 11a_100000238496_100015343762 [0,2,0,0,0,0|1,0,1]=4 29697 B13R1.348 CC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100015343762 [0,2,0,0,0,0|1,0,1]=4 29698 B13R1.348 CC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100015343762 [0,2,0,0,0,0|1,0,1]=4 29699 B13R1.348 CC(=O)NC(C)Cc1ccccn1 527a_100000238496_100103153847 [0,2,0,0,0,0|1,0,1]=4 29700 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,2,0,0,0,0|1,0,1]=4 29701 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000210554_100000721315 [0,2,0,0,0,0|0,0,1]=3 29702 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000210624 [0,2,0,0,0,0|0,0,1]=3 29703 B13R1.348 CC(C)CC(=O)Cc1cccnn1 1458a_100000210554_100016990269 [0,2,0,0,0,0|1,0,1]=4 29704 B13R1.348 CC(C)CC(=O)Cc1cnccn1 1458a_100000210554_100016995436 [0,2,0,0,0,0|1,0,1]=4 29705 B13R1.348 CC(C)CC(=O)Cc1ncccn1 1458a_100000210554_100000703007 [0,2,0,0,0,0|1,0,1]=4 29706 B13R1.348 CC(C)CC(C)Nc1ccccc1 34a_100000106764_100000731052 [0,2,0,0,0,0|2,0,0]=4 29707 B13R1.348 CC(C)CC(C)Nc1cccnn1 27a_100000692259_100016991348 [0,2,0,0,0,0|2,0,0]=4 29708 B13R1.348 CC(C)CC(C)Nc1ccncn1 27a_100000692259_100000703185 [0,2,0,0,0,0|2,0,0]=4 29709 B13R1.348 CC(C)CC(C)Nc1cnccn1 27a_100000692259_100000211759 [0,2,0,0,0,0|2,0,0]=4 29710 B13R1.348 CC(C)CC(C)Nc1ncccn1 27a_100000692259_100000211032 [0,2,0,0,0,0|2,0,0]=4 29711 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,2,0,0,0,0|2,0,0]=4 29712 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,2,0,0,0,0|2,0,0]=4 29713 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000719477_100000731052 [0,2,0,0,0,0|2,0,0]=4 29714 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000731052_100000041952 [0,2,0,0,0,0|2,0,0]=4 29715 B13R1.348 CC(C)CC(C)Sc1ccccn1 62a_100000731052_100011216584 [0,2,0,0,0,0|1,0,0]=3 29716 B13R1.348 CC(C)CC(C)Sc1ccccn1 62a_100011216584_100000731052 [0,2,0,0,0,0|1,0,0]=3 29717 B13R1.348 CC(C)CC(C)Sc1cccnn1 62a_100000731052_100016991348 [0,2,0,0,0,0|2,0,0]=4 29718 B13R1.348 CC(C)CC(C)Sc1cccnn1 62a_100016991348_100000731052 [0,2,0,0,0,0|2,0,0]=4 29719 B13R1.348 CC(C)CC(C)Sc1ccncn1 62a_100000703185_100000731052 [0,2,0,0,0,0|2,0,0]=4 29720 B13R1.348 CC(C)CC(C)Sc1ccncn1 62a_100000731052_100000703185 [0,2,0,0,0,0|2,0,0]=4 29721 B13R1.348 CC(C)CC(C)Sc1cnccn1 62a_100000211759_100000731052 [0,2,0,0,0,0|2,0,0]=4 29722 B13R1.348 CC(C)CC(C)Sc1cnccn1 62a_100000731052_100000211759 [0,2,0,0,0,0|2,0,0]=4 29723 B13R1.348 CC(C)CC(C)Sc1ncccn1 62a_100000211032_100000731052 [0,2,0,0,0,0|2,0,0]=4 29724 B13R1.348 CC(C)CC(C)Sc1ncccn1 62a_100000731052_100000211032 [0,2,0,0,0,0|2,0,0]=4 29725 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000210760 [0,2,0,0,0,0|2,0,0]=4 29726 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 29727 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000747067_100015291786 [0,2,0,0,0,0|2,0,0]=4 29728 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000210624 [0,2,0,0,0,0|2,0,0]=4 29729 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 29730 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000747067_100000211182 [0,2,0,0,0,0|2,0,0]=4 29731 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000210432 [0,2,0,0,0,0|2,0,0]=4 29732 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000747067_100015611070 [0,2,0,0,0,0|2,0,0]=4 29733 B13R1.348 CC(C)CN(C)Cc1ccccc1 34a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 29734 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000200742_200000210301 [0,2,0,0,0,0|1,0,0]=3 29735 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000207498_100000210760 [0,2,0,0,0,0|1,0,0]=3 29736 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000747067_100000721315 [0,2,0,0,0,0|1,0,0]=3 29737 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000200742_200000210301 [0,2,0,0,0,0|1,0,0]=3 29738 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000207498_100000210624 [0,2,0,0,0,0|1,0,0]=3 29739 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000747067_100000721315 [0,2,0,0,0,0|1,0,0]=3 29740 B13R1.348 CC(C)CN(C)Cc1ccccn1 270004a_100000207498_100000210432 [0,2,0,0,0,0|1,0,0]=3 29741 B13R1.348 CC(C)CN(C)Cc1ccccn1 270004a_100000747067_100000209966 [0,2,0,0,0,0|1,0,0]=3 29742 B13R1.348 CC(C)CN(C)Cc1cccnn1 2230a_100000747067_100016990269 [0,2,0,0,0,0|2,0,0]=4 29743 B13R1.348 CC(C)CN(C)Cc1cnccn1 2230a_100000747067_100016995436 [0,2,0,0,0,0|2,0,0]=4 29744 B13R1.348 CC(C)CN(C)Cc1cnccn1 2230a_100011269079_100000210760 [0,2,0,0,0,0|2,0,0]=4 29745 B13R1.348 CC(C)CN(C)Cc1cnccn1 269982a_100000747067_100016995436 [0,2,0,0,0,0|2,0,0]=4 29746 B13R1.348 CC(C)CN(C)Cc1cnccn1 269982a_100011269079_100000210624 [0,2,0,0,0,0|2,0,0]=4 29747 B13R1.348 CC(C)CN(C)Cc1cnccn1 270004a_100000747067_100000749867 [0,2,0,0,0,0|2,0,0]=4 29748 B13R1.348 CC(C)CN(C)Cc1cnccn1 270004a_100011269079_100000210432 [0,2,0,0,0,0|2,0,0]=4 29749 B13R1.348 CC(C)CN(C)Cc1ncccn1 2230a_100000747067_100000703007 [0,2,0,0,0,0|2,0,0]=4 29750 B13R1.348 CC(C)CN(C)Cc1ncccn1 2230a_100025716638_100000210760 [0,2,0,0,0,0|2,0,0]=4 29751 B13R1.348 CC(C)CN(C)Cc1ncccn1 269982a_100000747067_100000703007 [0,2,0,0,0,0|2,0,0]=4 29752 B13R1.348 CC(C)CN(C)Cc1ncccn1 269982a_100025716638_100000210624 [0,2,0,0,0,0|2,0,0]=4 29753 B13R1.348 CC(C)CN(C)Cc1ncccn1 270004a_100000747067_100011532527 [0,2,0,0,0,0|2,0,0]=4 29754 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 2230a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 29755 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 269982a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 29756 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 34a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 29757 B13R1.348 CC(C)CN([13CH3])Cc1ccccn1 2230a_100000200742_200025704644 [0,2,0,0,0,0|1,0,0]=3 29758 B13R1.348 CC(C)CN([13CH3])Cc1ccccn1 269982a_100000200742_200025704644 [0,2,0,0,0,0|1,0,0]=3 29759 B13R1.348 CC(C)NC(=O)Cc1ccccn1 11a_100138425928_100000233486 [0,2,0,0,0,0|1,0,1]=4 29760 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,2,0,0,0,0|2,0,0]=4 29761 B13R1.348 CC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000210206 [0,2,0,0,0,0|1,0,0]=3 29762 B13R1.348 CC(C)NC(C)Cc1cnccn1 2230a_100011277835_100000210206 [0,2,0,0,0,0|2,0,0]=4 29763 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,2,0,0,0,0|2,0,0]=4 29764 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,2,0,0,0,0|2,0,0]=4 29765 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,2,0,0,0,0|2,0,0]=4 29766 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,2,0,0,0,0|2,0,0]=4 29767 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,2,0,0,0,0|2,0,0]=4 29768 B13R1.348 CC(CN(C)C)Sc1ccccn1 62a_100011216584_100020606517 [0,2,0,0,0,0|2,0,0]=4 29769 B13R1.348 CC(CN(C)C)Sc1ccccn1 62a_100020606517_100011216584 [0,2,0,0,0,0|2,0,0]=4 29770 B13R1.348 CC(O)CC(=O)Cc1ccccn1 1458a_100000233486_100011218427 [0,2,0,0,0,0|0,0,1]=3 29771 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,2,0,0,0,0|2,0,0]=4 29772 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,2,0,0,0,0|2,0,0]=4 29773 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,2,0,0,0,0|2,0,0]=4 29774 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,2,0,0,0,0|2,0,0]=4 29775 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,2,0,0,0,0|2,0,0]=4 29776 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,2,0,0,0,0|2,0,0]=4 29777 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,2,0,0,0,0|2,0,0]=4 29778 B13R1.348 CC(O)CN(C)Cc1ccccn1 2230a_100000207498_100011218427 [0,2,0,0,0,0|1,0,0]=3 29779 B13R1.348 CC(O)CN(C)Cc1ccccn1 2230a_100000227577_100000721315 [0,2,0,0,0,0|1,0,0]=3 29780 B13R1.348 CC(O)CN(C)Cc1ccccn1 269982a_100000207498_100011218427 [0,2,0,0,0,0|1,0,0]=3 29781 B13R1.348 CC(O)CN(C)Cc1ccccn1 269982a_100000227577_100000721315 [0,2,0,0,0,0|1,0,0]=3 29782 B13R1.348 CC(O)CN(C)Cc1ccccn1 270004a_100000227577_100000209966 [0,2,0,0,0,0|1,0,0]=3 29783 B13R1.348 CC(O)CN(C)Cc1cccnn1 2230a_100000227577_100016990269 [0,2,0,0,0,0|2,0,0]=4 29784 B13R1.348 CC(O)CN(C)Cc1cnccn1 2230a_100000227577_100016995436 [0,2,0,0,0,0|2,0,0]=4 29785 B13R1.348 CC(O)CN(C)Cc1cnccn1 2230a_100011269079_100011218427 [0,2,0,0,0,0|2,0,0]=4 29786 B13R1.348 CC(O)CN(C)Cc1cnccn1 269982a_100000227577_100016995436 [0,2,0,0,0,0|2,0,0]=4 29787 B13R1.348 CC(O)CN(C)Cc1cnccn1 269982a_100011269079_100011218427 [0,2,0,0,0,0|2,0,0]=4 29788 B13R1.348 CC(O)CN(C)Cc1cnccn1 270004a_100000227577_100000749867 [0,2,0,0,0,0|2,0,0]=4 29789 B13R1.348 CC(O)CN(C)Cc1ncccn1 2230a_100000227577_100000703007 [0,2,0,0,0,0|2,0,0]=4 29790 B13R1.348 CC(O)CN(C)Cc1ncccn1 2230a_100025716638_100011218427 [0,2,0,0,0,0|2,0,0]=4 29791 B13R1.348 CC(O)CN(C)Cc1ncccn1 269982a_100000227577_100000703007 [0,2,0,0,0,0|2,0,0]=4 29792 B13R1.348 CC(O)CN(C)Cc1ncccn1 269982a_100025716638_100011218427 [0,2,0,0,0,0|2,0,0]=4 29793 B13R1.348 CC(O)CN(C)Cc1ncccn1 270004a_100000227577_100011532527 [0,2,0,0,0,0|2,0,0]=4 29794 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,2,0,0,0,0|2,0,0]=4 29795 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,2,0,0,0,0|2,0,0]=4 29796 B13R1.348 CN(C)CC(=O)Cc1ccccn1 1458a_100000750896_100000721315 [0,2,0,0,0,0|1,0,1]=4 29797 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,2,0,0,0,0|2,0,0]=4 29798 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,2,0,0,0,0|2,0,0]=4 29799 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccn1 1458a_100015184508_200025704644 [0,2,0,0,0,0|1,0,1]=4 29800 B13R1.348 CN(Cc1ccccn1)CC(F)F 2230a_100000207498_100011934356 [0,2,0,0,0,0|2,0,0]=4 29801 B13R1.348 CN(Cc1ccccn1)CC(F)F 269982a_100000207498_100011934356 [0,2,0,0,0,0|2,0,0]=4 29802 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,2,0,0,0,0|1,0,1]=4 29803 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccn1 1458a_100011933948_100000721315 [0,2,0,0,0,0|0,0,1]=3 29804 B13R1.348 C[C@@H](O)CC(=O)Cc1cccnn1 1458a_100011933948_100016990269 [0,2,0,0,0,0|1,0,1]=4 29805 B13R1.348 C[C@@H](O)CC(=O)Cc1cnccn1 1458a_100011933948_100016995436 [0,2,0,0,0,0|1,0,1]=4 29806 B13R1.348 C[C@@H](O)CC(=O)Cc1ncccn1 1458a_100011933948_100000703007 [0,2,0,0,0,0|1,0,1]=4 29807 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,2,0,0,0,0|2,0,0]=4 29808 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,2,0,0,0,0|2,0,0]=4 29809 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 2230a_100000207498_100009817552 [0,2,0,0,0,0|1,0,0]=3 29810 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 269982a_100000207498_100009817552 [0,2,0,0,0,0|1,0,0]=3 29811 B13R1.348 C[C@@H](O)CN(C)Cc1cnccn1 2230a_100011269079_100009817552 [0,2,0,0,0,0|2,0,0]=4 29812 B13R1.348 C[C@@H](O)CN(C)Cc1cnccn1 269982a_100011269079_100009817552 [0,2,0,0,0,0|2,0,0]=4 29813 B13R1.348 C[C@@H](O)CN(C)Cc1ncccn1 2230a_100025716638_100009817552 [0,2,0,0,0,0|2,0,0]=4 29814 B13R1.348 C[C@@H](O)CN(C)Cc1ncccn1 269982a_100025716638_100009817552 [0,2,0,0,0,0|2,0,0]=4 29815 B13R1.348 C[S+](C)CC(=O)Cc1ccccn1 1458a_200159257847_100000721315 [0,2,0,0,0,0|1,0,1]=4 29816 B13R1.348 O=C(Cc1ccccn1)CC(F)F 1458a_100000233486_100011934356 [0,2,0,0,0,0|1,0,1]=4 29817 B13R1.470 CC(CCO)Oc1ncccc1Cl 34a_100011290957_100009893172 [0,2,0,0,0,0|2,0,0]=4 29818 B13R1.470 CC(CCO)Oc1ncccc1F 34a_100011219419_100009893172 [0,2,0,0,0,0|2,0,0]=4 29819 B13R1.470 CC(CCO)Oc1ncccc1N 34a_100000746358_100009893172 [0,2,0,0,0,0|2,0,0]=4 29820 B13R1.470 CC(CCO)Sc1ncccc1Br 62a_100000696092_100009893172 [0,2,0,0,0,0|2,0,0]=4 29821 B13R1.470 CC(CCO)Sc1ncccc1Br 62a_100009893172_100000696092 [0,2,0,0,0,0|2,0,0]=4 29822 B13R1.470 CC(CCO)Sc1ncccc1Cl 62a_100009893172_100011356963 [0,2,0,0,0,0|2,0,0]=4 29823 B13R1.470 CC(CCO)Sc1ncccc1Cl 62a_100011356963_100009893172 [0,2,0,0,0,0|2,0,0]=4 29824 B13R1.470 CC(CCO)Sc1ncccc1F 62a_100000685392_100009893172 [0,2,0,0,0,0|2,0,0]=4 29825 B13R1.470 CC(CCO)Sc1ncccc1F 62a_100009893172_100000685392 [0,2,0,0,0,0|2,0,0]=4 29826 B13R1.470 CC(CCO)Sc1ncccc1N 62a_100000688686_100009893172 [0,2,0,0,0,0|2,0,0]=4 29827 B13R1.470 CC(CCO)Sc1ncccc1N 62a_100009893172_100000688686 [0,2,0,0,0,0|2,0,0]=4 29828 B13R1.470 CC(CCO)Sc1ncccc1O 62a_100000034122_100009893172 [0,2,0,0,0,0|2,0,0]=4 29829 B13R1.470 CC(CCO)Sc1ncccc1O 62a_100009893172_100000034122 [0,2,0,0,0,0|2,0,0]=4 29830 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000211992_100000184730 [0,2,0,0,0,0|1,0,1]=4 29831 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210303 [0,2,0,0,0,0|1,0,1]=4 29832 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000211992_100000211839 [0,2,0,0,0,0|1,0,1]=4 29833 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210303 [0,2,0,0,0,0|1,0,1]=4 29834 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210303 [0,2,0,0,0,0|1,0,1]=4 29835 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000211992_100000187162 [0,2,0,0,0,0|1,0,1]=4 29836 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000211992_100000187165 [0,2,0,0,0,0|1,0,1]=4 29837 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210303 [0,2,0,0,0,0|1,0,1]=4 29838 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210303 [0,2,0,0,0,0|1,0,1]=4 29839 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000211992_100011216222 [0,2,0,0,0,0|1,0,1]=4 29840 B13R1.470 CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210303 [0,2,0,0,0,0|1,0,1]=4 29841 B13R1.470 CCCC(=O)Cc1ncccc1Br 1458a_100000211992_100025702911 [0,2,0,0,0,0|0,0,1]=3 29842 B13R1.470 CCCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210303 [0,2,0,0,0,0|0,0,1]=3 29843 B13R1.470 CCCC(=O)Cc1ncccc1C 1458a_100000211992_100000696600 [0,2,0,0,0,0|0,0,1]=3 29844 B13R1.470 CCCC(=O)Cc1ncccc1C 1458a_200000722269_100000210303 [0,2,0,0,0,0|0,0,1]=3 29845 B13R1.470 CCCC(=O)Cc1ncccc1Cl 1458a_100000211992_100000099807 [0,2,0,0,0,0|0,0,1]=3 29846 B13R1.470 CCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210303 [0,2,0,0,0,0|0,0,1]=3 29847 B13R1.470 CCCC(=O)Cc1ncccc1F 1458a_100000211992_100000104219 [0,2,0,0,0,0|0,0,1]=3 29848 B13R1.470 CCCC(=O)Cc1ncccc1O 1458a_100000211992_200020655725 [0,2,0,0,0,0|0,0,1]=3 29849 B13R1.470 CCCC(=O)Cn1ncccc1=O 1458a_100000238584_100000210303 [0,2,0,0,0,0|1,0,1]=4 29850 B13R1.470 CCCC(C)Nc1ccccc1Br 34a_100000210017_100000766640 [0,2,0,0,0,0|2,0,0]=4 29851 B13R1.470 CCCC(C)Nc1ccccc1C 34a_100015192222_100000766640 [0,2,0,0,0,0|2,0,0]=4 29852 B13R1.470 CCCC(C)Nc1ccccc1Cl 34a_100000185783_100000766640 [0,2,0,0,0,0|2,0,0]=4 29853 B13R1.470 CCCC(C)Nc1ccccc1F 34a_100000210422_100000766640 [0,2,0,0,0,0|2,0,0]=4 29854 B13R1.470 CCCC(C)Nc1ccccc1I 34a_100000210053_100000766640 [0,2,0,0,0,0|2,0,0]=4 29855 B13R1.470 CCCC(C)Nc1ccccc1O 34a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 29856 B13R1.470 CCCC(C)Nc1ncccc1Br 27a_100000741246_100000696092 [0,2,0,0,0,0|1,0,0]=3 29857 B13R1.470 CCCC(C)Nc1nccnc1C 27a_100000741246_100011999405 [0,2,0,0,0,0|2,0,0]=4 29858 B13R1.470 CCCC(C)Nc1nccnc1F 27a_100000741246_200010125657 [0,2,0,0,0,0|2,0,0]=4 29859 B13R1.470 CCCC(C)Nc1ncncc1C 27a_100000741246_100011998708 [0,2,0,0,0,0|2,0,0]=4 29860 B13R1.470 CCCC(C)Nc1ncncc1F 27a_100000741246_100000069762 [0,2,0,0,0,0|2,0,0]=4 29861 B13R1.470 CCCC(C)Nc1ncncc1N 27a_100000741246_100000709731 [0,2,0,0,0,0|2,0,0]=4 29862 B13R1.470 CCCC(C)Nc1nnccc1C 27a_100000741246_100000089043 [0,2,0,0,0,0|2,0,0]=4 29863 B13R1.470 CCCC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000766640 [0,2,0,0,0,0|1,0,1]=4 29864 B13R1.470 CCCC(C)Oc1ccccc1Br 34a_100000181306_100000766640 [0,2,0,0,0,0|2,0,0]=4 29865 B13R1.470 CCCC(C)Oc1ccccc1Br 7a_100000181306_100000766640 [0,2,0,0,0,0|2,0,0]=4 29866 B13R1.470 CCCC(C)Oc1ccccc1C 34a_100000210338_100000766640 [0,2,0,0,0,0|2,0,0]=4 29867 B13R1.470 CCCC(C)Oc1ccccc1C 7a_100000210338_100000766640 [0,2,0,0,0,0|2,0,0]=4 29868 B13R1.470 CCCC(C)Oc1ccccc1Cl 34a_100000210172_100000766640 [0,2,0,0,0,0|2,0,0]=4 29869 B13R1.470 CCCC(C)Oc1ccccc1Cl 7a_100000210172_100000766640 [0,2,0,0,0,0|2,0,0]=4 29870 B13R1.470 CCCC(C)Oc1ccccc1F 34a_100000210171_100000766640 [0,2,0,0,0,0|2,0,0]=4 29871 B13R1.470 CCCC(C)Oc1ccccc1F 7a_100000210171_100000766640 [0,2,0,0,0,0|2,0,0]=4 29872 B13R1.470 CCCC(C)Oc1ccccc1I 34a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 29873 B13R1.470 CCCC(C)Oc1ccccc1I 7a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 29874 B13R1.470 CCCC(C)Oc1ccccc1N 34a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 29875 B13R1.470 CCCC(C)Oc1ccccc1N 7a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 29876 B13R1.470 CCCC(C)Oc1ncccc1Cl 34a_100011290957_100000766640 [0,2,0,0,0,0|1,0,0]=3 29877 B13R1.470 CCCC(C)Oc1ncccc1F 34a_100011219419_100000766640 [0,2,0,0,0,0|1,0,0]=3 29878 B13R1.470 CCCC(C)Oc1ncccc1N 34a_100000746358_100000766640 [0,2,0,0,0,0|1,0,0]=3 29879 B13R1.470 CCCC(C)Oc1nccnc1C 34a_100000766352_100000766640 [0,2,0,0,0,0|2,0,0]=4 29880 B13R1.470 CCCC(C)Sc1cccc[n+]1C 62a_100000766640_100000212160 [0,2,0,0,0,0|1,0,1]=4 29881 B13R1.470 CCCC(C)Sc1cccc[n+]1[O-] 62a_100000766640_200000042595 [0,2,0,0,0,0|1,0,1]=4 29882 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000695589_100000766640 [0,2,0,0,0,0|2,0,0]=4 29883 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000766640_100000695589 [0,2,0,0,0,0|2,0,0]=4 29884 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000210755_100000766640 [0,2,0,0,0,0|2,0,0]=4 29885 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000766640_100000210755 [0,2,0,0,0,0|2,0,0]=4 29886 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000764095_100000766640 [0,2,0,0,0,0|2,0,0]=4 29887 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000766640_100000764095 [0,2,0,0,0,0|2,0,0]=4 29888 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100000766640_100011215700 [0,2,0,0,0,0|2,0,0]=4 29889 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100011215700_100000766640 [0,2,0,0,0,0|2,0,0]=4 29890 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000210017_100000766640 [0,2,0,0,0,0|2,0,0]=4 29891 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000766640_100000210017 [0,2,0,0,0,0|2,0,0]=4 29892 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 29893 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000766640_100000739446 [0,2,0,0,0,0|2,0,0]=4 29894 B13R1.470 CCCC(C)Sc1ncc[nH]c1=O 62a_100000766640_100000763361 [0,2,0,0,0,0|2,0,0]=4 29895 B13R1.470 CCCC(C)Sc1ncccc1Br 62a_100000696092_100000766640 [0,2,0,0,0,0|1,0,0]=3 29896 B13R1.470 CCCC(C)Sc1ncccc1Br 62a_100000766640_100000696092 [0,2,0,0,0,0|1,0,0]=3 29897 B13R1.470 CCCC(C)Sc1ncccc1C 62a_100000751373_100000766640 [0,2,0,0,0,0|1,0,0]=3 29898 B13R1.470 CCCC(C)Sc1ncccc1C 62a_100000766640_100000751373 [0,2,0,0,0,0|1,0,0]=3 29899 B13R1.470 CCCC(C)Sc1ncccc1Cl 62a_100000766640_100011356963 [0,2,0,0,0,0|1,0,0]=3 29900 B13R1.470 CCCC(C)Sc1ncccc1Cl 62a_100011356963_100000766640 [0,2,0,0,0,0|1,0,0]=3 29901 B13R1.470 CCCC(C)Sc1ncccc1F 62a_100000685392_100000766640 [0,2,0,0,0,0|1,0,0]=3 29902 B13R1.470 CCCC(C)Sc1ncccc1F 62a_100000766640_100000685392 [0,2,0,0,0,0|1,0,0]=3 29903 B13R1.470 CCCC(C)Sc1ncccc1N 62a_100000688686_100000766640 [0,2,0,0,0,0|1,0,0]=3 29904 B13R1.470 CCCC(C)Sc1ncccc1N 62a_100000766640_100000688686 [0,2,0,0,0,0|1,0,0]=3 29905 B13R1.470 CCCC(C)Sc1ncccc1O 62a_100000034122_100000766640 [0,2,0,0,0,0|1,0,0]=3 29906 B13R1.470 CCCC(C)Sc1ncccc1O 62a_100000766640_100000034122 [0,2,0,0,0,0|1,0,0]=3 29907 B13R1.470 CCCC(C)Sc1nccnc1C 62a_100000766640_100011999405 [0,2,0,0,0,0|2,0,0]=4 29908 B13R1.470 CCCC(C)Sc1nccnc1C 62a_100011999405_100000766640 [0,2,0,0,0,0|2,0,0]=4 29909 B13R1.470 CCCC(C)Sc1nccnc1Cl 62a_100000766640_100010886584 [0,2,0,0,0,0|2,0,0]=4 29910 B13R1.470 CCCC(C)Sc1nccnc1Cl 62a_100010886584_100000766640 [0,2,0,0,0,0|2,0,0]=4 29911 B13R1.470 CCCC(C)Sc1nccnc1F 62a_100000766640_200010125657 [0,2,0,0,0,0|2,0,0]=4 29912 B13R1.470 CCCC(C)Sc1nccnc1F 62a_200010125657_100000766640 [0,2,0,0,0,0|2,0,0]=4 29913 B13R1.470 CCCC(C)Sc1nccnc1N 62a_100000747729_100000766640 [0,2,0,0,0,0|2,0,0]=4 29914 B13R1.470 CCCC(C)Sc1nccnc1N 62a_100000766640_100000747729 [0,2,0,0,0,0|2,0,0]=4 29915 B13R1.470 CCCC(C)Sc1ncncc1C 62a_100000766640_100011998708 [0,2,0,0,0,0|2,0,0]=4 29916 B13R1.470 CCCC(C)Sc1ncncc1C 62a_100011998708_100000766640 [0,2,0,0,0,0|2,0,0]=4 29917 B13R1.470 CCCC(C)Sc1ncncc1F 62a_100000069762_100000766640 [0,2,0,0,0,0|2,0,0]=4 29918 B13R1.470 CCCC(C)Sc1ncncc1F 62a_100000766640_100000069762 [0,2,0,0,0,0|2,0,0]=4 29919 B13R1.470 CCCC(C)Sc1ncncc1N 62a_100000709731_100000766640 [0,2,0,0,0,0|2,0,0]=4 29920 B13R1.470 CCCC(C)Sc1ncncc1N 62a_100000766640_100000709731 [0,2,0,0,0,0|2,0,0]=4 29921 B13R1.470 CCCC(C)Sc1nnccc1C 62a_100000766640_100000089043 [0,2,0,0,0,0|2,0,0]=4 29922 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210303 [0,2,0,0,0,0|2,0,0]=4 29923 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 29924 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000747261_100000184730 [0,2,0,0,0,0|2,0,0]=4 29925 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210303 [0,2,0,0,0,0|2,0,0]=4 29926 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 29927 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000747261_100000184730 [0,2,0,0,0,0|2,0,0]=4 29928 B13R1.470 CCCN(C)Cc1ccccc1Br 26a_100000747261_100000181306 [0,2,0,0,0,0|2,0,0]=4 29929 B13R1.470 CCCN(C)Cc1ccccc1Br 270004a_100000747261_100000211189 [0,2,0,0,0,0|2,0,0]=4 29930 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000184421_100000210303 [0,2,0,0,0,0|2,0,0]=4 29931 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000747261_100000211839 [0,2,0,0,0,0|2,0,0]=4 29932 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100015185261_200000210301 [0,2,0,0,0,0|2,0,0]=4 29933 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000184421_100000210303 [0,2,0,0,0,0|2,0,0]=4 29934 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000747261_100000211839 [0,2,0,0,0,0|2,0,0]=4 29935 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100015185261_200000210301 [0,2,0,0,0,0|2,0,0]=4 29936 B13R1.470 CCCN(C)Cc1ccccc1C 270004a_100000747261_100000211143 [0,2,0,0,0,0|2,0,0]=4 29937 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210303 [0,2,0,0,0,0|2,0,0]=4 29938 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000747261_100000187162 [0,2,0,0,0,0|2,0,0]=4 29939 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 29940 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210303 [0,2,0,0,0,0|2,0,0]=4 29941 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000747261_100000187162 [0,2,0,0,0,0|2,0,0]=4 29942 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 29943 B13R1.470 CCCN(C)Cc1ccccc1Cl 26a_100000747261_100000210172 [0,2,0,0,0,0|2,0,0]=4 29944 B13R1.470 CCCN(C)Cc1ccccc1Cl 270004a_100000747261_100000210073 [0,2,0,0,0,0|2,0,0]=4 29945 B13R1.470 CCCN(C)Cc1ccccc1Cl 34a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 29946 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 29947 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000747261_100000211605 [0,2,0,0,0,0|2,0,0]=4 29948 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 29949 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 29950 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000747261_100000211605 [0,2,0,0,0,0|2,0,0]=4 29951 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 29952 B13R1.470 CCCN(C)Cc1ccccc1F 270004a_100000747261_100000210811 [0,2,0,0,0,0|2,0,0]=4 29953 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 29954 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 29955 B13R1.470 CCCN(C)Cc1ccccc1I 2230a_100000747261_100011215278 [0,2,0,0,0,0|2,0,0]=4 29956 B13R1.470 CCCN(C)Cc1ccccc1I 269982a_100000747261_100011215278 [0,2,0,0,0,0|2,0,0]=4 29957 B13R1.470 CCCN(C)Cc1ccccc1I 270004a_100000747261_100000010305 [0,2,0,0,0,0|2,0,0]=4 29958 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 29959 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 29960 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 29961 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 29962 B13R1.470 CCCN(C)Cc1ncccc1Br 2230a_100000747261_100025702911 [0,2,0,0,0,0|1,0,0]=3 29963 B13R1.470 CCCN(C)Cc1ncccc1Br 270004a_100000747261_100011934733 [0,2,0,0,0,0|1,0,0]=3 29964 B13R1.470 CCCN(C)Cc1ncccc1C 2230a_100000747261_100000696600 [0,2,0,0,0,0|1,0,0]=3 29965 B13R1.470 CCCN(C)Cc1ncccc1C 269982a_100000747261_100000696600 [0,2,0,0,0,0|1,0,0]=3 29966 B13R1.470 CCCN(C)Cc1ncccc1C 270004a_100000747261_100000698913 [0,2,0,0,0,0|1,0,0]=3 29967 B13R1.470 CCCN(C)Cc1ncccc1Cl 2230a_100000747261_100000099807 [0,2,0,0,0,0|1,0,0]=3 29968 B13R1.470 CCCN(C)Cc1ncccc1Cl 269982a_100000747261_100000099807 [0,2,0,0,0,0|1,0,0]=3 29969 B13R1.470 CCCN(C)Cc1ncccc1Cl 270004a_100000747261_100012001307 [0,2,0,0,0,0|1,0,0]=3 29970 B13R1.470 CCCN(C)Cc1ncccc1F 2230a_100000747261_100000104219 [0,2,0,0,0,0|1,0,0]=3 29971 B13R1.470 CCCN(C)Cc1ncccc1F 269982a_100000747261_100000104219 [0,2,0,0,0,0|1,0,0]=3 29972 B13R1.470 CCCN(C)Cc1ncccc1F 270004a_100000747261_100011934734 [0,2,0,0,0,0|1,0,0]=3 29973 B13R1.470 CCCN(C)Cc1nccnc1C 270004a_100000747261_100000050726 [0,2,0,0,0,0|2,0,0]=4 29974 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 2230a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 29975 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 269982a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 29976 B13R1.470 CCCN([13CH3])Cc1ccccc1C 2230a_100015185261_200025704644 [0,2,0,0,0,0|2,0,0]=4 29977 B13R1.470 CCCN([13CH3])Cc1ccccc1C 269982a_100015185261_200025704644 [0,2,0,0,0,0|2,0,0]=4 29978 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 2230a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 29979 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 269982a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 29980 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 34a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 29981 B13R1.470 CCCN([13CH3])Cc1ccccc1F 2230a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 29982 B13R1.470 CCCN([13CH3])Cc1ccccc1F 269982a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 29983 B13R1.470 CCCN([13CH3])Cc1ccccc1F 34a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 29984 B13R1.470 CCCN([13CH3])Cc1ccccc1O 2230a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 29985 B13R1.470 CCCN([13CH3])Cc1ccccc1O 269982a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 29986 B13R1.470 CCNC(=O)Cc1ncccc1Br 11a_100015525214_200012357574 [0,2,0,0,0,0|1,0,1]=4 29987 B13R1.470 CCNC(=O)Cc1ncccc1Br 240690a_100015525214_200012357574 [0,2,0,0,0,0|1,0,1]=4 29988 B13R1.470 CCNC(=O)Cc1ncccc1C 11a_100015525214_200000722269 [0,2,0,0,0,0|1,0,1]=4 29989 B13R1.470 CCNC(=O)Cc1ncccc1C 240690a_100015525214_200000722269 [0,2,0,0,0,0|1,0,1]=4 29990 B13R1.470 CCNC(=O)Cc1ncccc1Cl 11a_100015525214_100011998755 [0,2,0,0,0,0|1,0,1]=4 29991 B13R1.470 CCNC(=O)Cc1ncccc1Cl 240690a_100015525214_100011998755 [0,2,0,0,0,0|1,0,1]=4 29992 B13R1.470 CCNC(=O)Cc1ncccc1Cl 527a_100015525214_100011998755 [0,2,0,0,0,0|1,0,1]=4 29993 B13R1.470 CCNC(C)Cc1ccccc1Br 270004a_100015525214_100011350739 [0,2,0,0,0,0|2,0,0]=4 29994 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,2,0,0,0,0|2,0,0]=4 29995 B13R1.470 CCNC(C)Cc1ccccc1Cl 270004a_100015525214_100000758791 [0,2,0,0,0,0|2,0,0]=4 29996 B13R1.470 CCNC(C)Cc1ccccc1F 270004a_100015525214_100000709178 [0,2,0,0,0,0|2,0,0]=4 29997 B13R1.470 CCNC(C)Cc1ncccc1C 270004a_100015525214_100011823981 [0,2,0,0,0,0|1,0,0]=3 29998 B13R1.470 CCOC(=O)Cc1ncccc1O 271570a_203496583355_100016306959 [0,2,0,0,0,0|1,0,1]=4 29999 B13R1.470 CN(CCO)Cc1ncccc1Br 2230a_100000210263_100025702911 [0,2,0,0,0,0|2,0,0]=4 30000 B13R1.470 CN(CCO)Cc1ncccc1Br 270004a_100000210263_100011934733 [0,2,0,0,0,0|2,0,0]=4 30001 B13R1.470 CN(CCO)Cc1ncccc1Cl 2230a_100000210263_100000099807 [0,2,0,0,0,0|2,0,0]=4 30002 B13R1.470 CN(CCO)Cc1ncccc1Cl 269982a_100000210263_100000099807 [0,2,0,0,0,0|2,0,0]=4 30003 B13R1.470 CN(CCO)Cc1ncccc1Cl 270004a_100000210263_100012001307 [0,2,0,0,0,0|2,0,0]=4 30004 B13R1.470 CN(CCO)Cc1ncccc1F 2230a_100000210263_100000104219 [0,2,0,0,0,0|2,0,0]=4 30005 B13R1.470 CN(CCO)Cc1ncccc1F 269982a_100000210263_100000104219 [0,2,0,0,0,0|2,0,0]=4 30006 B13R1.470 CN(CCO)Cc1ncccc1F 270004a_100000210263_100011934734 [0,2,0,0,0,0|2,0,0]=4 30007 B13R1.470 COCC(=O)Cc1ncccc1Br 1458a_100000210968_100025702911 [0,2,0,0,0,0|1,0,1]=4 30008 B13R1.470 COCC(=O)Cc1ncccc1C 1458a_100000210968_100000696600 [0,2,0,0,0,0|1,0,1]=4 30009 B13R1.470 COCC(=O)Cc1ncccc1Cl 1458a_100000210968_100000099807 [0,2,0,0,0,0|1,0,1]=4 30010 B13R1.470 COCC(=O)Cc1ncccc1F 1458a_100000210968_100000104219 [0,2,0,0,0,0|1,0,1]=4 30011 B13R1.470 COCC(=O)Cc1ncccc1O 1458a_100000210968_200020655725 [0,2,0,0,0,0|1,0,1]=4 30012 B13R1.470 COCC(C)Oc1ncccc1Cl 34a_100011290957_100000765312 [0,2,0,0,0,0|2,0,0]=4 30013 B13R1.470 COCC(C)Oc1ncccc1F 34a_100011219419_100000765312 [0,2,0,0,0,0|2,0,0]=4 30014 B13R1.470 COCC(C)Oc1ncccc1N 34a_100000746358_100000765312 [0,2,0,0,0,0|2,0,0]=4 30015 B13R1.470 COCC(C)Sc1ncccc1Br 62a_100000696092_100000765312 [0,2,0,0,0,0|2,0,0]=4 30016 B13R1.470 COCC(C)Sc1ncccc1Br 62a_100000765312_100000696092 [0,2,0,0,0,0|2,0,0]=4 30017 B13R1.470 COCC(C)Sc1ncccc1C 62a_100000751373_100000765312 [0,2,0,0,0,0|2,0,0]=4 30018 B13R1.470 COCC(C)Sc1ncccc1C 62a_100000765312_100000751373 [0,2,0,0,0,0|2,0,0]=4 30019 B13R1.470 COCC(C)Sc1ncccc1Cl 62a_100000765312_100011356963 [0,2,0,0,0,0|2,0,0]=4 30020 B13R1.470 COCC(C)Sc1ncccc1Cl 62a_100011356963_100000765312 [0,2,0,0,0,0|2,0,0]=4 30021 B13R1.470 COCC(C)Sc1ncccc1F 62a_100000685392_100000765312 [0,2,0,0,0,0|2,0,0]=4 30022 B13R1.470 COCC(C)Sc1ncccc1F 62a_100000765312_100000685392 [0,2,0,0,0,0|2,0,0]=4 30023 B13R1.470 COCC(C)Sc1ncccc1N 62a_100000688686_100000765312 [0,2,0,0,0,0|2,0,0]=4 30024 B13R1.470 COCC(C)Sc1ncccc1N 62a_100000765312_100000688686 [0,2,0,0,0,0|2,0,0]=4 30025 B13R1.470 COCC(C)Sc1ncccc1O 62a_100000034122_100000765312 [0,2,0,0,0,0|2,0,0]=4 30026 B13R1.470 COCC(C)Sc1ncccc1O 62a_100000765312_100000034122 [0,2,0,0,0,0|2,0,0]=4 30027 B13R1.470 COCC(N)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|2,0,0]=4 30028 B13R1.470 COC[C@@H](C)Nc1ncccc1Br 27a_100000764878_100000696092 [0,2,0,0,0,0|2,0,0]=4 30029 B13R1.470 CSCC(=O)Cc1ncccc1Br 1458a_100000184570_100025702911 [0,2,0,0,0,0|1,0,1]=4 30030 B13R1.470 CSCC(=O)Cc1ncccc1C 1458a_100000184570_100000696600 [0,2,0,0,0,0|1,0,1]=4 30031 B13R1.470 CSCC(=O)Cc1ncccc1Cl 1458a_100000184570_100000099807 [0,2,0,0,0,0|1,0,1]=4 30032 B13R1.470 CSCC(=O)Cc1ncccc1F 1458a_100000184570_100000104219 [0,2,0,0,0,0|1,0,1]=4 30033 B13R1.470 CSCC(=O)Cc1ncccc1O 1458a_100000184570_200020655725 [0,2,0,0,0,0|1,0,1]=4 30034 B13R1.470 C[C@H](CCO)Nc1ncccc1Br 27a_100000706166_100000696092 [0,2,0,0,0,0|2,0,0]=4 30035 B13R1.470 Cc1cccnc1CC(=O)CCF 1458a_200000722269_100011217306 [0,2,0,0,0,0|1,0,1]=4 30036 B13R1.470 Cc1cccnc1CC(=O)CCO 1458a_100011216618_100000696600 [0,2,0,0,0,0|1,0,1]=4 30037 B13R1.470 Cc1cccnc1CC(=O)CCO 1458a_200000722269_100000211926 [0,2,0,0,0,0|1,0,1]=4 30038 B13R1.470 Cc1cccnc1CN(C)CCO 2230a_100000210263_100000696600 [0,2,0,0,0,0|2,0,0]=4 30039 B13R1.470 Cc1cccnc1CN(C)CCO 269982a_100000210263_100000696600 [0,2,0,0,0,0|2,0,0]=4 30040 B13R1.470 Cc1cccnc1CN(C)CCO 270004a_100000210263_100000698913 [0,2,0,0,0,0|2,0,0]=4 30041 B13R1.470 Cc1cccnc1SC(C)CCO 62a_100000751373_100009893172 [0,2,0,0,0,0|2,0,0]=4 30042 B13R1.470 Cc1cccnc1SC(C)CCO 62a_100009893172_100000751373 [0,2,0,0,0,0|2,0,0]=4 30043 B13R1.470 O=C(CCF)Cc1ncccc1Br 1458a_200012357574_100011217306 [0,2,0,0,0,0|1,0,1]=4 30044 B13R1.470 O=C(CCF)Cc1ncccc1Cl 1458a_100011998755_100011217306 [0,2,0,0,0,0|1,0,1]=4 30045 B13R1.470 O=C(CCO)Cc1ncccc1Br 1458a_100011216618_100025702911 [0,2,0,0,0,0|1,0,1]=4 30046 B13R1.470 O=C(CCO)Cc1ncccc1Br 1458a_200012357574_100000211926 [0,2,0,0,0,0|1,0,1]=4 30047 B13R1.470 O=C(CCO)Cc1ncccc1Cl 1458a_100011216618_100000099807 [0,2,0,0,0,0|1,0,1]=4 30048 B13R1.470 O=C(CCO)Cc1ncccc1Cl 1458a_100011998755_100000211926 [0,2,0,0,0,0|1,0,1]=4 30049 B13R1.470 O=C(CCO)Cc1ncccc1F 1458a_100011216618_100000104219 [0,2,0,0,0,0|1,0,1]=4 30050 B13R1.470 O=C(CCO)Cc1ncccc1O 1458a_100011216618_200020655725 [0,2,0,0,0,0|1,0,1]=4 30051 B13R1.470 [13CH3]OCC(N)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|2,0,0]=4 30052 B13R1.1327 CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210202 [0,2,0,0,0,0|2,0,0]=4 30053 B13R1.158 C=C(C)CCOc1ncccc1Cl 34a_100011290957_100000730704 [0,2,0,0,0,0|1,0,1]=4 30054 B13R1.158 C=C(C)CCOc1ncccc1F 34a_100011219419_100000730704 [0,2,0,0,0,0|1,0,1]=4 30055 B13R1.158 C=C(C)CCOc1ncccc1N 34a_100000746358_100000730704 [0,2,0,0,0,0|1,0,1]=4 30056 B13R1.158 C=C(C)CCSc1ncccc1Br 62a_100000696092_100000730704 [0,2,0,0,0,0|1,0,1]=4 30057 B13R1.158 C=C(C)CCSc1ncccc1Br 62a_100000730704_100000696092 [0,2,0,0,0,0|1,0,1]=4 30058 B13R1.158 C=C(C)CCSc1ncccc1C 62a_100000730704_100000751373 [0,2,0,0,0,0|1,0,1]=4 30059 B13R1.158 C=C(C)CCSc1ncccc1C 62a_100000751373_100000730704 [0,2,0,0,0,0|1,0,1]=4 30060 B13R1.158 C=C(C)CCSc1ncccc1Cl 62a_100000730704_100011356963 [0,2,0,0,0,0|1,0,1]=4 30061 B13R1.158 C=C(C)CCSc1ncccc1Cl 62a_100011356963_100000730704 [0,2,0,0,0,0|1,0,1]=4 30062 B13R1.158 C=C(C)CCSc1ncccc1F 62a_100000685392_100000730704 [0,2,0,0,0,0|1,0,1]=4 30063 B13R1.158 C=C(C)CCSc1ncccc1F 62a_100000730704_100000685392 [0,2,0,0,0,0|1,0,1]=4 30064 B13R1.158 C=C(C)CCSc1ncccc1N 62a_100000688686_100000730704 [0,2,0,0,0,0|1,0,1]=4 30065 B13R1.158 C=C(C)CCSc1ncccc1N 62a_100000730704_100000688686 [0,2,0,0,0,0|1,0,1]=4 30066 B13R1.158 C=C(C)CCSc1ncccc1O 62a_100000034122_100000730704 [0,2,0,0,0,0|1,0,1]=4 30067 B13R1.158 C=C(C)CCSc1ncccc1O 62a_100000730704_100000034122 [0,2,0,0,0,0|1,0,1]=4 30068 B13R1.158 C=C(C)CNCc1ncccc1C 34a_100011223789_100000748629 [0,2,0,0,0,0|1,0,1]=4 30069 B13R1.158 C=C(C)CNCc1ncccc1Cl 2230a_100015189233_100000748629 [0,2,0,0,0,0|1,0,1]=4 30070 B13R1.158 C=C(C)CNCc1ncccc1F 34a_100000690088_100000748629 [0,2,0,0,0,0|1,0,1]=4 30071 B13R1.158 C=C(C)COCc1ncccc1Br 34a_100000210245_100025702911 [0,2,0,0,0,0|1,0,1]=4 30072 B13R1.158 C=C(C)COCc1ncccc1Br 34a_100011996772_100000748629 [0,2,0,0,0,0|1,0,1]=4 30073 B13R1.158 C=C(C)COCc1ncccc1C 34a_100000210245_100000696600 [0,2,0,0,0,0|1,0,1]=4 30074 B13R1.158 C=C(C)COCc1ncccc1C 34a_100000698912_100000748629 [0,2,0,0,0,0|1,0,1]=4 30075 B13R1.158 C=C(C)COCc1ncccc1Cl 34a_100012002383_100000748629 [0,2,0,0,0,0|1,0,1]=4 30076 B13R1.158 C=C(C)COCc1ncccc1F 34a_100000210245_100000104219 [0,2,0,0,0,0|1,0,1]=4 30077 B13R1.158 C=C(C)COCc1ncccc1F 34a_100011934865_100000748629 [0,2,0,0,0,0|1,0,1]=4 30078 B13R1.158 C=C(C)COCc1ncccc1N 34a_114873767017_100000748629 [0,2,0,0,0,0|1,0,1]=4 30079 B13R1.158 C=C(C)COCc1ncccc1O 34a_100000210245_200020655725 [0,2,0,0,0,0|1,0,1]=4 30080 B13R1.158 C=C(C)CSCc1ncccc1Br 62a_100000748629_100025702911 [0,2,0,0,0,0|1,0,1]=4 30081 B13R1.158 C=C(C)CSCc1ncccc1Br 62a_100025702911_100000211660 [0,2,0,0,0,0|1,0,1]=4 30082 B13R1.158 C=C(C)CSCc1ncccc1C 62a_100000696600_100000211660 [0,2,0,0,0,0|1,0,1]=4 30083 B13R1.158 C=C(C)CSCc1ncccc1C 62a_100000748629_100000696600 [0,2,0,0,0,0|1,0,1]=4 30084 B13R1.158 C=C(C)CSCc1ncccc1Cl 62a_100000099807_100000211660 [0,2,0,0,0,0|1,0,1]=4 30085 B13R1.158 C=C(C)CSCc1ncccc1Cl 62a_100000748629_100000099807 [0,2,0,0,0,0|1,0,1]=4 30086 B13R1.158 C=C(C)CSCc1ncccc1F 62a_100000104219_100000211660 [0,2,0,0,0,0|1,0,1]=4 30087 B13R1.158 C=C(C)CSCc1ncccc1F 62a_100000748629_100000104219 [0,2,0,0,0,0|1,0,1]=4 30088 B13R1.158 C=C(C)CSCc1ncccc1O 62a_100000748629_200020655725 [0,2,0,0,0,0|1,0,1]=4 30089 B13R1.158 C=C(C)CSCc1ncccc1O 62a_200020655725_100000211660 [0,2,0,0,0,0|1,0,1]=4 30090 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,2,0,0,0,0|1,0,1]=4 30091 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,2,0,0,0,0|1,0,1]=4 30092 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,2,0,0,0,0|1,0,1]=4 30093 B13R1.158 CC(=O)CCSc1ncccc1Br 62a_100000053229_100000696092 [0,2,0,0,0,0|1,0,1]=4 30094 B13R1.158 CC(=O)CCSc1ncccc1Br 62a_100000696092_100000053229 [0,2,0,0,0,0|1,0,1]=4 30095 B13R1.158 CC(=O)CCSc1ncccc1C 62a_100000053229_100000751373 [0,2,0,0,0,0|1,0,1]=4 30096 B13R1.158 CC(=O)CCSc1ncccc1C 62a_100000751373_100000053229 [0,2,0,0,0,0|1,0,1]=4 30097 B13R1.158 CC(=O)CCSc1ncccc1Cl 62a_100000053229_100011356963 [0,2,0,0,0,0|1,0,1]=4 30098 B13R1.158 CC(=O)CCSc1ncccc1Cl 62a_100011356963_100000053229 [0,2,0,0,0,0|1,0,1]=4 30099 B13R1.158 CC(=O)CCSc1ncccc1F 62a_100000053229_100000685392 [0,2,0,0,0,0|1,0,1]=4 30100 B13R1.158 CC(=O)CCSc1ncccc1F 62a_100000685392_100000053229 [0,2,0,0,0,0|1,0,1]=4 30101 B13R1.158 CC(=O)CCSc1ncccc1N 62a_100000053229_100000688686 [0,2,0,0,0,0|1,0,1]=4 30102 B13R1.158 CC(=O)CCSc1ncccc1N 62a_100000688686_100000053229 [0,2,0,0,0,0|1,0,1]=4 30103 B13R1.158 CC(=O)CCSc1ncccc1O 62a_100000034122_100000053229 [0,2,0,0,0,0|1,0,1]=4 30104 B13R1.158 CC(=O)CCSc1ncccc1O 62a_100000053229_100000034122 [0,2,0,0,0,0|1,0,1]=4 30105 B13R1.158 CC(=O)COCc1ncccc1Br 34a_100000211253_100025702911 [0,2,0,0,0,0|1,0,1]=4 30106 B13R1.158 CC(=O)COCc1ncccc1C 34a_100000211253_100000696600 [0,2,0,0,0,0|1,0,1]=4 30107 B13R1.158 CC(=O)COCc1ncccc1F 34a_100000211253_100000104219 [0,2,0,0,0,0|1,0,1]=4 30108 B13R1.158 CC(=O)COCc1ncccc1O 34a_100000211253_200020655725 [0,2,0,0,0,0|1,0,1]=4 30109 B13R1.158 CC(Br)COCc1ccccc1Br 34a_100012180447_100000184730 [0,2,0,0,0,0|2,0,0]=4 30110 B13R1.158 CC(Br)COCc1ccccc1Cl 34a_100012180447_100000187162 [0,2,0,0,0,0|2,0,0]=4 30111 B13R1.158 CC(Br)COCc1ccccc1F 34a_100012180447_100000211605 [0,2,0,0,0,0|2,0,0]=4 30112 B13R1.158 CC(Br)COCc1ccccc1I 34a_100012180447_100011215278 [0,2,0,0,0,0|2,0,0]=4 30113 B13R1.158 CC(Br)COCc1ncccc1Br 34a_100012180447_100025702911 [0,2,0,0,0,0|1,0,0]=3 30114 B13R1.158 CC(Br)COCc1ncccc1F 34a_100012180447_100000104219 [0,2,0,0,0,0|1,0,0]=3 30115 B13R1.158 CC(Br)COCc1ncccc1O 34a_100012180447_200020655725 [0,2,0,0,0,0|1,0,0]=3 30116 B13R1.158 CC(C)CC=Cc1ncccc1Br 271570a_100016259101_100000696092 [0,2,0,0,0,0|0,0,2]=4 30117 B13R1.158 CC(C)CC=Cc1ncccc1Cl 271570a_100016259101_100011356963 [0,2,0,0,0,0|0,0,2]=4 30118 B13R1.158 CC(C)CC=Cc1ncccc1F 271570a_100016259101_100000685392 [0,2,0,0,0,0|0,0,2]=4 30119 B13R1.158 CC(C)CC=Cc1ncccc1N 271570a_100016259101_100000688686 [0,2,0,0,0,0|0,0,2]=4 30120 B13R1.158 CC(C)CC=Cc1ncccc1O 271570a_100016259101_100000034122 [0,2,0,0,0,0|0,0,2]=4 30121 B13R1.158 CC(C)CCNc1ccccc1Br 34a_100000210017_100000210312 [0,2,0,0,0,0|2,0,0]=4 30122 B13R1.158 CC(C)CCNc1ccccc1Cl 34a_100000185783_100000210312 [0,2,0,0,0,0|2,0,0]=4 30123 B13R1.158 CC(C)CCNc1ccccc1F 34a_100000210422_100000210312 [0,2,0,0,0,0|2,0,0]=4 30124 B13R1.158 CC(C)CCNc1ccccc1I 34a_100000210053_100000210312 [0,2,0,0,0,0|2,0,0]=4 30125 B13R1.158 CC(C)CCNc1ccccc1O 34a_100000185747_100000210312 [0,2,0,0,0,0|2,0,0]=4 30126 B13R1.158 CC(C)CCNc1ncccc1Br 27a_100000210545_100000696092 [0,2,0,0,0,0|1,0,0]=3 30127 B13R1.158 CC(C)CCNc1nccnc1F 27a_100000210545_200010125657 [0,2,0,0,0,0|2,0,0]=4 30128 B13R1.158 CC(C)CCNc1ncncc1F 27a_100000210545_100000069762 [0,2,0,0,0,0|2,0,0]=4 30129 B13R1.158 CC(C)CCNc1ncncc1N 27a_100000210545_100000709731 [0,2,0,0,0,0|2,0,0]=4 30130 B13R1.158 CC(C)CCOc1cccc[n+]1[O-] 7a_100000211761_100000210626 [0,2,0,0,0,0|1,0,1]=4 30131 B13R1.158 CC(C)CCOc1ccccc1Br 34a_100000181306_100000210312 [0,2,0,0,0,0|2,0,0]=4 30132 B13R1.158 CC(C)CCOc1ccccc1Br 7a_100000181306_100000210626 [0,2,0,0,0,0|2,0,0]=4 30133 B13R1.158 CC(C)CCOc1ccccc1Cl 34a_100000210172_100000210312 [0,2,0,0,0,0|2,0,0]=4 30134 B13R1.158 CC(C)CCOc1ccccc1Cl 7a_100000210172_100000210626 [0,2,0,0,0,0|2,0,0]=4 30135 B13R1.158 CC(C)CCOc1ccccc1F 34a_100000210171_100000210312 [0,2,0,0,0,0|2,0,0]=4 30136 B13R1.158 CC(C)CCOc1ccccc1F 7a_100000210171_100000210626 [0,2,0,0,0,0|2,0,0]=4 30137 B13R1.158 CC(C)CCOc1ccccc1I 34a_100000739446_100000210312 [0,2,0,0,0,0|2,0,0]=4 30138 B13R1.158 CC(C)CCOc1ccccc1I 7a_100000739446_100000210626 [0,2,0,0,0,0|2,0,0]=4 30139 B13R1.158 CC(C)CCOc1ccccc1N 34a_100000185747_100000210312 [0,2,0,0,0,0|2,0,0]=4 30140 B13R1.158 CC(C)CCOc1ccccc1N 7a_100000185747_100000210626 [0,2,0,0,0,0|2,0,0]=4 30141 B13R1.158 CC(C)CCOc1ncccc1Cl 34a_100011290957_100000210312 [0,2,0,0,0,0|1,0,0]=3 30142 B13R1.158 CC(C)CCOc1ncccc1F 34a_100011219419_100000210312 [0,2,0,0,0,0|1,0,0]=3 30143 B13R1.158 CC(C)CCOc1ncccc1N 34a_100000746358_100000210312 [0,2,0,0,0,0|1,0,0]=3 30144 B13R1.158 CC(C)CCSc1cccc[n+]1C 62a_100000210312_100000212160 [0,2,0,0,0,0|1,0,1]=4 30145 B13R1.158 CC(C)CCSc1cccc[n+]1[O-] 62a_100000210312_200000042595 [0,2,0,0,0,0|1,0,1]=4 30146 B13R1.158 CC(C)CCSc1ccccc1Br 62a_100000210312_100000695589 [0,2,0,0,0,0|2,0,0]=4 30147 B13R1.158 CC(C)CCSc1ccccc1Br 62a_100000695589_100000210312 [0,2,0,0,0,0|2,0,0]=4 30148 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000210312_100000764095 [0,2,0,0,0,0|2,0,0]=4 30149 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000764095_100000210312 [0,2,0,0,0,0|2,0,0]=4 30150 B13R1.158 CC(C)CCSc1ccccc1F 62a_100000210312_100011215700 [0,2,0,0,0,0|2,0,0]=4 30151 B13R1.158 CC(C)CCSc1ccccc1F 62a_100011215700_100000210312 [0,2,0,0,0,0|2,0,0]=4 30152 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210017_100000210312 [0,2,0,0,0,0|2,0,0]=4 30153 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210312_100000210017 [0,2,0,0,0,0|2,0,0]=4 30154 B13R1.158 CC(C)CCSc1ccccc1O 62a_100000210312_100000739446 [0,2,0,0,0,0|2,0,0]=4 30155 B13R1.158 CC(C)CCSc1ccccc1O 62a_100000739446_100000210312 [0,2,0,0,0,0|2,0,0]=4 30156 B13R1.158 CC(C)CCSc1ncc[nH]c1=O 62a_100000210312_100000763361 [0,2,0,0,0,0|2,0,0]=4 30157 B13R1.158 CC(C)CCSc1ncccc1Br 62a_100000210312_100000696092 [0,2,0,0,0,0|1,0,0]=3 30158 B13R1.158 CC(C)CCSc1ncccc1Br 62a_100000696092_100000210312 [0,2,0,0,0,0|1,0,0]=3 30159 B13R1.158 CC(C)CCSc1ncccc1Cl 62a_100000210312_100011356963 [0,2,0,0,0,0|1,0,0]=3 30160 B13R1.158 CC(C)CCSc1ncccc1Cl 62a_100011356963_100000210312 [0,2,0,0,0,0|1,0,0]=3 30161 B13R1.158 CC(C)CCSc1ncccc1F 62a_100000210312_100000685392 [0,2,0,0,0,0|1,0,0]=3 30162 B13R1.158 CC(C)CCSc1ncccc1F 62a_100000685392_100000210312 [0,2,0,0,0,0|1,0,0]=3 30163 B13R1.158 CC(C)CCSc1ncccc1N 62a_100000210312_100000688686 [0,2,0,0,0,0|1,0,0]=3 30164 B13R1.158 CC(C)CCSc1ncccc1N 62a_100000688686_100000210312 [0,2,0,0,0,0|1,0,0]=3 30165 B13R1.158 CC(C)CCSc1ncccc1O 62a_100000034122_100000210312 [0,2,0,0,0,0|1,0,0]=3 30166 B13R1.158 CC(C)CCSc1ncccc1O 62a_100000210312_100000034122 [0,2,0,0,0,0|1,0,0]=3 30167 B13R1.158 CC(C)CCSc1nccnc1Cl 62a_100000210312_100010886584 [0,2,0,0,0,0|2,0,0]=4 30168 B13R1.158 CC(C)CCSc1nccnc1Cl 62a_100010886584_100000210312 [0,2,0,0,0,0|2,0,0]=4 30169 B13R1.158 CC(C)CCSc1nccnc1F 62a_100000210312_200010125657 [0,2,0,0,0,0|2,0,0]=4 30170 B13R1.158 CC(C)CCSc1nccnc1F 62a_200010125657_100000210312 [0,2,0,0,0,0|2,0,0]=4 30171 B13R1.158 CC(C)CCSc1nccnc1N 62a_100000210312_100000747729 [0,2,0,0,0,0|2,0,0]=4 30172 B13R1.158 CC(C)CCSc1nccnc1N 62a_100000747729_100000210312 [0,2,0,0,0,0|2,0,0]=4 30173 B13R1.158 CC(C)CCSc1ncncc1F 62a_100000069762_100000210312 [0,2,0,0,0,0|2,0,0]=4 30174 B13R1.158 CC(C)CCSc1ncncc1F 62a_100000210312_100000069762 [0,2,0,0,0,0|2,0,0]=4 30175 B13R1.158 CC(C)CCSc1ncncc1N 62a_100000210312_100000709731 [0,2,0,0,0,0|2,0,0]=4 30176 B13R1.158 CC(C)CCSc1ncncc1N 62a_100000709731_100000210312 [0,2,0,0,0,0|2,0,0]=4 30177 B13R1.158 CC(C)CNCc1ccccc1Br 207a_100000210953_100000211189 [0,2,0,0,0,0|2,0,0]=4 30178 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000210953_100000184730 [0,2,0,0,0,0|2,0,0]=4 30179 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000689332_100000210760 [0,2,0,0,0,0|2,0,0]=4 30180 B13R1.158 CC(C)CNCc1ccccc1Br 26a_100000210953_100000181306 [0,2,0,0,0,0|2,0,0]=4 30181 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000210953_100000211189 [0,2,0,0,0,0|2,0,0]=4 30182 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000689332_100000210432 [0,2,0,0,0,0|2,0,0]=4 30183 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000210953_100000184730 [0,2,0,0,0,0|2,0,0]=4 30184 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000689332_100000210624 [0,2,0,0,0,0|2,0,0]=4 30185 B13R1.158 CC(C)CNCc1ccccc1Cl 207a_100000210953_100000210073 [0,2,0,0,0,0|2,0,0]=4 30186 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000174879_100000210760 [0,2,0,0,0,0|2,0,0]=4 30187 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000210953_100000187162 [0,2,0,0,0,0|2,0,0]=4 30188 B13R1.158 CC(C)CNCc1ccccc1Cl 26a_100000210953_100000210172 [0,2,0,0,0,0|2,0,0]=4 30189 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000174879_100000210432 [0,2,0,0,0,0|2,0,0]=4 30190 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000210953_100000210073 [0,2,0,0,0,0|2,0,0]=4 30191 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000174879_100000210624 [0,2,0,0,0,0|2,0,0]=4 30192 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000210953_100000187162 [0,2,0,0,0,0|2,0,0]=4 30193 B13R1.158 CC(C)CNCc1ccccc1F 207a_100000210953_100000210811 [0,2,0,0,0,0|2,0,0]=4 30194 B13R1.158 CC(C)CNCc1ccccc1F 2230a_100000210953_100000211605 [0,2,0,0,0,0|2,0,0]=4 30195 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000174869_100000210432 [0,2,0,0,0,0|2,0,0]=4 30196 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000210953_100000210811 [0,2,0,0,0,0|2,0,0]=4 30197 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000174869_100000210624 [0,2,0,0,0,0|2,0,0]=4 30198 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000210953_100000211605 [0,2,0,0,0,0|2,0,0]=4 30199 B13R1.158 CC(C)CNCc1ccccc1I 207a_100000210953_100000010305 [0,2,0,0,0,0|2,0,0]=4 30200 B13R1.158 CC(C)CNCc1ccccc1I 2230a_100000210953_100011215278 [0,2,0,0,0,0|2,0,0]=4 30201 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100000210953_100000010305 [0,2,0,0,0,0|2,0,0]=4 30202 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100015347259_100000210432 [0,2,0,0,0,0|2,0,0]=4 30203 B13R1.158 CC(C)CNCc1ccccc1I 34a_100000210953_100011215278 [0,2,0,0,0,0|2,0,0]=4 30204 B13R1.158 CC(C)CNCc1ccccc1O 270004a_100000185550_100000210432 [0,2,0,0,0,0|2,0,0]=4 30205 B13R1.158 CC(C)CNCc1ccccc1O 34a_100000185550_100000210624 [0,2,0,0,0,0|2,0,0]=4 30206 B13R1.158 CC(C)CNCc1ncccc1Br 207a_100000210953_100011934733 [0,2,0,0,0,0|1,0,0]=3 30207 B13R1.158 CC(C)CNCc1ncccc1Br 2230a_100000210953_100025702911 [0,2,0,0,0,0|1,0,0]=3 30208 B13R1.158 CC(C)CNCc1ncccc1Br 270004a_100000210953_100011934733 [0,2,0,0,0,0|1,0,0]=3 30209 B13R1.158 CC(C)CNCc1ncccc1Br 270004a_100020591323_100000210432 [0,2,0,0,0,0|1,0,0]=3 30210 B13R1.158 CC(C)CNCc1ncccc1Br 34a_100000210953_100025702911 [0,2,0,0,0,0|1,0,0]=3 30211 B13R1.158 CC(C)CNCc1ncccc1Cl 207a_100000210953_100012001307 [0,2,0,0,0,0|1,0,0]=3 30212 B13R1.158 CC(C)CNCc1ncccc1Cl 2230a_100000210953_100000099807 [0,2,0,0,0,0|1,0,0]=3 30213 B13R1.158 CC(C)CNCc1ncccc1Cl 2230a_100015189233_100000210760 [0,2,0,0,0,0|1,0,0]=3 30214 B13R1.158 CC(C)CNCc1ncccc1Cl 270004a_100000210953_100012001307 [0,2,0,0,0,0|1,0,0]=3 30215 B13R1.158 CC(C)CNCc1ncccc1Cl 270004a_100015189233_100000210432 [0,2,0,0,0,0|1,0,0]=3 30216 B13R1.158 CC(C)CNCc1ncccc1F 207a_100000210953_100011934734 [0,2,0,0,0,0|1,0,0]=3 30217 B13R1.158 CC(C)CNCc1ncccc1F 2230a_100000210953_100000104219 [0,2,0,0,0,0|1,0,0]=3 30218 B13R1.158 CC(C)CNCc1ncccc1F 270004a_100000210953_100011934734 [0,2,0,0,0,0|1,0,0]=3 30219 B13R1.158 CC(C)CNCc1ncccc1F 270004a_100000690088_100000210432 [0,2,0,0,0,0|1,0,0]=3 30220 B13R1.158 CC(C)CNCc1ncccc1F 34a_100000210953_100000104219 [0,2,0,0,0,0|1,0,0]=3 30221 B13R1.158 CC(C)CNCc1ncccc1F 34a_100000690088_100000210624 [0,2,0,0,0,0|1,0,0]=3 30222 B13R1.158 CC(C)CNCc1ncccc1O 34a_100000210953_200020655725 [0,2,0,0,0,0|1,0,0]=3 30223 B13R1.158 CC(C)CNCc1nccnc1Cl 2230a_100000729963_100000210760 [0,2,0,0,0,0|2,0,0]=4 30224 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000210257_100000184730 [0,2,0,0,0,0|2,0,0]=4 30225 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000756307_100000210624 [0,2,0,0,0,0|2,0,0]=4 30226 B13R1.158 CC(C)COCc1ccccc1Br 7a_100000756307_100000210760 [0,2,0,0,0,0|2,0,0]=4 30227 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210257_100000187162 [0,2,0,0,0,0|2,0,0]=4 30228 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210847_100000210624 [0,2,0,0,0,0|2,0,0]=4 30229 B13R1.158 CC(C)COCc1ccccc1Cl 7a_100000210847_100000210760 [0,2,0,0,0,0|2,0,0]=4 30230 B13R1.158 CC(C)COCc1ccccc1F 34a_100000210257_100000211605 [0,2,0,0,0,0|2,0,0]=4 30231 B13R1.158 CC(C)COCc1ccccc1F 34a_100000211962_100000210624 [0,2,0,0,0,0|2,0,0]=4 30232 B13R1.158 CC(C)COCc1ccccc1F 7a_100000211962_100000210760 [0,2,0,0,0,0|2,0,0]=4 30233 B13R1.158 CC(C)COCc1ccccc1I 34a_100000187465_100000210624 [0,2,0,0,0,0|2,0,0]=4 30234 B13R1.158 CC(C)COCc1ccccc1I 34a_100000210257_100011215278 [0,2,0,0,0,0|2,0,0]=4 30235 B13R1.158 CC(C)COCc1ccccc1I 7a_100000187465_100000210760 [0,2,0,0,0,0|2,0,0]=4 30236 B13R1.158 CC(C)COCc1ccccc1N 34a_100000212039_100000210624 [0,2,0,0,0,0|2,0,0]=4 30237 B13R1.158 CC(C)COCc1ncccc1Br 34a_100000210257_100025702911 [0,2,0,0,0,0|1,0,0]=3 30238 B13R1.158 CC(C)COCc1ncccc1Br 34a_100011996772_100000210624 [0,2,0,0,0,0|1,0,0]=3 30239 B13R1.158 CC(C)COCc1ncccc1Cl 34a_100012002383_100000210624 [0,2,0,0,0,0|1,0,0]=3 30240 B13R1.158 CC(C)COCc1ncccc1F 34a_100000210257_100000104219 [0,2,0,0,0,0|1,0,0]=3 30241 B13R1.158 CC(C)COCc1ncccc1F 34a_100011934865_100000210624 [0,2,0,0,0,0|1,0,0]=3 30242 B13R1.158 CC(C)COCc1ncccc1N 34a_114873767017_100000210624 [0,2,0,0,0,0|1,0,0]=3 30243 B13R1.158 CC(C)COCc1ncccc1O 34a_100000210257_200020655725 [0,2,0,0,0,0|1,0,0]=3 30244 B13R1.158 CC(C)COCc1nccnc1Cl 34a_100000057004_100000210624 [0,2,0,0,0,0|2,0,0]=4 30245 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000184730_100000210760 [0,2,0,0,0,0|2,0,0]=4 30246 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000210624_100000184730 [0,2,0,0,0,0|2,0,0]=4 30247 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000187162_100000210760 [0,2,0,0,0,0|2,0,0]=4 30248 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000210624_100000187162 [0,2,0,0,0,0|2,0,0]=4 30249 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000210624_100000211605 [0,2,0,0,0,0|2,0,0]=4 30250 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000211605_100000210760 [0,2,0,0,0,0|2,0,0]=4 30251 B13R1.158 CC(C)CSCc1ccccc1I 62a_100000210624_100011216222 [0,2,0,0,0,0|2,0,0]=4 30252 B13R1.158 CC(C)CSCc1ccccc1I 62a_100011216222_100000210760 [0,2,0,0,0,0|2,0,0]=4 30253 B13R1.158 CC(C)CSCc1ncccc1Br 62a_100000210624_100025702911 [0,2,0,0,0,0|1,0,0]=3 30254 B13R1.158 CC(C)CSCc1ncccc1Br 62a_100025702911_100000210760 [0,2,0,0,0,0|1,0,0]=3 30255 B13R1.158 CC(C)CSCc1ncccc1Cl 62a_100000099807_100000210760 [0,2,0,0,0,0|1,0,0]=3 30256 B13R1.158 CC(C)CSCc1ncccc1Cl 62a_100000210624_100000099807 [0,2,0,0,0,0|1,0,0]=3 30257 B13R1.158 CC(C)CSCc1ncccc1F 62a_100000104219_100000210760 [0,2,0,0,0,0|1,0,0]=3 30258 B13R1.158 CC(C)CSCc1ncccc1F 62a_100000210624_100000104219 [0,2,0,0,0,0|1,0,0]=3 30259 B13R1.158 CC(C)CSCc1ncccc1O 62a_100000210624_200020655725 [0,2,0,0,0,0|1,0,0]=3 30260 B13R1.158 CC(C)CSCc1ncccc1O 62a_200020655725_100000210760 [0,2,0,0,0,0|1,0,0]=3 30261 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100000747383_100000210206 [0,2,0,0,0,0|2,0,0]=4 30262 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100138425928_100012161201 [0,2,0,0,0,0|2,0,0]=4 30263 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100000747383_100000210206 [0,2,0,0,0,0|2,0,0]=4 30264 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100138425928_100012161201 [0,2,0,0,0,0|2,0,0]=4 30265 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100011207228_100000210206 [0,2,0,0,0,0|2,0,0]=4 30266 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100138425928_100011713703 [0,2,0,0,0,0|2,0,0]=4 30267 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100011207228_100000210206 [0,2,0,0,0,0|2,0,0]=4 30268 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100138425928_100011713703 [0,2,0,0,0,0|2,0,0]=4 30269 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100000185272_100000210206 [0,2,0,0,0,0|2,0,0]=4 30270 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100138425928_100011713696 [0,2,0,0,0,0|2,0,0]=4 30271 B13R1.158 CC(C)NCCc1ccccc1F 34a_100000185272_100000210206 [0,2,0,0,0,0|2,0,0]=4 30272 B13R1.158 CC(C)NCCc1ccccc1F 34a_100138425928_100000720011 [0,2,0,0,0,0|2,0,0]=4 30273 B13R1.158 CC(C)NCCc1ccccc1O 34a_100011207237_100000210206 [0,2,0,0,0,0|2,0,0]=4 30274 B13R1.158 CC(C)NCCc1ccccc1O 34a_100138425928_100000722297 [0,2,0,0,0,0|2,0,0]=4 30275 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000212225_100012161201 [0,2,0,0,0,0|2,0,0]=4 30276 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000731337_100000210206 [0,2,0,0,0,0|2,0,0]=4 30277 B13R1.158 CC(C)OCCc1ccccc1Br 7a_100000731337_100000210206 [0,2,0,0,0,0|2,0,0]=4 30278 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100000212225_100011713703 [0,2,0,0,0,0|2,0,0]=4 30279 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100011215284_100000210206 [0,2,0,0,0,0|2,0,0]=4 30280 B13R1.158 CC(C)OCCc1ccccc1Cl 7a_100011215284_100000210206 [0,2,0,0,0,0|2,0,0]=4 30281 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000212225_100000720011 [0,2,0,0,0,0|2,0,0]=4 30282 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000753711_100000210206 [0,2,0,0,0,0|2,0,0]=4 30283 B13R1.158 CC(C)OCCc1ccccc1F 7a_100000753711_100000210206 [0,2,0,0,0,0|2,0,0]=4 30284 B13R1.158 CC(C)OCCc1ccccc1I 34a_100010255290_100000210206 [0,2,0,0,0,0|2,0,0]=4 30285 B13R1.158 CC(C)OCCc1ccccc1I 7a_100010255290_100000210206 [0,2,0,0,0,0|2,0,0]=4 30286 B13R1.158 CC(C)OCCc1ccccc1N 34a_100011215289_100000210206 [0,2,0,0,0,0|2,0,0]=4 30287 B13R1.158 CC(C)OCCc1ccccc1O 34a_100000212225_100000722297 [0,2,0,0,0,0|2,0,0]=4 30288 B13R1.158 CC(C)OCOc1ncccc1Cl 34a_100011290957_100000709892 [0,2,0,0,0,0|2,0,0]=4 30289 B13R1.158 CC(C)OCOc1ncccc1F 34a_100011219419_100000709892 [0,2,0,0,0,0|2,0,0]=4 30290 B13R1.158 CC(C)OCOc1ncccc1N 34a_100000746358_100000709892 [0,2,0,0,0,0|2,0,0]=4 30291 B13R1.158 CC(C)OCSc1ncccc1Br 62a_100000696092_100000709892 [0,2,0,0,0,0|2,0,0]=4 30292 B13R1.158 CC(C)OCSc1ncccc1Br 62a_100000709892_100000696092 [0,2,0,0,0,0|2,0,0]=4 30293 B13R1.158 CC(C)OCSc1ncccc1Cl 62a_100000709892_100011356963 [0,2,0,0,0,0|2,0,0]=4 30294 B13R1.158 CC(C)OCSc1ncccc1Cl 62a_100011356963_100000709892 [0,2,0,0,0,0|2,0,0]=4 30295 B13R1.158 CC(C)OCSc1ncccc1F 62a_100000685392_100000709892 [0,2,0,0,0,0|2,0,0]=4 30296 B13R1.158 CC(C)OCSc1ncccc1F 62a_100000709892_100000685392 [0,2,0,0,0,0|2,0,0]=4 30297 B13R1.158 CC(C)OCSc1ncccc1N 62a_100000688686_100000709892 [0,2,0,0,0,0|2,0,0]=4 30298 B13R1.158 CC(C)OCSc1ncccc1N 62a_100000709892_100000688686 [0,2,0,0,0,0|2,0,0]=4 30299 B13R1.158 CC(C)OCSc1ncccc1O 62a_100000034122_100000709892 [0,2,0,0,0,0|2,0,0]=4 30300 B13R1.158 CC(C)OCSc1ncccc1O 62a_100000709892_100000034122 [0,2,0,0,0,0|2,0,0]=4 30301 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100000210206_100012161201 [0,2,0,0,0,0|2,0,0]=4 30302 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100012161201_100000210206 [0,2,0,0,0,0|2,0,0]=4 30303 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100000210206_100011713703 [0,2,0,0,0,0|2,0,0]=4 30304 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100011713703_100000210206 [0,2,0,0,0,0|2,0,0]=4 30305 B13R1.158 CC(C)SCCc1ccccc1F 62a_100000210206_100011713696 [0,2,0,0,0,0|2,0,0]=4 30306 B13R1.158 CC(C)SCCc1ccccc1F 62a_100011713696_100000210206 [0,2,0,0,0,0|2,0,0]=4 30307 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000210206_100000722297 [0,2,0,0,0,0|2,0,0]=4 30308 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000722297_100000210206 [0,2,0,0,0,0|2,0,0]=4 30309 B13R1.158 CC(F)COCc1ccccc1Br 34a_100015925927_100000184730 [0,2,0,0,0,0|2,0,0]=4 30310 B13R1.158 CC(F)COCc1ccccc1Cl 34a_100015925927_100000187162 [0,2,0,0,0,0|2,0,0]=4 30311 B13R1.158 CC(F)COCc1ccccc1F 34a_100015925927_100000211605 [0,2,0,0,0,0|2,0,0]=4 30312 B13R1.158 CC(F)COCc1ccccc1I 34a_100015925927_100011215278 [0,2,0,0,0,0|2,0,0]=4 30313 B13R1.158 CC(F)COCc1ncccc1Br 34a_100015925927_100025702911 [0,2,0,0,0,0|1,0,0]=3 30314 B13R1.158 CC(F)COCc1ncccc1F 34a_100015925927_100000104219 [0,2,0,0,0,0|1,0,0]=3 30315 B13R1.158 CC(F)COCc1ncccc1O 34a_100015925927_200020655725 [0,2,0,0,0,0|1,0,0]=3 30316 B13R1.158 CC(O)CCNc1ccccc1Br 34a_100000210017_100012276601 [0,2,0,0,0,0|2,0,0]=4 30317 B13R1.158 CC(O)CCNc1ccccc1Cl 34a_100000185783_100012276601 [0,2,0,0,0,0|2,0,0]=4 30318 B13R1.158 CC(O)CCNc1ccccc1F 34a_100000210422_100012276601 [0,2,0,0,0,0|2,0,0]=4 30319 B13R1.158 CC(O)CCNc1ccccc1I 34a_100000210053_100012276601 [0,2,0,0,0,0|2,0,0]=4 30320 B13R1.158 CC(O)CCNc1ccccc1O 34a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 30321 B13R1.158 CC(O)CCNc1ncccc1Br 27a_200000755665_100000696092 [0,2,0,0,0,0|1,0,0]=3 30322 B13R1.158 CC(O)CCNc1nccnc1F 27a_200000755665_200010125657 [0,2,0,0,0,0|2,0,0]=4 30323 B13R1.158 CC(O)CCNc1ncncc1F 27a_200000755665_100000069762 [0,2,0,0,0,0|2,0,0]=4 30324 B13R1.158 CC(O)CCNc1ncncc1N 27a_200000755665_100000709731 [0,2,0,0,0,0|2,0,0]=4 30325 B13R1.158 CC(O)CCOc1cccc[n+]1[O-] 7a_100000211761_100012276601 [0,2,0,0,0,0|1,0,1]=4 30326 B13R1.158 CC(O)CCOc1ccccc1Br 34a_100000181306_100012276601 [0,2,0,0,0,0|2,0,0]=4 30327 B13R1.158 CC(O)CCOc1ccccc1Br 7a_100000181306_100012276601 [0,2,0,0,0,0|2,0,0]=4 30328 B13R1.158 CC(O)CCOc1ccccc1Cl 34a_100000210172_100012276601 [0,2,0,0,0,0|2,0,0]=4 30329 B13R1.158 CC(O)CCOc1ccccc1Cl 7a_100000210172_100012276601 [0,2,0,0,0,0|2,0,0]=4 30330 B13R1.158 CC(O)CCOc1ccccc1F 34a_100000210171_100012276601 [0,2,0,0,0,0|2,0,0]=4 30331 B13R1.158 CC(O)CCOc1ccccc1F 7a_100000210171_100012276601 [0,2,0,0,0,0|2,0,0]=4 30332 B13R1.158 CC(O)CCOc1ccccc1I 34a_100000739446_100012276601 [0,2,0,0,0,0|2,0,0]=4 30333 B13R1.158 CC(O)CCOc1ccccc1I 7a_100000739446_100012276601 [0,2,0,0,0,0|2,0,0]=4 30334 B13R1.158 CC(O)CCOc1ccccc1N 34a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 30335 B13R1.158 CC(O)CCOc1ccccc1N 7a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 30336 B13R1.158 CC(O)CCOc1ncccc1Cl 34a_100011290957_100012276601 [0,2,0,0,0,0|1,0,0]=3 30337 B13R1.158 CC(O)CCOc1ncccc1F 34a_100011219419_100012276601 [0,2,0,0,0,0|1,0,0]=3 30338 B13R1.158 CC(O)CCOc1ncccc1N 34a_100000746358_100012276601 [0,2,0,0,0,0|1,0,0]=3 30339 B13R1.158 CC(O)CCSc1cccc[n+]1C 62a_100012276601_100000212160 [0,2,0,0,0,0|1,0,1]=4 30340 B13R1.158 CC(O)CCSc1cccc[n+]1[O-] 62a_100012276601_200000042595 [0,2,0,0,0,0|1,0,1]=4 30341 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100000695589_100012276601 [0,2,0,0,0,0|2,0,0]=4 30342 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100012276601_100000695589 [0,2,0,0,0,0|2,0,0]=4 30343 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100000764095_100012276601 [0,2,0,0,0,0|2,0,0]=4 30344 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100012276601_100000764095 [0,2,0,0,0,0|2,0,0]=4 30345 B13R1.158 CC(O)CCSc1ccccc1F 62a_100011215700_100012276601 [0,2,0,0,0,0|2,0,0]=4 30346 B13R1.158 CC(O)CCSc1ccccc1F 62a_100012276601_100011215700 [0,2,0,0,0,0|2,0,0]=4 30347 B13R1.158 CC(O)CCSc1ccccc1N 62a_100000210017_100012276601 [0,2,0,0,0,0|2,0,0]=4 30348 B13R1.158 CC(O)CCSc1ccccc1N 62a_100012276601_100000210017 [0,2,0,0,0,0|2,0,0]=4 30349 B13R1.158 CC(O)CCSc1ccccc1O 62a_100000739446_100012276601 [0,2,0,0,0,0|2,0,0]=4 30350 B13R1.158 CC(O)CCSc1ccccc1O 62a_100012276601_100000739446 [0,2,0,0,0,0|2,0,0]=4 30351 B13R1.158 CC(O)CCSc1ncc[nH]c1=O 62a_100012276601_100000763361 [0,2,0,0,0,0|2,0,0]=4 30352 B13R1.158 CC(O)CCSc1ncccc1Br 62a_100000696092_100012276601 [0,2,0,0,0,0|1,0,0]=3 30353 B13R1.158 CC(O)CCSc1ncccc1Br 62a_100012276601_100000696092 [0,2,0,0,0,0|1,0,0]=3 30354 B13R1.158 CC(O)CCSc1ncccc1Cl 62a_100011356963_100012276601 [0,2,0,0,0,0|1,0,0]=3 30355 B13R1.158 CC(O)CCSc1ncccc1Cl 62a_100012276601_100011356963 [0,2,0,0,0,0|1,0,0]=3 30356 B13R1.158 CC(O)CCSc1ncccc1F 62a_100000685392_100012276601 [0,2,0,0,0,0|1,0,0]=3 30357 B13R1.158 CC(O)CCSc1ncccc1F 62a_100012276601_100000685392 [0,2,0,0,0,0|1,0,0]=3 30358 B13R1.158 CC(O)CCSc1ncccc1N 62a_100000688686_100012276601 [0,2,0,0,0,0|1,0,0]=3 30359 B13R1.158 CC(O)CCSc1ncccc1N 62a_100012276601_100000688686 [0,2,0,0,0,0|1,0,0]=3 30360 B13R1.158 CC(O)CCSc1ncccc1O 62a_100000034122_100012276601 [0,2,0,0,0,0|1,0,0]=3 30361 B13R1.158 CC(O)CCSc1ncccc1O 62a_100012276601_100000034122 [0,2,0,0,0,0|1,0,0]=3 30362 B13R1.158 CC(O)CCSc1nccnc1Cl 62a_100010886584_100012276601 [0,2,0,0,0,0|2,0,0]=4 30363 B13R1.158 CC(O)CCSc1nccnc1Cl 62a_100012276601_100010886584 [0,2,0,0,0,0|2,0,0]=4 30364 B13R1.158 CC(O)CCSc1nccnc1F 62a_100012276601_200010125657 [0,2,0,0,0,0|2,0,0]=4 30365 B13R1.158 CC(O)CCSc1nccnc1F 62a_200010125657_100012276601 [0,2,0,0,0,0|2,0,0]=4 30366 B13R1.158 CC(O)CCSc1nccnc1N 62a_100000747729_100012276601 [0,2,0,0,0,0|2,0,0]=4 30367 B13R1.158 CC(O)CCSc1nccnc1N 62a_100012276601_100000747729 [0,2,0,0,0,0|2,0,0]=4 30368 B13R1.158 CC(O)CCSc1ncncc1F 62a_100000069762_100012276601 [0,2,0,0,0,0|2,0,0]=4 30369 B13R1.158 CC(O)CCSc1ncncc1F 62a_100012276601_100000069762 [0,2,0,0,0,0|2,0,0]=4 30370 B13R1.158 CC(O)CCSc1ncncc1N 62a_100000709731_100012276601 [0,2,0,0,0,0|2,0,0]=4 30371 B13R1.158 CC(O)CCSc1ncncc1N 62a_100012276601_100000709731 [0,2,0,0,0,0|2,0,0]=4 30372 B13R1.158 CC(O)CNCc1ccccc1Br 207a_100000210904_100000211189 [0,2,0,0,0,0|2,0,0]=4 30373 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000210904_100000184730 [0,2,0,0,0,0|2,0,0]=4 30374 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000689332_100011218427 [0,2,0,0,0,0|2,0,0]=4 30375 B13R1.158 CC(O)CNCc1ccccc1Br 270004a_100000210904_100000211189 [0,2,0,0,0,0|2,0,0]=4 30376 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000210904_100000184730 [0,2,0,0,0,0|2,0,0]=4 30377 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000689332_100011218427 [0,2,0,0,0,0|2,0,0]=4 30378 B13R1.158 CC(O)CNCc1ccccc1Cl 207a_100000210904_100000210073 [0,2,0,0,0,0|2,0,0]=4 30379 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000174879_100011218427 [0,2,0,0,0,0|2,0,0]=4 30380 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000210904_100000187162 [0,2,0,0,0,0|2,0,0]=4 30381 B13R1.158 CC(O)CNCc1ccccc1Cl 270004a_100000210904_100000210073 [0,2,0,0,0,0|2,0,0]=4 30382 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000174879_100011218427 [0,2,0,0,0,0|2,0,0]=4 30383 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000210904_100000187162 [0,2,0,0,0,0|2,0,0]=4 30384 B13R1.158 CC(O)CNCc1ccccc1F 207a_100000210904_100000210811 [0,2,0,0,0,0|2,0,0]=4 30385 B13R1.158 CC(O)CNCc1ccccc1F 2230a_100000210904_100000211605 [0,2,0,0,0,0|2,0,0]=4 30386 B13R1.158 CC(O)CNCc1ccccc1F 270004a_100000210904_100000210811 [0,2,0,0,0,0|2,0,0]=4 30387 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000174869_100011218427 [0,2,0,0,0,0|2,0,0]=4 30388 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000210904_100000211605 [0,2,0,0,0,0|2,0,0]=4 30389 B13R1.158 CC(O)CNCc1ccccc1I 207a_100000210904_100000010305 [0,2,0,0,0,0|2,0,0]=4 30390 B13R1.158 CC(O)CNCc1ccccc1I 2230a_100000210904_100011215278 [0,2,0,0,0,0|2,0,0]=4 30391 B13R1.158 CC(O)CNCc1ccccc1I 270004a_100000210904_100000010305 [0,2,0,0,0,0|2,0,0]=4 30392 B13R1.158 CC(O)CNCc1ccccc1I 34a_100000210904_100011215278 [0,2,0,0,0,0|2,0,0]=4 30393 B13R1.158 CC(O)CNCc1ccccc1O 34a_100000185550_100011218427 [0,2,0,0,0,0|2,0,0]=4 30394 B13R1.158 CC(O)CNCc1ncccc1Br 207a_100000210904_100011934733 [0,2,0,0,0,0|1,0,0]=3 30395 B13R1.158 CC(O)CNCc1ncccc1Br 2230a_100000210904_100025702911 [0,2,0,0,0,0|1,0,0]=3 30396 B13R1.158 CC(O)CNCc1ncccc1Br 270004a_100000210904_100011934733 [0,2,0,0,0,0|1,0,0]=3 30397 B13R1.158 CC(O)CNCc1ncccc1Br 34a_100000210904_100025702911 [0,2,0,0,0,0|1,0,0]=3 30398 B13R1.158 CC(O)CNCc1ncccc1Cl 207a_100000210904_100012001307 [0,2,0,0,0,0|1,0,0]=3 30399 B13R1.158 CC(O)CNCc1ncccc1Cl 2230a_100000210904_100000099807 [0,2,0,0,0,0|1,0,0]=3 30400 B13R1.158 CC(O)CNCc1ncccc1Cl 2230a_100015189233_100011218427 [0,2,0,0,0,0|1,0,0]=3 30401 B13R1.158 CC(O)CNCc1ncccc1Cl 270004a_100000210904_100012001307 [0,2,0,0,0,0|1,0,0]=3 30402 B13R1.158 CC(O)CNCc1ncccc1F 207a_100000210904_100011934734 [0,2,0,0,0,0|1,0,0]=3 30403 B13R1.158 CC(O)CNCc1ncccc1F 2230a_100000210904_100000104219 [0,2,0,0,0,0|1,0,0]=3 30404 B13R1.158 CC(O)CNCc1ncccc1F 270004a_100000210904_100011934734 [0,2,0,0,0,0|1,0,0]=3 30405 B13R1.158 CC(O)CNCc1ncccc1F 34a_100000210904_100000104219 [0,2,0,0,0,0|1,0,0]=3 30406 B13R1.158 CC(O)CNCc1ncccc1F 34a_100000690088_100011218427 [0,2,0,0,0,0|1,0,0]=3 30407 B13R1.158 CC(O)CNCc1ncccc1O 34a_100000210904_200020655725 [0,2,0,0,0,0|1,0,0]=3 30408 B13R1.158 CC(O)CNCc1nccnc1Cl 2230a_100000729963_100011218427 [0,2,0,0,0,0|2,0,0]=4 30409 B13R1.158 CC(O)COCc1ccccc1Br 34a_100000756307_100011218427 [0,2,0,0,0,0|2,0,0]=4 30410 B13R1.158 CC(O)COCc1ccccc1Br 7a_100000756307_100011218427 [0,2,0,0,0,0|2,0,0]=4 30411 B13R1.158 CC(O)COCc1ccccc1Cl 34a_100000210847_100011218427 [0,2,0,0,0,0|2,0,0]=4 30412 B13R1.158 CC(O)COCc1ccccc1Cl 7a_100000210847_100011218427 [0,2,0,0,0,0|2,0,0]=4 30413 B13R1.158 CC(O)COCc1ccccc1F 34a_100000211962_100011218427 [0,2,0,0,0,0|2,0,0]=4 30414 B13R1.158 CC(O)COCc1ccccc1F 7a_100000211962_100011218427 [0,2,0,0,0,0|2,0,0]=4 30415 B13R1.158 CC(O)COCc1ccccc1I 34a_100000187465_100011218427 [0,2,0,0,0,0|2,0,0]=4 30416 B13R1.158 CC(O)COCc1ccccc1I 7a_100000187465_100011218427 [0,2,0,0,0,0|2,0,0]=4 30417 B13R1.158 CC(O)COCc1ccccc1N 34a_100000212039_100011218427 [0,2,0,0,0,0|2,0,0]=4 30418 B13R1.158 CC(O)COCc1ncccc1Br 34a_100011996772_100011218427 [0,2,0,0,0,0|1,0,0]=3 30419 B13R1.158 CC(O)COCc1ncccc1Cl 34a_100012002383_100011218427 [0,2,0,0,0,0|1,0,0]=3 30420 B13R1.158 CC(O)COCc1ncccc1F 34a_100011934865_100011218427 [0,2,0,0,0,0|1,0,0]=3 30421 B13R1.158 CC(O)COCc1ncccc1N 34a_114873767017_100011218427 [0,2,0,0,0,0|1,0,0]=3 30422 B13R1.158 CC(O)COCc1nccnc1Cl 34a_100000057004_100011218427 [0,2,0,0,0,0|2,0,0]=4 30423 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100000184730_100011218427 [0,2,0,0,0,0|2,0,0]=4 30424 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100011218427_100000184730 [0,2,0,0,0,0|2,0,0]=4 30425 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100000187162_100011218427 [0,2,0,0,0,0|2,0,0]=4 30426 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100011218427_100000187162 [0,2,0,0,0,0|2,0,0]=4 30427 B13R1.158 CC(O)CSCc1ccccc1F 62a_100000211605_100011218427 [0,2,0,0,0,0|2,0,0]=4 30428 B13R1.158 CC(O)CSCc1ccccc1F 62a_100011218427_100000211605 [0,2,0,0,0,0|2,0,0]=4 30429 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011216222_100011218427 [0,2,0,0,0,0|2,0,0]=4 30430 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011218427_100011216222 [0,2,0,0,0,0|2,0,0]=4 30431 B13R1.158 CC(O)CSCc1ncccc1Br 62a_100011218427_100025702911 [0,2,0,0,0,0|1,0,0]=3 30432 B13R1.158 CC(O)CSCc1ncccc1Br 62a_100025702911_100011218427 [0,2,0,0,0,0|1,0,0]=3 30433 B13R1.158 CC(O)CSCc1ncccc1Cl 62a_100000099807_100011218427 [0,2,0,0,0,0|1,0,0]=3 30434 B13R1.158 CC(O)CSCc1ncccc1Cl 62a_100011218427_100000099807 [0,2,0,0,0,0|1,0,0]=3 30435 B13R1.158 CC(O)CSCc1ncccc1F 62a_100000104219_100011218427 [0,2,0,0,0,0|1,0,0]=3 30436 B13R1.158 CC(O)CSCc1ncccc1F 62a_100011218427_100000104219 [0,2,0,0,0,0|1,0,0]=3 30437 B13R1.158 CC(O)CSCc1ncccc1O 62a_100011218427_200020655725 [0,2,0,0,0,0|1,0,0]=3 30438 B13R1.158 CC(O)CSCc1ncccc1O 62a_200020655725_100011218427 [0,2,0,0,0,0|1,0,0]=3 30439 B13R1.158 CN(C)CCCc1ccccc1Br 2230a_100102631434_200011713681 [0,2,0,0,0,0|2,0,0]=4 30440 B13R1.158 CN(C)CCCc1ccccc1Br 269982a_100102631434_200011713681 [0,2,0,0,0,0|2,0,0]=4 30441 B13R1.158 CN(C)CCNc1ncccc1Br 27a_100000210585_100000696092 [0,2,0,0,0,0|2,0,0]=4 30442 B13R1.158 CN(C)CCSc1ncccc1Br 62a_100000696092_100000755713 [0,2,0,0,0,0|2,0,0]=4 30443 B13R1.158 CN(C)CCSc1ncccc1Cl 62a_100011356963_100000755713 [0,2,0,0,0,0|2,0,0]=4 30444 B13R1.158 CN(C)CCSc1ncccc1F 62a_100000685392_100000755713 [0,2,0,0,0,0|2,0,0]=4 30445 B13R1.158 CN(C)CCSc1ncccc1N 62a_100000688686_100000755713 [0,2,0,0,0,0|2,0,0]=4 30446 B13R1.158 CN(C)CCSc1ncccc1O 62a_100000034122_100000755713 [0,2,0,0,0,0|2,0,0]=4 30447 B13R1.158 C[C@@H](Cl)COCc1ccccc1Br 34a_100016084084_100000184730 [0,2,0,0,0,0|2,0,0]=4 30448 B13R1.158 C[C@@H](Cl)COCc1ccccc1Cl 34a_100016084084_100000187162 [0,2,0,0,0,0|2,0,0]=4 30449 B13R1.158 C[C@@H](Cl)COCc1ccccc1F 34a_100016084084_100000211605 [0,2,0,0,0,0|2,0,0]=4 30450 B13R1.158 C[C@@H](Cl)COCc1ccccc1I 34a_100016084084_100011215278 [0,2,0,0,0,0|2,0,0]=4 30451 B13R1.158 C[C@@H](Cl)COCc1ncccc1Br 34a_100016084084_100025702911 [0,2,0,0,0,0|1,0,0]=3 30452 B13R1.158 C[C@@H](Cl)COCc1ncccc1F 34a_100016084084_100000104219 [0,2,0,0,0,0|1,0,0]=3 30453 B13R1.158 C[C@@H](Cl)COCc1ncccc1O 34a_100016084084_200020655725 [0,2,0,0,0,0|1,0,0]=3 30454 B13R1.158 C[C@@H](N)COCc1ccccc1Br 34a_100000737577_100000184730 [0,2,0,0,0,0|2,0,0]=4 30455 B13R1.158 C[C@@H](N)COCc1ccccc1Cl 34a_100000737577_100000187162 [0,2,0,0,0,0|2,0,0]=4 30456 B13R1.158 C[C@@H](N)COCc1ccccc1F 34a_100000737577_100000211605 [0,2,0,0,0,0|2,0,0]=4 30457 B13R1.158 C[C@@H](N)COCc1ccccc1I 34a_100000737577_100011215278 [0,2,0,0,0,0|2,0,0]=4 30458 B13R1.158 C[C@@H](N)COCc1ncccc1Br 34a_100000737577_100025702911 [0,2,0,0,0,0|1,0,0]=3 30459 B13R1.158 C[C@@H](N)COCc1ncccc1F 34a_100000737577_100000104219 [0,2,0,0,0,0|1,0,0]=3 30460 B13R1.158 C[C@@H](N)COCc1ncccc1O 34a_100000737577_200020655725 [0,2,0,0,0,0|1,0,0]=3 30461 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 2230a_100000689332_100009817552 [0,2,0,0,0,0|2,0,0]=4 30462 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 34a_100000689332_100009817552 [0,2,0,0,0,0|2,0,0]=4 30463 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 2230a_100000174879_100009817552 [0,2,0,0,0,0|2,0,0]=4 30464 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 34a_100000174879_100009817552 [0,2,0,0,0,0|2,0,0]=4 30465 B13R1.158 C[C@@H](O)CNCc1ccccc1F 34a_100000174869_100009817552 [0,2,0,0,0,0|2,0,0]=4 30466 B13R1.158 C[C@@H](O)CNCc1ccccc1O 34a_100000185550_100009817552 [0,2,0,0,0,0|2,0,0]=4 30467 B13R1.158 C[C@@H](O)CNCc1ncccc1Cl 2230a_100015189233_100009817552 [0,2,0,0,0,0|1,0,0]=3 30468 B13R1.158 C[C@@H](O)CNCc1ncccc1F 34a_100000690088_100009817552 [0,2,0,0,0,0|1,0,0]=3 30469 B13R1.158 C[C@@H](O)CNCc1nccnc1Cl 2230a_100000729963_100009817552 [0,2,0,0,0,0|2,0,0]=4 30470 B13R1.158 C[C@@H](O)COCc1ccccc1Br 34a_100000756307_100009817552 [0,2,0,0,0,0|2,0,0]=4 30471 B13R1.158 C[C@@H](O)COCc1ccccc1Br 7a_100000756307_100009817552 [0,2,0,0,0,0|2,0,0]=4 30472 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 34a_100000210847_100009817552 [0,2,0,0,0,0|2,0,0]=4 30473 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 7a_100000210847_100009817552 [0,2,0,0,0,0|2,0,0]=4 30474 B13R1.158 C[C@@H](O)COCc1ccccc1F 34a_100000211962_100009817552 [0,2,0,0,0,0|2,0,0]=4 30475 B13R1.158 C[C@@H](O)COCc1ccccc1F 7a_100000211962_100009817552 [0,2,0,0,0,0|2,0,0]=4 30476 B13R1.158 C[C@@H](O)COCc1ccccc1I 34a_100000187465_100009817552 [0,2,0,0,0,0|2,0,0]=4 30477 B13R1.158 C[C@@H](O)COCc1ccccc1I 7a_100000187465_100009817552 [0,2,0,0,0,0|2,0,0]=4 30478 B13R1.158 C[C@@H](O)COCc1ccccc1N 34a_100000212039_100009817552 [0,2,0,0,0,0|2,0,0]=4 30479 B13R1.158 C[C@@H](O)COCc1ncccc1Br 34a_100011996772_100009817552 [0,2,0,0,0,0|1,0,0]=3 30480 B13R1.158 C[C@@H](O)COCc1ncccc1Cl 34a_100012002383_100009817552 [0,2,0,0,0,0|1,0,0]=3 30481 B13R1.158 C[C@@H](O)COCc1ncccc1F 34a_100011934865_100009817552 [0,2,0,0,0,0|1,0,0]=3 30482 B13R1.158 C[C@@H](O)COCc1ncccc1N 34a_114873767017_100009817552 [0,2,0,0,0,0|1,0,0]=3 30483 B13R1.158 C[C@@H](O)COCc1nccnc1Cl 34a_100000057004_100009817552 [0,2,0,0,0,0|2,0,0]=4 30484 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100000184730_100009817552 [0,2,0,0,0,0|2,0,0]=4 30485 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100009817552_100000184730 [0,2,0,0,0,0|2,0,0]=4 30486 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100000187162_100009817552 [0,2,0,0,0,0|2,0,0]=4 30487 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100009817552_100000187162 [0,2,0,0,0,0|2,0,0]=4 30488 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100000211605_100009817552 [0,2,0,0,0,0|2,0,0]=4 30489 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100009817552_100000211605 [0,2,0,0,0,0|2,0,0]=4 30490 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100009817552_100011216222 [0,2,0,0,0,0|2,0,0]=4 30491 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100011216222_100009817552 [0,2,0,0,0,0|2,0,0]=4 30492 B13R1.158 C[C@@H](O)CSCc1ncccc1Br 62a_100009817552_100025702911 [0,2,0,0,0,0|1,0,0]=3 30493 B13R1.158 C[C@@H](O)CSCc1ncccc1Br 62a_100025702911_100009817552 [0,2,0,0,0,0|1,0,0]=3 30494 B13R1.158 C[C@@H](O)CSCc1ncccc1Cl 62a_100000099807_100009817552 [0,2,0,0,0,0|1,0,0]=3 30495 B13R1.158 C[C@@H](O)CSCc1ncccc1Cl 62a_100009817552_100000099807 [0,2,0,0,0,0|1,0,0]=3 30496 B13R1.158 C[C@@H](O)CSCc1ncccc1F 62a_100000104219_100009817552 [0,2,0,0,0,0|1,0,0]=3 30497 B13R1.158 C[C@@H](O)CSCc1ncccc1F 62a_100009817552_100000104219 [0,2,0,0,0,0|1,0,0]=3 30498 B13R1.158 C[C@@H](O)CSCc1ncccc1O 62a_100009817552_200020655725 [0,2,0,0,0,0|1,0,0]=3 30499 B13R1.158 C[C@@H](O)CSCc1ncccc1O 62a_200020655725_100009817552 [0,2,0,0,0,0|1,0,0]=3 30500 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100000685071_100000210206 [0,2,0,0,0,0|2,0,0]=4 30501 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100138425928_100011713688 [0,2,0,0,0,0|2,0,0]=4 30502 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100000685071_100000210206 [0,2,0,0,0,0|2,0,0]=4 30503 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100138425928_100011713688 [0,2,0,0,0,0|2,0,0]=4 30504 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100000212225_100011713688 [0,2,0,0,0,0|2,0,0]=4 30505 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100011220023_100000210206 [0,2,0,0,0,0|2,0,0]=4 30506 B13R1.158 Cc1ccccc1CCOC(C)C 7a_100011220023_100000210206 [0,2,0,0,0,0|2,0,0]=4 30507 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100000210206_100011713688 [0,2,0,0,0,0|2,0,0]=4 30508 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100011713688_100000210206 [0,2,0,0,0,0|2,0,0]=4 30509 B13R1.158 Cc1ccccc1CNCC(C)C 207a_100000210953_100000211143 [0,2,0,0,0,0|2,0,0]=4 30510 B13R1.158 Cc1ccccc1CNCC(C)C 2230a_100000210953_100000211839 [0,2,0,0,0,0|2,0,0]=4 30511 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000174972_100000210432 [0,2,0,0,0,0|2,0,0]=4 30512 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000210953_100000211143 [0,2,0,0,0,0|2,0,0]=4 30513 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000174972_100000210624 [0,2,0,0,0,0|2,0,0]=4 30514 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000210953_100000211839 [0,2,0,0,0,0|2,0,0]=4 30515 B13R1.158 Cc1ccccc1CNCC(C)O 207a_100000210904_100000211143 [0,2,0,0,0,0|2,0,0]=4 30516 B13R1.158 Cc1ccccc1CNCC(C)O 2230a_100000210904_100000211839 [0,2,0,0,0,0|2,0,0]=4 30517 B13R1.158 Cc1ccccc1CNCC(C)O 270004a_100000210904_100000211143 [0,2,0,0,0,0|2,0,0]=4 30518 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000174972_100011218427 [0,2,0,0,0,0|2,0,0]=4 30519 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000210904_100000211839 [0,2,0,0,0,0|2,0,0]=4 30520 B13R1.158 Cc1ccccc1CNC[C@@H](C)O 34a_100000174972_100009817552 [0,2,0,0,0,0|2,0,0]=4 30521 B13R1.158 Cc1ccccc1COCC(C)Br 34a_100012180447_100000211839 [0,2,0,0,0,0|2,0,0]=4 30522 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000210257_100000211839 [0,2,0,0,0,0|2,0,0]=4 30523 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000698903_100000210624 [0,2,0,0,0,0|2,0,0]=4 30524 B13R1.158 Cc1ccccc1COCC(C)C 7a_100000698903_100000210760 [0,2,0,0,0,0|2,0,0]=4 30525 B13R1.158 Cc1ccccc1COCC(C)F 34a_100015925927_100000211839 [0,2,0,0,0,0|2,0,0]=4 30526 B13R1.158 Cc1ccccc1COCC(C)O 34a_100000698903_100011218427 [0,2,0,0,0,0|2,0,0]=4 30527 B13R1.158 Cc1ccccc1COCC(C)O 7a_100000698903_100011218427 [0,2,0,0,0,0|2,0,0]=4 30528 B13R1.158 Cc1ccccc1COC[C@@H](C)Cl 34a_100016084084_100000211839 [0,2,0,0,0,0|2,0,0]=4 30529 B13R1.158 Cc1ccccc1COC[C@@H](C)N 34a_100000737577_100000211839 [0,2,0,0,0,0|2,0,0]=4 30530 B13R1.158 Cc1ccccc1COC[C@@H](C)O 34a_100000698903_100009817552 [0,2,0,0,0,0|2,0,0]=4 30531 B13R1.158 Cc1ccccc1COC[C@@H](C)O 7a_100000698903_100009817552 [0,2,0,0,0,0|2,0,0]=4 30532 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000210624_100000211839 [0,2,0,0,0,0|2,0,0]=4 30533 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000211839_100000210760 [0,2,0,0,0,0|2,0,0]=4 30534 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100000211839_100011218427 [0,2,0,0,0,0|2,0,0]=4 30535 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100011218427_100000211839 [0,2,0,0,0,0|2,0,0]=4 30536 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100000211839_100009817552 [0,2,0,0,0,0|2,0,0]=4 30537 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100009817552_100000211839 [0,2,0,0,0,0|2,0,0]=4 30538 B13R1.158 Cc1ccccc1NCCC(C)C 34a_100015192222_100000210312 [0,2,0,0,0,0|2,0,0]=4 30539 B13R1.158 Cc1ccccc1NCCC(C)O 34a_100015192222_100012276601 [0,2,0,0,0,0|2,0,0]=4 30540 B13R1.158 Cc1ccccc1OCCC(C)C 34a_100000210338_100000210312 [0,2,0,0,0,0|2,0,0]=4 30541 B13R1.158 Cc1ccccc1OCCC(C)C 7a_100000210338_100000210626 [0,2,0,0,0,0|2,0,0]=4 30542 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [0,2,0,0,0,0|2,0,0]=4 30543 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [0,2,0,0,0,0|2,0,0]=4 30544 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210312_100000210755 [0,2,0,0,0,0|2,0,0]=4 30545 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210755_100000210312 [0,2,0,0,0,0|2,0,0]=4 30546 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100000210755_100012276601 [0,2,0,0,0,0|2,0,0]=4 30547 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100012276601_100000210755 [0,2,0,0,0,0|2,0,0]=4 30548 B13R1.158 Cc1cccnc1C=CCC(C)C 271570a_100016259101_100000751373 [0,2,0,0,0,0|0,0,2]=4 30549 B13R1.158 Cc1cccnc1CCOC(C)C 34a_100011997706_100000210206 [0,2,0,0,0,0|1,0,0]=3 30550 B13R1.158 Cc1cccnc1CCOC(C)C 7a_100011997706_100000210206 [0,2,0,0,0,0|1,0,0]=3 30551 B13R1.158 Cc1cccnc1CNCC(C)C 207a_100000210953_100000698913 [0,2,0,0,0,0|1,0,0]=3 30552 B13R1.158 Cc1cccnc1CNCC(C)C 2230a_100000210953_100000696600 [0,2,0,0,0,0|1,0,0]=3 30553 B13R1.158 Cc1cccnc1CNCC(C)C 270004a_100000210953_100000698913 [0,2,0,0,0,0|1,0,0]=3 30554 B13R1.158 Cc1cccnc1CNCC(C)C 34a_100000210953_100000696600 [0,2,0,0,0,0|1,0,0]=3 30555 B13R1.158 Cc1cccnc1CNCC(C)C 34a_100011223789_100000210624 [0,2,0,0,0,0|1,0,0]=3 30556 B13R1.158 Cc1cccnc1CNCC(C)O 207a_100000210904_100000698913 [0,2,0,0,0,0|1,0,0]=3 30557 B13R1.158 Cc1cccnc1CNCC(C)O 2230a_100000210904_100000696600 [0,2,0,0,0,0|1,0,0]=3 30558 B13R1.158 Cc1cccnc1CNCC(C)O 270004a_100000210904_100000698913 [0,2,0,0,0,0|1,0,0]=3 30559 B13R1.158 Cc1cccnc1CNCC(C)O 34a_100000210904_100000696600 [0,2,0,0,0,0|1,0,0]=3 30560 B13R1.158 Cc1cccnc1CNCC(C)O 34a_100011223789_100011218427 [0,2,0,0,0,0|1,0,0]=3 30561 B13R1.158 Cc1cccnc1CNCC(F)F 207a_100000765723_100000698913 [0,2,0,0,0,0|2,0,0]=4 30562 B13R1.158 Cc1cccnc1CNCC(F)F 270004a_100000765723_100000698913 [0,2,0,0,0,0|2,0,0]=4 30563 B13R1.158 Cc1cccnc1CNCC(F)F 34a_100000765723_100000696600 [0,2,0,0,0,0|2,0,0]=4 30564 B13R1.158 Cc1cccnc1CNCC(F)F 34a_100011223789_100011934356 [0,2,0,0,0,0|2,0,0]=4 30565 B13R1.158 Cc1cccnc1CNC[C@@H](C)O 34a_100011223789_100009817552 [0,2,0,0,0,0|1,0,0]=3 30566 B13R1.158 Cc1cccnc1COCC(C)Br 34a_100012180447_100000696600 [0,2,0,0,0,0|1,0,0]=3 30567 B13R1.158 Cc1cccnc1COCC(C)C 34a_100000210257_100000696600 [0,2,0,0,0,0|1,0,0]=3 30568 B13R1.158 Cc1cccnc1COCC(C)C 34a_100000698912_100000210624 [0,2,0,0,0,0|1,0,0]=3 30569 B13R1.158 Cc1cccnc1COCC(C)F 34a_100015925927_100000696600 [0,2,0,0,0,0|1,0,0]=3 30570 B13R1.158 Cc1cccnc1COCC(C)O 34a_100000698912_100011218427 [0,2,0,0,0,0|1,0,0]=3 30571 B13R1.158 Cc1cccnc1COCC(F)F 34a_100000698912_100011934356 [0,2,0,0,0,0|2,0,0]=4 30572 B13R1.158 Cc1cccnc1COCC(F)F 34a_100000743014_100000696600 [0,2,0,0,0,0|2,0,0]=4 30573 B13R1.158 Cc1cccnc1COC[C@@H](C)Cl 34a_100016084084_100000696600 [0,2,0,0,0,0|1,0,0]=3 30574 B13R1.158 Cc1cccnc1COC[C@@H](C)N 34a_100000737577_100000696600 [0,2,0,0,0,0|1,0,0]=3 30575 B13R1.158 Cc1cccnc1COC[C@@H](C)O 34a_100000698912_100009817552 [0,2,0,0,0,0|1,0,0]=3 30576 B13R1.158 Cc1cccnc1CSCC(C)C 62a_100000210624_100000696600 [0,2,0,0,0,0|1,0,0]=3 30577 B13R1.158 Cc1cccnc1CSCC(C)C 62a_100000696600_100000210760 [0,2,0,0,0,0|1,0,0]=3 30578 B13R1.158 Cc1cccnc1CSCC(C)O 62a_100000696600_100011218427 [0,2,0,0,0,0|1,0,0]=3 30579 B13R1.158 Cc1cccnc1CSCC(C)O 62a_100011218427_100000696600 [0,2,0,0,0,0|1,0,0]=3 30580 B13R1.158 Cc1cccnc1CSCC(F)F 62a_100000696600_100011934356 [0,2,0,0,0,0|2,0,0]=4 30581 B13R1.158 Cc1cccnc1CSCC(F)F 62a_100011934356_100000696600 [0,2,0,0,0,0|2,0,0]=4 30582 B13R1.158 Cc1cccnc1CSC[C@@H](C)O 62a_100000696600_100009817552 [0,2,0,0,0,0|1,0,0]=3 30583 B13R1.158 Cc1cccnc1CSC[C@@H](C)O 62a_100009817552_100000696600 [0,2,0,0,0,0|1,0,0]=3 30584 B13R1.158 Cc1cccnc1SCCC(C)C 62a_100000210312_100000751373 [0,2,0,0,0,0|1,0,0]=3 30585 B13R1.158 Cc1cccnc1SCCC(C)C 62a_100000751373_100000210312 [0,2,0,0,0,0|1,0,0]=3 30586 B13R1.158 Cc1cccnc1SCCC(C)O 62a_100000751373_100012276601 [0,2,0,0,0,0|1,0,0]=3 30587 B13R1.158 Cc1cccnc1SCCC(C)O 62a_100012276601_100000751373 [0,2,0,0,0,0|1,0,0]=3 30588 B13R1.158 Cc1cccnc1SCCN(C)C 62a_100000751373_100000755713 [0,2,0,0,0,0|2,0,0]=4 30589 B13R1.158 Cc1cccnc1SCOC(C)C 62a_100000709892_100000751373 [0,2,0,0,0,0|2,0,0]=4 30590 B13R1.158 Cc1cccnc1SCOC(C)C 62a_100000751373_100000709892 [0,2,0,0,0,0|2,0,0]=4 30591 B13R1.158 Cc1ccnnc1NCCC(C)C 27a_100000210545_100000089043 [0,2,0,0,0,0|2,0,0]=4 30592 B13R1.158 Cc1ccnnc1NCCC(C)O 27a_200000755665_100000089043 [0,2,0,0,0,0|2,0,0]=4 30593 B13R1.158 Cc1ccnnc1SCCC(C)C 62a_100000210312_100000089043 [0,2,0,0,0,0|2,0,0]=4 30594 B13R1.158 Cc1ccnnc1SCCC(C)O 62a_100012276601_100000089043 [0,2,0,0,0,0|2,0,0]=4 30595 B13R1.158 Cc1cncnc1NCCC(C)C 27a_100000210545_100011998708 [0,2,0,0,0,0|2,0,0]=4 30596 B13R1.158 Cc1cncnc1NCCC(C)O 27a_200000755665_100011998708 [0,2,0,0,0,0|2,0,0]=4 30597 B13R1.158 Cc1cncnc1SCCC(C)C 62a_100000210312_100011998708 [0,2,0,0,0,0|2,0,0]=4 30598 B13R1.158 Cc1cncnc1SCCC(C)C 62a_100011998708_100000210312 [0,2,0,0,0,0|2,0,0]=4 30599 B13R1.158 Cc1cncnc1SCCC(C)O 62a_100011998708_100012276601 [0,2,0,0,0,0|2,0,0]=4 30600 B13R1.158 Cc1cncnc1SCCC(C)O 62a_100012276601_100011998708 [0,2,0,0,0,0|2,0,0]=4 30601 B13R1.158 Cc1nccnc1CNCC(C)C 2230a_100020641712_100000210760 [0,2,0,0,0,0|2,0,0]=4 30602 B13R1.158 Cc1nccnc1CNCC(C)C 270004a_100000210953_100000050726 [0,2,0,0,0,0|2,0,0]=4 30603 B13R1.158 Cc1nccnc1CNCC(C)C 270004a_100020641712_100000210432 [0,2,0,0,0,0|2,0,0]=4 30604 B13R1.158 Cc1nccnc1CNCC(C)C 34a_100020641712_100000210624 [0,2,0,0,0,0|2,0,0]=4 30605 B13R1.158 Cc1nccnc1CNCC(C)O 2230a_100020641712_100011218427 [0,2,0,0,0,0|2,0,0]=4 30606 B13R1.158 Cc1nccnc1CNCC(C)O 270004a_100000210904_100000050726 [0,2,0,0,0,0|2,0,0]=4 30607 B13R1.158 Cc1nccnc1CNCC(C)O 34a_100020641712_100011218427 [0,2,0,0,0,0|2,0,0]=4 30608 B13R1.158 Cc1nccnc1CNC[C@@H](C)O 2230a_100020641712_100009817552 [0,2,0,0,0,0|2,0,0]=4 30609 B13R1.158 Cc1nccnc1CNC[C@@H](C)O 34a_100020641712_100009817552 [0,2,0,0,0,0|2,0,0]=4 30610 B13R1.158 Cc1nccnc1NCCC(C)C 27a_100000210545_100011999405 [0,2,0,0,0,0|2,0,0]=4 30611 B13R1.158 Cc1nccnc1NCCC(C)O 27a_200000755665_100011999405 [0,2,0,0,0,0|2,0,0]=4 30612 B13R1.158 Cc1nccnc1OCCC(C)C 34a_100000766352_100000210312 [0,2,0,0,0,0|2,0,0]=4 30613 B13R1.158 Cc1nccnc1OCCC(C)O 34a_100000766352_100012276601 [0,2,0,0,0,0|2,0,0]=4 30614 B13R1.158 Cc1nccnc1SCCC(C)C 62a_100000210312_100011999405 [0,2,0,0,0,0|2,0,0]=4 30615 B13R1.158 Cc1nccnc1SCCC(C)C 62a_100011999405_100000210312 [0,2,0,0,0,0|2,0,0]=4 30616 B13R1.158 Cc1nccnc1SCCC(C)O 62a_100011999405_100012276601 [0,2,0,0,0,0|2,0,0]=4 30617 B13R1.158 Cc1nccnc1SCCC(C)O 62a_100012276601_100011999405 [0,2,0,0,0,0|2,0,0]=4 30618 B13R1.158 FC(F)CNCc1ncccc1Br 207a_100000765723_100011934733 [0,2,0,0,0,0|2,0,0]=4 30619 B13R1.158 FC(F)CNCc1ncccc1Br 270004a_100000765723_100011934733 [0,2,0,0,0,0|2,0,0]=4 30620 B13R1.158 FC(F)CNCc1ncccc1Br 34a_100000765723_100025702911 [0,2,0,0,0,0|2,0,0]=4 30621 B13R1.158 FC(F)CNCc1ncccc1Cl 207a_100000765723_100012001307 [0,2,0,0,0,0|2,0,0]=4 30622 B13R1.158 FC(F)CNCc1ncccc1Cl 2230a_100015189233_100011934356 [0,2,0,0,0,0|2,0,0]=4 30623 B13R1.158 FC(F)CNCc1ncccc1Cl 270004a_100000765723_100012001307 [0,2,0,0,0,0|2,0,0]=4 30624 B13R1.158 FC(F)COCc1ncccc1Br 34a_100000743014_100025702911 [0,2,0,0,0,0|2,0,0]=4 30625 B13R1.158 FC(F)COCc1ncccc1Br 34a_100011996772_100011934356 [0,2,0,0,0,0|2,0,0]=4 30626 B13R1.158 FC(F)COCc1ncccc1Cl 34a_100012002383_100011934356 [0,2,0,0,0,0|2,0,0]=4 30627 B13R1.158 FC(F)CSCc1ncccc1Br 62a_100011934356_100025702911 [0,2,0,0,0,0|2,0,0]=4 30628 B13R1.158 FC(F)CSCc1ncccc1Br 62a_100025702911_100011934356 [0,2,0,0,0,0|2,0,0]=4 30629 B13R1.158 FC(F)CSCc1ncccc1Cl 62a_100000099807_100011934356 [0,2,0,0,0,0|2,0,0]=4 30630 B13R1.158 FC(F)CSCc1ncccc1Cl 62a_100011934356_100000099807 [0,2,0,0,0,0|2,0,0]=4 30631 B13R1.158 Fc1cccnc1CNCC(F)F 207a_100000765723_100011934734 [0,2,0,0,0,0|2,0,0]=4 30632 B13R1.158 Fc1cccnc1CNCC(F)F 270004a_100000765723_100011934734 [0,2,0,0,0,0|2,0,0]=4 30633 B13R1.158 Fc1cccnc1CNCC(F)F 34a_100000690088_100011934356 [0,2,0,0,0,0|2,0,0]=4 30634 B13R1.158 Fc1cccnc1CNCC(F)F 34a_100000765723_100000104219 [0,2,0,0,0,0|2,0,0]=4 30635 B13R1.158 Fc1cccnc1COCC(F)F 34a_100000743014_100000104219 [0,2,0,0,0,0|2,0,0]=4 30636 B13R1.158 Fc1cccnc1COCC(F)F 34a_100011934865_100011934356 [0,2,0,0,0,0|2,0,0]=4 30637 B13R1.158 Fc1cccnc1CSCC(F)F 62a_100000104219_100011934356 [0,2,0,0,0,0|2,0,0]=4 30638 B13R1.158 Fc1cccnc1CSCC(F)F 62a_100011934356_100000104219 [0,2,0,0,0,0|2,0,0]=4 30639 B13R1.158 Nc1cccnc1COCC(F)F 34a_114873767017_100011934356 [0,2,0,0,0,0|2,0,0]=4 30640 B13R1.158 Oc1cccnc1CNCC(F)F 34a_100000765723_200020655725 [0,2,0,0,0,0|2,0,0]=4 30641 B13R1.158 Oc1cccnc1COCC(F)F 34a_100000743014_200020655725 [0,2,0,0,0,0|2,0,0]=4 30642 B13R1.158 Oc1cccnc1CSCC(F)F 62a_100011934356_200020655725 [0,2,0,0,0,0|2,0,0]=4 30643 B13R1.158 Oc1cccnc1CSCC(F)F 62a_200020655725_100011934356 [0,2,0,0,0,0|2,0,0]=4 30644 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,2,0,0,0,0|1,0,1]=4 30645 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,2,0,0,0,0|1,0,1]=4 30646 B13R1.3523 CC(C)(C)CCNc1ccccc1 34a_100000106764_100000755188 [0,2,0,0,0,0|2,0,0]=4 30647 B13R1.3523 CC(C)(C)CCNc1cccnn1 27a_100000738805_100016991348 [0,2,0,0,0,0|2,0,0]=4 30648 B13R1.3523 CC(C)(C)CCNc1ccncn1 27a_100000738805_100000703185 [0,2,0,0,0,0|2,0,0]=4 30649 B13R1.3523 CC(C)(C)CCNc1cnccn1 27a_100000738805_100000211759 [0,2,0,0,0,0|2,0,0]=4 30650 B13R1.3523 CC(C)(C)CCNc1ncccn1 27a_100000738805_100000211032 [0,2,0,0,0,0|2,0,0]=4 30651 B13R1.3523 CC(C)(C)CCOc1ccccc1 34a_100000210340_100000755188 [0,2,0,0,0,0|2,0,0]=4 30652 B13R1.3523 CC(C)(C)CCOc1ccccc1 7a_100000210340_100000755188 [0,2,0,0,0,0|2,0,0]=4 30653 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000719477_100000755188 [0,2,0,0,0,0|2,0,0]=4 30654 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000755188_100000041952 [0,2,0,0,0,0|2,0,0]=4 30655 B13R1.3523 CC(C)(C)CCSc1ccccn1 62a_100000755188_100011216584 [0,2,0,0,0,0|1,0,0]=3 30656 B13R1.3523 CC(C)(C)CCSc1ccccn1 62a_100011216584_100000755188 [0,2,0,0,0,0|1,0,0]=3 30657 B13R1.3523 CC(C)(C)CCSc1cccnn1 62a_100000755188_100016991348 [0,2,0,0,0,0|2,0,0]=4 30658 B13R1.3523 CC(C)(C)CCSc1cccnn1 62a_100016991348_100000755188 [0,2,0,0,0,0|2,0,0]=4 30659 B13R1.3523 CC(C)(C)CCSc1ccncn1 62a_100000703185_100000755188 [0,2,0,0,0,0|2,0,0]=4 30660 B13R1.3523 CC(C)(C)CCSc1ccncn1 62a_100000755188_100000703185 [0,2,0,0,0,0|2,0,0]=4 30661 B13R1.3523 CC(C)(C)CCSc1cnccn1 62a_100000211759_100000755188 [0,2,0,0,0,0|2,0,0]=4 30662 B13R1.3523 CC(C)(C)CCSc1cnccn1 62a_100000755188_100000211759 [0,2,0,0,0,0|2,0,0]=4 30663 B13R1.3523 CC(C)(C)CCSc1ncccn1 62a_100000211032_100000755188 [0,2,0,0,0,0|2,0,0]=4 30664 B13R1.3523 CC(C)(C)CCSc1ncccn1 62a_100000755188_100000211032 [0,2,0,0,0,0|2,0,0]=4 30665 B13R1.3523 CC(C)(C)CNCc1ccccc1 207a_100000743828_100015611070 [0,2,0,0,0,0|2,0,0]=4 30666 B13R1.3523 CC(C)(C)CNCc1ccccc1 2230a_100000743828_100015291786 [0,2,0,0,0,0|2,0,0]=4 30667 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100000743828_100015611070 [0,2,0,0,0,0|2,0,0]=4 30668 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100015324214_100011204126 [0,2,0,0,0,0|2,0,0]=4 30669 B13R1.3523 CC(C)(C)CNCc1ccccc1 34a_100015324214_100011219605 [0,2,0,0,0,0|2,0,0]=4 30670 B13R1.3523 CC(C)(C)CNCc1ccccn1 207a_100000743828_100000209966 [0,2,0,0,0,0|1,0,0]=3 30671 B13R1.3523 CC(C)(C)CNCc1ccccn1 2230a_100000743828_100000721315 [0,2,0,0,0,0|1,0,0]=3 30672 B13R1.3523 CC(C)(C)CNCc1ccccn1 270004a_100000210449_100011204126 [0,2,0,0,0,0|1,0,0]=3 30673 B13R1.3523 CC(C)(C)CNCc1ccccn1 270004a_100000743828_100000209966 [0,2,0,0,0,0|1,0,0]=3 30674 B13R1.3523 CC(C)(C)CNCc1cccnn1 2230a_100000743828_100016990269 [0,2,0,0,0,0|2,0,0]=4 30675 B13R1.3523 CC(C)(C)CNCc1cnccn1 2230a_100000743828_100016995436 [0,2,0,0,0,0|2,0,0]=4 30676 B13R1.3523 CC(C)(C)CNCc1cnccn1 270004a_100000743828_100000749867 [0,2,0,0,0,0|2,0,0]=4 30677 B13R1.3523 CC(C)(C)CNCc1ncccn1 2230a_100000743828_100000703007 [0,2,0,0,0,0|2,0,0]=4 30678 B13R1.3523 CC(C)(C)CNCc1ncccn1 270004a_100000743828_100011532527 [0,2,0,0,0,0|2,0,0]=4 30679 B13R1.3523 CC(C)(C)COCc1ccccc1 34a_100000210790_100011219605 [0,2,0,0,0,0|2,0,0]=4 30680 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100000211182_100011219605 [0,2,0,0,0,0|2,0,0]=4 30681 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100011219605_100015291786 [0,2,0,0,0,0|2,0,0]=4 30682 B13R1.3523 CC(C)(C)CSCc1ccccn1 62a_100000721315_100011219605 [0,2,0,0,0,0|1,0,0]=3 30683 B13R1.3523 CC(C)(C)CSCc1ccccn1 62a_100011219605_100000721315 [0,2,0,0,0,0|1,0,0]=3 30684 B13R1.3523 CC(C)(C)CSCc1cccnn1 62a_100011219605_100016990269 [0,2,0,0,0,0|2,0,0]=4 30685 B13R1.3523 CC(C)(C)CSCc1cccnn1 62a_100016990269_100011219605 [0,2,0,0,0,0|2,0,0]=4 30686 B13R1.3523 CC(C)(C)CSCc1cnccn1 62a_100011219605_100016995436 [0,2,0,0,0,0|2,0,0]=4 30687 B13R1.3523 CC(C)(C)CSCc1cnccn1 62a_100016995436_100011219605 [0,2,0,0,0,0|2,0,0]=4 30688 B13R1.3523 CC(C)(C)CSCc1ncccn1 62a_100000703007_100011219605 [0,2,0,0,0,0|2,0,0]=4 30689 B13R1.3523 CC(C)(C)CSCc1ncccn1 62a_100011219605_100000703007 [0,2,0,0,0,0|2,0,0]=4 30690 B13R1.3523 CC(C)(C)NCCc1ccccc1 2230a_100000715429_100000765856 [0,2,0,0,0,0|2,0,0]=4 30691 B13R1.3523 CC(C)(C)NCCc1ccccc1 34a_100000106460_100000210625 [0,2,0,0,0,0|2,0,0]=4 30692 B13R1.3523 CC(C)(C)NCCc1ccccn1 2230a_100000715429_100015183660 [0,2,0,0,0,0|1,0,0]=3 30693 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100000210268_100000210625 [0,2,0,0,0,0|2,0,0]=4 30694 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100015890283_100000765856 [0,2,0,0,0,0|2,0,0]=4 30695 B13R1.3523 CC(C)(C)OCCc1ccccc1 7a_100015890283_100000765856 [0,2,0,0,0,0|2,0,0]=4 30696 B13R1.3523 CC(C)(C)OCCc1ccccn1 34a_100000210271_100000210625 [0,2,0,0,0,0|1,0,0]=3 30697 B13R1.3523 CC(C)(C)OCCc1ccccn1 7a_100015890283_100015183660 [0,2,0,0,0,0|1,0,0]=3 30698 B13R1.3523 CC(C)(C)OCCc1cnccn1 34a_100011349526_100000210625 [0,2,0,0,0,0|2,0,0]=4 30699 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000211941_100011218657 [0,2,0,0,0,0|2,0,0]=4 30700 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000765856_100000211941 [0,2,0,0,0,0|2,0,0]=4 30701 B13R1.3523 CC(C)(C)SCCc1ccccn1 62a_100000211941_100015183660 [0,2,0,0,0,0|1,0,0]=3 30702 B13R1.3523 CC(C)(C)SCCc1ccccn1 62a_100015183660_100000211941 [0,2,0,0,0,0|1,0,0]=3 30703 B13R1.3523 CC(C)(F)CCNc1cccnn1 27a_100016253952_100016991348 [0,2,0,0,0,0|2,0,0]=4 30704 B13R1.3523 CC(C)(F)CCNc1ccncn1 27a_100016253952_100000703185 [0,2,0,0,0,0|2,0,0]=4 30705 B13R1.3523 CC(C)(F)CCNc1cnccn1 27a_100016253952_100000211759 [0,2,0,0,0,0|2,0,0]=4 30706 B13R1.3523 CC(C)(F)CCNc1ncccn1 27a_100016253952_100000211032 [0,2,0,0,0,0|2,0,0]=4 30707 B13R1.3523 CC(C)(F)CNCc1ccccc1 207a_100020643315_100015611070 [0,2,0,0,0,0|2,0,0]=4 30708 B13R1.3523 CC(C)(F)CNCc1ccccc1 2230a_100020643315_100015291786 [0,2,0,0,0,0|2,0,0]=4 30709 B13R1.3523 CC(C)(F)CNCc1ccccc1 270004a_100020643315_100015611070 [0,2,0,0,0,0|2,0,0]=4 30710 B13R1.3523 CC(C)(F)CNCc1ccccc1 34a_100015324214_100011997219 [0,2,0,0,0,0|2,0,0]=4 30711 B13R1.3523 CC(C)(F)CNCc1ccccn1 207a_100020643315_100000209966 [0,2,0,0,0,0|1,0,0]=3 30712 B13R1.3523 CC(C)(F)CNCc1ccccn1 2230a_100020643315_100000721315 [0,2,0,0,0,0|1,0,0]=3 30713 B13R1.3523 CC(C)(F)CNCc1ccccn1 270004a_100020643315_100000209966 [0,2,0,0,0,0|1,0,0]=3 30714 B13R1.3523 CC(C)(F)CNCc1cccnn1 2230a_100020643315_100016990269 [0,2,0,0,0,0|2,0,0]=4 30715 B13R1.3523 CC(C)(F)CNCc1cnccn1 2230a_100020643315_100016995436 [0,2,0,0,0,0|2,0,0]=4 30716 B13R1.3523 CC(C)(F)CNCc1cnccn1 270004a_100020643315_100000749867 [0,2,0,0,0,0|2,0,0]=4 30717 B13R1.3523 CC(C)(F)CNCc1ncccn1 2230a_100020643315_100000703007 [0,2,0,0,0,0|2,0,0]=4 30718 B13R1.3523 CC(C)(F)CNCc1ncccn1 270004a_100020643315_100011532527 [0,2,0,0,0,0|2,0,0]=4 30719 B13R1.3523 CC(C)(F)COCc1ccccc1 34a_100000210790_100011997219 [0,2,0,0,0,0|2,0,0]=4 30720 B13R1.3523 CC(C)(F)COCc1ccccc1 34a_100000716592_100015291786 [0,2,0,0,0,0|2,0,0]=4 30721 B13R1.3523 CC(C)(F)COCc1ccccn1 34a_100000716592_100000721315 [0,2,0,0,0,0|1,0,0]=3 30722 B13R1.3523 CC(C)(F)COCc1cccnn1 34a_100000716592_100016990269 [0,2,0,0,0,0|2,0,0]=4 30723 B13R1.3523 CC(C)(F)COCc1cnccn1 34a_100000716592_100016995436 [0,2,0,0,0,0|2,0,0]=4 30724 B13R1.3523 CC(C)(F)COCc1ncccn1 34a_100000716592_100000703007 [0,2,0,0,0,0|2,0,0]=4 30725 B13R1.3523 CC(C)(F)CSCc1ccccc1 62a_100000211182_100011997219 [0,2,0,0,0,0|2,0,0]=4 30726 B13R1.3523 CC(C)(F)CSCc1ccccc1 62a_100011997219_100015291786 [0,2,0,0,0,0|2,0,0]=4 30727 B13R1.3523 CC(C)(F)CSCc1ccccn1 62a_100000721315_100011997219 [0,2,0,0,0,0|1,0,0]=3 30728 B13R1.3523 CC(C)(F)CSCc1ccccn1 62a_100011997219_100000721315 [0,2,0,0,0,0|1,0,0]=3 30729 B13R1.3523 CC(C)(F)CSCc1cccnn1 62a_100011997219_100016990269 [0,2,0,0,0,0|2,0,0]=4 30730 B13R1.3523 CC(C)(F)CSCc1cccnn1 62a_100016990269_100011997219 [0,2,0,0,0,0|2,0,0]=4 30731 B13R1.3523 CC(C)(F)CSCc1cnccn1 62a_100011997219_100016995436 [0,2,0,0,0,0|2,0,0]=4 30732 B13R1.3523 CC(C)(F)CSCc1cnccn1 62a_100016995436_100011997219 [0,2,0,0,0,0|2,0,0]=4 30733 B13R1.3523 CC(C)(F)CSCc1ncccn1 62a_100000703007_100011997219 [0,2,0,0,0,0|2,0,0]=4 30734 B13R1.3523 CC(C)(F)CSCc1ncccn1 62a_100011997219_100000703007 [0,2,0,0,0,0|2,0,0]=4 30735 B13R1.3523 CC(C)(O)CCNc1ccccc1 34a_100000106764_100000702414 [0,2,0,0,0,0|2,0,0]=4 30736 B13R1.3523 CC(C)(O)CCNc1cccnn1 27a_100000707701_100016991348 [0,2,0,0,0,0|2,0,0]=4 30737 B13R1.3523 CC(C)(O)CCNc1ccncn1 27a_100000707701_100000703185 [0,2,0,0,0,0|2,0,0]=4 30738 B13R1.3523 CC(C)(O)CCNc1cnccn1 27a_100000707701_100000211759 [0,2,0,0,0,0|2,0,0]=4 30739 B13R1.3523 CC(C)(O)CCNc1ncccn1 27a_100000707701_100000211032 [0,2,0,0,0,0|2,0,0]=4 30740 B13R1.3523 CC(C)(O)CCOc1ccccc1 34a_100000210340_100000702414 [0,2,0,0,0,0|2,0,0]=4 30741 B13R1.3523 CC(C)(O)CCOc1ccccc1 7a_100000210340_100000702414 [0,2,0,0,0,0|2,0,0]=4 30742 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000702414_100000041952 [0,2,0,0,0,0|2,0,0]=4 30743 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000719477_100000702414 [0,2,0,0,0,0|2,0,0]=4 30744 B13R1.3523 CC(C)(O)CCSc1ccccn1 62a_100000702414_100011216584 [0,2,0,0,0,0|1,0,0]=3 30745 B13R1.3523 CC(C)(O)CCSc1ccccn1 62a_100011216584_100000702414 [0,2,0,0,0,0|1,0,0]=3 30746 B13R1.3523 CC(C)(O)CCSc1cccnn1 62a_100000702414_100016991348 [0,2,0,0,0,0|2,0,0]=4 30747 B13R1.3523 CC(C)(O)CCSc1cccnn1 62a_100016991348_100000702414 [0,2,0,0,0,0|2,0,0]=4 30748 B13R1.3523 CC(C)(O)CCSc1ccncn1 62a_100000702414_100000703185 [0,2,0,0,0,0|2,0,0]=4 30749 B13R1.3523 CC(C)(O)CCSc1ccncn1 62a_100000703185_100000702414 [0,2,0,0,0,0|2,0,0]=4 30750 B13R1.3523 CC(C)(O)CCSc1cnccn1 62a_100000211759_100000702414 [0,2,0,0,0,0|2,0,0]=4 30751 B13R1.3523 CC(C)(O)CCSc1cnccn1 62a_100000702414_100000211759 [0,2,0,0,0,0|2,0,0]=4 30752 B13R1.3523 CC(C)(O)CCSc1ncccn1 62a_100000211032_100000702414 [0,2,0,0,0,0|2,0,0]=4 30753 B13R1.3523 CC(C)(O)CCSc1ncccn1 62a_100000702414_100000211032 [0,2,0,0,0,0|2,0,0]=4 30754 B13R1.3523 CC(C)(O)CNCc1ccccc1 207a_100000751335_100015611070 [0,2,0,0,0,0|2,0,0]=4 30755 B13R1.3523 CC(C)(O)CNCc1ccccc1 2230a_100000751335_100015291786 [0,2,0,0,0,0|2,0,0]=4 30756 B13R1.3523 CC(C)(O)CNCc1ccccc1 270004a_100000751335_100015611070 [0,2,0,0,0,0|2,0,0]=4 30757 B13R1.3523 CC(C)(O)CNCc1ccccc1 34a_100015324214_100000764493 [0,2,0,0,0,0|2,0,0]=4 30758 B13R1.3523 CC(C)(O)CNCc1ccccn1 207a_100000751335_100000209966 [0,2,0,0,0,0|1,0,0]=3 30759 B13R1.3523 CC(C)(O)CNCc1ccccn1 2230a_100000751335_100000721315 [0,2,0,0,0,0|1,0,0]=3 30760 B13R1.3523 CC(C)(O)CNCc1ccccn1 270004a_100000751335_100000209966 [0,2,0,0,0,0|1,0,0]=3 30761 B13R1.3523 CC(C)(O)CNCc1cccnn1 2230a_100000751335_100016990269 [0,2,0,0,0,0|2,0,0]=4 30762 B13R1.3523 CC(C)(O)CNCc1cnccn1 2230a_100000751335_100016995436 [0,2,0,0,0,0|2,0,0]=4 30763 B13R1.3523 CC(C)(O)CNCc1cnccn1 270004a_100000751335_100000749867 [0,2,0,0,0,0|2,0,0]=4 30764 B13R1.3523 CC(C)(O)CNCc1ncccn1 2230a_100000751335_100000703007 [0,2,0,0,0,0|2,0,0]=4 30765 B13R1.3523 CC(C)(O)CNCc1ncccn1 270004a_100000751335_100011532527 [0,2,0,0,0,0|2,0,0]=4 30766 B13R1.3523 CC(C)(O)COCc1ccccc1 34a_100000210790_100000764493 [0,2,0,0,0,0|2,0,0]=4 30767 B13R1.3523 CC(C)(O)COCc1ccccc1 7a_100000210790_100000764493 [0,2,0,0,0,0|2,0,0]=4 30768 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000211182_100000764493 [0,2,0,0,0,0|2,0,0]=4 30769 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000764493_100015291786 [0,2,0,0,0,0|2,0,0]=4 30770 B13R1.3523 CC(C)(O)CSCc1ccccn1 62a_100000721315_100000764493 [0,2,0,0,0,0|1,0,0]=3 30771 B13R1.3523 CC(C)(O)CSCc1ccccn1 62a_100000764493_100000721315 [0,2,0,0,0,0|1,0,0]=3 30772 B13R1.3523 CC(C)(O)CSCc1cccnn1 62a_100000764493_100016990269 [0,2,0,0,0,0|2,0,0]=4 30773 B13R1.3523 CC(C)(O)CSCc1cccnn1 62a_100016990269_100000764493 [0,2,0,0,0,0|2,0,0]=4 30774 B13R1.3523 CC(C)(O)CSCc1cnccn1 62a_100000764493_100016995436 [0,2,0,0,0,0|2,0,0]=4 30775 B13R1.3523 CC(C)(O)CSCc1cnccn1 62a_100016995436_100000764493 [0,2,0,0,0,0|2,0,0]=4 30776 B13R1.3523 CC(C)(O)CSCc1ncccn1 62a_100000703007_100000764493 [0,2,0,0,0,0|2,0,0]=4 30777 B13R1.3523 CC(C)(O)CSCc1ncccn1 62a_100000764493_100000703007 [0,2,0,0,0,0|2,0,0]=4 30778 B13R1.3523 CC(F)(F)CNCc1ccccc1 207a_100000731000_100015611070 [0,2,0,0,0,0|2,0,0]=4 30779 B13R1.3523 CC(F)(F)CNCc1ccccc1 270004a_100000731000_100015611070 [0,2,0,0,0,0|2,0,0]=4 30780 B13R1.3523 CC(F)(F)CNCc1ccccn1 207a_100000731000_100000209966 [0,2,0,0,0,0|1,0,0]=3 30781 B13R1.3523 CC(F)(F)CNCc1ccccn1 270004a_100000731000_100000209966 [0,2,0,0,0,0|1,0,0]=3 30782 B13R1.3523 CC(F)(F)CNCc1cnccn1 270004a_100000731000_100000749867 [0,2,0,0,0,0|2,0,0]=4 30783 B13R1.3523 CC(F)(F)CNCc1ncccn1 270004a_100000731000_100011532527 [0,2,0,0,0,0|2,0,0]=4 30784 B13R1.3523 CC(F)(F)COCc1ccccc1 34a_100000068830_100015291786 [0,2,0,0,0,0|2,0,0]=4 30785 B13R1.3523 CC(F)(F)COCc1ccccn1 34a_100000068830_100000721315 [0,2,0,0,0,0|1,0,0]=3 30786 B13R1.3523 CC(F)(F)COCc1cccnn1 34a_100000068830_100016990269 [0,2,0,0,0,0|2,0,0]=4 30787 B13R1.3523 CC(F)(F)COCc1cnccn1 34a_100000068830_100016995436 [0,2,0,0,0,0|2,0,0]=4 30788 B13R1.3523 CC(F)(F)COCc1ncccn1 34a_100000068830_100000703007 [0,2,0,0,0,0|2,0,0]=4 30789 B13R1.3523 CS(=O)(=O)CCSc1ccccn1 62a_100000731031_100011216584 [0,2,0,0,0,0|2,0,0]=4 30790 B13R1.3523 CS(=O)(=O)CCSc1ccccn1 62a_100011216584_100000230027 [0,2,0,0,0,0|2,0,0]=4 30791 B13R1.3523 CS(=O)(=O)NCCc1ccccn1 40a_100000211156_100000738038 [0,2,0,0,0,0|2,0,0]=4 30792 B13R1.3523 C[N+](C)(C)CCSc1ccccn1 62a_100000085578_100011216584 [0,2,0,0,0,0|2,0,0]=4 30793 B13R1.3523 C[N+](C)(C)CCSc1ccccn1 62a_100011216584_100000085578 [0,2,0,0,0,0|2,0,0]=4 30794 B13R1.3523 C[N+](C)(C)CSCc1ccccn1 62a_100000721315_200000036245 [0,2,0,0,0,0|2,0,0]=4 30795 B13R1.3523 C[N+](C)(C)CSCc1ccccn1 62a_200000036245_100000721315 [0,2,0,0,0,0|2,0,0]=4 30796 B13R1.3523 C[Si](C)(C)CCSc1ccccn1 62a_100011216584_200000733723 [0,2,0,0,0,0|1,1,0]=4 30797 B13R1.3523 C[Si](C)(C)CCSc1ccccn1 62a_200000733723_100011216584 [0,2,0,0,0,0|1,1,0]=4 30798 B13R1.3523 C[Si](C)(C)CSCc1ccccn1 62a_100000037933_100000721315 [0,2,0,0,0,0|1,1,0]=4 30799 B13R1.3523 C[Si](C)(C)CSCc1ccccn1 62a_100000721315_100000037933 [0,2,0,0,0,0|1,1,0]=4 30800 B13R1.3523 FC(F)(Br)COCc1ccccn1 34a_100011217949_100000721315 [0,2,0,0,0,0|2,0,0]=4 30801 B13R1.3523 FC(F)(Cl)COCc1ccccn1 34a_100000734434_100000721315 [0,2,0,0,0,0|2,0,0]=4 30802 B13R1.3523 FC(F)(F)CCSc1ccccn1 62a_100011216584_100011219754 [0,2,0,0,0,0|2,0,0]=4 30803 B13R1.3523 FC(F)(F)CCSc1ccccn1 62a_100011219754_100011216584 [0,2,0,0,0,0|2,0,0]=4 30804 B13R1.3523 FC(F)(F)CNCc1ccccn1 34a_100000717047_100000721315 [0,2,0,0,0,0|2,0,0]=4 30805 B13R1.3523 FC(F)(F)COCc1ccccn1 34a_100000210435_100000721315 [0,2,0,0,0,0|2,0,0]=4 30806 B13R1.3523 FC(F)(F)CSCc1ccccn1 62a_100000721315_100000763148 [0,2,0,0,0,0|2,0,0]=4 30807 B13R1.3523 FC(F)(F)CSCc1ccccn1 62a_100000763148_100000721315 [0,2,0,0,0,0|2,0,0]=4 30808 B13R1.3523 FC(F)(F)OCCc1ccccn1 34a_100000210271_200103152311 [0,2,0,0,0,0|2,0,0]=4 30809 B13R1.3523 FC(F)(F)SCCc1ccccn1 62a_100015183660_200103152311 [0,2,0,0,0,0|2,0,0]=4 30810 B13R1.3523 FC(F)(F)SCCc1ccccn1 62a_200000243211_100015183660 [0,2,0,0,0,0|2,0,0]=4 30811 B13R1.84 C#Cc1ccccc1CNCCC 34a_100020634229_100000210303 [0,2,0,0,0,0|2,0,0]=4 30812 B13R1.84 C#Cc1ccccc1COCCC 34a_100000054652_100000210303 [0,2,0,0,0,0|2,0,0]=4 30813 B13R1.84 C#Cc1ccccc1COCCC 7a_100000054652_100000210303 [0,2,0,0,0,0|2,0,0]=4 30814 B13R1.84 C#Cc1ccccc1NCCCC 34a_100011470550_100000210210 [0,2,0,0,0,0|2,0,0]=4 30815 B13R1.84 C#Cc1ccccc1OCCCC 34a_200011470546_100000210210 [0,2,0,0,0,0|2,0,0]=4 30816 B13R1.84 C#Cc1ccccc1OCCCC 7a_200011470546_100000210211 [0,2,0,0,0,0|2,0,0]=4 30817 B13R1.84 C=Cc1ccccc1CCCCO 271570a_100011290941_100012092669 [0,2,0,0,0,0|2,0,0]=4 30818 B13R1.84 C=Cc1ccccc1CNCCC 271570a_100011290941_100000196483 [0,2,0,0,0,0|2,0,0]=4 30819 B13R1.84 C=Cc1ccccc1COCCC 34a_200010883148_100000210303 [0,2,0,0,0,0|2,0,0]=4 30820 B13R1.84 C=Cc1ccccc1COCCC 7a_200010883148_100000210303 [0,2,0,0,0,0|2,0,0]=4 30821 B13R1.84 C=Cc1ccccc1CSCCC 271570a_100011290941_200000173363 [0,2,0,0,0,0|2,0,0]=4 30822 B13R1.84 C=Cc1ccccc1NCCCC 34a_100012022501_100000210210 [0,2,0,0,0,0|2,0,0]=4 30823 B13R1.84 C=Cc1ccccc1OCCCC 271570a_100011290941_100000230755 [0,2,0,0,0,0|2,0,0]=4 30824 B13R1.84 C=Cc1ccccc1SCCCC 62a_100000210211_100011218376 [0,2,0,0,0,0|2,0,0]=4 30825 B13R1.84 C=Cc1ccccc1SCCCC 62a_100011218376_100000210210 [0,2,0,0,0,0|2,0,0]=4 30826 B13R1.84 C=Cc1cccnc1OCCOC 271570a_100011290941_100000754258 [0,2,0,0,0,0|2,0,0]=4 30827 B13R1.84 C=Cc1cncnc1CCCCC 271570a_100011290941_100009816991 [0,2,0,0,0,0|1,0,0]=3 30828 B13R1.84 CCCC=Cc1ncccc1C#N 271570a_100016258520_100000211984 [0,2,0,0,0,0|0,0,2]=4 30829 B13R1.84 CCCC=Cc1ncccc1C=O 271570a_100016258520_100009816751 [0,2,0,0,0,0|0,0,2]=4 30830 B13R1.84 CCCC=Cc1ncccc1CN 271570a_100016258520_100015189234 [0,2,0,0,0,0|0,0,2]=4 30831 B13R1.84 CCCC=Cc1ncccc1CO 271570a_100016258520_100000748726 [0,2,0,0,0,0|0,0,2]=4 30832 B13R1.84 CCCC=Cc1ncccc1NC 271570a_100016258520_200011806188 [0,2,0,0,0,0|0,0,2]=4 30833 B13R1.84 CCCC=Cc1ncccc1OC 271570a_100016258520_100000690851 [0,2,0,0,0,0|0,0,2]=4 30834 B13R1.84 CCCCCc1ncncc1NC 27a_100102657272_100009816991 [0,2,0,0,0,0|1,0,0]=3 30835 B13R1.84 CCCCCc1ncncc1SC 62a_100009816991_200000210301 [0,2,0,0,0,0|1,0,0]=3 30836 B13R1.84 CCCCCc1ncncc1SC 62a_200000210301_100009816991 [0,2,0,0,0,0|1,0,0]=3 30837 B13R1.84 CCCCCc1ncncc1S[13CH3] 62a_100009816991_200025704644 [0,2,0,0,0,0|1,0,0]=3 30838 B13R1.84 CCCCCc1ncncc1S[13CH3] 62a_200025704644_100009816991 [0,2,0,0,0,0|1,0,0]=3 30839 B13R1.84 CCCCNc1ccccc1C#N 34a_100000211148_100000210210 [0,2,0,0,0,0|2,0,0]=4 30840 B13R1.84 CCCCNc1ccccc1CC 2230a_100000212081_100000210211 [0,2,0,0,0,0|2,0,0]=4 30841 B13R1.84 CCCCNc1ccccc1CC 34a_100000212081_100000210210 [0,2,0,0,0,0|2,0,0]=4 30842 B13R1.84 CCCCNc1ccccc1CC 7a_100000212081_100000210211 [0,2,0,0,0,0|2,0,0]=4 30843 B13R1.84 CCCCNc1ccccc1CO 34a_100000212039_100000210210 [0,2,0,0,0,0|2,0,0]=4 30844 B13R1.84 CCCCNc1ccccc1OC 34a_100000210025_100000210210 [0,2,0,0,0,0|2,0,0]=4 30845 B13R1.84 CCCCNc1ccccc1SC 34a_100000211160_100000210210 [0,2,0,0,0,0|2,0,0]=4 30846 B13R1.84 CCCCNc1ncccc1C#N 27a_100000102301_100000211984 [0,2,0,0,0,0|1,0,0]=3 30847 B13R1.84 CCCCNc1nccnc1C#N 27a_100000102301_100000040484 [0,2,0,0,0,0|2,0,0]=4 30848 B13R1.84 CCCCNc1nccnc1CC 27a_100000102301_100011995844 [0,2,0,0,0,0|2,0,0]=4 30849 B13R1.84 CCCCNc1nccnc1OC 27a_100000102301_100009858322 [0,2,0,0,0,0|2,0,0]=4 30850 B13R1.84 CCCCNc1ncncc1C#N 27a_100000102301_100000687955 [0,2,0,0,0,0|2,0,0]=4 30851 B13R1.84 CCCCNc1ncncc1CC 27a_100000102301_200000100055 [0,2,0,0,0,0|2,0,0]=4 30852 B13R1.84 CCCCNc1ncncc1OC 27a_100000102301_100012001275 [0,2,0,0,0,0|2,0,0]=4 30853 B13R1.84 CCCCNc1nnccc1C#N 27a_100000102301_100000100742 [0,2,0,0,0,0|2,0,0]=4 30854 B13R1.84 CCCCOc1ccccc1C#N 34a_100000211048_100000210210 [0,2,0,0,0,0|2,0,0]=4 30855 B13R1.84 CCCCOc1ccccc1C#N 7a_100000211048_100000210211 [0,2,0,0,0,0|2,0,0]=4 30856 B13R1.84 CCCCOc1ccccc1CC 34a_100000210936_100000210210 [0,2,0,0,0,0|2,0,0]=4 30857 B13R1.84 CCCCOc1ccccc1CC 7a_100000210936_100000210211 [0,2,0,0,0,0|2,0,0]=4 30858 B13R1.84 CCCCOc1ccccc1CN 34a_100000185550_100000210210 [0,2,0,0,0,0|2,0,0]=4 30859 B13R1.84 CCCCOc1ccccc1CO 34a_100011216872_100000210210 [0,2,0,0,0,0|2,0,0]=4 30860 B13R1.84 CCCCOc1ccccc1NC 2230a_100000743494_200000210301 [0,2,0,0,0,0|2,0,0]=4 30861 B13R1.84 CCCCOc1ccccc1NC 34a_100000033821_100000210210 [0,2,0,0,0,0|2,0,0]=4 30862 B13R1.84 CCCCOc1ccccc1NC 34a_100000743494_200000210301 [0,2,0,0,0,0|2,0,0]=4 30863 B13R1.84 CCCCOc1ccccc1N[13CH3] 2230a_100000743494_200025704644 [0,2,0,0,0,0|2,0,0]=4 30864 B13R1.84 CCCCOc1ccccc1N[13CH3] 34a_100000743494_200025704644 [0,2,0,0,0,0|2,0,0]=4 30865 B13R1.84 CCCCOc1ccccc1OC 34a_100000210385_100000210210 [0,2,0,0,0,0|2,0,0]=4 30866 B13R1.84 CCCCOc1ccccc1SC 34a_100011216402_100000210210 [0,2,0,0,0,0|2,0,0]=4 30867 B13R1.84 CCCCOc1ccccc1SC 62a_100000230755_200000210301 [0,2,0,0,0,0|2,0,0]=4 30868 B13R1.84 CCCCOc1ccccc1SC 62a_200000210301_100000230755 [0,2,0,0,0,0|2,0,0]=4 30869 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_100000230755_200025704644 [0,2,0,0,0,0|2,0,0]=4 30870 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_200025704644_100000230755 [0,2,0,0,0,0|2,0,0]=4 30871 B13R1.84 CCCCOc1ncccc1OC 34a_100025773188_100000210210 [0,2,0,0,0,0|1,0,0]=3 30872 B13R1.84 CCCCSc1ccccc1C#N 62a_100000210211_100000188569 [0,2,0,0,0,0|2,0,0]=4 30873 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210073_100000210210 [0,2,0,0,0,0|2,0,0]=4 30874 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210211_100000210073 [0,2,0,0,0,0|2,0,0]=4 30875 B13R1.84 CCCCSc1ccccc1CC 62a_100000210211_100011215823 [0,2,0,0,0,0|2,0,0]=4 30876 B13R1.84 CCCCSc1ccccc1CC 62a_100011215823_100000210210 [0,2,0,0,0,0|2,0,0]=4 30877 B13R1.84 CCCCSc1ccccc1CN 62a_100000210211_100000689332 [0,2,0,0,0,0|2,0,0]=4 30878 B13R1.84 CCCCSc1ccccc1CN 62a_100000689332_100000210210 [0,2,0,0,0,0|2,0,0]=4 30879 B13R1.84 CCCCSc1ccccc1CO 62a_100000187465_100000210210 [0,2,0,0,0,0|2,0,0]=4 30880 B13R1.84 CCCCSc1ccccc1CO 62a_100000210211_100000187465 [0,2,0,0,0,0|2,0,0]=4 30881 B13R1.84 CCCCSc1ccccc1NC 62a_100000210211_100020606079 [0,2,0,0,0,0|2,0,0]=4 30882 B13R1.84 CCCCSc1ccccc1NC 62a_100020606079_100000210210 [0,2,0,0,0,0|2,0,0]=4 30883 B13R1.84 CCCCSc1ccccc1NN 62a_100000210211_100000241748 [0,2,0,0,0,0|2,0,0]=4 30884 B13R1.84 CCCCSc1ccccc1NN 62a_100000241748_100000210210 [0,2,0,0,0,0|2,0,0]=4 30885 B13R1.84 CCCCSc1ccccc1OC 62a_100000210211_100000210334 [0,2,0,0,0,0|2,0,0]=4 30886 B13R1.84 CCCCSc1ccccc1OC 62a_100000210334_100000210210 [0,2,0,0,0,0|2,0,0]=4 30887 B13R1.84 CCCCSc1ccccc1SC 62a_100000210211_100011217816 [0,2,0,0,0,0|2,0,0]=4 30888 B13R1.84 CCCCSc1ccccc1SC 62a_100011217816_100000210210 [0,2,0,0,0,0|2,0,0]=4 30889 B13R1.84 CCCCSc1ncccc1C#N 62a_100000210211_100000211984 [0,2,0,0,0,0|1,0,0]=3 30890 B13R1.84 CCCCSc1ncccc1C=O 62a_100000210211_100009816751 [0,2,0,0,0,0|1,0,0]=3 30891 B13R1.84 CCCCSc1ncccc1C=O 62a_100009816751_100000210210 [0,2,0,0,0,0|1,0,0]=3 30892 B13R1.84 CCCCSc1ncccc1CN 62a_100000210211_100015189234 [0,2,0,0,0,0|1,0,0]=3 30893 B13R1.84 CCCCSc1ncccc1CN 62a_100015189234_100000210210 [0,2,0,0,0,0|1,0,0]=3 30894 B13R1.84 CCCCSc1ncccc1CO 62a_100000210211_100000748726 [0,2,0,0,0,0|1,0,0]=3 30895 B13R1.84 CCCCSc1ncccc1CO 62a_100000748726_100000210210 [0,2,0,0,0,0|1,0,0]=3 30896 B13R1.84 CCCCSc1ncccc1NC 62a_100000210211_200011806188 [0,2,0,0,0,0|1,0,0]=3 30897 B13R1.84 CCCCSc1ncccc1OC 62a_100000210211_100000690851 [0,2,0,0,0,0|1,0,0]=3 30898 B13R1.84 CCCCSc1ncccc1OC 62a_100000767102_100000210210 [0,2,0,0,0,0|1,0,0]=3 30899 B13R1.84 CCCCSc1nccnc1C#N 62a_100000210211_100000040484 [0,2,0,0,0,0|2,0,0]=4 30900 B13R1.84 CCCCSc1nccnc1C=O 62a_100000051000_100000210210 [0,2,0,0,0,0|2,0,0]=4 30901 B13R1.84 CCCCSc1nccnc1C=O 62a_100000210211_100000051000 [0,2,0,0,0,0|2,0,0]=4 30902 B13R1.84 CCCCSc1nccnc1CC 62a_100000210211_100011995844 [0,2,0,0,0,0|2,0,0]=4 30903 B13R1.84 CCCCSc1nccnc1CC 62a_100011995844_100000210210 [0,2,0,0,0,0|2,0,0]=4 30904 B13R1.84 CCCCSc1nccnc1CN 62a_100000210211_100000729963 [0,2,0,0,0,0|2,0,0]=4 30905 B13R1.84 CCCCSc1nccnc1CN 62a_100000729963_100000210210 [0,2,0,0,0,0|2,0,0]=4 30906 B13R1.84 CCCCSc1nccnc1CO 62a_100000057004_100000210210 [0,2,0,0,0,0|2,0,0]=4 30907 B13R1.84 CCCCSc1nccnc1CO 62a_100000210211_100000057004 [0,2,0,0,0,0|2,0,0]=4 30908 B13R1.84 CCCCSc1nccnc1NC 62a_100000210211_100011529439 [0,2,0,0,0,0|2,0,0]=4 30909 B13R1.84 CCCCSc1nccnc1NN 62a_100000210211_100000755098 [0,2,0,0,0,0|2,0,0]=4 30910 B13R1.84 CCCCSc1nccnc1OC 62a_100000210211_100000749998 [0,2,0,0,0,0|2,0,0]=4 30911 B13R1.84 CCCCSc1nccnc1OC 62a_100009858322_100000210210 [0,2,0,0,0,0|2,0,0]=4 30912 B13R1.84 CCCCSc1ncncc1C#N 62a_100000210211_100000687955 [0,2,0,0,0,0|2,0,0]=4 30913 B13R1.84 CCCCSc1ncncc1CC 62a_100000210211_200000100055 [0,2,0,0,0,0|2,0,0]=4 30914 B13R1.84 CCCCSc1ncncc1CC 62a_200000100055_100000210210 [0,2,0,0,0,0|2,0,0]=4 30915 B13R1.84 CCCCSc1ncncc1OC 62a_100000210211_100012001275 [0,2,0,0,0,0|2,0,0]=4 30916 B13R1.84 CCCCSc1ncncc1OC 62a_100012001275_100000210210 [0,2,0,0,0,0|2,0,0]=4 30917 B13R1.84 CCCCSc1nnccc1C#N 62a_100000210211_100000100742 [0,2,0,0,0,0|2,0,0]=4 30918 B13R1.84 CCCNCc1ccccc1C#N 34a_100016989011_100000210303 [0,2,0,0,0,0|2,0,0]=4 30919 B13R1.84 CCCNCc1ccccc1CC 207a_100020643023_100011219594 [0,2,0,0,0,0|2,0,0]=4 30920 B13R1.84 CCCNCc1ccccc1CC 270004a_100020643023_100011219594 [0,2,0,0,0,0|2,0,0]=4 30921 B13R1.84 CCCNCc1ccccc1OC 207a_100020643023_100000169842 [0,2,0,0,0,0|2,0,0]=4 30922 B13R1.84 CCCNCc1ccccc1OC 270004a_100020643023_100000169842 [0,2,0,0,0,0|2,0,0]=4 30923 B13R1.84 CCCNCc1ccccc1OC 34a_100000188900_100000210303 [0,2,0,0,0,0|2,0,0]=4 30924 B13R1.84 CCCNCc1ccccc1OC 34a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 30925 B13R1.84 CCCNCc1ccccc1O[13CH3] 34a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 30926 B13R1.84 CCCNCc1ccccc1SC 207a_100020643023_100011217347 [0,2,0,0,0,0|2,0,0]=4 30927 B13R1.84 CCCNCc1ccccc1SC 270004a_100020643023_100011217347 [0,2,0,0,0,0|2,0,0]=4 30928 B13R1.84 CCCNCc1ccccc1SC 34a_102495365025_100000210303 [0,2,0,0,0,0|2,0,0]=4 30929 B13R1.84 CCCNCc1ccccc1SC 62a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 30930 B13R1.84 CCCNCc1ccccc1SC 62a_200000210301_100000196483 [0,2,0,0,0,0|2,0,0]=4 30931 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 30932 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_200025704644_100000196483 [0,2,0,0,0,0|2,0,0]=4 30933 B13R1.84 CCCNCc1ncccc1OC 207a_100020643023_100011912573 [0,2,0,0,0,0|1,0,0]=3 30934 B13R1.84 CCCNCc1ncccc1OC 270004a_100020643023_100011912573 [0,2,0,0,0,0|1,0,0]=3 30935 B13R1.84 CCCOCc1ccccc1C#N 34a_100000210258_100000181865 [0,2,0,0,0,0|2,0,0]=4 30936 B13R1.84 CCCOCc1ccccc1C#N 34a_200011269968_100000210303 [0,2,0,0,0,0|2,0,0]=4 30937 B13R1.84 CCCOCc1ccccc1C#N 7a_200011269968_100000210303 [0,2,0,0,0,0|2,0,0]=4 30938 B13R1.84 CCCOCc1ccccc1C=O 34a_100000210258_200009853537 [0,2,0,0,0,0|2,0,0]=4 30939 B13R1.84 CCCOCc1ccccc1CBr 34a_100009816955_100000210303 [0,2,0,0,0,0|2,0,0]=4 30940 B13R1.84 CCCOCc1ccccc1CBr 7a_100009816955_100000210303 [0,2,0,0,0,0|2,0,0]=4 30941 B13R1.84 CCCOCc1ccccc1CC 34a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 30942 B13R1.84 CCCOCc1ccccc1CC 7a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 30943 B13R1.84 CCCOCc1ccccc1CN 34a_100000743596_100000210303 [0,2,0,0,0,0|2,0,0]=4 30944 B13R1.84 CCCOCc1ccccc1CO 34a_100000210258_100009816955 [0,2,0,0,0,0|2,0,0]=4 30945 B13R1.84 CCCOCc1ccccc1OC 34a_100000210258_100000210004 [0,2,0,0,0,0|2,0,0]=4 30946 B13R1.84 CCCOCc1ccccc1OC 34a_100000211301_100000210303 [0,2,0,0,0,0|2,0,0]=4 30947 B13R1.84 CCCOCc1ccccc1SC 34a_100000210258_100000699184 [0,2,0,0,0,0|2,0,0]=4 30948 B13R1.84 CCCOCc1ccccc1SC 34a_100000699167_100000210303 [0,2,0,0,0,0|2,0,0]=4 30949 B13R1.84 CCCOCc1ncccc1OC 34a_100011998681_100000210303 [0,2,0,0,0,0|1,0,0]=3 30950 B13R1.84 CCCSCc1ccccc1C#N 62a_100000186380_100000210303 [0,2,0,0,0,0|2,0,0]=4 30951 B13R1.84 CCCSCc1ccccc1C#N 62a_100000210303_100000181865 [0,2,0,0,0,0|2,0,0]=4 30952 B13R1.84 CCCSCc1ccccc1C=O 62a_100000210303_200009853537 [0,2,0,0,0,0|2,0,0]=4 30953 B13R1.84 CCCSCc1ccccc1C=O 62a_200009853537_100000210303 [0,2,0,0,0,0|2,0,0]=4 30954 B13R1.84 CCCSCc1ccccc1CO 62a_100000210303_100009816955 [0,2,0,0,0,0|2,0,0]=4 30955 B13R1.84 CCCSCc1ccccc1CO 62a_100009816955_100000210303 [0,2,0,0,0,0|2,0,0]=4 30956 B13R1.84 CCCSCc1ccccc1OC 62a_100000210004_100000210303 [0,2,0,0,0,0|2,0,0]=4 30957 B13R1.84 CCCSCc1ccccc1OC 62a_100000210303_100000210004 [0,2,0,0,0,0|2,0,0]=4 30958 B13R1.84 CCCSCc1ccccc1SC 62a_100000210303_100000699184 [0,2,0,0,0,0|2,0,0]=4 30959 B13R1.84 CCCSCc1ccccc1SC 62a_100000699184_100000210303 [0,2,0,0,0,0|2,0,0]=4 30960 B13R1.84 CCCSCc1ccccc1SC 62a_200000173363_200000210301 [0,2,0,0,0,0|2,0,0]=4 30961 B13R1.84 CCCSCc1ccccc1SC 62a_200000210301_200000173363 [0,2,0,0,0,0|2,0,0]=4 30962 B13R1.84 CCCSCc1ccccc1S[13CH3] 62a_200000173363_200025704644 [0,2,0,0,0,0|2,0,0]=4 30963 B13R1.84 CCCSCc1ccccc1S[13CH3] 62a_200025704644_200000173363 [0,2,0,0,0,0|2,0,0]=4 30964 B13R1.84 CCCSCc1ncccc1C#N 62a_100000210303_100000099805 [0,2,0,0,0,0|1,0,0]=3 30965 B13R1.84 CCNCCc1ccccc1C#N 2230a_100015525214_200013032965 [0,2,0,0,0,0|2,0,0]=4 30966 B13R1.84 CCNCCc1ccccc1C=O 2230a_100015525214_100010186698 [0,2,0,0,0,0|2,0,0]=4 30967 B13R1.84 CCNCCc1ccccc1CC 2230a_100011663701_100000210202 [0,2,0,0,0,0|2,0,0]=4 30968 B13R1.84 CCNCCc1ccccc1CC 34a_100011663701_100000210202 [0,2,0,0,0,0|2,0,0]=4 30969 B13R1.84 CCNCCc1ccccc1OC 2230a_100000211851_100000210202 [0,2,0,0,0,0|2,0,0]=4 30970 B13R1.84 CCNCCc1ccccc1OC 2230a_100015525214_100011713687 [0,2,0,0,0,0|2,0,0]=4 30971 B13R1.84 CCNCCc1ccccc1OC 270004a_100015525214_100011713418 [0,2,0,0,0,0|2,0,0]=4 30972 B13R1.84 CCNCCc1ccccc1OC 34a_100000211851_100000210202 [0,2,0,0,0,0|2,0,0]=4 30973 B13R1.84 CCNCCc1ccccc1[Pd]Cl 2230a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 30974 B13R1.84 CCNCCc1ccccc1[Pd]Cl 34a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 30975 B13R1.84 CCNCCc1ccccc1[Pd]Cl 7a_106741704370_100000210202 [0,2,0,0,0,0|2,0,0]=4 30976 B13R1.84 CCOCCc1ccccc1C#N 34a_100121572206_200013032965 [0,2,0,0,0,0|2,0,0]=4 30977 B13R1.84 CCOCCc1ccccc1C=O 34a_100121572206_100010186698 [0,2,0,0,0,0|2,0,0]=4 30978 B13R1.84 CCOCCc1ccccc1OC 34a_100011218620_100000210202 [0,2,0,0,0,0|2,0,0]=4 30979 B13R1.84 CCOCCc1ccccc1OC 34a_100121572206_100011713687 [0,2,0,0,0,0|2,0,0]=4 30980 B13R1.84 CCOCCc1ccccc1OC 7a_100011218620_100000210202 [0,2,0,0,0,0|2,0,0]=4 30981 B13R1.84 CCOCSc1ncccc1C#N 62a_100000739092_100000211984 [0,2,0,0,0,0|2,0,0]=4 30982 B13R1.84 CCOCSc1ncccc1C=O 62a_100000739092_100009816751 [0,2,0,0,0,0|2,0,0]=4 30983 B13R1.84 CCOCSc1ncccc1C=O 62a_100009816751_100000739092 [0,2,0,0,0,0|2,0,0]=4 30984 B13R1.84 CCOCSc1ncccc1CN 62a_100000739092_100015189234 [0,2,0,0,0,0|2,0,0]=4 30985 B13R1.84 CCOCSc1ncccc1CN 62a_100015189234_100000739092 [0,2,0,0,0,0|2,0,0]=4 30986 B13R1.84 CCOCSc1ncccc1CO 62a_100000739092_100000748726 [0,2,0,0,0,0|2,0,0]=4 30987 B13R1.84 CCOCSc1ncccc1CO 62a_100000748726_100000739092 [0,2,0,0,0,0|2,0,0]=4 30988 B13R1.84 CCOCSc1ncccc1NC 62a_100000739092_200011806188 [0,2,0,0,0,0|2,0,0]=4 30989 B13R1.84 CCOCSc1ncccc1OC 62a_100000739092_100000690851 [0,2,0,0,0,0|2,0,0]=4 30990 B13R1.84 CCOCSc1ncccc1OC 62a_100000767102_100000739092 [0,2,0,0,0,0|2,0,0]=4 30991 B13R1.84 CCSCCc1ccccc1C#N 62a_100000210202_200013032965 [0,2,0,0,0,0|2,0,0]=4 30992 B13R1.84 CCSCCc1ccccc1C=O 62a_100000210202_100010186698 [0,2,0,0,0,0|2,0,0]=4 30993 B13R1.84 CCSCCc1ccccc1C=O 62a_100010186698_100000210202 [0,2,0,0,0,0|2,0,0]=4 30994 B13R1.84 CCSCCc1ccccc1OC 62a_100000210202_100011713687 [0,2,0,0,0,0|2,0,0]=4 30995 B13R1.84 CCSCCc1ccccc1OC 62a_100011713687_100000210202 [0,2,0,0,0,0|2,0,0]=4 30996 B13R1.84 CNCCCc1ccccc1OC 270004a_106832991635_100011713476 [0,2,0,0,0,0|2,0,0]=4 30997 B13R1.84 CNc1cccnc1SCCCF 62a_100011934791_200011806188 [0,2,0,0,0,0|2,0,0]=4 30998 B13R1.84 CNc1cccnc1SCCCO 62a_100011215043_200011806188 [0,2,0,0,0,0|2,0,0]=4 30999 B13R1.84 CNc1cccnc1SCCOC 62a_100000233755_200011806188 [0,2,0,0,0,0|2,0,0]=4 31000 B13R1.84 CNc1cccnc1SCCSC 62a_100000212216_200011806188 [0,2,0,0,0,0|2,0,0]=4 31001 B13R1.84 COCCCc1ccccc1OC 34a_100011709264_200000210301 [0,2,0,0,0,0|2,0,0]=4 31002 B13R1.84 COCCCc1ccccc1OC 7a_100011709264_200000210301 [0,2,0,0,0,0|2,0,0]=4 31003 B13R1.84 COCCNc1ncccc1C#N 27a_100000209980_100000211984 [0,2,0,0,0,0|2,0,0]=4 31004 B13R1.84 COCCOc1ncccc1OC 34a_100025773188_100011201679 [0,2,0,0,0,0|2,0,0]=4 31005 B13R1.84 COCCOc1ncccc1SC 62a_100000754258_200000210301 [0,2,0,0,0,0|2,0,0]=4 31006 B13R1.84 COCCOc1ncccc1SC 62a_200000210301_100000754258 [0,2,0,0,0,0|2,0,0]=4 31007 B13R1.84 COCCOc1ncccc1S[13CH3] 62a_100000754258_200025704644 [0,2,0,0,0,0|2,0,0]=4 31008 B13R1.84 COCCOc1ncccc1S[13CH3] 62a_200025704644_100000754258 [0,2,0,0,0,0|2,0,0]=4 31009 B13R1.84 COCCSc1ncccc1C#N 62a_100000233755_100000211984 [0,2,0,0,0,0|2,0,0]=4 31010 B13R1.84 COCCSc1ncccc1C=O 62a_100000233755_100009816751 [0,2,0,0,0,0|2,0,0]=4 31011 B13R1.84 COCCSc1ncccc1C=O 62a_100009816751_100000233755 [0,2,0,0,0,0|2,0,0]=4 31012 B13R1.84 COCCSc1ncccc1CN 62a_100000233755_100015189234 [0,2,0,0,0,0|2,0,0]=4 31013 B13R1.84 COCCSc1ncccc1CN 62a_100015189234_100000233755 [0,2,0,0,0,0|2,0,0]=4 31014 B13R1.84 COCCSc1ncccc1CO 62a_100000233755_100000748726 [0,2,0,0,0,0|2,0,0]=4 31015 B13R1.84 COCCSc1ncccc1CO 62a_100000748726_100000233755 [0,2,0,0,0,0|2,0,0]=4 31016 B13R1.84 COCCSc1ncccc1OC 62a_100000233755_100000690851 [0,2,0,0,0,0|2,0,0]=4 31017 B13R1.84 COCCSc1ncccc1OC 62a_100000767102_100000233755 [0,2,0,0,0,0|2,0,0]=4 31018 B13R1.84 COCSCc1ncccc1C#N 62a_100000766300_100000099805 [0,2,0,0,0,0|2,0,0]=4 31019 B13R1.84 COc1ccccc1CCCO[13CH3] 34a_100011709264_200025704644 [0,2,0,0,0,0|2,0,0]=4 31020 B13R1.84 COc1ccccc1CCCO[13CH3] 7a_100011709264_200025704644 [0,2,0,0,0,0|2,0,0]=4 31021 B13R1.84 COc1cccnc1CNCCO 207a_100000210304_100011912573 [0,2,0,0,0,0|2,0,0]=4 31022 B13R1.84 COc1cccnc1CNCCO 270004a_100000210304_100011912573 [0,2,0,0,0,0|2,0,0]=4 31023 B13R1.84 COc1cccnc1COCCF 34a_100011998681_100011217306 [0,2,0,0,0,0|2,0,0]=4 31024 B13R1.84 COc1cccnc1COCCO 34a_100011998681_100000211926 [0,2,0,0,0,0|2,0,0]=4 31025 B13R1.84 COc1cccnc1COCSC 34a_100011998681_100011218213 [0,2,0,0,0,0|2,0,0]=4 31026 B13R1.84 COc1cccnc1OCCCF 34a_100025773188_100011934791 [0,2,0,0,0,0|2,0,0]=4 31027 B13R1.84 COc1cccnc1OCCCO 34a_100025773188_100000230001 [0,2,0,0,0,0|2,0,0]=4 31028 B13R1.84 COc1cccnc1OCCSC 34a_100025773188_100000212216 [0,2,0,0,0,0|2,0,0]=4 31029 B13R1.84 COc1cccnc1SCCCF 62a_100000767102_100011934791 [0,2,0,0,0,0|2,0,0]=4 31030 B13R1.84 COc1cccnc1SCCCF 62a_100011934791_100000690851 [0,2,0,0,0,0|2,0,0]=4 31031 B13R1.84 COc1cccnc1SCCCO 62a_100000767102_100011215043 [0,2,0,0,0,0|2,0,0]=4 31032 B13R1.84 COc1cccnc1SCCCO 62a_100011215043_100000690851 [0,2,0,0,0,0|2,0,0]=4 31033 B13R1.84 COc1cccnc1SCCSC 62a_100000212216_100000690851 [0,2,0,0,0,0|2,0,0]=4 31034 B13R1.84 COc1cccnc1SCCSC 62a_100000767102_100000751147 [0,2,0,0,0,0|2,0,0]=4 31035 B13R1.84 CSCCNc1ncccc1C#N 27a_100020590264_100000211984 [0,2,0,0,0,0|2,0,0]=4 31036 B13R1.84 CSCCSc1ncccc1C#N 62a_100000212216_100000211984 [0,2,0,0,0,0|2,0,0]=4 31037 B13R1.84 CSCCSc1ncccc1C=O 62a_100000212216_100009816751 [0,2,0,0,0,0|2,0,0]=4 31038 B13R1.84 CSCCSc1ncccc1C=O 62a_100009816751_100000751147 [0,2,0,0,0,0|2,0,0]=4 31039 B13R1.84 CSCCSc1ncccc1CN 62a_100000212216_100015189234 [0,2,0,0,0,0|2,0,0]=4 31040 B13R1.84 CSCCSc1ncccc1CN 62a_100015189234_100000751147 [0,2,0,0,0,0|2,0,0]=4 31041 B13R1.84 CSCCSc1ncccc1CO 62a_100000212216_100000748726 [0,2,0,0,0,0|2,0,0]=4 31042 B13R1.84 CSCCSc1ncccc1CO 62a_100000748726_100000751147 [0,2,0,0,0,0|2,0,0]=4 31043 B13R1.84 CSCSCc1ncccc1C#N 62a_100011218213_100000099805 [0,2,0,0,0,0|2,0,0]=4 31044 B13R1.84 CSc1ccccc1CCCCO 62a_100012092669_200000210301 [0,2,0,0,0,0|2,0,0]=4 31045 B13R1.84 CSc1ccccc1CCCCO 62a_200000210301_100012092669 [0,2,0,0,0,0|2,0,0]=4 31046 B13R1.84 N#Cc1cccnc1CNCCO 2230a_100016997473_100000099805 [0,2,0,0,0,0|2,0,0]=4 31047 B13R1.84 N#Cc1cccnc1CSCCF 62a_100011217306_100000099805 [0,2,0,0,0,0|2,0,0]=4 31048 B13R1.84 N#Cc1cccnc1CSCCO 62a_100000211926_100000099805 [0,2,0,0,0,0|2,0,0]=4 31049 B13R1.84 N#Cc1cccnc1NCCCF 27a_100015189416_100000211984 [0,2,0,0,0,0|2,0,0]=4 31050 B13R1.84 N#Cc1cccnc1NCCCO 27a_100000182051_100000211984 [0,2,0,0,0,0|2,0,0]=4 31051 B13R1.84 N#Cc1cccnc1SCCCF 62a_100011934791_100000211984 [0,2,0,0,0,0|2,0,0]=4 31052 B13R1.84 N#Cc1cccnc1SCCCO 62a_100011215043_100000211984 [0,2,0,0,0,0|2,0,0]=4 31053 B13R1.84 NCc1cccnc1SCCCF 62a_100011934791_100015189234 [0,2,0,0,0,0|2,0,0]=4 31054 B13R1.84 NCc1cccnc1SCCCF 62a_100015189234_100011934791 [0,2,0,0,0,0|2,0,0]=4 31055 B13R1.84 NCc1cccnc1SCCCO 62a_100011215043_100015189234 [0,2,0,0,0,0|2,0,0]=4 31056 B13R1.84 NCc1cccnc1SCCCO 62a_100015189234_100011215043 [0,2,0,0,0,0|2,0,0]=4 31057 B13R1.84 O=Cc1cccnc1SCCCF 62a_100009816751_100011934791 [0,2,0,0,0,0|2,0,0]=4 31058 B13R1.84 O=Cc1cccnc1SCCCF 62a_100011934791_100009816751 [0,2,0,0,0,0|2,0,0]=4 31059 B13R1.84 O=Cc1cccnc1SCCCO 62a_100009816751_100011215043 [0,2,0,0,0,0|2,0,0]=4 31060 B13R1.84 O=Cc1cccnc1SCCCO 62a_100011215043_100009816751 [0,2,0,0,0,0|2,0,0]=4 31061 B13R1.84 OCCCSc1ncccc1CO 62a_100000748726_100011215043 [0,2,0,0,0,0|2,0,0]=4 31062 B13R1.84 OCCCSc1ncccc1CO 62a_100011215043_100000748726 [0,2,0,0,0,0|2,0,0]=4 31063 B13R1.84 OCc1cccnc1SCCCF 62a_100000748726_100011934791 [0,2,0,0,0,0|2,0,0]=4 31064 B13R1.84 OCc1cccnc1SCCCF 62a_100011934791_100000748726 [0,2,0,0,0,0|2,0,0]=4 31065 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_100012092669_200025704644 [0,2,0,0,0,0|2,0,0]=4 31066 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_200025704644_100012092669 [0,2,0,0,0,0|2,0,0]=4 31067 B13R1.8919 CCCCNc1c(cccc1Br)Br 34a_100000690995_100000210210 [0,2,0,0,0,0|2,0,0]=4 31068 B13R1.8919 CCCCNc1c(cccc1Br)C 34a_100011834072_100000210210 [0,2,0,0,0,0|2,0,0]=4 31069 B13R1.8919 CCCCNc1c(cccc1Br)Cl 34a_100102946385_100000210210 [0,2,0,0,0,0|2,0,0]=4 31070 B13R1.8919 CCCCNc1c(cccc1Br)F 34a_100000684712_100000210210 [0,2,0,0,0,0|2,0,0]=4 31071 B13R1.8919 CCCCNc1c(cccc1Br)O 34a_100011934926_100000210210 [0,2,0,0,0,0|2,0,0]=4 31072 B13R1.8919 CCCCNc1c(cccc1C)C 34a_100000185769_100000210210 [0,2,0,0,0,0|2,0,0]=4 31073 B13R1.8919 CCCCNc1c(cccc1Cl)C 34a_100000756524_100000210210 [0,2,0,0,0,0|2,0,0]=4 31074 B13R1.8919 CCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000210210 [0,2,0,0,0,0|2,0,0]=4 31075 B13R1.8919 CCCCNc1c(cccc1Cl)F 34a_100000760031_100000210210 [0,2,0,0,0,0|2,0,0]=4 31076 B13R1.8919 CCCCNc1c(cccc1Cl)O 34a_100012022510_100000210210 [0,2,0,0,0,0|2,0,0]=4 31077 B13R1.8919 CCCCNc1c(cccc1F)C 34a_100000766463_100000210210 [0,2,0,0,0,0|2,0,0]=4 31078 B13R1.8919 CCCCNc1c(cccc1F)F 2230a_100000210704_100000210211 [0,2,0,0,0,0|2,0,0]=4 31079 B13R1.8919 CCCCNc1c(cccc1F)F 34a_100000210704_100000210210 [0,2,0,0,0,0|2,0,0]=4 31080 B13R1.8919 CCCCNc1c(cccc1F)O 34a_100020591140_100000210210 [0,2,0,0,0,0|2,0,0]=4 31081 B13R1.8919 CCCCNc1c(cccc1I)F 34a_100000042321_100000210210 [0,2,0,0,0,0|2,0,0]=4 31082 B13R1.8919 CCCCNc1c(cccc1O)C 34a_100000743429_100000210210 [0,2,0,0,0,0|2,0,0]=4 31083 B13R1.8919 CCCCOc1c(cccc1Br)Br 34a_100000736428_100000210210 [0,2,0,0,0,0|2,0,0]=4 31084 B13R1.8919 CCCCOc1c(cccc1Br)Br 7a_100000736428_100000210211 [0,2,0,0,0,0|2,0,0]=4 31085 B13R1.8919 CCCCOc1c(cccc1Br)C 34a_100009817157_100000210210 [0,2,0,0,0,0|2,0,0]=4 31086 B13R1.8919 CCCCOc1c(cccc1Br)C 7a_100009817157_100000210211 [0,2,0,0,0,0|2,0,0]=4 31087 B13R1.8919 CCCCOc1c(cccc1Br)Cl 34a_100010214474_100000210210 [0,2,0,0,0,0|2,0,0]=4 31088 B13R1.8919 CCCCOc1c(cccc1Br)Cl 7a_100010214474_100000210211 [0,2,0,0,0,0|2,0,0]=4 31089 B13R1.8919 CCCCOc1c(cccc1Br)F 34a_100009813666_100000210210 [0,2,0,0,0,0|2,0,0]=4 31090 B13R1.8919 CCCCOc1c(cccc1Br)F 7a_100009813666_100000210211 [0,2,0,0,0,0|2,0,0]=4 31091 B13R1.8919 CCCCOc1c(cccc1Br)N 34a_100011934915_100000210210 [0,2,0,0,0,0|2,0,0]=4 31092 B13R1.8919 CCCCOc1c(cccc1C)C 34a_100000210341_100000210210 [0,2,0,0,0,0|2,0,0]=4 31093 B13R1.8919 CCCCOc1c(cccc1C)C 7a_100000210341_100000210211 [0,2,0,0,0,0|2,0,0]=4 31094 B13R1.8919 CCCCOc1c(cccc1Cl)C 34a_100000033731_100000210210 [0,2,0,0,0,0|2,0,0]=4 31095 B13R1.8919 CCCCOc1c(cccc1Cl)C 7a_100000033731_100000210211 [0,2,0,0,0,0|2,0,0]=4 31096 B13R1.8919 CCCCOc1c(cccc1Cl)Cl 34a_100000211709_100000210210 [0,2,0,0,0,0|2,0,0]=4 31097 B13R1.8919 CCCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210211 [0,2,0,0,0,0|2,0,0]=4 31098 B13R1.8919 CCCCOc1c(cccc1Cl)F 34a_100000694953_100000210210 [0,2,0,0,0,0|2,0,0]=4 31099 B13R1.8919 CCCCOc1c(cccc1Cl)F 7a_100000694953_100000210211 [0,2,0,0,0,0|2,0,0]=4 31100 B13R1.8919 CCCCOc1c(cccc1Cl)N 34a_100000754742_100000210210 [0,2,0,0,0,0|2,0,0]=4 31101 B13R1.8919 CCCCOc1c(cccc1F)C 34a_100011659162_100000210210 [0,2,0,0,0,0|2,0,0]=4 31102 B13R1.8919 CCCCOc1c(cccc1F)C 7a_100011659162_100000210211 [0,2,0,0,0,0|2,0,0]=4 31103 B13R1.8919 CCCCOc1c(cccc1F)F 34a_100000230165_100000210210 [0,2,0,0,0,0|2,0,0]=4 31104 B13R1.8919 CCCCOc1c(cccc1F)F 7a_100000230165_100000210211 [0,2,0,0,0,0|2,0,0]=4 31105 B13R1.8919 CCCCOc1c(cccc1F)N 34a_100011934987_100000210210 [0,2,0,0,0,0|2,0,0]=4 31106 B13R1.8919 CCCCOc1c(cccc1I)Br 34a_100010084509_100000210210 [0,2,0,0,0,0|2,0,0]=4 31107 B13R1.8919 CCCCOc1c(cccc1I)Br 7a_100010084509_100000210211 [0,2,0,0,0,0|2,0,0]=4 31108 B13R1.8919 CCCCOc1c(cccc1I)Cl 34a_100010202889_100000210210 [0,2,0,0,0,0|2,0,0]=4 31109 B13R1.8919 CCCCOc1c(cccc1I)Cl 7a_100010202889_100000210211 [0,2,0,0,0,0|2,0,0]=4 31110 B13R1.8919 CCCCOc1c(cccc1I)F 34a_100010186298_100000210210 [0,2,0,0,0,0|2,0,0]=4 31111 B13R1.8919 CCCCOc1c(cccc1I)F 7a_100010186298_100000210211 [0,2,0,0,0,0|2,0,0]=4 31112 B13R1.8919 CCCCOc1c(cccc1I)N 34a_100010084371_100000210210 [0,2,0,0,0,0|2,0,0]=4 31113 B13R1.8919 CCCCOc1c(cccc1N)C 34a_100000756359_100000210210 [0,2,0,0,0,0|2,0,0]=4 31114 B13R1.8919 CCCCOc1c(cccc1N)C 7a_100000756359_100000210211 [0,2,0,0,0,0|2,0,0]=4 31115 B13R1.8919 CCCCOc1c(cccc1N)N 34a_200016994477_100000210210 [0,2,0,0,0,0|2,0,0]=4 31116 B13R1.8919 CCCCSc1c(ccc[n+]1[O-])C 62a_100000210211_100116209805 [0,2,0,0,0,0|1,0,1]=4 31117 B13R1.8919 CCCCSc1c(cccc1Br)Br 62a_100000210211_100009994525 [0,2,0,0,0,0|2,0,0]=4 31118 B13R1.8919 CCCCSc1c(cccc1Br)Br 62a_100009994525_100000210210 [0,2,0,0,0,0|2,0,0]=4 31119 B13R1.8919 CCCCSc1c(cccc1Br)C 62a_100000210211_100010141302 [0,2,0,0,0,0|2,0,0]=4 31120 B13R1.8919 CCCCSc1c(cccc1Br)C 62a_100010141302_100000210210 [0,2,0,0,0,0|2,0,0]=4 31121 B13R1.8919 CCCCSc1c(cccc1Br)Cl 62a_100000210211_100010214488 [0,2,0,0,0,0|2,0,0]=4 31122 B13R1.8919 CCCCSc1c(cccc1Br)Cl 62a_100010214488_100000210210 [0,2,0,0,0,0|2,0,0]=4 31123 B13R1.8919 CCCCSc1c(cccc1Br)F 62a_100000210211_100011219512 [0,2,0,0,0,0|2,0,0]=4 31124 B13R1.8919 CCCCSc1c(cccc1Br)F 62a_100011219512_100000210210 [0,2,0,0,0,0|2,0,0]=4 31125 B13R1.8919 CCCCSc1c(cccc1Br)N 62a_100000210211_100020590159 [0,2,0,0,0,0|2,0,0]=4 31126 B13R1.8919 CCCCSc1c(cccc1Br)N 62a_100020590159_100000210210 [0,2,0,0,0,0|2,0,0]=4 31127 B13R1.8919 CCCCSc1c(cccc1Br)O 62a_100000210211_100010187912 [0,2,0,0,0,0|2,0,0]=4 31128 B13R1.8919 CCCCSc1c(cccc1Br)O 62a_100010187912_100000210210 [0,2,0,0,0,0|2,0,0]=4 31129 B13R1.8919 CCCCSc1c(cccc1C)C 62a_100000033847_100000210210 [0,2,0,0,0,0|2,0,0]=4 31130 B13R1.8919 CCCCSc1c(cccc1C)C 62a_100000210211_100000033847 [0,2,0,0,0,0|2,0,0]=4 31131 B13R1.8919 CCCCSc1c(cccc1Cl)C 62a_100000043165_100000210210 [0,2,0,0,0,0|2,0,0]=4 31132 B13R1.8919 CCCCSc1c(cccc1Cl)C 62a_100000210211_100000043165 [0,2,0,0,0,0|2,0,0]=4 31133 B13R1.8919 CCCCSc1c(cccc1Cl)Cl 62a_100000034237_100000210210 [0,2,0,0,0,0|2,0,0]=4 31134 B13R1.8919 CCCCSc1c(cccc1Cl)Cl 62a_100000210211_100000034237 [0,2,0,0,0,0|2,0,0]=4 31135 B13R1.8919 CCCCSc1c(cccc1Cl)F 62a_100000050007_100000210210 [0,2,0,0,0,0|2,0,0]=4 31136 B13R1.8919 CCCCSc1c(cccc1Cl)F 62a_100000210211_100000050007 [0,2,0,0,0,0|2,0,0]=4 31137 B13R1.8919 CCCCSc1c(cccc1Cl)N 62a_100000049713_100000210210 [0,2,0,0,0,0|2,0,0]=4 31138 B13R1.8919 CCCCSc1c(cccc1Cl)N 62a_100000210211_100000049713 [0,2,0,0,0,0|2,0,0]=4 31139 B13R1.8919 CCCCSc1c(cccc1Cl)O 62a_100000210211_100000050174 [0,2,0,0,0,0|2,0,0]=4 31140 B13R1.8919 CCCCSc1c(cccc1F)C 62a_100000210211_100011218421 [0,2,0,0,0,0|2,0,0]=4 31141 B13R1.8919 CCCCSc1c(cccc1F)C 62a_100011218421_100000210210 [0,2,0,0,0,0|2,0,0]=4 31142 B13R1.8919 CCCCSc1c(cccc1F)F 62a_100000210211_100000693133 [0,2,0,0,0,0|2,0,0]=4 31143 B13R1.8919 CCCCSc1c(cccc1F)F 62a_100000693133_100000210210 [0,2,0,0,0,0|2,0,0]=4 31144 B13R1.8919 CCCCSc1c(cccc1F)N 62a_100000210211_100000690935 [0,2,0,0,0,0|2,0,0]=4 31145 B13R1.8919 CCCCSc1c(cccc1F)N 62a_100000690935_100000210210 [0,2,0,0,0,0|2,0,0]=4 31146 B13R1.8919 CCCCSc1c(cccc1F)O 62a_100000210211_100009820682 [0,2,0,0,0,0|2,0,0]=4 31147 B13R1.8919 CCCCSc1c(cccc1F)O 62a_100009820682_100000210210 [0,2,0,0,0,0|2,0,0]=4 31148 B13R1.8919 CCCCSc1c(cccc1N)C 62a_100000210211_100000684715 [0,2,0,0,0,0|2,0,0]=4 31149 B13R1.8919 CCCCSc1c(cccc1N)C 62a_100000684715_100000210210 [0,2,0,0,0,0|2,0,0]=4 31150 B13R1.8919 CCCCSc1c(cccc1O)C 62a_100000210211_100000686692 [0,2,0,0,0,0|2,0,0]=4 31151 B13R1.8919 CCCCSc1c(cccc1O)C 62a_100000686692_100000210210 [0,2,0,0,0,0|2,0,0]=4 31152 B13R1.8919 CCCCSc1c(cccc1O)N 62a_100000210211_100012183704 [0,2,0,0,0,0|2,0,0]=4 31153 B13R1.8919 CCCCSc1c(cccc1O)N 62a_100012183704_100000210210 [0,2,0,0,0,0|2,0,0]=4 31154 B13R1.8919 CCCCSc1c(cccc1O)O 62a_100000210211_100010205330 [0,2,0,0,0,0|2,0,0]=4 31155 B13R1.8919 CCCNCc1c(cccc1Br)Br 207a_100020643023_100010233043 [0,2,0,0,0,0|2,0,0]=4 31156 B13R1.8919 CCCNCc1c(cccc1Br)Br 270004a_100020643023_100010233043 [0,2,0,0,0,0|2,0,0]=4 31157 B13R1.8919 CCCNCc1c(cccc1Br)C 207a_100020643023_100009881667 [0,2,0,0,0,0|2,0,0]=4 31158 B13R1.8919 CCCNCc1c(cccc1Br)C 270004a_100020643023_100009881667 [0,2,0,0,0,0|2,0,0]=4 31159 B13R1.8919 CCCNCc1c(cccc1Br)Cl 207a_100020643023_100011249081 [0,2,0,0,0,0|2,0,0]=4 31160 B13R1.8919 CCCNCc1c(cccc1Br)Cl 270004a_100020643023_100011249081 [0,2,0,0,0,0|2,0,0]=4 31161 B13R1.8919 CCCNCc1c(cccc1Br)F 207a_100020643023_100000752695 [0,2,0,0,0,0|2,0,0]=4 31162 B13R1.8919 CCCNCc1c(cccc1Br)F 270004a_100020643023_100000752695 [0,2,0,0,0,0|2,0,0]=4 31163 B13R1.8919 CCCNCc1c(cccc1Br)F 34a_100012349121_100000210303 [0,2,0,0,0,0|2,0,0]=4 31164 B13R1.8919 CCCNCc1c(cccc1C)C 207a_100020643023_100000758299 [0,2,0,0,0,0|2,0,0]=4 31165 B13R1.8919 CCCNCc1c(cccc1C)C 270004a_100020643023_100000758299 [0,2,0,0,0,0|2,0,0]=4 31166 B13R1.8919 CCCNCc1c(cccc1C)C 34a_100000689800_100000210303 [0,2,0,0,0,0|2,0,0]=4 31167 B13R1.8919 CCCNCc1c(cccc1Cl)C 207a_100020643023_100000041122 [0,2,0,0,0,0|2,0,0]=4 31168 B13R1.8919 CCCNCc1c(cccc1Cl)C 270004a_100020643023_100000041122 [0,2,0,0,0,0|2,0,0]=4 31169 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 207a_100020643023_100000189306 [0,2,0,0,0,0|2,0,0]=4 31170 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210303 [0,2,0,0,0,0|2,0,0]=4 31171 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 270004a_100020643023_100000189306 [0,2,0,0,0,0|2,0,0]=4 31172 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000210303 [0,2,0,0,0,0|2,0,0]=4 31173 B13R1.8919 CCCNCc1c(cccc1Cl)F 207a_100020643023_100000210083 [0,2,0,0,0,0|2,0,0]=4 31174 B13R1.8919 CCCNCc1c(cccc1Cl)F 270004a_100020643023_100000210083 [0,2,0,0,0,0|2,0,0]=4 31175 B13R1.8919 CCCNCc1c(cccc1Cl)F 34a_100000174883_100000210303 [0,2,0,0,0,0|2,0,0]=4 31176 B13R1.8919 CCCNCc1c(cccc1F)C 207a_100020643023_100000069827 [0,2,0,0,0,0|2,0,0]=4 31177 B13R1.8919 CCCNCc1c(cccc1F)C 270004a_100020643023_100000069827 [0,2,0,0,0,0|2,0,0]=4 31178 B13R1.8919 CCCNCc1c(cccc1F)C 34a_100000762012_100000210303 [0,2,0,0,0,0|2,0,0]=4 31179 B13R1.8919 CCCNCc1c(cccc1F)F 207a_100020643023_100000211061 [0,2,0,0,0,0|2,0,0]=4 31180 B13R1.8919 CCCNCc1c(cccc1F)F 270004a_100020643023_100000211061 [0,2,0,0,0,0|2,0,0]=4 31181 B13R1.8919 CCCNCc1c(cccc1F)F 34a_100000688400_100000210303 [0,2,0,0,0,0|2,0,0]=4 31182 B13R1.8919 CCCNCc1c(cccc1I)Cl 207a_100020643023_100010147682 [0,2,0,0,0,0|2,0,0]=4 31183 B13R1.8919 CCCNCc1c(cccc1I)Cl 270004a_100020643023_100010147682 [0,2,0,0,0,0|2,0,0]=4 31184 B13R1.8919 CCCNCc1c(cccc1I)F 207a_100020643023_100010178011 [0,2,0,0,0,0|2,0,0]=4 31185 B13R1.8919 CCCNCc1c(cccc1I)F 270004a_100020643023_100010178011 [0,2,0,0,0,0|2,0,0]=4 31186 B13R1.8919 CCCOCc1c(cccc1Br)Br 34a_100010172814_100000210303 [0,2,0,0,0,0|2,0,0]=4 31187 B13R1.8919 CCCOCc1c(cccc1Br)Br 7a_100010172814_100000210303 [0,2,0,0,0,0|2,0,0]=4 31188 B13R1.8919 CCCOCc1c(cccc1Br)C 34a_100000210258_100010146847 [0,2,0,0,0,0|2,0,0]=4 31189 B13R1.8919 CCCOCc1c(cccc1Br)Cl 34a_100000210258_100010138402 [0,2,0,0,0,0|2,0,0]=4 31190 B13R1.8919 CCCOCc1c(cccc1Br)F 34a_100000210258_100012145669 [0,2,0,0,0,0|2,0,0]=4 31191 B13R1.8919 CCCOCc1c(cccc1Br)F 34a_100012355691_100000210303 [0,2,0,0,0,0|2,0,0]=4 31192 B13R1.8919 CCCOCc1c(cccc1Br)F 7a_100012355691_100000210303 [0,2,0,0,0,0|2,0,0]=4 31193 B13R1.8919 CCCOCc1c(cccc1Br)N 34a_100000747656_100000210303 [0,2,0,0,0,0|2,0,0]=4 31194 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100000210258_100000758300 [0,2,0,0,0,0|2,0,0]=4 31195 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100011933981_100000210303 [0,2,0,0,0,0|2,0,0]=4 31196 B13R1.8919 CCCOCc1c(cccc1C)C 7a_100011933981_100000210303 [0,2,0,0,0,0|2,0,0]=4 31197 B13R1.8919 CCCOCc1c(cccc1Cl)C 34a_100000082531_100000210303 [0,2,0,0,0,0|2,0,0]=4 31198 B13R1.8919 CCCOCc1c(cccc1Cl)C 7a_100000082531_100000210303 [0,2,0,0,0,0|2,0,0]=4 31199 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 34a_100000210258_100000187851 [0,2,0,0,0,0|2,0,0]=4 31200 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 34a_100000215722_100000210303 [0,2,0,0,0,0|2,0,0]=4 31201 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 7a_100000215722_100000210303 [0,2,0,0,0,0|2,0,0]=4 31202 B13R1.8919 CCCOCc1c(cccc1Cl)F 34a_100000210258_100000187852 [0,2,0,0,0,0|2,0,0]=4 31203 B13R1.8919 CCCOCc1c(cccc1Cl)F 34a_100000215723_100000210303 [0,2,0,0,0,0|2,0,0]=4 31204 B13R1.8919 CCCOCc1c(cccc1Cl)F 7a_100000215723_100000210303 [0,2,0,0,0,0|2,0,0]=4 31205 B13R1.8919 CCCOCc1c(cccc1Cl)N 34a_100011916388_100000210303 [0,2,0,0,0,0|2,0,0]=4 31206 B13R1.8919 CCCOCc1c(cccc1F)C 34a_100000057874_100000210303 [0,2,0,0,0,0|2,0,0]=4 31207 B13R1.8919 CCCOCc1c(cccc1F)C 34a_100000210258_100009814554 [0,2,0,0,0,0|2,0,0]=4 31208 B13R1.8919 CCCOCc1c(cccc1F)C 7a_100000057874_100000210303 [0,2,0,0,0,0|2,0,0]=4 31209 B13R1.8919 CCCOCc1c(cccc1F)F 34a_100000210258_100000698325 [0,2,0,0,0,0|2,0,0]=4 31210 B13R1.8919 CCCOCc1c(cccc1F)F 34a_100000698215_100000210303 [0,2,0,0,0,0|2,0,0]=4 31211 B13R1.8919 CCCOCc1c(cccc1F)F 7a_100000698215_100000210303 [0,2,0,0,0,0|2,0,0]=4 31212 B13R1.8919 CCCOCc1c(cccc1F)N 34a_100011846719_100000210303 [0,2,0,0,0,0|2,0,0]=4 31213 B13R1.8919 CCCOCc1c(cccc1I)Br 34a_100000210258_100010146611 [0,2,0,0,0,0|2,0,0]=4 31214 B13R1.8919 CCCOCc1c(cccc1I)C 34a_100000210258_100010150146 [0,2,0,0,0,0|2,0,0]=4 31215 B13R1.8919 CCCOCc1c(cccc1I)F 34a_100000210258_100010149602 [0,2,0,0,0,0|2,0,0]=4 31216 B13R1.8919 CCCOCc1c(cccc1I)F 34a_100010214973_100000210303 [0,2,0,0,0,0|2,0,0]=4 31217 B13R1.8919 CCCOCc1c(cccc1I)F 7a_100010214973_100000210303 [0,2,0,0,0,0|2,0,0]=4 31218 B13R1.8919 CCCSCc1c(cccc1Br)C 62a_100000210303_100010146847 [0,2,0,0,0,0|2,0,0]=4 31219 B13R1.8919 CCCSCc1c(cccc1Br)C 62a_100010146847_100000210303 [0,2,0,0,0,0|2,0,0]=4 31220 B13R1.8919 CCCSCc1c(cccc1Br)Cl 62a_100000210303_100010138402 [0,2,0,0,0,0|2,0,0]=4 31221 B13R1.8919 CCCSCc1c(cccc1Br)Cl 62a_100010138402_100000210303 [0,2,0,0,0,0|2,0,0]=4 31222 B13R1.8919 CCCSCc1c(cccc1Br)F 62a_100000210303_100012145669 [0,2,0,0,0,0|2,0,0]=4 31223 B13R1.8919 CCCSCc1c(cccc1Br)F 62a_100012145669_100000210303 [0,2,0,0,0,0|2,0,0]=4 31224 B13R1.8919 CCCSCc1c(cccc1C)C 62a_100000210303_100000758300 [0,2,0,0,0,0|2,0,0]=4 31225 B13R1.8919 CCCSCc1c(cccc1C)C 62a_100000758300_100000210303 [0,2,0,0,0,0|2,0,0]=4 31226 B13R1.8919 CCCSCc1c(cccc1Cl)Cl 62a_100000187851_100000210303 [0,2,0,0,0,0|2,0,0]=4 31227 B13R1.8919 CCCSCc1c(cccc1Cl)Cl 62a_100000210303_100000187851 [0,2,0,0,0,0|2,0,0]=4 31228 B13R1.8919 CCCSCc1c(cccc1Cl)F 62a_100000187852_100000210303 [0,2,0,0,0,0|2,0,0]=4 31229 B13R1.8919 CCCSCc1c(cccc1Cl)F 62a_100000210303_100000187852 [0,2,0,0,0,0|2,0,0]=4 31230 B13R1.8919 CCCSCc1c(cccc1F)C 62a_100000210303_100009814554 [0,2,0,0,0,0|2,0,0]=4 31231 B13R1.8919 CCCSCc1c(cccc1F)C 62a_100009814554_100000210303 [0,2,0,0,0,0|2,0,0]=4 31232 B13R1.8919 CCCSCc1c(cccc1F)F 62a_100000210303_100000698325 [0,2,0,0,0,0|2,0,0]=4 31233 B13R1.8919 CCCSCc1c(cccc1F)F 62a_100000709179_100000210303 [0,2,0,0,0,0|2,0,0]=4 31234 B13R1.8919 CCCSCc1c(cccc1I)Br 62a_100000210303_100010146611 [0,2,0,0,0,0|2,0,0]=4 31235 B13R1.8919 CCCSCc1c(cccc1I)Br 62a_100010146611_100000210303 [0,2,0,0,0,0|2,0,0]=4 31236 B13R1.8919 CCCSCc1c(cccc1I)C 62a_100000210303_100010150146 [0,2,0,0,0,0|2,0,0]=4 31237 B13R1.8919 CCCSCc1c(cccc1I)C 62a_100010150146_100000210303 [0,2,0,0,0,0|2,0,0]=4 31238 B13R1.8919 CCCSCc1c(cccc1I)F 62a_100000210303_100010149602 [0,2,0,0,0,0|2,0,0]=4 31239 B13R1.8919 CCCSCc1c(cccc1I)F 62a_100010149602_100000210303 [0,2,0,0,0,0|2,0,0]=4 31240 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 2230a_100015525214_100012161200 [0,2,0,0,0,0|2,0,0]=4 31241 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100000210202 [0,2,0,0,0,0|2,0,0]=4 31242 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 34a_100032004868_100000210202 [0,2,0,0,0,0|2,0,0]=4 31243 B13R1.8919 CCNCCc1c(cccc1Cl)F 2230a_100000688150_100000210202 [0,2,0,0,0,0|2,0,0]=4 31244 B13R1.8919 CCNCCc1c(cccc1Cl)F 34a_100000688150_100000210202 [0,2,0,0,0,0|2,0,0]=4 31245 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 34a_100011934077_100000210202 [0,2,0,0,0,0|2,0,0]=4 31246 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 34a_100121572206_100012161200 [0,2,0,0,0,0|2,0,0]=4 31247 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 7a_100011934077_100000210202 [0,2,0,0,0,0|2,0,0]=4 31248 B13R1.8919 CCOCCc1c(cccc1Cl)F 34a_100011273940_100000210202 [0,2,0,0,0,0|2,0,0]=4 31249 B13R1.8919 CCOCCc1c(cccc1Cl)F 7a_100011273940_100000210202 [0,2,0,0,0,0|2,0,0]=4 31250 B13R1.8919 CCOCCc1c(cccc1F)F 34a_100011975733_100000210202 [0,2,0,0,0,0|2,0,0]=4 31251 B13R1.8919 CCOCCc1c(cccc1F)F 7a_100011975733_100000210202 [0,2,0,0,0,0|2,0,0]=4 31252 B13R1.8919 CCSCCc1c(cccc1Cl)Cl 62a_100000210202_100012161200 [0,2,0,0,0,0|2,0,0]=4 31253 B13R1.8919 CCSCCc1c(cccc1Cl)Cl 62a_100012161200_100000210202 [0,2,0,0,0,0|2,0,0]=4 31254 B13R1.8919 COCCCc1c(cccc1Br)F 34a_100021413403_200000210301 [0,2,0,0,0,0|2,0,0]=4 31255 B13R1.8919 COCCCc1c(cccc1Br)F 7a_100021413403_200000210301 [0,2,0,0,0,0|2,0,0]=4 31256 B13R1.8919 [13CH3]OCCCc1c(cccc1Br)F 34a_100021413403_200025704644 [0,2,0,0,0,0|2,0,0]=4 31257 B13R1.8919 [13CH3]OCCCc1c(cccc1Br)F 7a_100021413403_200025704644 [0,2,0,0,0,0|2,0,0]=4 31258 B11R1.18 C=Cc1nccn1COCC 271570a_100011290941_100000040581 [0,0,1,1,0,0|2,0,0]=4 31259 B11R1.18 C=Cc1sccc1CCCC 271570a_100011290941_100010071534 [0,0,1,1,0,0|1,0,1]=4 31260 B11R1.41 C=Cc1cncnc1CCC 271570a_100011290941_100009816987 [0,0,1,1,0,0|1,0,1]=4 31261 B11R1.284 C=CC=CC(=O)CC1CCC1 1458a_100016291481_100000763275 [0,0,1,1,0,0|1,0,0]=3 31262 B11R1.284 C=CC=CC(=O)CC1CCO1 1458a_100016291481_100000103362 [0,0,1,1,0,0|2,0,0]=4 31263 B11R1.284 C=CC=CC(=O)CC1COC1 1458a_100016291481_100010264016 [0,0,1,1,0,0|2,0,0]=4 31264 B11R1.284 C=CC=CC(=O)NC1CCC1 1626a_100000749019_100016291481 [0,0,1,1,0,0|2,0,0]=4 31265 B11R1.285 C=CC=CC(=O)CCC1CC1 1458a_100016291481_100000694398 [0,0,1,1,0,0|1,0,0]=3 31266 B11R1.285 C=CC=CC(=O)CCC1CO1 1458a_100016291481_100000732470 [0,0,1,1,0,0|2,0,0]=4 31267 B11R1.285 C=CC=CC(=O)NCC1CC1 1626a_100000735609_100016291481 [0,0,1,1,0,0|2,0,0]=4 31268 B11R2.238 c1cc(ncn1)NC2CC2 27a_100000212008_100000703185 [1,0,0,1,0,0|2,0,0]=4 31269 B11R2.238 c1cc(ncn1)SC2CC2 62a_100000703185_100000211595 [1,0,0,1,0,0|2,0,0]=4 31270 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 31271 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|2,0,0]=4 31272 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|2,0,0]=4 31273 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [1,0,0,1,0,0|1,0,0]=3 31274 B11R2.238 c1cnc(cn1)NC2CC2 27a_100000212008_100000211759 [1,0,0,1,0,0|2,0,0]=4 31275 B11R2.238 c1cnc(cn1)SC2CC2 62a_100000211759_100000211595 [1,0,0,1,0,0|2,0,0]=4 31276 B11R2.238 c1cnc(nc1)NC2CC2 27a_100000212008_100000211032 [1,0,0,1,0,0|2,0,0]=4 31277 B11R2.238 c1cnc(nc1)SC2CC2 62a_100000211032_100000211595 [1,0,0,1,0,0|2,0,0]=4 31278 B11R2.238 c1cnnc(c1)NC2CC2 27a_100000212008_100016991348 [1,0,0,1,0,0|2,0,0]=4 31279 B11R2.238 c1cnnc(c1)SC2CC2 62a_100016991348_100000211595 [1,0,0,1,0,0|2,0,0]=4 31280 B11R2.239 c1cc(ncn1)N2CCC2 27a_100000754969_100000703185 [1,0,0,1,0,0|2,0,0]=4 31281 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [1,0,0,1,0,0|2,0,0]=4 31282 B11R2.239 c1cnc(nc1)N2CCC2 27a_100000754969_100000211032 [1,0,0,1,0,0|2,0,0]=4 31283 B11R2.239 c1cnnc(c1)N2CCC2 27a_100000754969_100016991348 [1,0,0,1,0,0|2,0,0]=4 31284 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|2,0,0]=4 31285 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|2,0,0]=4 31286 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|2,0,0]=4 31287 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|2,0,0]=4 31288 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|2,0,0]=4 31289 B11R2.191 CNC1CCc2c1ccs2 269862a_106832991636_100000011361 [0,0,0,1,1,0|2,0,0]=4 31290 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [0,0,0,1,1,0|2,0,0]=4 31291 B11R2.237 c1c[nH]c(n1)CN2CCC2 269982a_100000754969_100016991755 [0,0,0,1,1,0|2,0,0]=4 31292 B11R2.237 c1c[nH]c(n1)SC2CCC2 62a_100025796157_100000749161 [0,0,0,1,1,0|2,0,0]=4 31293 B11R2.237 c1cc(co1)SC2CCC2 62a_100011215275_100000749161 [0,0,0,1,1,0|2,0,0]=4 31294 B11R2.237 c1cc(cs1)CN2CCC2 269982a_100000754969_100011233845 [0,0,0,1,1,0|2,0,0]=4 31295 B11R2.237 c1cc(cs1)OC2CCC2 34a_100000106738_100000749161 [0,0,0,1,1,0|2,0,0]=4 31296 B11R2.237 c1cc(cs1)SC2CCC2 62a_100000738268_100000749161 [0,0,0,1,1,0|2,0,0]=4 31297 B11R2.237 c1cc(n[nH]1)SC2CCC2 62a_100000062575_100000749161 [0,0,0,1,1,0|2,0,0]=4 31298 B11R2.237 c1cc(no1)CN2CCC2 269982a_100000754969_100000234950 [0,0,0,1,1,0|2,0,0]=4 31299 B11R2.237 c1cc(no1)SC2CCC2 62a_100009818083_100000749161 [0,0,0,1,1,0|2,0,0]=4 31300 B11R2.237 c1cc(ns1)SC2CCC2 62a_100009818082_100000749161 [0,0,0,1,1,0|2,0,0]=4 31301 B11R2.237 c1coc(c1)SC2CCC2 62a_100009814098_100000749161 [0,0,0,1,1,0|2,0,0]=4 31302 B11R2.237 c1coc(n1)CN2CCC2 269982a_100000754969_103436540062 [0,0,0,1,1,0|2,0,0]=4 31303 B11R2.237 c1coc(n1)SC2CCC2 62a_100011787736_100000749161 [0,0,0,1,1,0|2,0,0]=4 31304 B11R2.237 c1csc(c1)SC2CCC2 62a_100011215356_100000749161 [0,0,0,1,1,0|2,0,0]=4 31305 B11R2.237 c1csc(n1)CN2CCC2 269982a_100000754969_100015184050 [0,0,0,1,1,0|2,0,0]=4 31306 B11R2.237 c1csc(n1)SC2CCC2 62a_100000211983_100000749161 [0,0,0,1,1,0|2,0,0]=4 31307 B11R2.237 c1nc(c[nH]1)CN2CCC2 269982a_100000754969_100000707719 [0,0,0,1,1,0|2,0,0]=4 31308 B11R2.237 c1nc(c[nH]1)SC2CCC2 62a_100000756875_100000749161 [0,0,0,1,1,0|2,0,0]=4 31309 B11R2.237 c1nc(cs1)CN2CCC2 269982a_100000754969_100000205941 [0,0,0,1,1,0|2,0,0]=4 31310 B11R2.237 c1nc(cs1)SC2CCC2 62a_100000751502_100000749161 [0,0,0,1,1,0|2,0,0]=4 31311 B11R2.385 c1c[nH]c(n1)CNC2CC2 34a_100000212008_100016991755 [0,0,0,1,1,0|2,0,0]=4 31312 B11R2.385 c1c[nH]c(n1)CSC2CC2 62a_100016991755_100000211595 [0,0,0,1,1,0|2,0,0]=4 31313 B11R2.385 c1c[nH]c(n1)SCC2CC2 62a_100000756562_100025796157 [0,0,0,1,1,0|2,0,0]=4 31314 B11R2.385 c1c[nH]c(n1)SCC2CC2 62a_100025796157_100000742324 [0,0,0,1,1,0|2,0,0]=4 31315 B11R2.385 c1cc(co1)CNC2CC2 34a_100015206860_100000211595 [0,0,0,1,1,0|2,0,0]=4 31316 B11R2.385 c1cc(co1)COC2CC2 34a_100011215357_100000211595 [0,0,0,1,1,0|2,0,0]=4 31317 B11R2.385 c1cc(co1)SCC2CC2 62a_100000756562_100011215275 [0,0,0,1,1,0|2,0,0]=4 31318 B11R2.385 c1cc(co1)SCC2CC2 62a_100011215275_100000742324 [0,0,0,1,1,0|2,0,0]=4 31319 B11R2.385 c1cc(cs1)CNC2CC2 34a_100000186416_100000211595 [0,0,0,1,1,0|2,0,0]=4 31320 B11R2.385 c1cc(cs1)CNC2CC2 34a_100000212008_100011261437 [0,0,0,1,1,0|2,0,0]=4 31321 B11R2.385 c1cc(cs1)COC2CC2 34a_100011215551_100000211595 [0,0,0,1,1,0|2,0,0]=4 31322 B11R2.385 c1cc(cs1)CSC2CC2 62a_100011261437_100000211595 [0,0,0,1,1,0|2,0,0]=4 31323 B11R2.385 c1cc(cs1)OCC2CC2 34a_100000106738_100000742324 [0,0,0,1,1,0|2,0,0]=4 31324 B11R2.385 c1cc(cs1)OCC2CC2 7a_100000106738_100000742324 [0,0,0,1,1,0|2,0,0]=4 31325 B11R2.385 c1cc(cs1)SCC2CC2 62a_100000738268_100000742324 [0,0,0,1,1,0|2,0,0]=4 31326 B11R2.385 c1cc(cs1)SCC2CC2 62a_100000756562_100000738268 [0,0,0,1,1,0|2,0,0]=4 31327 B11R2.385 c1cc(n[nH]1)SCC2CC2 62a_100000062575_100000742324 [0,0,0,1,1,0|2,0,0]=4 31328 B11R2.385 c1cc(n[nH]1)SCC2CC2 62a_100000756562_100000062575 [0,0,0,1,1,0|2,0,0]=4 31329 B11R2.385 c1cc(no1)CNC2CC2 34a_100000212008_100000234950 [0,0,0,1,1,0|2,0,0]=4 31330 B11R2.385 c1cc(no1)CSC2CC2 62a_100000234950_100000211595 [0,0,0,1,1,0|2,0,0]=4 31331 B11R2.385 c1cc(no1)SCC2CC2 62a_100000756562_100009818083 [0,0,0,1,1,0|2,0,0]=4 31332 B11R2.385 c1cc(no1)SCC2CC2 62a_100009818083_100000742324 [0,0,0,1,1,0|2,0,0]=4 31333 B11R2.385 c1cc(ns1)SCC2CC2 62a_100000756562_100009818082 [0,0,0,1,1,0|2,0,0]=4 31334 B11R2.385 c1cc(ns1)SCC2CC2 62a_100009818082_100000742324 [0,0,0,1,1,0|2,0,0]=4 31335 B11R2.385 c1cnn(c1)COC2CC2 34a_100000731028_100000211595 [0,0,0,1,1,0|2,0,0]=4 31336 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [0,0,0,1,1,0|2,0,0]=4 31337 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [0,0,0,1,1,0|2,0,0]=4 31338 B11R2.385 c1coc(c1)SCC2CC2 62a_100000756562_100009814098 [0,0,0,1,1,0|2,0,0]=4 31339 B11R2.385 c1coc(c1)SCC2CC2 62a_100009814098_100000742324 [0,0,0,1,1,0|2,0,0]=4 31340 B11R2.385 c1coc(n1)CNC2CC2 34a_100000212008_103436540062 [0,0,0,1,1,0|2,0,0]=4 31341 B11R2.385 c1coc(n1)COC2CC2 34a_100000062594_100000211595 [0,0,0,1,1,0|2,0,0]=4 31342 B11R2.385 c1coc(n1)CSC2CC2 62a_103436540062_100000211595 [0,0,0,1,1,0|2,0,0]=4 31343 B11R2.385 c1coc(n1)SCC2CC2 62a_100000756562_100011787736 [0,0,0,1,1,0|2,0,0]=4 31344 B11R2.385 c1coc(n1)SCC2CC2 62a_100011787736_100000742324 [0,0,0,1,1,0|2,0,0]=4 31345 B11R2.385 c1csc(c1)COC2CC2 34a_100000211240_100000211595 [0,0,0,1,1,0|2,0,0]=4 31346 B11R2.385 c1csc(c1)SCC2CC2 62a_100000756562_100011215356 [0,0,0,1,1,0|2,0,0]=4 31347 B11R2.385 c1csc(c1)SCC2CC2 62a_100011215356_100000742324 [0,0,0,1,1,0|2,0,0]=4 31348 B11R2.385 c1csc(n1)CNC2CC2 34a_100000212008_100015184050 [0,0,0,1,1,0|2,0,0]=4 31349 B11R2.385 c1csc(n1)CSC2CC2 62a_100015184050_100000211595 [0,0,0,1,1,0|2,0,0]=4 31350 B11R2.385 c1csc(n1)SCC2CC2 62a_100000211983_100000742324 [0,0,0,1,1,0|2,0,0]=4 31351 B11R2.385 c1csc(n1)SCC2CC2 62a_100000756562_100000211983 [0,0,0,1,1,0|2,0,0]=4 31352 B11R2.385 c1nc(c[nH]1)CNC2CC2 34a_100000212008_100000707719 [0,0,0,1,1,0|2,0,0]=4 31353 B11R2.385 c1nc(c[nH]1)CSC2CC2 62a_100000707719_100000211595 [0,0,0,1,1,0|2,0,0]=4 31354 B11R2.385 c1nc(c[nH]1)SCC2CC2 62a_100000756562_100000756875 [0,0,0,1,1,0|2,0,0]=4 31355 B11R2.385 c1nc(c[nH]1)SCC2CC2 62a_100000756875_100000742324 [0,0,0,1,1,0|2,0,0]=4 31356 B11R2.385 c1nc(cs1)CNC2CC2 34a_100000212008_100000205941 [0,0,0,1,1,0|2,0,0]=4 31357 B11R2.385 c1nc(cs1)CSC2CC2 62a_100000205941_100000211595 [0,0,0,1,1,0|2,0,0]=4 31358 B11R2.385 c1nc(cs1)SCC2CC2 62a_100000751502_100000742324 [0,0,0,1,1,0|2,0,0]=4 31359 B11R2.385 c1nc(cs1)SCC2CC2 62a_100000756562_100000751502 [0,0,0,1,1,0|2,0,0]=4 31360 B13R2.12 Brc1ccc(nc1)C2=CCCC2 271570a_100000089523_100000686858 [0,1,0,1,0,0|0,0,2]=4 31361 B13R2.12 Brc1ccc(nc1)N2CCCC2 27a_100000188435_100000686858 [0,1,0,1,0,0|1,0,0]=3 31362 B13R2.12 Brc1ccc(nc1)N2CCSC2 27a_100011215254_100000686858 [0,1,0,1,0,0|2,0,0]=4 31363 B13R2.12 Brc1cnc(cn1)N2CCCC2 27a_100000188435_100010187541 [0,1,0,1,0,0|2,0,0]=4 31364 B13R2.12 Brc1cnc(nc1)N2CCCC2 27a_100000188435_100000690281 [0,1,0,1,0,0|2,0,0]=4 31365 B13R2.12 Cc1ccc(nc1)C2=CCCC2 271570a_100000089523_100000754016 [0,1,0,1,0,0|0,0,2]=4 31366 B13R2.12 Cc1ccc(nn1)N2CCCC2 27a_100000188435_100000744512 [0,1,0,1,0,0|2,0,0]=4 31367 B13R2.12 Cc1cnc(cn1)N2CCCC2 27a_100000188435_100000074397 [0,1,0,1,0,0|2,0,0]=4 31368 B13R2.12 Cc1cnc(nc1)N2CCCC2 27a_100000188435_100000061069 [0,1,0,1,0,0|2,0,0]=4 31369 B13R2.12 Clc1ccc(nc1)C2=CCCC2 271570a_100000089523_100011356976 [0,1,0,1,0,0|0,0,2]=4 31370 B13R2.12 Clc1cnc(nc1)N2CCCC2 27a_100000188435_100011356929 [0,1,0,1,0,0|2,0,0]=4 31371 B13R2.12 Fc1ccc(nc1)C2=CCCC2 271570a_100000089523_100000744514 [0,1,0,1,0,0|0,0,2]=4 31372 B13R2.12 Fc1cnc(cn1)N2CCCC2 27a_100000188435_100009856528 [0,1,0,1,0,0|2,0,0]=4 31373 B13R2.12 Fc1cnc(nc1)N2CCCC2 27a_100000188435_100000685220 [0,1,0,1,0,0|2,0,0]=4 31374 B13R2.12 Nc1ccc(nc1)C2=CCCC2 271570a_100000089523_100000744251 [0,1,0,1,0,0|0,0,2]=4 31375 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [0,1,0,1,0,0|2,0,0]=4 31376 B13R2.12 Oc1ccc(cc1)N2CCCC2 271570a_203496583355_100011821362 [0,1,0,1,0,0|2,0,0]=4 31377 B13R2.12 Oc1ccc(nc1)C2=CCCC2 271570a_100000089523_100000685995 [0,1,0,1,0,0|0,0,2]=4 31378 B13R2.12 Oc1ccc(nc1)C2CCCN2 271570a_203496583355_100000728117 [0,1,0,1,0,0|1,0,0]=3 31379 B13R2.12 Oc1ccc(nc1)C2OCCO2 271570a_203496583355_100010170810 [0,1,0,1,0,0|2,0,0]=4 31380 B13R2.12 Oc1ccc(nc1)N2CCCC2 271570a_203496583355_100011465328 [0,1,0,1,0,0|1,0,0]=3 31381 B13R2.12 Oc1ccc(nn1)N2CCCC2 271570a_203496583355_100000215317 [0,1,0,1,0,0|2,0,0]=4 31382 B13R2.12 Oc1cnc(cn1)N2CCCC2 271570a_203496583355_100012356707 [0,1,0,1,0,0|2,0,0]=4 31383 B13R2.12 Oc1cnc(nc1)N2CCCC2 271570a_203496583355_100011397822 [0,1,0,1,0,0|2,0,0]=4 31384 B13R2.42 CNC1CC1c2ccc(cc2)Br 2230a_100000755575_200000210301 [0,1,0,1,0,0|2,0,0]=4 31385 B13R2.42 CNC1CC1c2ccc(cc2)Br 34a_100000755575_200000210301 [0,1,0,1,0,0|2,0,0]=4 31386 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200000210301 [0,1,0,1,0,0|2,0,0]=4 31387 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200000210301 [0,1,0,1,0,0|2,0,0]=4 31388 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 2230a_100000755575_200025704644 [0,1,0,1,0,0|2,0,0]=4 31389 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 34a_100000755575_200025704644 [0,1,0,1,0,0|2,0,0]=4 31390 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200025704644 [0,1,0,1,0,0|2,0,0]=4 31391 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200025704644 [0,1,0,1,0,0|2,0,0]=4 31392 B13R2.146 CC1CCN1c2ccc(cn2)Br 27a_100000755817_100000686858 [0,1,0,1,0,0|1,0,0]=3 31393 B13R2.146 CC1CCN1c2cnc(cn2)Br 27a_100000755817_100010187541 [0,1,0,1,0,0|2,0,0]=4 31394 B13R2.146 CC1CCN1c2cnc(cn2)F 27a_100000755817_100009856528 [0,1,0,1,0,0|2,0,0]=4 31395 B13R2.146 CC1CCN1c2ncc(cn2)Br 27a_100000755817_100000690281 [0,1,0,1,0,0|2,0,0]=4 31396 B13R2.146 CC1CCN1c2ncc(cn2)Cl 27a_100000755817_100011356929 [0,1,0,1,0,0|2,0,0]=4 31397 B13R2.146 CC1CCN1c2ncc(cn2)F 27a_100000755817_100000685220 [0,1,0,1,0,0|2,0,0]=4 31398 B13R2.146 Cc1ccc(nn1)N2CCC2C 27a_100000755817_100000744512 [0,1,0,1,0,0|2,0,0]=4 31399 B13R2.146 Cc1cnc(cn1)N2CCC2C 27a_100000755817_100000074397 [0,1,0,1,0,0|2,0,0]=4 31400 B13R2.146 Cc1cnc(nc1)N2CCC2C 27a_100000755817_100000061069 [0,1,0,1,0,0|2,0,0]=4 31401 B13R2.162 CC1CCNc2c1cc(cc2)O 271570a_203496583355_200013856564 [0,1,0,1,0,0|2,0,0]=4 31402 B13R2.162 NC1CCCc2c1cc(cc2)O 271570a_203496583355_100011742594 [0,1,0,1,0,0|2,0,0]=4 31403 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [0,1,0,1,0,0|2,0,0]=4 31404 B13R2.525 F[C@@H]1C[C@H]1Nc2ccc(cn2)Br 27a_100025746932_100000686858 [0,1,0,1,0,0|2,0,0]=4 31405 B13R2.525 F[C@H]1C[C@H]1Nc2ccc(cn2)Br 27a_100015190264_100000686858 [0,1,0,1,0,0|2,0,0]=4 31406 B13R2.527 Brc1ccc(cc1)CNC2CC2 34a_100000174875_100000211595 [0,1,0,1,0,0|2,0,0]=4 31407 B13R2.527 Brc1ccc(cc1)CNC2CC2 34a_100000212008_100000189115 [0,1,0,1,0,0|2,0,0]=4 31408 B13R2.527 Brc1ccc(cc1)COC2CC2 34a_100000695286_100000211595 [0,1,0,1,0,0|2,0,0]=4 31409 B13R2.527 Brc1ccc(cc1)CSC2CC2 62a_100000189115_100000211595 [0,1,0,1,0,0|2,0,0]=4 31410 B13R2.527 Brc1ccc(cc1)NCC2CC2 2230a_100000210018_100000742324 [0,1,0,1,0,0|2,0,0]=4 31411 B13R2.527 Brc1ccc(cc1)NCC2CC2 34a_100000210018_100000742324 [0,1,0,1,0,0|2,0,0]=4 31412 B13R2.527 Brc1ccc(cc1)OCC2CC2 34a_100000185759_100000742324 [0,1,0,1,0,0|2,0,0]=4 31413 B13R2.527 Brc1ccc(cc1)OCC2CC2 7a_100000185759_100000742324 [0,1,0,1,0,0|2,0,0]=4 31414 B13R2.527 Brc1ccc(cc1)SCC2CC2 62a_100000752885_100000742324 [0,1,0,1,0,0|2,0,0]=4 31415 B13R2.527 Brc1ccc(cc1)SCC2CC2 62a_100000756562_100000752885 [0,1,0,1,0,0|2,0,0]=4 31416 B13R2.527 Brc1ccc(nc1)C#CC2CC2 271570a_200009880635_100000686858 [0,1,0,1,0,0|0,0,2]=4 31417 B13R2.527 Brc1ccc(nc1)C=CC2CC2 271570a_100102526188_100000686858 [0,1,0,1,0,0|0,0,2]=4 31418 B13R2.527 Brc1ccc(nc1)CNC2CC2 34a_100000212008_100000702658 [0,1,0,1,0,0|1,0,0]=3 31419 B13R2.527 Brc1ccc(nc1)CNC2CC2 34a_100015188789_100000211595 [0,1,0,1,0,0|1,0,0]=3 31420 B13R2.527 Brc1ccc(nc1)COC2CC2 34a_100000754261_100000211595 [0,1,0,1,0,0|1,0,0]=3 31421 B13R2.527 Brc1ccc(nc1)CSC2CC2 62a_100000702658_100000211595 [0,1,0,1,0,0|1,0,0]=3 31422 B13R2.527 Brc1ccc(nc1)NCC2CC2 27a_100000735609_100000686858 [0,1,0,1,0,0|1,0,0]=3 31423 B13R2.527 Brc1ccc(nc1)SCC2CC2 62a_100000686858_100000742324 [0,1,0,1,0,0|1,0,0]=3 31424 B13R2.527 Brc1ccc(nc1)SCC2CC2 62a_100000756562_100000686858 [0,1,0,1,0,0|1,0,0]=3 31425 B13R2.527 Brc1ccc(nc1)SCC2CO2 62a_100000686858_102125554688 [0,1,0,1,0,0|2,0,0]=4 31426 B13R2.527 Brc1ccc(nc1)SCC2CO2 62a_102125554688_100000686858 [0,1,0,1,0,0|2,0,0]=4 31427 B13R2.527 Brc1ccc(nc1)SCC2CS2 62a_100000031435_100000686858 [0,1,0,1,0,0|2,0,0]=4 31428 B13R2.527 Brc1ccc(nc1)SCC2CS2 62a_100000686858_100000031435 [0,1,0,1,0,0|2,0,0]=4 31429 B13R2.527 Brc1ccc(nc1)SC[C@@H]2CO2 62a_100000686858_100000745022 [0,1,0,1,0,0|2,0,0]=4 31430 B13R2.527 Brc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000686858 [0,1,0,1,0,0|2,0,0]=4 31431 B13R2.527 Brc1cnc(cn1)NCC2CC2 27a_100000735609_100010187541 [0,1,0,1,0,0|2,0,0]=4 31432 B13R2.527 Brc1cnc(cn1)OCC2CC2 34a_100011934580_100000742324 [0,1,0,1,0,0|2,0,0]=4 31433 B13R2.527 Brc1cnc(cn1)SCC2CC2 62a_100000756562_100010187541 [0,1,0,1,0,0|2,0,0]=4 31434 B13R2.527 Brc1cnc(cn1)SCC2CC2 62a_100010187541_100000742324 [0,1,0,1,0,0|2,0,0]=4 31435 B13R2.527 Brc1cnc(nc1)CNC2CC2 34a_100000212008_100010064664 [0,1,0,1,0,0|2,0,0]=4 31436 B13R2.527 Brc1cnc(nc1)CSC2CC2 62a_100010064664_100000211595 [0,1,0,1,0,0|2,0,0]=4 31437 B13R2.527 Brc1cnc(nc1)NCC2CC2 27a_100000735609_100000690281 [0,1,0,1,0,0|2,0,0]=4 31438 B13R2.527 Brc1cnc(nc1)SCC2CC2 62a_100000690281_100000742324 [0,1,0,1,0,0|2,0,0]=4 31439 B13R2.527 Brc1cnc(nc1)SCC2CC2 62a_100000756562_100000690281 [0,1,0,1,0,0|2,0,0]=4 31440 B13R2.527 Cc1ccc(cc1)CNC2CC2 34a_100000174908_100000211595 [0,1,0,1,0,0|2,0,0]=4 31441 B13R2.527 Cc1ccc(cc1)CNC2CC2 34a_100000212008_100000210814 [0,1,0,1,0,0|2,0,0]=4 31442 B13R2.527 Cc1ccc(cc1)COC2CC2 34a_100011215236_100000211595 [0,1,0,1,0,0|2,0,0]=4 31443 B13R2.527 Cc1ccc(cc1)CSC2CC2 62a_100000210814_100000211595 [0,1,0,1,0,0|2,0,0]=4 31444 B13R2.527 Cc1ccc(cc1)NCC2CC2 34a_100000124888_100000742324 [0,1,0,1,0,0|2,0,0]=4 31445 B13R2.527 Cc1ccc(cc1)OCC2CC2 34a_100000210336_100000742324 [0,1,0,1,0,0|2,0,0]=4 31446 B13R2.527 Cc1ccc(cc1)OCC2CC2 7a_100000210336_100000742324 [0,1,0,1,0,0|2,0,0]=4 31447 B13R2.527 Cc1ccc(cc1)SCC2CC2 62a_100000186775_100000742324 [0,1,0,1,0,0|2,0,0]=4 31448 B13R2.527 Cc1ccc(cc1)SCC2CC2 62a_100000756562_100000186775 [0,1,0,1,0,0|2,0,0]=4 31449 B13R2.527 Cc1ccc(nc1)C#CC2CC2 271570a_200009880635_100000754016 [0,1,0,1,0,0|0,0,2]=4 31450 B13R2.527 Cc1ccc(nc1)C=CC2CC2 271570a_100102526188_100000754016 [0,1,0,1,0,0|0,0,2]=4 31451 B13R2.527 Cc1ccc(nc1)CNC2CC2 34a_100000212008_100000691093 [0,1,0,1,0,0|1,0,0]=3 31452 B13R2.527 Cc1ccc(nc1)CNC2CC2 34a_100015187455_100000211595 [0,1,0,1,0,0|1,0,0]=3 31453 B13R2.527 Cc1ccc(nc1)COC2CC2 34a_100012001401_100000211595 [0,1,0,1,0,0|1,0,0]=3 31454 B13R2.527 Cc1ccc(nc1)CSC2CC2 62a_100000691093_100000211595 [0,1,0,1,0,0|1,0,0]=3 31455 B13R2.527 Cc1ccc(nc1)OCC2CC2 34a_100000759353_100000742324 [0,1,0,1,0,0|1,0,0]=3 31456 B13R2.527 Cc1ccc(nc1)OCC2CO2 34a_100000759353_102125554688 [0,1,0,1,0,0|2,0,0]=4 31457 B13R2.527 Cc1ccc(nc1)SCC2CC2 62a_100000756562_100000754016 [0,1,0,1,0,0|1,0,0]=3 31458 B13R2.527 Cc1ccc(nc1)SCC2CC2 62a_100011192072_100000742324 [0,1,0,1,0,0|1,0,0]=3 31459 B13R2.527 Cc1ccc(nc1)SCC2CO2 62a_100011192072_102125554688 [0,1,0,1,0,0|2,0,0]=4 31460 B13R2.527 Cc1ccc(nc1)SCC2CO2 62a_102125554688_100000754016 [0,1,0,1,0,0|2,0,0]=4 31461 B13R2.527 Cc1ccc(nc1)SCC2CS2 62a_100000031435_100000754016 [0,1,0,1,0,0|2,0,0]=4 31462 B13R2.527 Cc1ccc(nc1)SCC2CS2 62a_100011192072_100000031435 [0,1,0,1,0,0|2,0,0]=4 31463 B13R2.527 Cc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000754016 [0,1,0,1,0,0|2,0,0]=4 31464 B13R2.527 Cc1ccc(nc1)SC[C@@H]2CO2 62a_100011192072_100000745022 [0,1,0,1,0,0|2,0,0]=4 31465 B13R2.527 Cc1ccc(nn1)NCC2CC2 27a_100000735609_100000744512 [0,1,0,1,0,0|2,0,0]=4 31466 B13R2.527 Cc1ccc(nn1)SCC2CC2 62a_100000744512_100000742324 [0,1,0,1,0,0|2,0,0]=4 31467 B13R2.527 Cc1ccc(nn1)SCC2CC2 62a_100000756562_100000744512 [0,1,0,1,0,0|2,0,0]=4 31468 B13R2.527 Cc1cnc(cn1)CNC2CC2 34a_100132314150_100000211595 [0,1,0,1,0,0|2,0,0]=4 31469 B13R2.527 Cc1cnc(cn1)COC2CC2 34a_100011273949_100000211595 [0,1,0,1,0,0|2,0,0]=4 31470 B13R2.527 Cc1cnc(cn1)CSC2CC2 62a_100000752025_100000211595 [0,1,0,1,0,0|2,0,0]=4 31471 B13R2.527 Cc1cnc(cn1)NCC2CC2 27a_100000735609_100000074397 [0,1,0,1,0,0|2,0,0]=4 31472 B13R2.527 Cc1cnc(cn1)SCC2CC2 62a_100000756562_100011999403 [0,1,0,1,0,0|2,0,0]=4 31473 B13R2.527 Cc1cnc(cn1)SCC2CC2 62a_100011999403_100000742324 [0,1,0,1,0,0|2,0,0]=4 31474 B13R2.527 Cc1cnc(nc1)CNC2CC2 34a_100000212008_100000685645 [0,1,0,1,0,0|2,0,0]=4 31475 B13R2.527 Cc1cnc(nc1)CSC2CC2 62a_100000685645_100000211595 [0,1,0,1,0,0|2,0,0]=4 31476 B13R2.527 Cc1cnc(nc1)NCC2CC2 27a_100000735609_100000061069 [0,1,0,1,0,0|2,0,0]=4 31477 B13R2.527 Cc1cnc(nc1)SCC2CC2 62a_100000061069_100000742324 [0,1,0,1,0,0|2,0,0]=4 31478 B13R2.527 Cc1cnc(nc1)SCC2CC2 62a_100000756562_100000061069 [0,1,0,1,0,0|2,0,0]=4 31479 B13R2.527 Clc1ccc(cc1)CNC2CC2 34a_100000174871_100000211595 [0,1,0,1,0,0|2,0,0]=4 31480 B13R2.527 Clc1ccc(cc1)CNC2CC2 34a_100000212008_100000694040 [0,1,0,1,0,0|2,0,0]=4 31481 B13R2.527 Clc1ccc(cc1)COC2CC2 34a_100000211118_100000211595 [0,1,0,1,0,0|2,0,0]=4 31482 B13R2.527 Clc1ccc(cc1)CSC2CC2 62a_100000187161_100000211595 [0,1,0,1,0,0|2,0,0]=4 31483 B13R2.527 Clc1ccc(cc1)NCC2CC2 2230a_100000210052_100000742324 [0,1,0,1,0,0|2,0,0]=4 31484 B13R2.527 Clc1ccc(cc1)NCC2CC2 34a_100000210052_100000742324 [0,1,0,1,0,0|2,0,0]=4 31485 B13R2.527 Clc1ccc(cc1)OCC2CC2 34a_100000210216_100000742324 [0,1,0,1,0,0|2,0,0]=4 31486 B13R2.527 Clc1ccc(cc1)OCC2CC2 7a_100000210216_100000742324 [0,1,0,1,0,0|2,0,0]=4 31487 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000755918_100000742324 [0,1,0,1,0,0|2,0,0]=4 31488 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000756562_100000755918 [0,1,0,1,0,0|2,0,0]=4 31489 B13R2.527 Clc1ccc(nc1)C#CC2CC2 271570a_200009880635_100011356976 [0,1,0,1,0,0|0,0,2]=4 31490 B13R2.527 Clc1ccc(nc1)C=CC2CC2 271570a_100102526188_100011356976 [0,1,0,1,0,0|0,0,2]=4 31491 B13R2.527 Clc1ccc(nc1)CNC2CC2 34a_100000212008_100012066911 [0,1,0,1,0,0|1,0,0]=3 31492 B13R2.527 Clc1ccc(nc1)CNC2CC2 34a_100000697193_100000211595 [0,1,0,1,0,0|1,0,0]=3 31493 B13R2.527 Clc1ccc(nc1)COC2CC2 34a_100000703999_100000211595 [0,1,0,1,0,0|1,0,0]=3 31494 B13R2.527 Clc1ccc(nc1)CSC2CC2 62a_100012066911_100000211595 [0,1,0,1,0,0|1,0,0]=3 31495 B13R2.527 Clc1ccc(nc1)OCC2CC2 34a_100011215309_100000742324 [0,1,0,1,0,0|1,0,0]=3 31496 B13R2.527 Clc1ccc(nc1)OCC2CO2 34a_100011215309_102125554688 [0,1,0,1,0,0|2,0,0]=4 31497 B13R2.527 Clc1ccc(nc1)SCC2CC2 62a_100000756562_100011356976 [0,1,0,1,0,0|1,0,0]=3 31498 B13R2.527 Clc1ccc(nc1)SCC2CC2 62a_100011356976_100000742324 [0,1,0,1,0,0|1,0,0]=3 31499 B13R2.527 Clc1ccc(nc1)SCC2CO2 62a_100011356976_102125554688 [0,1,0,1,0,0|2,0,0]=4 31500 B13R2.527 Clc1ccc(nc1)SCC2CO2 62a_102125554688_100011356976 [0,1,0,1,0,0|2,0,0]=4 31501 B13R2.527 Clc1ccc(nc1)SCC2CS2 62a_100000031435_100011356976 [0,1,0,1,0,0|2,0,0]=4 31502 B13R2.527 Clc1ccc(nc1)SCC2CS2 62a_100011356976_100000031435 [0,1,0,1,0,0|2,0,0]=4 31503 B13R2.527 Clc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011356976 [0,1,0,1,0,0|2,0,0]=4 31504 B13R2.527 Clc1ccc(nc1)SC[C@@H]2CO2 62a_100011356976_100000745022 [0,1,0,1,0,0|2,0,0]=4 31505 B13R2.527 Clc1ccc(nn1)CNC2CC2 34a_100000212008_100016992710 [0,1,0,1,0,0|2,0,0]=4 31506 B13R2.527 Clc1ccc(nn1)CSC2CC2 62a_100016992710_100000211595 [0,1,0,1,0,0|2,0,0]=4 31507 B13R2.527 Clc1ccc(nn1)SCC2CC2 62a_100000068654_100000742324 [0,1,0,1,0,0|2,0,0]=4 31508 B13R2.527 Clc1ccc(nn1)SCC2CC2 62a_100000756562_100000068654 [0,1,0,1,0,0|2,0,0]=4 31509 B13R2.527 Clc1cnc(cn1)COC2CC2 34a_100012002382_100000211595 [0,1,0,1,0,0|2,0,0]=4 31510 B13R2.527 Clc1cnc(cn1)OCC2CC2 34a_100015839800_100000742324 [0,1,0,1,0,0|2,0,0]=4 31511 B13R2.527 Clc1cnc(cn1)SCC2CC2 62a_100000756562_100010214907 [0,1,0,1,0,0|2,0,0]=4 31512 B13R2.527 Clc1cnc(cn1)SCC2CC2 62a_100010214907_100000742324 [0,1,0,1,0,0|2,0,0]=4 31513 B13R2.527 Clc1cnc(nc1)NCC2CC2 27a_100000735609_100011356929 [0,1,0,1,0,0|2,0,0]=4 31514 B13R2.527 Clc1cnc(nc1)SCC2CC2 62a_100000756562_100011356929 [0,1,0,1,0,0|2,0,0]=4 31515 B13R2.527 Clc1cnc(nc1)SCC2CC2 62a_100011356929_100000742324 [0,1,0,1,0,0|2,0,0]=4 31516 B13R2.527 Fc1ccc(cc1)CNC2CC2 34a_100000174882_100000211595 [0,1,0,1,0,0|2,0,0]=4 31517 B13R2.527 Fc1ccc(cc1)CNC2CC2 34a_100000212008_100000198546 [0,1,0,1,0,0|2,0,0]=4 31518 B13R2.527 Fc1ccc(cc1)COC2CC2 34a_100000210977_100000211595 [0,1,0,1,0,0|2,0,0]=4 31519 B13R2.527 Fc1ccc(cc1)CSC2CC2 62a_100000198546_100000211595 [0,1,0,1,0,0|2,0,0]=4 31520 B13R2.527 Fc1ccc(cc1)NCC2CC2 34a_100000185862_100000742324 [0,1,0,1,0,0|2,0,0]=4 31521 B13R2.527 Fc1ccc(cc1)OCC2CC2 34a_100000210339_100000742324 [0,1,0,1,0,0|2,0,0]=4 31522 B13R2.527 Fc1ccc(cc1)SCC2CC2 62a_100000211213_100000742324 [0,1,0,1,0,0|2,0,0]=4 31523 B13R2.527 Fc1ccc(cc1)SCC2CC2 62a_100000756562_100000211213 [0,1,0,1,0,0|2,0,0]=4 31524 B13R2.527 Fc1ccc(nc1)C#CC2CC2 271570a_200009880635_100000744514 [0,1,0,1,0,0|0,0,2]=4 31525 B13R2.527 Fc1ccc(nc1)C=CC2CC2 271570a_100102526188_100000744514 [0,1,0,1,0,0|0,0,2]=4 31526 B13R2.527 Fc1ccc(nc1)CNC2CC2 34a_100000212008_100000703193 [0,1,0,1,0,0|1,0,0]=3 31527 B13R2.527 Fc1ccc(nc1)CNC2CC2 34a_100020620131_100000211595 [0,1,0,1,0,0|1,0,0]=3 31528 B13R2.527 Fc1ccc(nc1)COC2CC2 34a_100011999454_100000211595 [0,1,0,1,0,0|1,0,0]=3 31529 B13R2.527 Fc1ccc(nc1)CSC2CC2 62a_100000703193_100000211595 [0,1,0,1,0,0|1,0,0]=3 31530 B13R2.527 Fc1ccc(nc1)OCC2CC2 34a_100000742473_100000742324 [0,1,0,1,0,0|1,0,0]=3 31531 B13R2.527 Fc1ccc(nc1)OCC2CO2 34a_100000742473_102125554688 [0,1,0,1,0,0|2,0,0]=4 31532 B13R2.527 Fc1ccc(nc1)SCC2CC2 62a_100000744514_100000742324 [0,1,0,1,0,0|1,0,0]=3 31533 B13R2.527 Fc1ccc(nc1)SCC2CC2 62a_100000756562_100000744514 [0,1,0,1,0,0|1,0,0]=3 31534 B13R2.527 Fc1ccc(nc1)SCC2CO2 62a_100000744514_102125554688 [0,1,0,1,0,0|2,0,0]=4 31535 B13R2.527 Fc1ccc(nc1)SCC2CO2 62a_102125554688_100000744514 [0,1,0,1,0,0|2,0,0]=4 31536 B13R2.527 Fc1ccc(nc1)SCC2CS2 62a_100000031435_100000744514 [0,1,0,1,0,0|2,0,0]=4 31537 B13R2.527 Fc1ccc(nc1)SCC2CS2 62a_100000744514_100000031435 [0,1,0,1,0,0|2,0,0]=4 31538 B13R2.527 Fc1ccc(nc1)SC[C@@H]2CO2 62a_100000744514_100000745022 [0,1,0,1,0,0|2,0,0]=4 31539 B13R2.527 Fc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000744514 [0,1,0,1,0,0|2,0,0]=4 31540 B13R2.527 Fc1cnc(cn1)NCC2CC2 27a_100000735609_100009856528 [0,1,0,1,0,0|2,0,0]=4 31541 B13R2.527 Fc1cnc(cn1)SCC2CC2 62a_100000756562_100009856528 [0,1,0,1,0,0|2,0,0]=4 31542 B13R2.527 Fc1cnc(cn1)SCC2CC2 62a_100009856528_100000742324 [0,1,0,1,0,0|2,0,0]=4 31543 B13R2.527 Fc1cnc(nc1)NCC2CC2 27a_100000735609_100000685220 [0,1,0,1,0,0|2,0,0]=4 31544 B13R2.527 Fc1cnc(nc1)OCC2CC2 34a_100011934040_100000742324 [0,1,0,1,0,0|2,0,0]=4 31545 B13R2.527 Fc1cnc(nc1)SCC2CC2 62a_100000685220_100000742324 [0,1,0,1,0,0|2,0,0]=4 31546 B13R2.527 Fc1cnc(nc1)SCC2CC2 62a_100000756562_100000685220 [0,1,0,1,0,0|2,0,0]=4 31547 B13R2.527 Ic1ccc(cc1)CNC2CC2 34a_100000212008_100000189116 [0,1,0,1,0,0|2,0,0]=4 31548 B13R2.527 Ic1ccc(cc1)CNC2CC2 34a_100016989417_100000211595 [0,1,0,1,0,0|2,0,0]=4 31549 B13R2.527 Ic1ccc(cc1)COC2CC2 34a_100000690907_100000211595 [0,1,0,1,0,0|2,0,0]=4 31550 B13R2.527 Ic1ccc(cc1)CSC2CC2 62a_100000189116_100000211595 [0,1,0,1,0,0|2,0,0]=4 31551 B13R2.527 Ic1ccc(cc1)NCC2CC2 34a_100000185761_100000742324 [0,1,0,1,0,0|2,0,0]=4 31552 B13R2.527 Ic1ccc(cc1)OCC2CC2 34a_100000212066_100000742324 [0,1,0,1,0,0|2,0,0]=4 31553 B13R2.527 Ic1ccc(cc1)OCC2CC2 7a_100000212066_100000742324 [0,1,0,1,0,0|2,0,0]=4 31554 B13R2.527 Nc1ccc(cc1)COC2CC2 34a_100011215238_100000211595 [0,1,0,1,0,0|2,0,0]=4 31555 B13R2.527 Nc1ccc(cc1)OCC2CC2 34a_100000185829_100000742324 [0,1,0,1,0,0|2,0,0]=4 31556 B13R2.527 Nc1ccc(cc1)SCC2CC2 62a_100000185761_100000742324 [0,1,0,1,0,0|2,0,0]=4 31557 B13R2.527 Nc1ccc(cc1)SCC2CC2 62a_100000756562_100000185761 [0,1,0,1,0,0|2,0,0]=4 31558 B13R2.527 Nc1ccc(nc1)C#CC2CC2 271570a_200009880635_100000744251 [0,1,0,1,0,0|0,0,2]=4 31559 B13R2.527 Nc1ccc(nc1)C=CC2CC2 271570a_100102526188_100000744251 [0,1,0,1,0,0|0,0,2]=4 31560 B13R2.527 Nc1ccc(nc1)COC2CC2 34a_100011998161_100000211595 [0,1,0,1,0,0|1,0,0]=3 31561 B13R2.527 Nc1ccc(nc1)OCC2CC2 34a_100000729260_100000742324 [0,1,0,1,0,0|1,0,0]=3 31562 B13R2.527 Nc1ccc(nc1)OCC2CO2 34a_100000729260_102125554688 [0,1,0,1,0,0|2,0,0]=4 31563 B13R2.527 Nc1ccc(nc1)SCC2CC2 62a_100000737798_100000742324 [0,1,0,1,0,0|1,0,0]=3 31564 B13R2.527 Nc1ccc(nc1)SCC2CC2 62a_100000756562_100000737798 [0,1,0,1,0,0|1,0,0]=3 31565 B13R2.527 Nc1ccc(nc1)SCC2CO2 62a_100000737798_102125554688 [0,1,0,1,0,0|2,0,0]=4 31566 B13R2.527 Nc1ccc(nc1)SCC2CO2 62a_102125554688_100000737798 [0,1,0,1,0,0|2,0,0]=4 31567 B13R2.527 Nc1ccc(nc1)SCC2CS2 62a_100000031435_100000737798 [0,1,0,1,0,0|2,0,0]=4 31568 B13R2.527 Nc1ccc(nc1)SCC2CS2 62a_100000737798_100000031435 [0,1,0,1,0,0|2,0,0]=4 31569 B13R2.527 Nc1ccc(nc1)SC[C@@H]2CO2 62a_100000737798_100000745022 [0,1,0,1,0,0|2,0,0]=4 31570 B13R2.527 Nc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000737798 [0,1,0,1,0,0|2,0,0]=4 31571 B13R2.527 Nc1ccc(nn1)SCC2CC2 62a_100000756562_100010219413 [0,1,0,1,0,0|2,0,0]=4 31572 B13R2.527 Nc1ccc(nn1)SCC2CC2 62a_100010219413_100000742324 [0,1,0,1,0,0|2,0,0]=4 31573 B13R2.527 Nc1cnc(cn1)SCC2CC2 62a_100000744751_100000742324 [0,1,0,1,0,0|2,0,0]=4 31574 B13R2.527 Nc1cnc(cn1)SCC2CC2 62a_100000756562_100000744751 [0,1,0,1,0,0|2,0,0]=4 31575 B13R2.527 Nc1cnc(nc1)SCC2CC2 62a_100000068403_100000742324 [0,1,0,1,0,0|2,0,0]=4 31576 B13R2.527 Nc1cnc(nc1)SCC2CC2 62a_100000756562_100000068403 [0,1,0,1,0,0|2,0,0]=4 31577 B13R2.527 O=c1ccc(n[nH]1)SCC2CC2 62a_100000756562_100009820020 [0,1,0,1,0,0|2,0,0]=4 31578 B13R2.527 O=c1ccc(n[nH]1)SCC2CC2 62a_100009820020_100000742324 [0,1,0,1,0,0|2,0,0]=4 31579 B13R2.527 Oc1ccc(cc1)CNC2CC2 271570a_203496583355_100015184634 [0,1,0,1,0,0|2,0,0]=4 31580 B13R2.527 Oc1ccc(cc1)CNC2CC2 34a_100000185549_100000211595 [0,1,0,1,0,0|2,0,0]=4 31581 B13R2.527 Oc1ccc(cc1)NCC2CC2 34a_100000185829_100000742324 [0,1,0,1,0,0|2,0,0]=4 31582 B13R2.527 Oc1ccc(cc1)OCC2CC2 271570a_203496583355_100011316336 [0,1,0,1,0,0|2,0,0]=4 31583 B13R2.527 Oc1ccc(cc1)SCC2CC2 62a_100000756562_100000185759 [0,1,0,1,0,0|2,0,0]=4 31584 B13R2.527 Oc1ccc(nc1)C#CC2CC2 271570a_200009880635_100000685995 [0,1,0,1,0,0|0,0,2]=4 31585 B13R2.527 Oc1ccc(nc1)C=CC2CC2 271570a_100102526188_100000685995 [0,1,0,1,0,0|0,0,2]=4 31586 B13R2.527 Oc1ccc(nc1)OCC2CC2 271570a_203496583355_100011465590 [0,1,0,1,0,0|1,0,0]=3 31587 B13R2.527 Oc1ccc(nc1)SCC2CC2 62a_100000685995_100000742324 [0,1,0,1,0,0|1,0,0]=3 31588 B13R2.527 Oc1ccc(nc1)SCC2CC2 62a_100000756562_100000744096 [0,1,0,1,0,0|1,0,0]=3 31589 B13R2.527 Oc1ccc(nc1)SCC2CO2 62a_100000685995_102125554688 [0,1,0,1,0,0|2,0,0]=4 31590 B13R2.527 Oc1ccc(nc1)SCC2CO2 62a_102125554688_100000744096 [0,1,0,1,0,0|2,0,0]=4 31591 B13R2.527 Oc1ccc(nc1)SCC2CS2 62a_100000031435_100000744096 [0,1,0,1,0,0|2,0,0]=4 31592 B13R2.527 Oc1ccc(nc1)SCC2CS2 62a_100000685995_100000031435 [0,1,0,1,0,0|2,0,0]=4 31593 B13R2.527 Oc1ccc(nc1)SC[C@@H]2CO2 62a_100000685995_100000745022 [0,1,0,1,0,0|2,0,0]=4 31594 B13R2.527 Oc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000744096 [0,1,0,1,0,0|2,0,0]=4 31595 B13R2.527 Oc1cnc(cn1)SCC2CC2 62a_100000756562_100015839800 [0,1,0,1,0,0|2,0,0]=4 31596 B13R2.527 Oc1cnc(cn1)SCC2CC2 62a_100011934580_100000742324 [0,1,0,1,0,0|2,0,0]=4 31597 B13R2.527 Oc1cnc(nc1)OCC2CC2 271570a_203496583355_200011939466 [0,1,0,1,0,0|2,0,0]=4 31598 B13R2.527 Oc1cnc(nc1)SCC2CC2 62a_100000730009_100000742324 [0,1,0,1,0,0|2,0,0]=4 31599 B13R2.527 Oc1cnc(nc1)SCC2CC2 62a_100000756562_100000092845 [0,1,0,1,0,0|2,0,0]=4 31600 B13R2.1069 Brc1ccc(cc1)CN2CCC2 269982a_100000754969_100011217064 [0,1,0,1,0,0|2,0,0]=4 31601 B13R2.1069 Brc1ccc(cc1)CN2CCC2 26a_100000754969_100000185759 [0,1,0,1,0,0|2,0,0]=4 31602 B13R2.1069 Brc1ccc(cc1)NC2CCC2 34a_100000210018_100000749161 [0,1,0,1,0,0|2,0,0]=4 31603 B13R2.1069 Brc1ccc(cc1)OC2CCC2 34a_100000185759_100000749161 [0,1,0,1,0,0|2,0,0]=4 31604 B13R2.1069 Brc1ccc(cc1)SC2CCC2 62a_100000752885_100000749161 [0,1,0,1,0,0|2,0,0]=4 31605 B13R2.1069 Brc1ccc(nc1)CN2CCC2 269982a_100000754969_100000702658 [0,1,0,1,0,0|1,0,0]=3 31606 B13R2.1069 Brc1ccc(nc1)NC2CCC2 27a_100000749019_100000686858 [0,1,0,1,0,0|1,0,0]=3 31607 B13R2.1069 Brc1ccc(nc1)NC2COC2 27a_100016991112_100000686858 [0,1,0,1,0,0|2,0,0]=4 31608 B13R2.1069 Brc1ccc(nc1)NC2CSC2 27a_100016994217_100000686858 [0,1,0,1,0,0|2,0,0]=4 31609 B13R2.1069 Brc1ccc(nc1)SC2CCC2 62a_100000686858_100000749161 [0,1,0,1,0,0|1,0,0]=3 31610 B13R2.1069 Brc1ccc(nc1)SC2COC2 62a_100000686858_100009818527 [0,1,0,1,0,0|2,0,0]=4 31611 B13R2.1069 Brc1cnc(cn1)NC2CCC2 27a_100000749019_100010187541 [0,1,0,1,0,0|2,0,0]=4 31612 B13R2.1069 Brc1cnc(cn1)OC2CCC2 34a_100011934580_100000749161 [0,1,0,1,0,0|2,0,0]=4 31613 B13R2.1069 Brc1cnc(cn1)SC2CCC2 62a_100010187541_100000749161 [0,1,0,1,0,0|2,0,0]=4 31614 B13R2.1069 Brc1cnc(nc1)CN2CCC2 269982a_100000754969_100010064664 [0,1,0,1,0,0|2,0,0]=4 31615 B13R2.1069 Brc1cnc(nc1)NC2CCC2 27a_100000749019_100000690281 [0,1,0,1,0,0|2,0,0]=4 31616 B13R2.1069 Brc1cnc(nc1)SC2CCC2 62a_100000690281_100000749161 [0,1,0,1,0,0|2,0,0]=4 31617 B13R2.1069 Cc1ccc(cc1)CN2CCC2 269982a_100000754969_100000210814 [0,1,0,1,0,0|2,0,0]=4 31618 B13R2.1069 Cc1ccc(cc1)CN2CCC2 26a_100000754969_200020625495 [0,1,0,1,0,0|2,0,0]=4 31619 B13R2.1069 Cc1ccc(cc1)NC2CCC2 34a_100000124888_100000749161 [0,1,0,1,0,0|2,0,0]=4 31620 B13R2.1069 Cc1ccc(cc1)OC2CCC2 34a_100000210336_100000749161 [0,1,0,1,0,0|2,0,0]=4 31621 B13R2.1069 Cc1ccc(cc1)SC2CCC2 62a_100000186775_100000749161 [0,1,0,1,0,0|2,0,0]=4 31622 B13R2.1069 Cc1ccc(nc1)CN2CCC2 269982a_100000754969_100000691093 [0,1,0,1,0,0|1,0,0]=3 31623 B13R2.1069 Cc1ccc(nc1)OC2CCC2 34a_100000759353_100000749161 [0,1,0,1,0,0|1,0,0]=3 31624 B13R2.1069 Cc1ccc(nc1)OC2COC2 34a_100000759353_100009818527 [0,1,0,1,0,0|2,0,0]=4 31625 B13R2.1069 Cc1ccc(nc1)SC2CCC2 62a_100011192072_100000749161 [0,1,0,1,0,0|1,0,0]=3 31626 B13R2.1069 Cc1ccc(nc1)SC2COC2 62a_100011192072_100009818527 [0,1,0,1,0,0|2,0,0]=4 31627 B13R2.1069 Cc1ccc(nn1)NC2CCC2 27a_100000749019_100000744512 [0,1,0,1,0,0|2,0,0]=4 31628 B13R2.1069 Cc1ccc(nn1)SC2CCC2 62a_100000744512_100000749161 [0,1,0,1,0,0|2,0,0]=4 31629 B13R2.1069 Cc1cnc(cn1)CN2CCC2 269982a_100000754969_100000752025 [0,1,0,1,0,0|2,0,0]=4 31630 B13R2.1069 Cc1cnc(cn1)NC2CCC2 27a_100000749019_100000074397 [0,1,0,1,0,0|2,0,0]=4 31631 B13R2.1069 Cc1cnc(cn1)SC2CCC2 62a_100011999403_100000749161 [0,1,0,1,0,0|2,0,0]=4 31632 B13R2.1069 Cc1cnc(nc1)CN2CCC2 269982a_100000754969_100000685645 [0,1,0,1,0,0|2,0,0]=4 31633 B13R2.1069 Cc1cnc(nc1)NC2CCC2 27a_100000749019_100000061069 [0,1,0,1,0,0|2,0,0]=4 31634 B13R2.1069 Cc1cnc(nc1)SC2CCC2 62a_100000061069_100000749161 [0,1,0,1,0,0|2,0,0]=4 31635 B13R2.1069 Clc1ccc(cc1)CN2CCC2 269982a_100000754969_100000187161 [0,1,0,1,0,0|2,0,0]=4 31636 B13R2.1069 Clc1ccc(cc1)NC2CCC2 34a_100000210052_100000749161 [0,1,0,1,0,0|2,0,0]=4 31637 B13R2.1069 Clc1ccc(cc1)OC2CCC2 34a_100000210216_100000749161 [0,1,0,1,0,0|2,0,0]=4 31638 B13R2.1069 Clc1ccc(cc1)SC2CCC2 62a_100000755918_100000749161 [0,1,0,1,0,0|2,0,0]=4 31639 B13R2.1069 Clc1ccc(nc1)CN2CCC2 269982a_100000754969_100000697101 [0,1,0,1,0,0|1,0,0]=3 31640 B13R2.1069 Clc1ccc(nc1)OC2CCC2 34a_100011215309_100000749161 [0,1,0,1,0,0|1,0,0]=3 31641 B13R2.1069 Clc1ccc(nc1)OC2COC2 34a_100011215309_100009818527 [0,1,0,1,0,0|2,0,0]=4 31642 B13R2.1069 Clc1ccc(nc1)SC2CCC2 62a_100011356976_100000749161 [0,1,0,1,0,0|1,0,0]=3 31643 B13R2.1069 Clc1ccc(nc1)SC2COC2 62a_100011356976_100009818527 [0,1,0,1,0,0|2,0,0]=4 31644 B13R2.1069 Clc1ccc(nn1)SC2CCC2 62a_100000068654_100000749161 [0,1,0,1,0,0|2,0,0]=4 31645 B13R2.1069 Clc1cnc(cn1)OC2CCC2 34a_100015839800_100000749161 [0,1,0,1,0,0|2,0,0]=4 31646 B13R2.1069 Clc1cnc(cn1)SC2CCC2 62a_100010214907_100000749161 [0,1,0,1,0,0|2,0,0]=4 31647 B13R2.1069 Clc1cnc(nc1)NC2CCC2 27a_100000749019_100011356929 [0,1,0,1,0,0|2,0,0]=4 31648 B13R2.1069 Clc1cnc(nc1)SC2CCC2 62a_100011356929_100000749161 [0,1,0,1,0,0|2,0,0]=4 31649 B13R2.1069 Fc1ccc(cc1)CN2CCC2 269982a_100000754969_100000198546 [0,1,0,1,0,0|2,0,0]=4 31650 B13R2.1069 Fc1ccc(cc1)NC2CCC2 34a_100000185862_100000749161 [0,1,0,1,0,0|2,0,0]=4 31651 B13R2.1069 Fc1ccc(cc1)OC2CCC2 34a_100000210339_100000749161 [0,1,0,1,0,0|2,0,0]=4 31652 B13R2.1069 Fc1ccc(cc1)SC2CCC2 62a_100000211213_100000749161 [0,1,0,1,0,0|2,0,0]=4 31653 B13R2.1069 Fc1ccc(nc1)CN2CCC2 269982a_100000754969_100000703193 [0,1,0,1,0,0|1,0,0]=3 31654 B13R2.1069 Fc1ccc(nc1)OC2CCC2 34a_100000742473_100000749161 [0,1,0,1,0,0|1,0,0]=3 31655 B13R2.1069 Fc1ccc(nc1)OC2COC2 34a_100000742473_100009818527 [0,1,0,1,0,0|2,0,0]=4 31656 B13R2.1069 Fc1ccc(nc1)SC2CCC2 62a_100000744514_100000749161 [0,1,0,1,0,0|1,0,0]=3 31657 B13R2.1069 Fc1ccc(nc1)SC2COC2 62a_100000744514_100009818527 [0,1,0,1,0,0|2,0,0]=4 31658 B13R2.1069 Fc1cnc(cn1)NC2CCC2 27a_100000749019_100009856528 [0,1,0,1,0,0|2,0,0]=4 31659 B13R2.1069 Fc1cnc(cn1)SC2CCC2 62a_100009856528_100000749161 [0,1,0,1,0,0|2,0,0]=4 31660 B13R2.1069 Fc1cnc(nc1)NC2CCC2 27a_100000749019_100000685220 [0,1,0,1,0,0|2,0,0]=4 31661 B13R2.1069 Fc1cnc(nc1)OC2CCC2 34a_100011934040_100000749161 [0,1,0,1,0,0|2,0,0]=4 31662 B13R2.1069 Fc1cnc(nc1)SC2CCC2 62a_100000685220_100000749161 [0,1,0,1,0,0|2,0,0]=4 31663 B13R2.1069 Ic1ccc(cc1)CN2CCC2 269982a_100000754969_100000189116 [0,1,0,1,0,0|2,0,0]=4 31664 B13R2.1069 Ic1ccc(cc1)NC2CCC2 34a_100000185761_100000749161 [0,1,0,1,0,0|2,0,0]=4 31665 B13R2.1069 Ic1ccc(cc1)OC2CCC2 34a_100000212066_100000749161 [0,1,0,1,0,0|2,0,0]=4 31666 B13R2.1069 Nc1ccc(cc1)OC2CCC2 34a_100000185829_100000749161 [0,1,0,1,0,0|2,0,0]=4 31667 B13R2.1069 Nc1ccc(cc1)SC2CCC2 62a_100000185761_100000749161 [0,1,0,1,0,0|2,0,0]=4 31668 B13R2.1069 Nc1ccc(nc1)OC2CCC2 34a_100000729260_100000749161 [0,1,0,1,0,0|1,0,0]=3 31669 B13R2.1069 Nc1ccc(nc1)OC2COC2 34a_100000729260_100009818527 [0,1,0,1,0,0|2,0,0]=4 31670 B13R2.1069 Nc1ccc(nc1)SC2CCC2 62a_100000737798_100000749161 [0,1,0,1,0,0|1,0,0]=3 31671 B13R2.1069 Nc1ccc(nc1)SC2COC2 62a_100000737798_100009818527 [0,1,0,1,0,0|2,0,0]=4 31672 B13R2.1069 Nc1ccc(nn1)SC2CCC2 62a_100010219413_100000749161 [0,1,0,1,0,0|2,0,0]=4 31673 B13R2.1069 Nc1cnc(cn1)SC2CCC2 62a_100000744751_100000749161 [0,1,0,1,0,0|2,0,0]=4 31674 B13R2.1069 Nc1cnc(nc1)SC2CCC2 62a_100000068403_100000749161 [0,1,0,1,0,0|2,0,0]=4 31675 B13R2.1069 O=c1ccc(n[nH]1)SC2CCC2 62a_100009820020_100000749161 [0,1,0,1,0,0|2,0,0]=4 31676 B13R2.1069 Oc1ccc(cc1)NC2CCC2 34a_100000185829_100000749161 [0,1,0,1,0,0|2,0,0]=4 31677 B13R2.1069 Oc1ccc(nc1)SC2CCC2 62a_100000685995_100000749161 [0,1,0,1,0,0|1,0,0]=3 31678 B13R2.1069 Oc1ccc(nc1)SC2COC2 62a_100000685995_100009818527 [0,1,0,1,0,0|2,0,0]=4 31679 B13R2.1069 Oc1cnc(cn1)SC2CCC2 62a_100011934580_100000749161 [0,1,0,1,0,0|2,0,0]=4 31680 B13R2.1069 Oc1cnc(nc1)SC2CCC2 62a_100000730009_100000749161 [0,1,0,1,0,0|2,0,0]=4 31681 B13R2.2136 CNC1CCc2c1cc(cc2)Br 2230a_100011435097_200000210301 [0,1,0,1,0,0|2,0,0]=4 31682 B13R2.2136 CNC1CCc2c1cc(cc2)Br 269862a_106832991636_100000759401 [0,1,0,1,0,0|2,0,0]=4 31683 B13R2.2136 CNC1CCc2c1cc(cc2)Br 34a_100011435097_200000210301 [0,1,0,1,0,0|2,0,0]=4 31684 B13R2.2136 CNC1CCc2c1cc(cc2)C 269862a_106832991636_100000753597 [0,1,0,1,0,0|2,0,0]=4 31685 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_200000210301 [0,1,0,1,0,0|2,0,0]=4 31686 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 269862a_106832991636_100000759629 [0,1,0,1,0,0|2,0,0]=4 31687 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 34a_100016987686_200000210301 [0,1,0,1,0,0|2,0,0]=4 31688 B13R2.2136 CNC1CCc2c1cc(cc2)F 2230a_100000752734_200000210301 [0,1,0,1,0,0|2,0,0]=4 31689 B13R2.2136 CNC1CCc2c1cc(cc2)F 269862a_106832991636_100000759630 [0,1,0,1,0,0|2,0,0]=4 31690 B13R2.2136 CNC1CCc2c1cc(cc2)F 34a_100000752734_200000210301 [0,1,0,1,0,0|2,0,0]=4 31691 B13R2.2136 CNC1CCc2c1cc(cc2)I 269862a_106832991636_100011356848 [0,1,0,1,0,0|2,0,0]=4 31692 B13R2.2136 CNC1CCc2c1cc(cn2)Br 269862a_106832991636_100010174022 [0,1,0,1,0,0|1,0,0]=3 31693 B13R2.2136 COC1CCc2c1cc(cc2)Br 34a_100011836024_200000210301 [0,1,0,1,0,0|2,0,0]=4 31694 B13R2.2136 COC1CCc2c1cc(cc2)Br 7a_100011836024_200000210301 [0,1,0,1,0,0|2,0,0]=4 31695 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Br 2230a_100011435097_200025704644 [0,1,0,1,0,0|2,0,0]=4 31696 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Br 34a_100011435097_200025704644 [0,1,0,1,0,0|2,0,0]=4 31697 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 2230a_100016987686_200025704644 [0,1,0,1,0,0|2,0,0]=4 31698 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 34a_100016987686_200025704644 [0,1,0,1,0,0|2,0,0]=4 31699 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)F 2230a_100000752734_200025704644 [0,1,0,1,0,0|2,0,0]=4 31700 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)F 34a_100000752734_200025704644 [0,1,0,1,0,0|2,0,0]=4 31701 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 34a_100011836024_200025704644 [0,1,0,1,0,0|2,0,0]=4 31702 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 7a_100011836024_200025704644 [0,1,0,1,0,0|2,0,0]=4 31703 B13R2.3729 Oc1ccc2c(c1)NCCCC2 271570a_203496583355_100010199521 [0,1,0,1,0,0|2,0,0]=4 31704 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,1,0,1,0,0|1,0,0]=3 31705 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,1,0,1,0,0|1,0,0]=3 31706 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [0,1,0,1,0,0|2,0,0]=4 31707 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,1,0,1,0,0|1,0,0]=3 31708 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,1,0,1,0,0|1,0,0]=3 31709 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,1,0,1,0,0|1,0,0]=3 31710 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,1,0,1,0,0|1,0,0]=3 31711 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,1,0,1,0,0|1,0,0]=3 31712 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,1,0,1,0,0|1,0,0]=3 31713 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,1,0,1,0,0|1,0,0]=3 31714 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [0,1,0,1,0,0|2,0,0]=4 31715 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [0,1,0,1,0,0|2,0,0]=4 31716 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [0,1,0,1,0,0|2,0,0]=4 31717 B13R2.1 FCSC1CCc2c1cccc2 62a_100015361967_200000721974 [0,1,0,1,0,0|2,0,0]=4 31718 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,1,0,1,0,0|1,0,0]=3 31719 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,1,0,1,0,0|1,0,0]=3 31720 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,1,0,1,0,0|1,0,1]=4 31721 B13R2.3 C1=C(CCCC1)c2ccccn2 271570a_100000062251_100011216584 [0,1,0,1,0,0|0,0,1]=3 31722 B13R2.3 C1=C(CCCC1)c2cccnn2 271570a_100000062251_100016991348 [0,1,0,1,0,0|1,0,1]=4 31723 B13R2.3 C1=C(CCCC1)c2ccncn2 271570a_100000062251_100000703185 [0,1,0,1,0,0|1,0,1]=4 31724 B13R2.3 C1=C(CCCC1)c2cnccn2 271570a_100000062251_100000758340 [0,1,0,1,0,0|1,0,1]=4 31725 B13R2.3 C1=C(CCCC1)c2ncccn2 271570a_100000062251_100000211032 [0,1,0,1,0,0|1,0,1]=4 31726 B13R2.3 C1=C(CCCO1)c2ccccn2 271570a_100010175576_100011216584 [0,1,0,1,0,0|0,0,2]=4 31727 B13R2.3 C1=C(CCNC1)c2ccccn2 271570a_100000731432_100011216584 [0,1,0,1,0,0|0,0,2]=4 31728 B13R2.3 C1=C(CCOC1)c2ccccn2 271570a_100000070234_100011216584 [0,1,0,1,0,0|0,0,2]=4 31729 B13R2.3 C1=C(CCSC1)c2ccccn2 271570a_100010232141_100011216584 [0,1,0,1,0,0|0,0,2]=4 31730 B13R2.3 C1=C(OCCC1)c2ccccn2 271570a_100010177797_100011216584 [0,1,0,1,0,0|0,0,2]=4 31731 B13R2.3 c1cc(ncn1)N2CCOCC2 27a_100015191051_100000703185 [0,1,0,1,0,0|2,0,0]=4 31732 B13R2.3 c1cc(ncn1)N2CCSCC2 27a_100000737611_100000703185 [0,1,0,1,0,0|2,0,0]=4 31733 B13R2.3 c1cnc(cn1)N2CCOCC2 27a_100015191051_100000211759 [0,1,0,1,0,0|2,0,0]=4 31734 B13R2.3 c1cnc(cn1)N2CCSCC2 27a_100000737611_100000211759 [0,1,0,1,0,0|2,0,0]=4 31735 B13R2.3 c1cnc(nc1)N2CCOCC2 27a_100015191051_100000211032 [0,1,0,1,0,0|2,0,0]=4 31736 B13R2.3 c1cnc(nc1)N2CCSCC2 27a_100000737611_100000211032 [0,1,0,1,0,0|2,0,0]=4 31737 B13R2.3 c1cnnc(c1)N2CCOCC2 27a_100015191051_100016991348 [0,1,0,1,0,0|2,0,0]=4 31738 B13R2.3 c1cnnc(c1)N2CCSCC2 27a_100000737611_100016991348 [0,1,0,1,0,0|2,0,0]=4 31739 B13R2.15 CC1SCCN1c2cccnn2 27a_200011216479_100016991348 [0,1,0,1,0,0|2,0,0]=4 31740 B13R2.15 CC1SCCN1c2ccncn2 27a_200011216479_100000703185 [0,1,0,1,0,0|2,0,0]=4 31741 B13R2.15 CC1SCCN1c2cnccn2 27a_200011216479_100000211759 [0,1,0,1,0,0|2,0,0]=4 31742 B13R2.15 CC1SCCN1c2ncccn2 27a_200011216479_100000211032 [0,1,0,1,0,0|2,0,0]=4 31743 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,1,0,1,0,0|1,0,0]=3 31744 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,1,0,1,0,0|1,0,0]=3 31745 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,1,0,1,0,0|1,0,0]=3 31746 B13R2.15 CN1CCCC1c2ccccn2 2230a_100000744244_200000210301 [0,1,0,1,0,0|0,0,0]=2 31747 B13R2.15 CN1CCCC1c2ccccn2 269982a_100000744244_200000210301 [0,1,0,1,0,0|0,0,0]=2 31748 B13R2.15 CN1CCCC1c2cccnc2 2230a_100000233489_200000210301 [0,1,0,1,0,0|2,0,0]=4 31749 B13R2.15 CN1CCCC1c2cccnc2 269982a_100000233489_200000210301 [0,1,0,1,0,0|2,0,0]=4 31750 B13R2.15 CN1CCCC1c2ccncc2 2230a_106446545576_200000210301 [0,1,0,1,0,0|2,0,0]=4 31751 B13R2.15 CN1CCCC1c2ccncc2 269982a_106446545576_200000210301 [0,1,0,1,0,0|2,0,0]=4 31752 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,1,0,1,0,0|2,0,0]=4 31753 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,1,0,1,0,0|2,0,0]=4 31754 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,1,0,1,0,0|2,0,0]=4 31755 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,1,0,1,0,0|2,0,0]=4 31756 B13R2.15 C[C@@H]1CCCN1c2cccnn2 27a_100015189458_100016991348 [0,1,0,1,0,0|1,0,0]=3 31757 B13R2.15 C[C@@H]1CCCN1c2ccncn2 27a_100015189458_100000703185 [0,1,0,1,0,0|1,0,0]=3 31758 B13R2.15 C[C@@H]1CCCN1c2cnccn2 27a_100015189458_100000211759 [0,1,0,1,0,0|1,0,0]=3 31759 B13R2.15 C[C@@H]1CCCN1c2ncccn2 27a_100015189458_100000211032 [0,1,0,1,0,0|1,0,0]=3 31760 B13R2.15 C[C@H]1CCCN1c2cccnn2 27a_100020605311_100016991348 [0,1,0,1,0,0|1,0,0]=3 31761 B13R2.15 C[C@H]1CCCN1c2ccncn2 27a_100020605311_100000703185 [0,1,0,1,0,0|1,0,0]=3 31762 B13R2.15 C[C@H]1CCCN1c2cnccn2 27a_100020605311_100000211759 [0,1,0,1,0,0|1,0,0]=3 31763 B13R2.15 C[C@H]1CCCN1c2ncccn2 27a_100020605311_100000211032 [0,1,0,1,0,0|1,0,0]=3 31764 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,1,0,1,0,0|1,0,0]=3 31765 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,1,0,1,0,0|1,0,0]=3 31766 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,1,0,1,0,0|1,0,0]=3 31767 B13R2.15 [13CH3]N1CCCC1c2ccccn2 2230a_100000744244_200025704644 [0,1,0,1,0,0|0,0,0]=2 31768 B13R2.15 [13CH3]N1CCCC1c2ccccn2 269982a_100000744244_200025704644 [0,1,0,1,0,0|0,0,0]=2 31769 B13R2.15 [13CH3]N1CCCC1c2cccnc2 2230a_100000233489_200025704644 [0,1,0,1,0,0|2,0,0]=4 31770 B13R2.15 [13CH3]N1CCCC1c2cccnc2 269982a_100000233489_200025704644 [0,1,0,1,0,0|2,0,0]=4 31771 B13R2.15 [13CH3]N1CCCC1c2ccncc2 2230a_106446545576_200025704644 [0,1,0,1,0,0|2,0,0]=4 31772 B13R2.15 [13CH3]N1CCCC1c2ccncc2 269982a_106446545576_200025704644 [0,1,0,1,0,0|2,0,0]=4 31773 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,1,0,1,0,0|2,0,0]=4 31774 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,1,0,1,0,0|2,0,0]=4 31775 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,1,0,1,0,0|2,0,0]=4 31776 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,1,0,1,0,0|2,0,0]=4 31777 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,1,0,1,0,0|2,0,0]=4 31778 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,1,0,1,0,0|2,0,0]=4 31779 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccn2 2230a_100025746932_100000721315 [0,1,0,1,0,0|1,0,0]=3 31780 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccn2 34a_100025746932_100000721315 [0,1,0,1,0,0|1,0,0]=3 31781 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnn2 2230a_100025746932_100016990269 [0,1,0,1,0,0|2,0,0]=4 31782 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnn2 34a_100025746932_100016990269 [0,1,0,1,0,0|2,0,0]=4 31783 B13R2.17 F[C@@H]1C[C@H]1NCc2cnccn2 2230a_100025746932_100016995436 [0,1,0,1,0,0|2,0,0]=4 31784 B13R2.17 F[C@@H]1C[C@H]1NCc2cnccn2 34a_100025746932_100016995436 [0,1,0,1,0,0|2,0,0]=4 31785 B13R2.17 F[C@@H]1C[C@H]1NCc2ncccn2 2230a_100025746932_100000703007 [0,1,0,1,0,0|2,0,0]=4 31786 B13R2.17 F[C@@H]1C[C@H]1NCc2ncccn2 34a_100025746932_100000703007 [0,1,0,1,0,0|2,0,0]=4 31787 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,1,0,1,0,0|2,0,0]=4 31788 B13R2.17 F[C@H]1C[C@H]1NCc2ccccn2 2230a_100015190264_100000721315 [0,1,0,1,0,0|1,0,0]=3 31789 B13R2.17 F[C@H]1C[C@H]1NCc2cccnn2 2230a_100015190264_100016990269 [0,1,0,1,0,0|2,0,0]=4 31790 B13R2.17 F[C@H]1C[C@H]1NCc2cnccn2 2230a_100015190264_100016995436 [0,1,0,1,0,0|2,0,0]=4 31791 B13R2.17 F[C@H]1C[C@H]1NCc2ncccn2 2230a_100015190264_100000703007 [0,1,0,1,0,0|2,0,0]=4 31792 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [0,1,0,1,0,0|1,0,0]=3 31793 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [0,1,0,1,0,0|1,0,0]=3 31794 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,1,0,1,0,0|1,0,0]=3 31795 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,1,0,1,0,0|1,0,0]=3 31796 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,1,0,1,0,0|2,0,0]=4 31797 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,1,0,1,0,0|2,0,0]=4 31798 B13R2.25 FCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015361967 [0,1,0,1,0,0|2,0,0]=4 31799 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,1,0,1,0,0|1,0,0]=3 31800 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,1,0,1,0,0|1,0,0]=3 31801 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,1,0,1,0,0|2,0,0]=4 31802 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,1,0,1,0,0|2,0,0]=4 31803 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,1,0,1,0,0|1,0,0]=3 31804 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,1,0,1,0,0|1,0,0]=3 31805 B13R2.27 CC1CCN1Cc2ccccn2 269982a_100000755817_100000721315 [0,1,0,1,0,0|0,0,0]=2 31806 B13R2.27 CC1CCN1Cc2ccccn2 34a_100000755817_100000721315 [0,1,0,1,0,0|0,0,0]=2 31807 B13R2.27 CC1CCN1Cc2cccnc2 269982a_100000755817_100000733263 [0,1,0,1,0,0|2,0,0]=4 31808 B13R2.27 CC1CCN1Cc2cccnc2 34a_100000755817_100000733263 [0,1,0,1,0,0|2,0,0]=4 31809 B13R2.27 CC1CCN1Cc2cccnn2 34a_100000755817_100016990269 [0,1,0,1,0,0|1,0,0]=3 31810 B13R2.27 CC1CCN1Cc2ccncc2 269982a_100000755817_100015193705 [0,1,0,1,0,0|2,0,0]=4 31811 B13R2.27 CC1CCN1Cc2cnccn2 269982a_100000755817_100016995436 [0,1,0,1,0,0|1,0,0]=3 31812 B13R2.27 CC1CCN1Cc2cnccn2 34a_100000755817_100016995436 [0,1,0,1,0,0|1,0,0]=3 31813 B13R2.27 CC1CCN1Cc2ncccn2 269982a_100000755817_100000703007 [0,1,0,1,0,0|1,0,0]=3 31814 B13R2.27 CC1CCN1Cc2ncccn2 34a_100000755817_100000703007 [0,1,0,1,0,0|1,0,0]=3 31815 B13R2.27 O=C1CCC1Sc2ccccn2 62a_100009892977_100011216584 [0,1,0,1,0,0|1,0,1]=4 31816 B13R2.27 O=C1CCC1Sc2ccccn2 62a_100011216584_100009892977 [0,1,0,1,0,0|1,0,1]=4 31817 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,1,0,1,0,0|1,0,0]=3 31818 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,1,0,1,0,0|1,0,0]=3 31819 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,1,0,1,0,0|1,0,0]=3 31820 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100015361967 [0,1,0,1,0,0|2,0,0]=4 31821 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015361967 [0,1,0,1,0,0|2,0,0]=4 31822 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,1,0,1,0,0|1,0,0]=3 31823 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,1,0,1,0,0|1,0,0]=3 31824 B13R2.56 FCN1CCC1c2ccccc2 269982a_100000739605_100015361967 [0,1,0,1,0,0|2,0,0]=4 31825 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [0,1,0,1,0,0|1,0,1]=4 31826 B13R2.64 C(=C1CCCC1)c2ccccn2 271570a_100010378317_100011216584 [0,1,0,1,0,0|0,0,1]=3 31827 B13R2.64 C(=C1CCCC1)c2cccnn2 271570a_100010378317_100016991348 [0,1,0,1,0,0|1,0,1]=4 31828 B13R2.64 C(=C1CCCC1)c2ccncn2 271570a_100010378317_100000703185 [0,1,0,1,0,0|1,0,1]=4 31829 B13R2.64 C(=C1CCCC1)c2cnccn2 271570a_100010378317_100000758340 [0,1,0,1,0,0|1,0,1]=4 31830 B13R2.64 C(=C1CCCC1)c2ncccn2 271570a_100010378317_100000211032 [0,1,0,1,0,0|1,0,1]=4 31831 B13R2.64 C1=CCN(C1)Cc2ccccn2 269982a_100015195280_100000721315 [0,1,0,1,0,0|0,0,2]=4 31832 B13R2.64 c1cc(ccn1)CN2CCCC2 2230a_100000188435_100015193705 [0,1,0,1,0,0|2,0,0]=4 31833 B13R2.64 c1cc(ccn1)CN2CCCC2 269982a_100000188435_100015193705 [0,1,0,1,0,0|2,0,0]=4 31834 B13R2.64 c1cc(ccn1)OC2CCCC2 34a_100000212176_100000179811 [0,1,0,1,0,0|2,0,0]=4 31835 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100000728582_100000179811 [0,1,0,1,0,0|2,0,0]=4 31836 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100011217020_100000728582 [0,1,0,1,0,0|2,0,0]=4 31837 B13R2.64 c1cc(ncn1)NC2CCCC2 27a_100000211070_100000703185 [0,1,0,1,0,0|1,0,0]=3 31838 B13R2.64 c1cc(ncn1)N[C@@H]2CCOC2 27a_200015188469_100000703185 [0,1,0,1,0,0|2,0,0]=4 31839 B13R2.64 c1cc(ncn1)N[C@H]2CCOC2 27a_100015188467_100000703185 [0,1,0,1,0,0|2,0,0]=4 31840 B13R2.64 c1cc(ncn1)SC2CCCC2 62a_100000703185_100000179811 [0,1,0,1,0,0|1,0,0]=3 31841 B13R2.64 c1cc(ncn1)SC2CCCC2 62a_100011217020_100000703185 [0,1,0,1,0,0|1,0,0]=3 31842 B13R2.64 c1cc(ncn1)SC2CCOC2 62a_100000703185_100000690089 [0,1,0,1,0,0|2,0,0]=4 31843 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,1,0,1,0,0|1,0,0]=3 31844 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,1,0,1,0,0|1,0,0]=3 31845 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,1,0,1,0,0|1,0,0]=3 31846 B13R2.64 c1ccc(cc1)CN2CCSC2 2230a_100011215254_100015291786 [0,1,0,1,0,0|2,0,0]=4 31847 B13R2.64 c1ccc(cc1)CN2CCSC2 269982a_100011215254_100000211182 [0,1,0,1,0,0|2,0,0]=4 31848 B13R2.64 c1ccc(cc1)CN2CCSC2 270004a_100011215254_100015611070 [0,1,0,1,0,0|2,0,0]=4 31849 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,1,0,1,0,0|1,0,0]=3 31850 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [0,1,0,1,0,0|2,0,0]=4 31851 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,1,0,1,0,0|1,0,0]=3 31852 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,1,0,1,0,0|1,0,0]=3 31853 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [0,1,0,1,0,0|2,0,0]=4 31854 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [0,1,0,1,0,0|2,0,0]=4 31855 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,1,0,1,0,0|1,0,0]=3 31856 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,1,0,1,0,0|1,0,0]=3 31857 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [0,1,0,1,0,0|2,0,0]=4 31858 B13R2.64 c1ccc(nc1)CN2CCCC2 2230a_100000188435_100000721315 [0,1,0,1,0,0|0,0,0]=2 31859 B13R2.64 c1ccc(nc1)CN2CCCC2 269982a_100000188435_100000721315 [0,1,0,1,0,0|0,0,0]=2 31860 B13R2.64 c1ccc(nc1)CN2CCCC2 270004a_100000188435_100000209966 [0,1,0,1,0,0|0,0,0]=2 31861 B13R2.64 c1ccc(nc1)CN2CCSC2 2230a_100011215254_100000721315 [0,1,0,1,0,0|1,0,0]=3 31862 B13R2.64 c1ccc(nc1)CN2CCSC2 269982a_100011215254_100000721315 [0,1,0,1,0,0|1,0,0]=3 31863 B13R2.64 c1ccc(nc1)CN2CCSC2 270004a_100011215254_100000209966 [0,1,0,1,0,0|1,0,0]=3 31864 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011216584_100000179811 [0,1,0,1,0,0|0,0,0]=2 31865 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011217020_100011216584 [0,1,0,1,0,0|0,0,0]=2 31866 B13R2.64 c1ccc(nc1)SC2CCOC2 62a_100011216584_100000690089 [0,1,0,1,0,0|1,0,0]=3 31867 B13R2.64 c1cnc(cn1)CN2CCCC2 2230a_100000188435_100016995436 [0,1,0,1,0,0|1,0,0]=3 31868 B13R2.64 c1cnc(cn1)CN2CCCC2 269982a_100000188435_100016995436 [0,1,0,1,0,0|1,0,0]=3 31869 B13R2.64 c1cnc(cn1)CN2CCCC2 270004a_100000188435_100000749867 [0,1,0,1,0,0|1,0,0]=3 31870 B13R2.64 c1cnc(cn1)CN2CCSC2 2230a_100011215254_100016995436 [0,1,0,1,0,0|2,0,0]=4 31871 B13R2.64 c1cnc(cn1)CN2CCSC2 269982a_100011215254_100016995436 [0,1,0,1,0,0|2,0,0]=4 31872 B13R2.64 c1cnc(cn1)CN2CCSC2 270004a_100011215254_100000749867 [0,1,0,1,0,0|2,0,0]=4 31873 B13R2.64 c1cnc(cn1)NC2CCCC2 27a_100000211070_100000211759 [0,1,0,1,0,0|1,0,0]=3 31874 B13R2.64 c1cnc(cn1)N[C@@H]2CCOC2 27a_200015188469_100000211759 [0,1,0,1,0,0|2,0,0]=4 31875 B13R2.64 c1cnc(cn1)N[C@H]2CCOC2 27a_100015188467_100000211759 [0,1,0,1,0,0|2,0,0]=4 31876 B13R2.64 c1cnc(cn1)SC2CCCC2 62a_100000211759_100000179811 [0,1,0,1,0,0|1,0,0]=3 31877 B13R2.64 c1cnc(cn1)SC2CCCC2 62a_100011217020_100000211759 [0,1,0,1,0,0|1,0,0]=3 31878 B13R2.64 c1cnc(cn1)SC2CCOC2 62a_100000211759_100000690089 [0,1,0,1,0,0|2,0,0]=4 31879 B13R2.64 c1cnc(nc1)CN2CCCC2 2230a_100000188435_100000703007 [0,1,0,1,0,0|1,0,0]=3 31880 B13R2.64 c1cnc(nc1)CN2CCCC2 269982a_100000188435_100000703007 [0,1,0,1,0,0|1,0,0]=3 31881 B13R2.64 c1cnc(nc1)CN2CCCC2 270004a_100000188435_100011532527 [0,1,0,1,0,0|1,0,0]=3 31882 B13R2.64 c1cnc(nc1)CN2CCSC2 2230a_100011215254_100000703007 [0,1,0,1,0,0|2,0,0]=4 31883 B13R2.64 c1cnc(nc1)CN2CCSC2 269982a_100011215254_100000703007 [0,1,0,1,0,0|2,0,0]=4 31884 B13R2.64 c1cnc(nc1)CN2CCSC2 270004a_100011215254_100011532527 [0,1,0,1,0,0|2,0,0]=4 31885 B13R2.64 c1cnc(nc1)NC2CCCC2 27a_100000211070_100000211032 [0,1,0,1,0,0|1,0,0]=3 31886 B13R2.64 c1cnc(nc1)N[C@@H]2CCOC2 27a_200015188469_100000211032 [0,1,0,1,0,0|2,0,0]=4 31887 B13R2.64 c1cnc(nc1)N[C@H]2CCOC2 27a_100015188467_100000211032 [0,1,0,1,0,0|2,0,0]=4 31888 B13R2.64 c1cnc(nc1)SC2CCCC2 62a_100000211032_100000179811 [0,1,0,1,0,0|1,0,0]=3 31889 B13R2.64 c1cnc(nc1)SC2CCCC2 62a_100011217020_100000211032 [0,1,0,1,0,0|1,0,0]=3 31890 B13R2.64 c1cnc(nc1)SC2CCOC2 62a_100000211032_100000690089 [0,1,0,1,0,0|2,0,0]=4 31891 B13R2.64 c1cncc(c1)CN2CCCC2 2230a_100000188435_100000741622 [0,1,0,1,0,0|2,0,0]=4 31892 B13R2.64 c1cncc(c1)CN2CCCC2 269982a_100000188435_100000733263 [0,1,0,1,0,0|2,0,0]=4 31893 B13R2.64 c1cncc(c1)CN2CCCC2 270004a_100000188435_100000209961 [0,1,0,1,0,0|2,0,0]=4 31894 B13R2.64 c1cncc(c1)OC2CCCC2 34a_100000210849_100000179811 [0,1,0,1,0,0|2,0,0]=4 31895 B13R2.64 c1cncc(c1)OC2CCCC2 7a_100000210849_100000179811 [0,1,0,1,0,0|2,0,0]=4 31896 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100000210063_100000179811 [0,1,0,1,0,0|2,0,0]=4 31897 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100011217020_100000210063 [0,1,0,1,0,0|2,0,0]=4 31898 B13R2.64 c1cnnc(c1)CN2CCCC2 2230a_100000188435_100016990269 [0,1,0,1,0,0|1,0,0]=3 31899 B13R2.64 c1cnnc(c1)CN2CCSC2 2230a_100011215254_100016990269 [0,1,0,1,0,0|2,0,0]=4 31900 B13R2.64 c1cnnc(c1)NC2CCCC2 27a_100000211070_100016991348 [0,1,0,1,0,0|1,0,0]=3 31901 B13R2.64 c1cnnc(c1)N[C@@H]2CCOC2 27a_200015188469_100016991348 [0,1,0,1,0,0|2,0,0]=4 31902 B13R2.64 c1cnnc(c1)N[C@H]2CCOC2 27a_100015188467_100016991348 [0,1,0,1,0,0|2,0,0]=4 31903 B13R2.64 c1cnnc(c1)SC2CCCC2 62a_100011217020_100016991348 [0,1,0,1,0,0|1,0,0]=3 31904 B13R2.64 c1cnnc(c1)SC2CCCC2 62a_100016991348_100000179811 [0,1,0,1,0,0|1,0,0]=3 31905 B13R2.64 c1cnnc(c1)SC2CCOC2 62a_100016991348_100000690089 [0,1,0,1,0,0|2,0,0]=4 31906 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,1,0,1,0,0|1,0,0]=3 31907 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,1,0,1,0,0|1,0,0]=3 31908 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [0,1,0,1,0,0|1,0,0]=3 31909 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [0,1,0,1,0,0|1,0,0]=3 31910 B13R2.1028 COCSC1Cc2c1cccc2 62a_100000766300_100009813401 [0,1,0,1,0,0|2,0,0]=4 31911 B13R2.1028 COCSC1Cc2c1cccc2 62a_100009813401_100000766300 [0,1,0,1,0,0|2,0,0]=4 31912 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100009813401_100011218213 [0,1,0,1,0,0|2,0,0]=4 31913 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100011218213_100009813401 [0,1,0,1,0,0|2,0,0]=4 31914 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100009813401_100011217306 [0,1,0,1,0,0|2,0,0]=4 31915 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100011217306_100009813401 [0,1,0,1,0,0|2,0,0]=4 31916 B13R2.1028 FCOCC1Cc2c1cccc2 34a_100012476685_100015361967 [0,1,0,1,0,0|2,0,0]=4 31917 B13R2.1028 FCOCC1Cc2c1cccc2 7a_100012476685_100015361967 [0,1,0,1,0,0|2,0,0]=4 31918 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100000211926_100009813401 [0,1,0,1,0,0|2,0,0]=4 31919 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100009813401_100000211926 [0,1,0,1,0,0|2,0,0]=4 31920 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,1,0,1,0,0|1,0,0]=3 31921 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,1,0,1,0,0|0,0,0]=2 31922 B13R2.1613 CNC1CCCc2c1ccnc2 2230a_100020634316_200000210301 [0,1,0,1,0,0|2,0,0]=4 31923 B13R2.1613 CNC1CCCc2c1ccnc2 269862a_106832991636_100000087567 [0,1,0,1,0,0|2,0,0]=4 31924 B13R2.1613 CNC1CCCc2c1cncc2 269862a_106832991636_100016991936 [0,1,0,1,0,0|2,0,0]=4 31925 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,1,0,1,0,0|2,0,0]=4 31926 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,1,0,1,0,0|2,0,0]=4 31927 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,1,0,0|2,0,0]=4 31928 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,1,0,1,0,0|2,0,0]=4 31929 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,1,0,1,0,0|2,0,0]=4 31930 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,1,0,1,0,0|1,0,0]=3 31931 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 31932 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 31933 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,1,0,0|2,0,0]=4 31934 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,1,0,1,0,0|2,0,0]=4 31935 B13R2.1613 [13CH3]NC1CCCc2c1ccnc2 2230a_100020634316_200025704644 [0,1,0,1,0,0|2,0,0]=4 31936 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,1,0,1,0,0|2,0,0]=4 31937 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,1,0,0|2,0,0]=4 31938 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,1,0,1,0,0|1,0,0]=3 31939 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 31940 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 31941 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,1,0,0|2,0,0]=4 31942 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,1,0,1,0,0|2,0,0]=4 31943 B13R2.2382 C(=NNC1CC1)c2ccccn2 4a_100000701032_100000209966 [0,1,0,1,0,0|1,0,1]=4 31944 B13R2.2382 C(=NNc1ccccn1)C2CC2 4a_100000183288_100000741477 [0,1,0,1,0,0|1,0,1]=4 31945 B13R2.2382 c1cc(ccn1)CCOC2CC2 34a_100011216225_100000211595 [0,1,0,1,0,0|2,0,0]=4 31946 B13R2.2382 c1cc(ccn1)CCSC2CC2 62a_100000723409_100000211595 [0,1,0,1,0,0|2,0,0]=4 31947 B13R2.2382 c1cc(ccn1)CNCC2CC2 207a_100000735609_100000186114 [0,1,0,1,0,0|2,0,0]=4 31948 B13R2.2382 c1cc(ccn1)CNCC2CC2 2230a_100000735609_100015193705 [0,1,0,1,0,0|2,0,0]=4 31949 B13R2.2382 c1cc(ccn1)CNCC2CC2 269862a_100000210450_100000741477 [0,1,0,1,0,0|2,0,0]=4 31950 B13R2.2382 c1cc(ccn1)CSCC2CC2 62a_100000756562_100015193705 [0,1,0,1,0,0|2,0,0]=4 31951 B13R2.2382 c1cc(ccn1)CSCC2CC2 62a_100015193705_100000742324 [0,1,0,1,0,0|2,0,0]=4 31952 B13R2.2382 c1cc(ccn1)OCCC2CC2 34a_100000212176_100000694398 [0,1,0,1,0,0|2,0,0]=4 31953 B13R2.2382 c1cc(ccn1)SCCC2CC2 62a_100000728582_100000764125 [0,1,0,1,0,0|2,0,0]=4 31954 B13R2.2382 c1cc(ccn1)SCCC2CC2 62a_100000764125_100000728582 [0,1,0,1,0,0|2,0,0]=4 31955 B13R2.2382 c1cc(ncn1)NCCC2CC2 27a_100000764129_100000703185 [0,1,0,1,0,0|1,0,0]=3 31956 B13R2.2382 c1cc(ncn1)SCCC2CC2 62a_100000703185_100000764125 [0,1,0,1,0,0|1,0,0]=3 31957 B13R2.2382 c1cc(ncn1)SCCC2CC2 62a_100000764125_100000703185 [0,1,0,1,0,0|1,0,0]=3 31958 B13R2.2382 c1cc(ncn1)SCCC2CO2 62a_100000703185_100000732470 [0,1,0,1,0,0|2,0,0]=4 31959 B13R2.2382 c1cc(ncn1)SCCC2CO2 62a_100000732470_100000703185 [0,1,0,1,0,0|2,0,0]=4 31960 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000106460_100000211595 [0,1,0,1,0,0|1,0,0]=3 31961 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000212008_100000765856 [0,1,0,1,0,0|1,0,0]=3 31962 B13R2.2382 c1ccc(cc1)CCOC2CC2 34a_100000210268_100000211595 [0,1,0,1,0,0|1,0,0]=3 31963 B13R2.2382 c1ccc(cc1)CCSC2CC2 62a_100000765856_100000211595 [0,1,0,1,0,0|1,0,0]=3 31964 B13R2.2382 c1ccc(cc1)CNCC2CC2 207a_100000735609_100015611070 [0,1,0,1,0,0|1,0,0]=3 31965 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100000735609_100015291786 [0,1,0,1,0,0|1,0,0]=3 31966 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100015324214_100000742324 [0,1,0,1,0,0|1,0,0]=3 31967 B13R2.2382 c1ccc(cc1)CNCC2CC2 269862a_100015324214_100000741477 [0,1,0,1,0,0|1,0,0]=3 31968 B13R2.2382 c1ccc(cc1)CNCC2CC2 270004a_100000735609_100015611070 [0,1,0,1,0,0|1,0,0]=3 31969 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100000735609_100015291786 [0,1,0,1,0,0|1,0,0]=3 31970 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100015324214_100000742324 [0,1,0,1,0,0|1,0,0]=3 31971 B13R2.2382 c1ccc(cc1)CNCC2CO2 2230a_100015324214_100011216344 [0,1,0,1,0,0|2,0,0]=4 31972 B13R2.2382 c1ccc(cc1)CNCC2CO2 34a_100015324214_102125554688 [0,1,0,1,0,0|2,0,0]=4 31973 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000210790_100000742324 [0,1,0,1,0,0|1,0,0]=3 31974 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000211283_100015291786 [0,1,0,1,0,0|1,0,0]=3 31975 B13R2.2382 c1ccc(cc1)COCC2CC2 7a_100000210790_100000742324 [0,1,0,1,0,0|1,0,0]=3 31976 B13R2.2382 c1ccc(cc1)COCC2CO2 34a_100000210790_102125554688 [0,1,0,1,0,0|2,0,0]=4 31977 B13R2.2382 c1ccc(cc1)COCC2CO2 7a_100000210790_102125554688 [0,1,0,1,0,0|2,0,0]=4 31978 B13R2.2382 c1ccc(cc1)COCC2CS2 7a_100000210790_100000031435 [0,1,0,1,0,0|2,0,0]=4 31979 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100015291786 [0,1,0,1,0,0|2,0,0]=4 31980 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 7a_100000210790_100000745022 [0,1,0,1,0,0|2,0,0]=4 31981 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000211182_100000742324 [0,1,0,1,0,0|1,0,0]=3 31982 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000756562_100015291786 [0,1,0,1,0,0|1,0,0]=3 31983 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_100000211182_102125554688 [0,1,0,1,0,0|2,0,0]=4 31984 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_102125554688_100015291786 [0,1,0,1,0,0|2,0,0]=4 31985 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000031435_100015291786 [0,1,0,1,0,0|2,0,0]=4 31986 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000211182_100000031435 [0,1,0,1,0,0|2,0,0]=4 31987 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000211182_100000745022 [0,1,0,1,0,0|2,0,0]=4 31988 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100015291786 [0,1,0,1,0,0|2,0,0]=4 31989 B13R2.2382 c1ccc(cc1)NCCC2CC2 34a_100000106764_100000694398 [0,1,0,1,0,0|1,0,0]=3 31990 B13R2.2382 c1ccc(cc1)NCCC2CO2 34a_100000106764_100000732470 [0,1,0,1,0,0|2,0,0]=4 31991 B13R2.2382 c1ccc(cc1)OCCC2CC2 34a_100000210340_100000694398 [0,1,0,1,0,0|1,0,0]=3 31992 B13R2.2382 c1ccc(cc1)OCCC2CC2 7a_100000210340_100000764125 [0,1,0,1,0,0|1,0,0]=3 31993 B13R2.2382 c1ccc(cc1)OCCC2CO2 34a_100000210340_100000732470 [0,1,0,1,0,0|2,0,0]=4 31994 B13R2.2382 c1ccc(cc1)OCCC2CO2 7a_100000210340_100000732470 [0,1,0,1,0,0|2,0,0]=4 31995 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000719477_100000764125 [0,1,0,1,0,0|1,0,0]=3 31996 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000764125_100000041952 [0,1,0,1,0,0|1,0,0]=3 31997 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000719477_100000732470 [0,1,0,1,0,0|2,0,0]=4 31998 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000732470_100000041952 [0,1,0,1,0,0|2,0,0]=4 31999 B13R2.2382 c1ccc(cc1)SCSC2CC2 62a_100011218342_100000211595 [0,1,0,1,0,0|2,0,0]=4 32000 B13R2.2382 c1ccc(nc1)CCOC2CC2 34a_100000210271_100000211595 [0,1,0,1,0,0|0,0,0]=2 32001 B13R2.2382 c1ccc(nc1)CCSC2CC2 62a_100015183660_100000211595 [0,1,0,1,0,0|0,0,0]=2 32002 B13R2.2382 c1ccc(nc1)CNCC2CC2 207a_100000735609_100000209966 [0,1,0,1,0,0|0,0,0]=2 32003 B13R2.2382 c1ccc(nc1)CNCC2CC2 2230a_100000735609_100000721315 [0,1,0,1,0,0|0,0,0]=2 32004 B13R2.2382 c1ccc(nc1)CNCC2CC2 270004a_100000735609_100000209966 [0,1,0,1,0,0|0,0,0]=2 32005 B13R2.2382 c1ccc(nc1)CNCC2CC2 34a_100000735609_100000721315 [0,1,0,1,0,0|0,0,0]=2 32006 B13R2.2382 c1ccc(nc1)COCC2CC2 34a_100000211283_100000721315 [0,1,0,1,0,0|0,0,0]=2 32007 B13R2.2382 c1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100000721315 [0,1,0,1,0,0|1,0,0]=3 32008 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000721315_100000742324 [0,1,0,1,0,0|0,0,0]=2 32009 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000756562_100000721315 [0,1,0,1,0,0|0,0,0]=2 32010 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_100000721315_102125554688 [0,1,0,1,0,0|1,0,0]=3 32011 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_102125554688_100000721315 [0,1,0,1,0,0|1,0,0]=3 32012 B13R2.2382 c1ccc(nc1)CSCC2CS2 62a_100000031435_100000721315 [0,1,0,1,0,0|1,0,0]=3 32013 B13R2.2382 c1ccc(nc1)CSCC2CS2 62a_100000721315_100000031435 [0,1,0,1,0,0|1,0,0]=3 32014 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000721315_100000745022 [0,1,0,1,0,0|1,0,0]=3 32015 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000721315 [0,1,0,1,0,0|1,0,0]=3 32016 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100000764125_100011216584 [0,1,0,1,0,0|0,0,0]=2 32017 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100011216584_100000764125 [0,1,0,1,0,0|0,0,0]=2 32018 B13R2.2382 c1ccc(nc1)SCCC2CO2 62a_100000732470_100011216584 [0,1,0,1,0,0|1,0,0]=3 32019 B13R2.2382 c1ccc(nc1)SCCC2CO2 62a_100011216584_100000732470 [0,1,0,1,0,0|1,0,0]=3 32020 B13R2.2382 c1cnc(cn1)CCOC2CC2 34a_100011349526_100000211595 [0,1,0,1,0,0|1,0,0]=3 32021 B13R2.2382 c1cnc(cn1)CNCC2CC2 2230a_100000735609_100016995436 [0,1,0,1,0,0|1,0,0]=3 32022 B13R2.2382 c1cnc(cn1)CNCC2CC2 270004a_100000735609_100000749867 [0,1,0,1,0,0|1,0,0]=3 32023 B13R2.2382 c1cnc(cn1)CNCC2CC2 34a_100000735609_100016995436 [0,1,0,1,0,0|1,0,0]=3 32024 B13R2.2382 c1cnc(cn1)COCC2CC2 34a_100000211283_100016995436 [0,1,0,1,0,0|1,0,0]=3 32025 B13R2.2382 c1cnc(cn1)COC[C@@H]2CO2 34a_100000757423_100016995436 [0,1,0,1,0,0|2,0,0]=4 32026 B13R2.2382 c1cnc(cn1)CSCC2CC2 62a_100000756562_100016995436 [0,1,0,1,0,0|1,0,0]=3 32027 B13R2.2382 c1cnc(cn1)CSCC2CC2 62a_100016995436_100000742324 [0,1,0,1,0,0|1,0,0]=3 32028 B13R2.2382 c1cnc(cn1)CSCC2CO2 62a_100016995436_102125554688 [0,1,0,1,0,0|2,0,0]=4 32029 B13R2.2382 c1cnc(cn1)CSCC2CO2 62a_102125554688_100016995436 [0,1,0,1,0,0|2,0,0]=4 32030 B13R2.2382 c1cnc(cn1)CSCC2CS2 62a_100000031435_100016995436 [0,1,0,1,0,0|2,0,0]=4 32031 B13R2.2382 c1cnc(cn1)CSCC2CS2 62a_100016995436_100000031435 [0,1,0,1,0,0|2,0,0]=4 32032 B13R2.2382 c1cnc(cn1)CSC[C@@H]2CO2 62a_100000745022_100016995436 [0,1,0,1,0,0|2,0,0]=4 32033 B13R2.2382 c1cnc(cn1)CSC[C@@H]2CO2 62a_100016995436_100000745022 [0,1,0,1,0,0|2,0,0]=4 32034 B13R2.2382 c1cnc(cn1)NCCC2CC2 27a_100000764129_100000211759 [0,1,0,1,0,0|1,0,0]=3 32035 B13R2.2382 c1cnc(cn1)SCCC2CC2 62a_100000211759_100000764125 [0,1,0,1,0,0|1,0,0]=3 32036 B13R2.2382 c1cnc(cn1)SCCC2CC2 62a_100000764125_100000211759 [0,1,0,1,0,0|1,0,0]=3 32037 B13R2.2382 c1cnc(cn1)SCCC2CO2 62a_100000211759_100000732470 [0,1,0,1,0,0|2,0,0]=4 32038 B13R2.2382 c1cnc(cn1)SCCC2CO2 62a_100000732470_100000211759 [0,1,0,1,0,0|2,0,0]=4 32039 B13R2.2382 c1cnc(nc1)CNCC2CC2 2230a_100000735609_100000703007 [0,1,0,1,0,0|1,0,0]=3 32040 B13R2.2382 c1cnc(nc1)CNCC2CC2 270004a_100000735609_100011532527 [0,1,0,1,0,0|1,0,0]=3 32041 B13R2.2382 c1cnc(nc1)CNCC2CC2 34a_100000735609_100000703007 [0,1,0,1,0,0|1,0,0]=3 32042 B13R2.2382 c1cnc(nc1)COCC2CC2 34a_100000211283_100000703007 [0,1,0,1,0,0|1,0,0]=3 32043 B13R2.2382 c1cnc(nc1)COC[C@@H]2CO2 34a_100000757423_100000703007 [0,1,0,1,0,0|2,0,0]=4 32044 B13R2.2382 c1cnc(nc1)CSCC2CC2 62a_100000703007_100000742324 [0,1,0,1,0,0|1,0,0]=3 32045 B13R2.2382 c1cnc(nc1)CSCC2CC2 62a_100000756562_100000703007 [0,1,0,1,0,0|1,0,0]=3 32046 B13R2.2382 c1cnc(nc1)CSCC2CO2 62a_100000703007_102125554688 [0,1,0,1,0,0|2,0,0]=4 32047 B13R2.2382 c1cnc(nc1)CSCC2CO2 62a_102125554688_100000703007 [0,1,0,1,0,0|2,0,0]=4 32048 B13R2.2382 c1cnc(nc1)CSCC2CS2 62a_100000031435_100000703007 [0,1,0,1,0,0|2,0,0]=4 32049 B13R2.2382 c1cnc(nc1)CSCC2CS2 62a_100000703007_100000031435 [0,1,0,1,0,0|2,0,0]=4 32050 B13R2.2382 c1cnc(nc1)CSC[C@@H]2CO2 62a_100000703007_100000745022 [0,1,0,1,0,0|2,0,0]=4 32051 B13R2.2382 c1cnc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000703007 [0,1,0,1,0,0|2,0,0]=4 32052 B13R2.2382 c1cnc(nc1)NCCC2CC2 27a_100000764129_100000211032 [0,1,0,1,0,0|1,0,0]=3 32053 B13R2.2382 c1cnc(nc1)SCCC2CC2 62a_100000211032_100000764125 [0,1,0,1,0,0|1,0,0]=3 32054 B13R2.2382 c1cnc(nc1)SCCC2CC2 62a_100000764125_100000211032 [0,1,0,1,0,0|1,0,0]=3 32055 B13R2.2382 c1cnc(nc1)SCCC2CO2 62a_100000211032_100000732470 [0,1,0,1,0,0|2,0,0]=4 32056 B13R2.2382 c1cnc(nc1)SCCC2CO2 62a_100000732470_100000211032 [0,1,0,1,0,0|2,0,0]=4 32057 B13R2.2382 c1cncc(c1)CCOC2CC2 34a_100011217484_100000211595 [0,1,0,1,0,0|2,0,0]=4 32058 B13R2.2382 c1cncc(c1)CCSC2CC2 62a_200011713674_100000211595 [0,1,0,1,0,0|2,0,0]=4 32059 B13R2.2382 c1cncc(c1)CNCC2CC2 207a_100000735609_100000209961 [0,1,0,1,0,0|2,0,0]=4 32060 B13R2.2382 c1cncc(c1)CNCC2CC2 2230a_100000735609_100000741622 [0,1,0,1,0,0|2,0,0]=4 32061 B13R2.2382 c1cncc(c1)CNCC2CC2 269862a_100000210453_100000741477 [0,1,0,1,0,0|2,0,0]=4 32062 B13R2.2382 c1cncc(c1)CNCC2CC2 270004a_100000735609_100000209961 [0,1,0,1,0,0|2,0,0]=4 32063 B13R2.2382 c1cncc(c1)CNCC2CC2 34a_100000735609_100000733263 [0,1,0,1,0,0|2,0,0]=4 32064 B13R2.2382 c1cncc(c1)COCC2CC2 34a_100000211283_100000733263 [0,1,0,1,0,0|2,0,0]=4 32065 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000741622_100000742324 [0,1,0,1,0,0|2,0,0]=4 32066 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000756562_100000741622 [0,1,0,1,0,0|2,0,0]=4 32067 B13R2.2382 c1cncc(c1)OCCC2CC2 34a_100000210849_100000694398 [0,1,0,1,0,0|2,0,0]=4 32068 B13R2.2382 c1cncc(c1)OCCC2CC2 7a_100000210849_100000764125 [0,1,0,1,0,0|2,0,0]=4 32069 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000210063_100000764125 [0,1,0,1,0,0|2,0,0]=4 32070 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000764125_100000210063 [0,1,0,1,0,0|2,0,0]=4 32071 B13R2.2382 c1cnnc(c1)CNCC2CC2 2230a_100000735609_100016990269 [0,1,0,1,0,0|1,0,0]=3 32072 B13R2.2382 c1cnnc(c1)CNCC2CC2 2230a_100159270163_100000742324 [0,1,0,1,0,0|1,0,0]=3 32073 B13R2.2382 c1cnnc(c1)CNCC2CC2 269862a_100159270163_100000741477 [0,1,0,1,0,0|1,0,0]=3 32074 B13R2.2382 c1cnnc(c1)CNCC2CC2 34a_100000735609_100016990269 [0,1,0,1,0,0|1,0,0]=3 32075 B13R2.2382 c1cnnc(c1)CNCC2CO2 2230a_100159270163_100011216344 [0,1,0,1,0,0|2,0,0]=4 32076 B13R2.2382 c1cnnc(c1)COCC2CC2 34a_100000211283_100016990269 [0,1,0,1,0,0|1,0,0]=3 32077 B13R2.2382 c1cnnc(c1)COC[C@@H]2CO2 34a_100000757423_100016990269 [0,1,0,1,0,0|2,0,0]=4 32078 B13R2.2382 c1cnnc(c1)CSCC2CC2 62a_100000756562_100016990269 [0,1,0,1,0,0|1,0,0]=3 32079 B13R2.2382 c1cnnc(c1)CSCC2CC2 62a_100016990269_100000742324 [0,1,0,1,0,0|1,0,0]=3 32080 B13R2.2382 c1cnnc(c1)CSCC2CO2 62a_100016990269_102125554688 [0,1,0,1,0,0|2,0,0]=4 32081 B13R2.2382 c1cnnc(c1)CSCC2CO2 62a_102125554688_100016990269 [0,1,0,1,0,0|2,0,0]=4 32082 B13R2.2382 c1cnnc(c1)CSCC2CS2 62a_100000031435_100016990269 [0,1,0,1,0,0|2,0,0]=4 32083 B13R2.2382 c1cnnc(c1)CSCC2CS2 62a_100016990269_100000031435 [0,1,0,1,0,0|2,0,0]=4 32084 B13R2.2382 c1cnnc(c1)CSC[C@@H]2CO2 62a_100000745022_100016990269 [0,1,0,1,0,0|2,0,0]=4 32085 B13R2.2382 c1cnnc(c1)CSC[C@@H]2CO2 62a_100016990269_100000745022 [0,1,0,1,0,0|2,0,0]=4 32086 B13R2.2382 c1cnnc(c1)NCCC2CC2 27a_100000764129_100016991348 [0,1,0,1,0,0|1,0,0]=3 32087 B13R2.2382 c1cnnc(c1)SCCC2CC2 62a_100000764125_100016991348 [0,1,0,1,0,0|1,0,0]=3 32088 B13R2.2382 c1cnnc(c1)SCCC2CC2 62a_100016991348_100000764125 [0,1,0,1,0,0|1,0,0]=3 32089 B13R2.2382 c1cnnc(c1)SCCC2CO2 62a_100000732470_100016991348 [0,1,0,1,0,0|2,0,0]=4 32090 B13R2.2382 c1cnnc(c1)SCCC2CO2 62a_100016991348_100000732470 [0,1,0,1,0,0|2,0,0]=4 32091 B13R2.2383 c1cc(ccn1)CCN2CCC2 269982a_100000754969_100000723409 [0,1,0,1,0,0|2,0,0]=4 32092 B13R2.2383 c1cc(ccn1)CNC2CCC2 2230a_100000749019_100015193705 [0,1,0,1,0,0|2,0,0]=4 32093 B13R2.2383 c1cc(ccn1)CSC2CCC2 62a_100015193705_100000749161 [0,1,0,1,0,0|2,0,0]=4 32094 B13R2.2383 c1cc(ccn1)OCC2CCC2 34a_100000212176_100000763275 [0,1,0,1,0,0|2,0,0]=4 32095 B13R2.2383 c1cc(ccn1)SCC2CCC2 62a_100000728582_100000763275 [0,1,0,1,0,0|2,0,0]=4 32096 B13R2.2383 c1cc(ccn1)SCC2CCC2 62a_100000763275_100000728582 [0,1,0,1,0,0|2,0,0]=4 32097 B13R2.2383 c1cc(ncn1)NCC2CCC2 27a_100000738700_100000703185 [0,1,0,1,0,0|1,0,0]=3 32098 B13R2.2383 c1cc(ncn1)NCC2COC2 27a_100015281925_100000703185 [0,1,0,1,0,0|2,0,0]=4 32099 B13R2.2383 c1cc(ncn1)NC[C@@H]2CCO2 27a_100020831831_100000703185 [0,1,0,1,0,0|2,0,0]=4 32100 B13R2.2383 c1cc(ncn1)SCC2CCC2 62a_100000703185_100000763275 [0,1,0,1,0,0|1,0,0]=3 32101 B13R2.2383 c1cc(ncn1)SCC2CCC2 62a_100000763275_100000703185 [0,1,0,1,0,0|1,0,0]=3 32102 B13R2.2383 c1cc(ncn1)SCC2CCO2 62a_100000103362_100000703185 [0,1,0,1,0,0|2,0,0]=4 32103 B13R2.2383 c1cc(ncn1)SCC2CCO2 62a_100000703185_100000103362 [0,1,0,1,0,0|2,0,0]=4 32104 B13R2.2383 c1cc(ncn1)SCC2COC2 62a_100000703185_100010264016 [0,1,0,1,0,0|2,0,0]=4 32105 B13R2.2383 c1cc(ncn1)SCC2COC2 62a_100010264016_100000703185 [0,1,0,1,0,0|2,0,0]=4 32106 B13R2.2383 c1ccc(cc1)CCN2CCC2 269982a_100000754969_100000765856 [0,1,0,1,0,0|1,0,0]=3 32107 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,1,0,1,0,0|1,0,0]=3 32108 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,1,0,1,0,0|1,0,0]=3 32109 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,1,0,1,0,0|1,0,0]=3 32110 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,1,0,1,0,0|1,0,0]=3 32111 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,1,0,1,0,0|2,0,0]=4 32112 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,1,0,1,0,0|2,0,0]=4 32113 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,1,0,1,0,0|2,0,0]=4 32114 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,1,0,1,0,0|2,0,0]=4 32115 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,1,0,1,0,0|2,0,0]=4 32116 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,1,0,1,0,0|2,0,0]=4 32117 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,1,0,1,0,0|1,0,0]=3 32118 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,1,0,1,0,0|1,0,0]=3 32119 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [0,1,0,1,0,0|2,0,0]=4 32120 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [0,1,0,1,0,0|2,0,0]=4 32121 B13R2.2383 c1ccc(cc1)COC2CSC2 7a_100000072292_100000211182 [0,1,0,1,0,0|2,0,0]=4 32122 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,1,0,1,0,0|1,0,0]=3 32123 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [0,1,0,1,0,0|2,0,0]=4 32124 B13R2.2383 c1ccc(cc1)NCC2CCC2 34a_100000106764_100000763275 [0,1,0,1,0,0|1,0,0]=3 32125 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [0,1,0,1,0,0|2,0,0]=4 32126 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [0,1,0,1,0,0|2,0,0]=4 32127 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [0,1,0,1,0,0|1,0,0]=3 32128 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [0,1,0,1,0,0|1,0,0]=3 32129 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,1,0,1,0,0|2,0,0]=4 32130 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,1,0,1,0,0|2,0,0]=4 32131 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,1,0,1,0,0|2,0,0]=4 32132 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,1,0,1,0,0|2,0,0]=4 32133 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000719477_100000763275 [0,1,0,1,0,0|1,0,0]=3 32134 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000763275_100000041952 [0,1,0,1,0,0|1,0,0]=3 32135 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [0,1,0,1,0,0|2,0,0]=4 32136 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [0,1,0,1,0,0|2,0,0]=4 32137 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [0,1,0,1,0,0|2,0,0]=4 32138 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [0,1,0,1,0,0|2,0,0]=4 32139 B13R2.2383 c1ccc(cc1)SCN2CCC2 269982a_100000754969_100011218342 [0,1,0,1,0,0|2,0,0]=4 32140 B13R2.2383 c1ccc(nc1)CCN2CCC2 269982a_100000754969_100015183660 [0,1,0,1,0,0|0,0,0]=2 32141 B13R2.2383 c1ccc(nc1)CNC2CCC2 2230a_100000749019_100000721315 [0,1,0,1,0,0|0,0,0]=2 32142 B13R2.2383 c1ccc(nc1)CNC2CCC2 270004a_100000210449_100000241760 [0,1,0,1,0,0|0,0,0]=2 32143 B13R2.2383 c1ccc(nc1)CNC2CCC2 34a_100000749019_100000721315 [0,1,0,1,0,0|0,0,0]=2 32144 B13R2.2383 c1ccc(nc1)CNC2COC2 207a_100016991112_100000209966 [0,1,0,1,0,0|1,0,0]=3 32145 B13R2.2383 c1ccc(nc1)CNC2COC2 2230a_100016991112_100000721315 [0,1,0,1,0,0|1,0,0]=3 32146 B13R2.2383 c1ccc(nc1)CNC2COC2 270004a_100016991112_100000209966 [0,1,0,1,0,0|1,0,0]=3 32147 B13R2.2383 c1ccc(nc1)CNC2CSC2 207a_100016994217_100000209966 [0,1,0,1,0,0|1,0,0]=3 32148 B13R2.2383 c1ccc(nc1)CNC2CSC2 270004a_100016994217_100000209966 [0,1,0,1,0,0|1,0,0]=3 32149 B13R2.2383 c1ccc(nc1)COC2CCC2 34a_100000748187_100000721315 [0,1,0,1,0,0|0,0,0]=2 32150 B13R2.2383 c1ccc(nc1)COC2CSC2 7a_100000072292_100000721315 [0,1,0,1,0,0|1,0,0]=3 32151 B13R2.2383 c1ccc(nc1)CSC2CCC2 62a_100000721315_100000749161 [0,1,0,1,0,0|0,0,0]=2 32152 B13R2.2383 c1ccc(nc1)CSC2COC2 62a_100000721315_100009818527 [0,1,0,1,0,0|1,0,0]=3 32153 B13R2.2383 c1ccc(nc1)NN=C2CCC2 4a_100000183288_100000241760 [0,1,0,1,0,0|1,0,1]=4 32154 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100000763275_100011216584 [0,1,0,1,0,0|0,0,0]=2 32155 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100011216584_100000763275 [0,1,0,1,0,0|0,0,0]=2 32156 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100000103362_100011216584 [0,1,0,1,0,0|1,0,0]=3 32157 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100011216584_100000103362 [0,1,0,1,0,0|1,0,0]=3 32158 B13R2.2383 c1ccc(nc1)SCC2COC2 62a_100010264016_100011216584 [0,1,0,1,0,0|1,0,0]=3 32159 B13R2.2383 c1ccc(nc1)SCC2COC2 62a_100011216584_100010264016 [0,1,0,1,0,0|1,0,0]=3 32160 B13R2.2383 c1cnc(cn1)CNC2CCC2 2230a_100000749019_100016995436 [0,1,0,1,0,0|1,0,0]=3 32161 B13R2.2383 c1cnc(cn1)CNC2CCC2 34a_100000749019_100016995436 [0,1,0,1,0,0|1,0,0]=3 32162 B13R2.2383 c1cnc(cn1)CNC2COC2 2230a_100016991112_100016995436 [0,1,0,1,0,0|2,0,0]=4 32163 B13R2.2383 c1cnc(cn1)CNC2COC2 270004a_100016991112_100000749867 [0,1,0,1,0,0|2,0,0]=4 32164 B13R2.2383 c1cnc(cn1)CNC2CSC2 270004a_100016994217_100000749867 [0,1,0,1,0,0|2,0,0]=4 32165 B13R2.2383 c1cnc(cn1)COC2CCC2 34a_100000748187_100016995436 [0,1,0,1,0,0|1,0,0]=3 32166 B13R2.2383 c1cnc(cn1)COC2CSC2 7a_100000072292_100016995436 [0,1,0,1,0,0|2,0,0]=4 32167 B13R2.2383 c1cnc(cn1)CSC2CCC2 62a_100016995436_100000749161 [0,1,0,1,0,0|1,0,0]=3 32168 B13R2.2383 c1cnc(cn1)CSC2COC2 62a_100016995436_100009818527 [0,1,0,1,0,0|2,0,0]=4 32169 B13R2.2383 c1cnc(cn1)NCC2CCC2 27a_100000738700_100000211759 [0,1,0,1,0,0|1,0,0]=3 32170 B13R2.2383 c1cnc(cn1)NCC2COC2 27a_100015281925_100000211759 [0,1,0,1,0,0|2,0,0]=4 32171 B13R2.2383 c1cnc(cn1)NC[C@@H]2CCO2 27a_100020831831_100000211759 [0,1,0,1,0,0|2,0,0]=4 32172 B13R2.2383 c1cnc(cn1)SCC2CCC2 62a_100000211759_100000763275 [0,1,0,1,0,0|1,0,0]=3 32173 B13R2.2383 c1cnc(cn1)SCC2CCC2 62a_100000763275_100000211759 [0,1,0,1,0,0|1,0,0]=3 32174 B13R2.2383 c1cnc(cn1)SCC2CCO2 62a_100000103362_100000211759 [0,1,0,1,0,0|2,0,0]=4 32175 B13R2.2383 c1cnc(cn1)SCC2CCO2 62a_100000211759_100000103362 [0,1,0,1,0,0|2,0,0]=4 32176 B13R2.2383 c1cnc(cn1)SCC2COC2 62a_100000211759_100010264016 [0,1,0,1,0,0|2,0,0]=4 32177 B13R2.2383 c1cnc(cn1)SCC2COC2 62a_100010264016_100000211759 [0,1,0,1,0,0|2,0,0]=4 32178 B13R2.2383 c1cnc(nc1)CNC2CCC2 2230a_100000749019_100000703007 [0,1,0,1,0,0|1,0,0]=3 32179 B13R2.2383 c1cnc(nc1)CNC2CCC2 34a_100000749019_100000703007 [0,1,0,1,0,0|1,0,0]=3 32180 B13R2.2383 c1cnc(nc1)CNC2COC2 2230a_100016991112_100000703007 [0,1,0,1,0,0|2,0,0]=4 32181 B13R2.2383 c1cnc(nc1)CNC2COC2 270004a_100016991112_100011532527 [0,1,0,1,0,0|2,0,0]=4 32182 B13R2.2383 c1cnc(nc1)CNC2CSC2 270004a_100016994217_100011532527 [0,1,0,1,0,0|2,0,0]=4 32183 B13R2.2383 c1cnc(nc1)COC2CCC2 34a_100000748187_100000703007 [0,1,0,1,0,0|1,0,0]=3 32184 B13R2.2383 c1cnc(nc1)COC2CSC2 7a_100000072292_100000703007 [0,1,0,1,0,0|2,0,0]=4 32185 B13R2.2383 c1cnc(nc1)CSC2CCC2 62a_100000703007_100000749161 [0,1,0,1,0,0|1,0,0]=3 32186 B13R2.2383 c1cnc(nc1)CSC2COC2 62a_100000703007_100009818527 [0,1,0,1,0,0|2,0,0]=4 32187 B13R2.2383 c1cnc(nc1)NCC2CCC2 27a_100000738700_100000211032 [0,1,0,1,0,0|1,0,0]=3 32188 B13R2.2383 c1cnc(nc1)NCC2COC2 27a_100015281925_100000211032 [0,1,0,1,0,0|2,0,0]=4 32189 B13R2.2383 c1cnc(nc1)NC[C@@H]2CCO2 27a_100020831831_100000211032 [0,1,0,1,0,0|2,0,0]=4 32190 B13R2.2383 c1cnc(nc1)SCC2CCC2 62a_100000211032_100000763275 [0,1,0,1,0,0|1,0,0]=3 32191 B13R2.2383 c1cnc(nc1)SCC2CCC2 62a_100000763275_100000211032 [0,1,0,1,0,0|1,0,0]=3 32192 B13R2.2383 c1cnc(nc1)SCC2CCO2 62a_100000103362_100000211032 [0,1,0,1,0,0|2,0,0]=4 32193 B13R2.2383 c1cnc(nc1)SCC2CCO2 62a_100000211032_100000103362 [0,1,0,1,0,0|2,0,0]=4 32194 B13R2.2383 c1cnc(nc1)SCC2COC2 62a_100000211032_100010264016 [0,1,0,1,0,0|2,0,0]=4 32195 B13R2.2383 c1cnc(nc1)SCC2COC2 62a_100010264016_100000211032 [0,1,0,1,0,0|2,0,0]=4 32196 B13R2.2383 c1cncc(c1)CCN2CCC2 269982a_100000754969_200011713674 [0,1,0,1,0,0|2,0,0]=4 32197 B13R2.2383 c1cncc(c1)CNC2CCC2 2230a_100000749019_100000741622 [0,1,0,1,0,0|2,0,0]=4 32198 B13R2.2383 c1cncc(c1)CNC2CCC2 270004a_100000210453_100000241760 [0,1,0,1,0,0|2,0,0]=4 32199 B13R2.2383 c1cncc(c1)CNC2CCC2 34a_100000749019_100000733263 [0,1,0,1,0,0|2,0,0]=4 32200 B13R2.2383 c1cncc(c1)COC2CCC2 34a_100000748187_100000733263 [0,1,0,1,0,0|2,0,0]=4 32201 B13R2.2383 c1cncc(c1)CSC2CCC2 62a_100000741622_100000749161 [0,1,0,1,0,0|2,0,0]=4 32202 B13R2.2383 c1cncc(c1)OCC2CCC2 34a_100000210849_100000763275 [0,1,0,1,0,0|2,0,0]=4 32203 B13R2.2383 c1cncc(c1)OCC2CCC2 7a_100000210849_100000763275 [0,1,0,1,0,0|2,0,0]=4 32204 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000210063_100000763275 [0,1,0,1,0,0|2,0,0]=4 32205 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000763275_100000210063 [0,1,0,1,0,0|2,0,0]=4 32206 B13R2.2383 c1cnnc(c1)CNC2CCC2 2230a_100000749019_100016990269 [0,1,0,1,0,0|1,0,0]=3 32207 B13R2.2383 c1cnnc(c1)CNC2CCC2 34a_100000749019_100016990269 [0,1,0,1,0,0|1,0,0]=3 32208 B13R2.2383 c1cnnc(c1)CNC2COC2 2230a_100016991112_100016990269 [0,1,0,1,0,0|2,0,0]=4 32209 B13R2.2383 c1cnnc(c1)COC2CCC2 34a_100000748187_100016990269 [0,1,0,1,0,0|1,0,0]=3 32210 B13R2.2383 c1cnnc(c1)COC2CSC2 7a_100000072292_100016990269 [0,1,0,1,0,0|2,0,0]=4 32211 B13R2.2383 c1cnnc(c1)CSC2CCC2 62a_100016990269_100000749161 [0,1,0,1,0,0|1,0,0]=3 32212 B13R2.2383 c1cnnc(c1)CSC2COC2 62a_100016990269_100009818527 [0,1,0,1,0,0|2,0,0]=4 32213 B13R2.2383 c1cnnc(c1)NCC2CCC2 27a_100000738700_100016991348 [0,1,0,1,0,0|1,0,0]=3 32214 B13R2.2383 c1cnnc(c1)NCC2COC2 27a_100015281925_100016991348 [0,1,0,1,0,0|2,0,0]=4 32215 B13R2.2383 c1cnnc(c1)NC[C@@H]2CCO2 27a_100020831831_100016991348 [0,1,0,1,0,0|2,0,0]=4 32216 B13R2.2383 c1cnnc(c1)SCC2CCC2 62a_100000763275_100016991348 [0,1,0,1,0,0|1,0,0]=3 32217 B13R2.2383 c1cnnc(c1)SCC2CCC2 62a_100016991348_100000763275 [0,1,0,1,0,0|1,0,0]=3 32218 B13R2.2383 c1cnnc(c1)SCC2CCO2 62a_100000103362_100016991348 [0,1,0,1,0,0|2,0,0]=4 32219 B13R2.2383 c1cnnc(c1)SCC2CCO2 62a_100016991348_100000103362 [0,1,0,1,0,0|2,0,0]=4 32220 B13R2.2383 c1cnnc(c1)SCC2COC2 62a_100010264016_100016991348 [0,1,0,1,0,0|2,0,0]=4 32221 B13R2.2383 c1cnnc(c1)SCC2COC2 62a_100016991348_100010264016 [0,1,0,1,0,0|2,0,0]=4 32222 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 32223 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 32224 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 32225 B13R2.10 CN1CCC(C1)c2ccccn2 2230a_100102730755_200000210301 [0,1,0,1,0,0|1,0,0]=3 32226 B13R2.10 CN1CCC(C1)c2ccccn2 269982a_100102730755_200000210301 [0,1,0,1,0,0|1,0,0]=3 32227 B13R2.10 C[C@@H]1CCN(C1)c2cccnn2 27a_100016987628_100016991348 [0,1,0,1,0,0|2,0,0]=4 32228 B13R2.10 C[C@@H]1CCN(C1)c2ccncn2 27a_100016987628_100000703185 [0,1,0,1,0,0|2,0,0]=4 32229 B13R2.10 C[C@@H]1CCN(C1)c2cnccn2 27a_100016987628_100000211759 [0,1,0,1,0,0|2,0,0]=4 32230 B13R2.10 C[C@@H]1CCN(C1)c2ncccn2 27a_100016987628_100000211032 [0,1,0,1,0,0|2,0,0]=4 32231 B13R2.10 F[C@H]1CCN(C1)c2cccnn2 27a_100015203821_100016991348 [0,1,0,1,0,0|2,0,0]=4 32232 B13R2.10 F[C@H]1CCN(C1)c2ccncn2 27a_100015203821_100000703185 [0,1,0,1,0,0|2,0,0]=4 32233 B13R2.10 F[C@H]1CCN(C1)c2cnccn2 27a_100015203821_100000211759 [0,1,0,1,0,0|2,0,0]=4 32234 B13R2.10 F[C@H]1CCN(C1)c2ncccn2 27a_100015203821_100000211032 [0,1,0,1,0,0|2,0,0]=4 32235 B13R2.10 OC1CCN(C1)c2cccnn2 27a_100011215560_100016991348 [0,1,0,1,0,0|2,0,0]=4 32236 B13R2.10 OC1CCN(C1)c2ccncn2 27a_100011215560_100000703185 [0,1,0,1,0,0|2,0,0]=4 32237 B13R2.10 OC1CCN(C1)c2cnccn2 27a_100011215560_100000211759 [0,1,0,1,0,0|2,0,0]=4 32238 B13R2.10 OC1CCN(C1)c2ncccn2 27a_100011215560_100000211032 [0,1,0,1,0,0|2,0,0]=4 32239 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 32240 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 32241 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 32242 B13R2.10 [13CH3]N1CCC(C1)c2ccccn2 2230a_100102730755_200025704644 [0,1,0,1,0,0|1,0,0]=3 32243 B13R2.10 [13CH3]N1CCC(C1)c2ccccn2 269982a_100102730755_200025704644 [0,1,0,1,0,0|1,0,0]=3 32244 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 32245 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 32246 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 32247 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 32248 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 32249 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 32250 B13R2.33 CN1CCc2ccccc2CC1 2230a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 32251 B13R2.33 CN1CCc2ccccc2CC1 269982a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 32252 B13R2.33 CN1CCc2ccccc2CC1 34a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 32253 B13R2.33 [13CH3]N1CCc2ccccc2CC1 2230a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 32254 B13R2.33 [13CH3]N1CCc2ccccc2CC1 269982a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 32255 B13R2.33 [13CH3]N1CCc2ccccc2CC1 34a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 32256 B13R2.52 CCC1CN(C1)c2cccnn2 27a_100015205115_100016991348 [0,1,0,1,0,0|2,0,0]=4 32257 B13R2.52 CCC1CN(C1)c2ccncn2 27a_100015205115_100000703185 [0,1,0,1,0,0|2,0,0]=4 32258 B13R2.52 CCC1CN(C1)c2cnccn2 27a_100015205115_100000211759 [0,1,0,1,0,0|2,0,0]=4 32259 B13R2.52 CCC1CN(C1)c2ncccn2 27a_100015205115_100000211032 [0,1,0,1,0,0|2,0,0]=4 32260 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,1,0,1,0,0|2,0,0]=4 32261 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,1,0,1,0,0|2,0,0]=4 32262 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,1,0,1,0,0|2,0,0]=4 32263 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,1,0,1,0,0|2,0,0]=4 32264 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,1,0,1,0,0|2,0,0]=4 32265 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,1,0,1,0,0|2,0,0]=4 32266 B13R2.57 CCN1CCc2ncccc2C1 2230a_100000699647_100000210202 [0,1,0,1,0,0|1,0,0]=3 32267 B13R2.57 CCN1CCc2ncccc2C1 269982a_100000699647_100000204670 [0,1,0,1,0,0|1,0,0]=3 32268 B13R2.57 CCN1CCc2ncncc2C1 2230a_100012000121_100000210202 [0,1,0,1,0,0|2,0,0]=4 32269 B13R2.57 CCN1CCc2ncncc2C1 269982a_100012000121_100000204670 [0,1,0,1,0,0|2,0,0]=4 32270 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,1,0,1,0,0|2,0,0]=4 32271 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,1,0,1,0,0|2,0,0]=4 32272 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,1,0,1,0,0|2,0,0]=4 32273 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 32274 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 32275 B13R2.57 FCN1CCc2ncccc2C1 269982a_100000699647_100015361967 [0,1,0,1,0,0|2,0,0]=4 32276 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,1,0,1,0,0|2,0,0]=4 32277 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,1,0,1,0,0|2,0,0]=4 32278 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 32279 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 32280 B13R2.373 C[C@H]1[C@H](CN1c2cccnn2)O 27a_206633788156_100016991348 [0,1,0,1,0,0|2,0,0]=4 32281 B13R2.373 C[C@H]1[C@H](CN1c2ccncn2)O 27a_206633788156_100000703185 [0,1,0,1,0,0|2,0,0]=4 32282 B13R2.373 C[C@H]1[C@H](CN1c2cnccn2)O 27a_206633788156_100000211759 [0,1,0,1,0,0|2,0,0]=4 32283 B13R2.373 C[C@H]1[C@H](CN1c2ncccn2)O 27a_206633788156_100000211032 [0,1,0,1,0,0|2,0,0]=4 32284 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,1,0,1,0,0|2,0,0]=4 32285 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,1,0,1,0,0|2,0,0]=4 32286 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,1,0,1,0,0|2,0,0]=4 32287 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,1,0,1,0,0|2,0,0]=4 32288 B13R2.3203 CC1(CC1)CNc2cccnn2 27a_100000766693_100016991348 [0,1,0,1,0,0|2,0,0]=4 32289 B13R2.3203 CC1(CC1)CNc2ccncn2 27a_100000766693_100000703185 [0,1,0,1,0,0|2,0,0]=4 32290 B13R2.3203 CC1(CC1)CNc2cnccn2 27a_100000766693_100000211759 [0,1,0,1,0,0|2,0,0]=4 32291 B13R2.3203 CC1(CC1)CNc2ncccn2 27a_100000766693_100000211032 [0,1,0,1,0,0|2,0,0]=4 32292 B13R2.3203 CC1(CC1)NCc2ccccc2 207a_100000757604_100015611070 [0,1,0,1,0,0|2,0,0]=4 32293 B13R2.3203 CC1(CC1)NCc2ccccc2 2230a_100000757604_100015291786 [0,1,0,1,0,0|2,0,0]=4 32294 B13R2.3203 CC1(CC1)NCc2ccccn2 207a_100000757604_100000209966 [0,1,0,1,0,0|1,0,0]=3 32295 B13R2.3203 CC1(CC1)NCc2ccccn2 2230a_100000757604_100000721315 [0,1,0,1,0,0|1,0,0]=3 32296 B13R2.3203 CC1(CC1)NCc2cccnn2 2230a_100000757604_100016990269 [0,1,0,1,0,0|2,0,0]=4 32297 B13R2.3203 CC1(CC1)NCc2cnccn2 2230a_100000757604_100016995436 [0,1,0,1,0,0|2,0,0]=4 32298 B13R2.3203 CC1(CC1)NCc2ncccn2 2230a_100000757604_100000703007 [0,1,0,1,0,0|2,0,0]=4 32299 B13R2.3203 CC1(CC1)OCc2ccccc2 7a_100011725673_100000211182 [0,1,0,1,0,0|2,0,0]=4 32300 B13R2.3203 CC1(CC1)OCc2ccccn2 7a_100011725673_100000721315 [0,1,0,1,0,0|1,0,0]=3 32301 B13R2.3203 CC1(CC1)OCc2cccnn2 7a_100011725673_100016990269 [0,1,0,1,0,0|2,0,0]=4 32302 B13R2.3203 CC1(CC1)OCc2cnccn2 7a_100011725673_100016995436 [0,1,0,1,0,0|2,0,0]=4 32303 B13R2.3203 CC1(CC1)OCc2ncccn2 7a_100011725673_100000703007 [0,1,0,1,0,0|2,0,0]=4 32304 B13R2.3203 CC1(CO1)CSc2ccccn2 62a_100000760498_100011216584 [0,1,0,1,0,0|2,0,0]=4 32305 B13R2.3203 CC1(CO1)CSc2ccccn2 62a_100011216584_100000760498 [0,1,0,1,0,0|2,0,0]=4 32306 B13R2.3203 OC1(CC1)CNc2cccnn2 27a_100011936951_100016991348 [0,1,0,1,0,0|2,0,0]=4 32307 B13R2.3203 OC1(CC1)CNc2ccncn2 27a_100011936951_100000703185 [0,1,0,1,0,0|2,0,0]=4 32308 B13R2.3203 OC1(CC1)CNc2cnccn2 27a_100011936951_100000211759 [0,1,0,1,0,0|2,0,0]=4 32309 B13R2.3203 OC1(CC1)CNc2ncccn2 27a_100011936951_100000211032 [0,1,0,1,0,0|2,0,0]=4 32310 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,1,0,1,0,0|1,0,1]=4 32311 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [0,1,0,1,0,0|2,0,0]=4 32312 B13R2.13 Brc1cccc(n1)C2=CCCC2 271570a_100000089523_100000684672 [0,1,0,1,0,0|0,0,2]=4 32313 B13R2.13 Cc1cc(ncn1)N2CCCC2 27a_100000188435_100000744208 [0,1,0,1,0,0|2,0,0]=4 32314 B13R2.13 Cc1cccc(n1)C2=CCCC2 271570a_100000089523_100000742759 [0,1,0,1,0,0|0,0,2]=4 32315 B13R2.13 Cc1ccnc(c1)C2=CCCC2 271570a_100000089523_100000750283 [0,1,0,1,0,0|0,0,2]=4 32316 B13R2.13 Cc1ccnc(n1)N2CCCC2 27a_100000188435_100000750684 [0,1,0,1,0,0|2,0,0]=4 32317 B13R2.13 Cc1cncc(n1)N2CCCC2 27a_100000188435_100000754123 [0,1,0,1,0,0|2,0,0]=4 32318 B13R2.13 Cc1cnnc(c1)N2CCCC2 27a_100000188435_100000070100 [0,1,0,1,0,0|2,0,0]=4 32319 B13R2.13 Cc1nccc(n1)N2CCCC2 27a_100000188435_100000749937 [0,1,0,1,0,0|2,0,0]=4 32320 B13R2.13 Clc1ccnc(c1)C2=CCCC2 271570a_100000089523_100010167805 [0,1,0,1,0,0|0,0,2]=4 32321 B13R2.13 Clc1cncc(n1)N2CCCC2 27a_100000188435_100010892449 [0,1,0,1,0,0|2,0,0]=4 32322 B13R2.13 Fc1cc(ncn1)N2CCCC2 27a_100000188435_200009880791 [0,1,0,1,0,0|2,0,0]=4 32323 B13R2.13 Fc1cccc(n1)C2=CCCC2 271570a_100000089523_100009815982 [0,1,0,1,0,0|0,0,2]=4 32324 B13R2.13 Fc1cccc(n1)N2CCCC2 27a_100000188435_100009815982 [0,1,0,1,0,0|1,0,0]=3 32325 B13R2.13 Fc1cccc(n1)N2CCSC2 27a_100011215254_100009815982 [0,1,0,1,0,0|2,0,0]=4 32326 B13R2.13 Fc1ccnc(c1)C2=CCCC2 271570a_100000089523_100009817058 [0,1,0,1,0,0|0,0,2]=4 32327 B13R2.13 Fc1ccnc(c1)N2CCCC2 27a_100000188435_100000764206 [0,1,0,1,0,0|1,0,0]=3 32328 B13R2.13 Fc1ccnc(c1)N2CCSC2 27a_100011215254_100000764206 [0,1,0,1,0,0|2,0,0]=4 32329 B13R2.13 Fc1cncc(n1)N2CCCC2 27a_100000188435_200009863489 [0,1,0,1,0,0|2,0,0]=4 32330 B13R2.13 Nc1cc(ncn1)N2CCCC2 27a_100000188435_100000701291 [0,1,0,1,0,0|2,0,0]=4 32331 B13R2.13 Nc1cccc(n1)C2=CCCC2 271570a_100000089523_100000740741 [0,1,0,1,0,0|0,0,2]=4 32332 B13R2.13 Nc1ccnc(c1)C2=CCCC2 271570a_100000089523_100009814236 [0,1,0,1,0,0|0,0,2]=4 32333 B13R2.13 Nc1ccnc(n1)N2CCCC2 27a_100000188435_100000757536 [0,1,0,1,0,0|2,0,0]=4 32334 B13R2.13 Nc1nccc(n1)N2CCCC2 27a_100000188435_100000055538 [0,1,0,1,0,0|2,0,0]=4 32335 B13R2.13 O=c1nc(cc[nH]1)N2CCCC2 27a_100000188435_200000134032 [0,1,0,1,0,0|2,0,0]=4 32336 B13R2.13 Oc1cc(ncn1)N2CCCC2 271570a_203496583355_100000242485 [0,1,0,1,0,0|2,0,0]=4 32337 B13R2.13 Oc1cc(ncn1)N2CCCC2 27a_100000188435_100000765262 [0,1,0,1,0,0|2,0,0]=4 32338 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [0,1,0,1,0,0|2,0,0]=4 32339 B13R2.13 Oc1cccc(c1)N2CCCC2 271570a_203496583355_100020633440 [0,1,0,1,0,0|2,0,0]=4 32340 B13R2.13 Oc1cccc(n1)N2CCCC2 271570a_203496583355_100011934661 [0,1,0,1,0,0|1,0,0]=3 32341 B13R2.13 Oc1ccnc(c1)C2=CCCC2 271570a_100000089523_100000762945 [0,1,0,1,0,0|0,0,2]=4 32342 B13R2.13 Oc1ccnc(c1)C2OCCO2 271570a_203496583355_100010879467 [0,1,0,1,0,0|2,0,0]=4 32343 B13R2.13 Oc1ccnc(c1)N2CCCC2 271570a_203496583355_100000728026 [0,1,0,1,0,0|1,0,0]=3 32344 B13R2.13 Oc1ccnc(n1)N2CCCC2 271570a_203496583355_100011439827 [0,1,0,1,0,0|2,0,0]=4 32345 B13R2.13 Oc1ccnc(n1)N2CCCC2 27a_100000188435_100011649813 [0,1,0,1,0,0|2,0,0]=4 32346 B13R2.13 Oc1cncc(n1)N2CCCC2 271570a_203496583355_100000243943 [0,1,0,1,0,0|2,0,0]=4 32347 B13R2.13 Oc1nccc(n1)N2CCCC2 271570a_203496583355_100000753041 [0,1,0,1,0,0|2,0,0]=4 32348 B13R2.13 [O-][n+]1ccnc(c1)N2CCCC2 27a_100000188435_100009880115 [0,1,0,1,0,0|2,0,0]=4 32349 B13R2.150 CC1CCN1c2c[n+](ccn2)[O-] 27a_100000755817_100009880115 [0,1,0,1,0,0|2,0,0]=4 32350 B13R2.150 CC1CCN1c2cc(ccn2)F 27a_100000755817_100000764206 [0,1,0,1,0,0|1,0,0]=3 32351 B13R2.150 CC1CCN1c2cc(ncn2)F 27a_100000755817_200009880791 [0,1,0,1,0,0|2,0,0]=4 32352 B13R2.150 CC1CCN1c2cc(ncn2)N 27a_100000755817_100000701291 [0,1,0,1,0,0|2,0,0]=4 32353 B13R2.150 CC1CCN1c2cc(ncn2)O 27a_100000755817_100000765262 [0,1,0,1,0,0|2,0,0]=4 32354 B13R2.150 CC1CCN1c2cc[nH]c(=O)n2 27a_100000755817_200000134032 [0,1,0,1,0,0|2,0,0]=4 32355 B13R2.150 CC1CCN1c2cccc(n2)F 27a_100000755817_100009815982 [0,1,0,1,0,0|1,0,0]=3 32356 B13R2.150 CC1CCN1c2ccnc(n2)N 27a_100000755817_100000055538 [0,1,0,1,0,0|2,0,0]=4 32357 B13R2.150 CC1CCN1c2cncc(n2)Cl 27a_100000755817_100010892449 [0,1,0,1,0,0|2,0,0]=4 32358 B13R2.150 CC1CCN1c2cncc(n2)F 27a_100000755817_200009863489 [0,1,0,1,0,0|2,0,0]=4 32359 B13R2.150 CC1CCN1c2nccc(n2)N 27a_100000755817_100000757536 [0,1,0,1,0,0|2,0,0]=4 32360 B13R2.150 CC1CCN1c2nccc(n2)O 27a_100000755817_100011649813 [0,1,0,1,0,0|2,0,0]=4 32361 B13R2.150 Cc1cc(ncn1)N2CCC2C 27a_100000755817_100000744208 [0,1,0,1,0,0|2,0,0]=4 32362 B13R2.150 Cc1ccnc(n1)N2CCC2C 27a_100000755817_100000750684 [0,1,0,1,0,0|2,0,0]=4 32363 B13R2.150 Cc1cncc(n1)N2CCC2C 27a_100000755817_100000754123 [0,1,0,1,0,0|2,0,0]=4 32364 B13R2.150 Cc1cnnc(c1)N2CCC2C 27a_100000755817_100000070100 [0,1,0,1,0,0|2,0,0]=4 32365 B13R2.150 Cc1nccc(n1)N2CCC2C 27a_100000755817_100000749937 [0,1,0,1,0,0|2,0,0]=4 32366 B13R2.153 Fc1cccc(n1)N[C@@H]2C[C@@H]2F 27a_100015190264_100009815982 [0,1,0,1,0,0|2,0,0]=4 32367 B13R2.153 Fc1cccc(n1)N[C@@H]2C[C@H]2F 27a_100025746932_100009815982 [0,1,0,1,0,0|2,0,0]=4 32368 B13R2.153 Fc1ccnc(c1)N[C@@H]2C[C@@H]2F 27a_100015190264_100000764206 [0,1,0,1,0,0|2,0,0]=4 32369 B13R2.153 Fc1ccnc(c1)N[C@@H]2C[C@H]2F 27a_100025746932_100000764206 [0,1,0,1,0,0|2,0,0]=4 32370 B13R2.662 CNC1CCc2c1ccc(c2)Br 2230a_100000744021_200000210301 [0,1,0,1,0,0|2,0,0]=4 32371 B13R2.662 CNC1CCc2c1ccc(c2)Br 269862a_106832991636_100000737041 [0,1,0,1,0,0|2,0,0]=4 32372 B13R2.662 CNC1CCc2c1ccc(c2)Br 34a_100000744021_200000210301 [0,1,0,1,0,0|2,0,0]=4 32373 B13R2.662 CNC1CCc2c1ccc(c2)C 2230a_200000746848_200000210301 [0,1,0,1,0,0|2,0,0]=4 32374 B13R2.662 CNC1CCc2c1ccc(c2)C 269862a_106832991636_100000743249 [0,1,0,1,0,0|2,0,0]=4 32375 B13R2.662 CNC1CCc2c1ccc(c2)C 34a_200000746848_200000210301 [0,1,0,1,0,0|2,0,0]=4 32376 B13R2.662 CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_200000210301 [0,1,0,1,0,0|2,0,0]=4 32377 B13R2.662 CNC1CCc2c1ccc(c2)Cl 269862a_106832991636_100000751102 [0,1,0,1,0,0|2,0,0]=4 32378 B13R2.662 CNC1CCc2c1ccc(c2)Cl 34a_100000743821_200000210301 [0,1,0,1,0,0|2,0,0]=4 32379 B13R2.662 CNC1CCc2c1ccc(c2)F 269862a_106832991636_100000035798 [0,1,0,1,0,0|2,0,0]=4 32380 B13R2.662 CNC1CCc2c1ccc(c2)I 269862a_106832991636_100000049573 [0,1,0,1,0,0|2,0,0]=4 32381 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200000210301 [0,1,0,1,0,0|2,0,0]=4 32382 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200000210301 [0,1,0,1,0,0|2,0,0]=4 32383 B13R2.662 COC1CCc2c1ccc(c2)Br 34a_100000747877_200000210301 [0,1,0,1,0,0|2,0,0]=4 32384 B13R2.662 COC1CCc2c1ccc(c2)Br 7a_100000747877_200000210301 [0,1,0,1,0,0|2,0,0]=4 32385 B13R2.662 COC1CCc2c1ccc(c2)C 34a_100000103036_200000210301 [0,1,0,1,0,0|2,0,0]=4 32386 B13R2.662 COC1CCc2c1ccc(c2)C 7a_100000103036_200000210301 [0,1,0,1,0,0|2,0,0]=4 32387 B13R2.662 COC1CCc2c1ccc(c2)Cl 34a_100012002497_200000210301 [0,1,0,1,0,0|2,0,0]=4 32388 B13R2.662 COC1CCc2c1ccc(c2)Cl 7a_100012002497_200000210301 [0,1,0,1,0,0|2,0,0]=4 32389 B13R2.662 COC1CCc2c1ccc(c2)F 34a_100012002498_200000210301 [0,1,0,1,0,0|2,0,0]=4 32390 B13R2.662 COC1CCc2c1ccc(c2)F 7a_100012002498_200000210301 [0,1,0,1,0,0|2,0,0]=4 32391 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 2230a_200000746848_200025704644 [0,1,0,1,0,0|2,0,0]=4 32392 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 34a_200000746848_200025704644 [0,1,0,1,0,0|2,0,0]=4 32393 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 34a_100000103036_200025704644 [0,1,0,1,0,0|2,0,0]=4 32394 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 7a_100000103036_200025704644 [0,1,0,1,0,0|2,0,0]=4 32395 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 2230a_100000744021_200025704644 [0,1,0,1,0,0|2,0,0]=4 32396 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 34a_100000744021_200025704644 [0,1,0,1,0,0|2,0,0]=4 32397 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 2230a_100000743821_200025704644 [0,1,0,1,0,0|2,0,0]=4 32398 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 34a_100000743821_200025704644 [0,1,0,1,0,0|2,0,0]=4 32399 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200025704644 [0,1,0,1,0,0|2,0,0]=4 32400 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200025704644 [0,1,0,1,0,0|2,0,0]=4 32401 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 34a_100000747877_200025704644 [0,1,0,1,0,0|2,0,0]=4 32402 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 7a_100000747877_200025704644 [0,1,0,1,0,0|2,0,0]=4 32403 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 34a_100012002497_200025704644 [0,1,0,1,0,0|2,0,0]=4 32404 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 7a_100012002497_200025704644 [0,1,0,1,0,0|2,0,0]=4 32405 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 34a_100012002498_200025704644 [0,1,0,1,0,0|2,0,0]=4 32406 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 7a_100012002498_200025704644 [0,1,0,1,0,0|2,0,0]=4 32407 B13R2.2091 CNC1CCc2c1c(ccc2)Br 2230a_100103168669_200000210301 [0,1,0,1,0,0|2,0,0]=4 32408 B13R2.2091 CNC1CCc2c1c(ccc2)Br 34a_100103168669_200000210301 [0,1,0,1,0,0|2,0,0]=4 32409 B13R2.2091 [13CH3]NC1CCc2c1c(ccc2)Br 2230a_100103168669_200025704644 [0,1,0,1,0,0|2,0,0]=4 32410 B13R2.2091 [13CH3]NC1CCc2c1c(ccc2)Br 34a_100103168669_200025704644 [0,1,0,1,0,0|2,0,0]=4 32411 B13R2.3021 Brc1cccc(c1)CN2CCC2 269982a_100000754969_100000211773 [0,1,0,1,0,0|2,0,0]=4 32412 B13R2.3021 Brc1cccc(c1)CN2CCC2 26a_100000754969_100000210342 [0,1,0,1,0,0|2,0,0]=4 32413 B13R2.3021 Brc1cccc(c1)NC2CCC2 34a_100000210019_100000749161 [0,1,0,1,0,0|2,0,0]=4 32414 B13R2.3021 Brc1cccc(c1)OC2CCC2 34a_100000210342_100000749161 [0,1,0,1,0,0|2,0,0]=4 32415 B13R2.3021 Brc1cccc(c1)SC2CCC2 62a_100000691529_100000749161 [0,1,0,1,0,0|2,0,0]=4 32416 B13R2.3021 Brc1cccc(n1)CN2CCC2 269982a_100000754969_100009889011 [0,1,0,1,0,0|1,0,0]=3 32417 B13R2.3021 Brc1cccc(n1)SC2CCC2 62a_100000684672_100000749161 [0,1,0,1,0,0|1,0,0]=3 32418 B13R2.3021 Brc1cccc(n1)SC2COC2 62a_100000684672_100009818527 [0,1,0,1,0,0|2,0,0]=4 32419 B13R2.3021 Brc1ccnc(c1)CN2CCC2 269982a_100000754969_100010173614 [0,1,0,1,0,0|1,0,0]=3 32420 B13R2.3021 Cc1cc(ncn1)NC2CCC2 27a_100000749019_100000744208 [0,1,0,1,0,0|2,0,0]=4 32421 B13R2.3021 Cc1cc(ncn1)SC2CCC2 62a_100000744208_100000749161 [0,1,0,1,0,0|2,0,0]=4 32422 B13R2.3021 Cc1cccc(c1)CN2CCC2 269982a_100000754969_100000211840 [0,1,0,1,0,0|2,0,0]=4 32423 B13R2.3021 Cc1cccc(c1)NC2CCC2 34a_100000188690_100000749161 [0,1,0,1,0,0|2,0,0]=4 32424 B13R2.3021 Cc1cccc(c1)OC2CCC2 34a_100000210337_100000749161 [0,1,0,1,0,0|2,0,0]=4 32425 B13R2.3021 Cc1cccc(c1)SC2CCC2 62a_100011215228_100000749161 [0,1,0,1,0,0|2,0,0]=4 32426 B13R2.3021 Cc1cccc(n1)CN2CCC2 269982a_100000754969_100000757606 [0,1,0,1,0,0|1,0,0]=3 32427 B13R2.3021 Cc1cccc(n1)SC2CCC2 62a_100000742759_100000749161 [0,1,0,1,0,0|1,0,0]=3 32428 B13R2.3021 Cc1cccc(n1)SC2COC2 62a_100000742759_100009818527 [0,1,0,1,0,0|2,0,0]=4 32429 B13R2.3021 Cc1ccnc(c1)CN2CCC2 269982a_100000754969_100000718516 [0,1,0,1,0,0|1,0,0]=3 32430 B13R2.3021 Cc1ccnc(c1)SC2CCC2 62a_100000750283_100000749161 [0,1,0,1,0,0|1,0,0]=3 32431 B13R2.3021 Cc1ccnc(c1)SC2COC2 62a_100000750283_100009818527 [0,1,0,1,0,0|2,0,0]=4 32432 B13R2.3021 Cc1ccnc(n1)NC2CCC2 27a_100000749019_100000750684 [0,1,0,1,0,0|2,0,0]=4 32433 B13R2.3021 Cc1ccnc(n1)SC2CCC2 62a_100011243806_100000749161 [0,1,0,1,0,0|2,0,0]=4 32434 B13R2.3021 Cc1cncc(n1)NC2CCC2 27a_100000749019_100000754123 [0,1,0,1,0,0|2,0,0]=4 32435 B13R2.3021 Cc1cncc(n1)SC2CCC2 62a_100000754123_100000749161 [0,1,0,1,0,0|2,0,0]=4 32436 B13R2.3021 Cc1cnnc(c1)NC2CCC2 27a_100000749019_100000070100 [0,1,0,1,0,0|2,0,0]=4 32437 B13R2.3021 Cc1cnnc(c1)OC2CCC2 34a_100000766097_100000749161 [0,1,0,1,0,0|2,0,0]=4 32438 B13R2.3021 Cc1cnnc(c1)SC2CCC2 62a_100000070100_100000749161 [0,1,0,1,0,0|2,0,0]=4 32439 B13R2.3021 Cc1nccc(n1)NC2CCC2 27a_100000749019_100000749937 [0,1,0,1,0,0|2,0,0]=4 32440 B13R2.3021 Cc1nccc(n1)SC2CCC2 62a_100000749937_100000749161 [0,1,0,1,0,0|2,0,0]=4 32441 B13R2.3021 Clc1cc(ncn1)SC2CCC2 62a_100010161198_100000749161 [0,1,0,1,0,0|2,0,0]=4 32442 B13R2.3021 Clc1cccc(c1)CN2CCC2 269982a_100000754969_100000181238 [0,1,0,1,0,0|2,0,0]=4 32443 B13R2.3021 Clc1cccc(c1)NC2CCC2 34a_100000185859_100000749161 [0,1,0,1,0,0|2,0,0]=4 32444 B13R2.3021 Clc1cccc(c1)OC2CCC2 34a_100000210295_100000749161 [0,1,0,1,0,0|2,0,0]=4 32445 B13R2.3021 Clc1cccc(c1)SC2CCC2 62a_100000699651_100000749161 [0,1,0,1,0,0|2,0,0]=4 32446 B13R2.3021 Clc1cccc(n1)CN2CCC2 269982a_100000754969_100000086093 [0,1,0,1,0,0|1,0,0]=3 32447 B13R2.3021 Clc1cccc(n1)SC2CCC2 62a_100000051397_100000749161 [0,1,0,1,0,0|1,0,0]=3 32448 B13R2.3021 Clc1cccc(n1)SC2COC2 62a_100000051397_100009818527 [0,1,0,1,0,0|2,0,0]=4 32449 B13R2.3021 Clc1ccnc(c1)CN2CCC2 269982a_100000754969_100016988179 [0,1,0,1,0,0|1,0,0]=3 32450 B13R2.3021 Clc1ccnc(c1)SC2CCC2 62a_100010167805_100000749161 [0,1,0,1,0,0|1,0,0]=3 32451 B13R2.3021 Clc1ccnc(c1)SC2COC2 62a_100010167805_100009818527 [0,1,0,1,0,0|2,0,0]=4 32452 B13R2.3021 Clc1cncc(n1)NC2CCC2 27a_100000749019_100010892449 [0,1,0,1,0,0|2,0,0]=4 32453 B13R2.3021 Clc1cncc(n1)SC2CCC2 62a_100010892449_100000749161 [0,1,0,1,0,0|2,0,0]=4 32454 B13R2.3021 Clc1nccc(n1)CN2CCC2 269982a_100000754969_100000099655 [0,1,0,1,0,0|2,0,0]=4 32455 B13R2.3021 Clc1nccc(n1)SC2CCC2 62a_100010154678_100000749161 [0,1,0,1,0,0|2,0,0]=4 32456 B13R2.3021 Fc1cc(ncn1)NC2CCC2 27a_100000749019_200009880791 [0,1,0,1,0,0|2,0,0]=4 32457 B13R2.3021 Fc1cc(ncn1)SC2CCC2 62a_200009880791_100000749161 [0,1,0,1,0,0|2,0,0]=4 32458 B13R2.3021 Fc1cccc(c1)CN2CCC2 269982a_100000754969_100000230114 [0,1,0,1,0,0|2,0,0]=4 32459 B13R2.3021 Fc1cccc(c1)NC2CCC2 34a_100000210047_100000749161 [0,1,0,1,0,0|2,0,0]=4 32460 B13R2.3021 Fc1cccc(c1)OC2CCC2 34a_100000210426_100000749161 [0,1,0,1,0,0|2,0,0]=4 32461 B13R2.3021 Fc1cccc(c1)SC2CCC2 62a_100000685547_100000749161 [0,1,0,1,0,0|2,0,0]=4 32462 B13R2.3021 Fc1cccc(n1)CN2CCC2 269982a_100000754969_100009819644 [0,1,0,1,0,0|1,0,0]=3 32463 B13R2.3021 Fc1cccc(n1)NC2CCC2 27a_100000749019_100009815982 [0,1,0,1,0,0|1,0,0]=3 32464 B13R2.3021 Fc1cccc(n1)NC2COC2 27a_100016991112_100009815982 [0,1,0,1,0,0|2,0,0]=4 32465 B13R2.3021 Fc1cccc(n1)NC2CSC2 27a_100016994217_100009815982 [0,1,0,1,0,0|2,0,0]=4 32466 B13R2.3021 Fc1cccc(n1)OC2CCC2 34a_100011432558_100000749161 [0,1,0,1,0,0|1,0,0]=3 32467 B13R2.3021 Fc1cccc(n1)OC2COC2 34a_100011432558_100009818527 [0,1,0,1,0,0|2,0,0]=4 32468 B13R2.3021 Fc1cccc(n1)SC2CCC2 62a_100009815982_100000749161 [0,1,0,1,0,0|1,0,0]=3 32469 B13R2.3021 Fc1cccc(n1)SC2COC2 62a_100009815982_100009818527 [0,1,0,1,0,0|2,0,0]=4 32470 B13R2.3021 Fc1ccnc(c1)NC2CCC2 27a_100000749019_100000764206 [0,1,0,1,0,0|1,0,0]=3 32471 B13R2.3021 Fc1ccnc(c1)NC2COC2 27a_100016991112_100000764206 [0,1,0,1,0,0|2,0,0]=4 32472 B13R2.3021 Fc1ccnc(c1)NC2CSC2 27a_100016994217_100000764206 [0,1,0,1,0,0|2,0,0]=4 32473 B13R2.3021 Fc1ccnc(c1)SC2CCC2 62a_100000764206_100000749161 [0,1,0,1,0,0|1,0,0]=3 32474 B13R2.3021 Fc1ccnc(c1)SC2COC2 62a_100000764206_100009818527 [0,1,0,1,0,0|2,0,0]=4 32475 B13R2.3021 Fc1cncc(n1)NC2CCC2 27a_100000749019_200009863489 [0,1,0,1,0,0|2,0,0]=4 32476 B13R2.3021 Fc1cncc(n1)SC2CCC2 62a_200009863489_100000749161 [0,1,0,1,0,0|2,0,0]=4 32477 B13R2.3021 Ic1cccc(c1)CN2CCC2 269982a_100000754969_100011218688 [0,1,0,1,0,0|2,0,0]=4 32478 B13R2.3021 Ic1cccc(c1)NC2CCC2 34a_100000211102_100000749161 [0,1,0,1,0,0|2,0,0]=4 32479 B13R2.3021 Ic1cccc(c1)OC2CCC2 34a_100000211634_100000749161 [0,1,0,1,0,0|2,0,0]=4 32480 B13R2.3021 Nc1cc(ncn1)NC2CCC2 27a_100000749019_100000701291 [0,1,0,1,0,0|2,0,0]=4 32481 B13R2.3021 Nc1cc(ncn1)SC2CCC2 62a_100000701291_100000749161 [0,1,0,1,0,0|2,0,0]=4 32482 B13R2.3021 Nc1cccc(c1)OC2CCC2 34a_100000210217_100000749161 [0,1,0,1,0,0|2,0,0]=4 32483 B13R2.3021 Nc1cccc(c1)SC2CCC2 62a_100000210019_100000749161 [0,1,0,1,0,0|2,0,0]=4 32484 B13R2.3021 Nc1cccc(n1)SC2CCC2 62a_100000740741_100000749161 [0,1,0,1,0,0|1,0,0]=3 32485 B13R2.3021 Nc1cccc(n1)SC2COC2 62a_100000740741_100009818527 [0,1,0,1,0,0|2,0,0]=4 32486 B13R2.3021 Nc1ccnc(c1)SC2CCC2 62a_100009814236_100000749161 [0,1,0,1,0,0|1,0,0]=3 32487 B13R2.3021 Nc1ccnc(c1)SC2COC2 62a_100009814236_100009818527 [0,1,0,1,0,0|2,0,0]=4 32488 B13R2.3021 Nc1ccnc(n1)NC2CCC2 27a_100000749019_100000757536 [0,1,0,1,0,0|2,0,0]=4 32489 B13R2.3021 Nc1ccnc(n1)SC2CCC2 62a_100000757536_100000749161 [0,1,0,1,0,0|2,0,0]=4 32490 B13R2.3021 Nc1cncc(n1)SC2CCC2 62a_100000747728_100000749161 [0,1,0,1,0,0|2,0,0]=4 32491 B13R2.3021 Nc1cnnc(c1)SC2CCC2 62a_100011996757_100000749161 [0,1,0,1,0,0|2,0,0]=4 32492 B13R2.3021 Nc1nccc(n1)NC2CCC2 27a_100000749019_100000055538 [0,1,0,1,0,0|2,0,0]=4 32493 B13R2.3021 Nc1nccc(n1)SC2CCC2 62a_100000055538_100000749161 [0,1,0,1,0,0|2,0,0]=4 32494 B13R2.3021 O=c1cc(nc[nH]1)SC2CCC2 62a_100012002517_100000749161 [0,1,0,1,0,0|2,0,0]=4 32495 B13R2.3021 O=c1cc[nH]c(c1)SC2CCC2 62a_100009817434_100000749161 [0,1,0,1,0,0|1,0,1]=4 32496 B13R2.3021 O=c1cccc([nH]1)OC2CCC2 34a_100000033347_100000749161 [0,1,0,1,0,0|1,0,1]=4 32497 B13R2.3021 O=c1nc(cc[nH]1)NC2CCC2 27a_100000749019_200000134032 [0,1,0,1,0,0|2,0,0]=4 32498 B13R2.3021 Oc1cc(ncn1)NC2CCC2 27a_100000749019_100000765262 [0,1,0,1,0,0|2,0,0]=4 32499 B13R2.3021 Oc1cccc(c1)CN2CCC2 269982a_100000754969_100000084143 [0,1,0,1,0,0|2,0,0]=4 32500 B13R2.3021 Oc1cccc(c1)NC2CCC2 34a_100000210217_100000749161 [0,1,0,1,0,0|2,0,0]=4 32501 B13R2.3021 Oc1cccc(c1)OC2CCC2 271570a_203496583355_200010986888 [0,1,0,1,0,0|2,0,0]=4 32502 B13R2.3021 Oc1ccnc(n1)NC2CCC2 27a_100000749019_100011649813 [0,1,0,1,0,0|2,0,0]=4 32503 B13R2.3021 [O-][n+]1ccnc(c1)NC2CCC2 27a_100000749019_100009880115 [0,1,0,1,0,0|2,0,0]=4 32504 B13R2.3021 [S]c1cccc(c1)SC2CCC2 62a_114929384022_100000749161 [0,1,0,1,0,0|2,0,0]=4 32505 B13R2.5179 N[C@H]1CCCc2c1ccc(c2)O 271570a_203496583355_100160469487 [0,1,0,1,0,0|2,0,0]=4 32506 B13R2.5179 O=C1CCCc2c1ccc(n2)O 271570a_203496583355_100000089724 [0,1,0,1,0,0|1,0,1]=4 32507 B13R2.5331 Brc1cccc(c1)CNC2CC2 34a_100000174977_100000211595 [0,1,0,1,0,0|2,0,0]=4 32508 B13R2.5331 Brc1cccc(c1)CNC2CC2 34a_100000212008_100000698116 [0,1,0,1,0,0|2,0,0]=4 32509 B13R2.5331 Brc1cccc(c1)COC2CC2 34a_100000687537_100000211595 [0,1,0,1,0,0|2,0,0]=4 32510 B13R2.5331 Brc1cccc(c1)CSC2CC2 62a_100000211773_100000211595 [0,1,0,1,0,0|2,0,0]=4 32511 B13R2.5331 Brc1cccc(c1)NCC2CC2 34a_100000210019_100000742324 [0,1,0,1,0,0|2,0,0]=4 32512 B13R2.5331 Brc1cccc(c1)OCC2CC2 34a_100000210342_100000742324 [0,1,0,1,0,0|2,0,0]=4 32513 B13R2.5331 Brc1cccc(c1)OCC2CC2 7a_100000210342_100000742324 [0,1,0,1,0,0|2,0,0]=4 32514 B13R2.5331 Brc1cccc(c1)SCC2CC2 62a_100000691529_100000742324 [0,1,0,1,0,0|2,0,0]=4 32515 B13R2.5331 Brc1cccc(c1)SCC2CC2 62a_100000756562_100000691529 [0,1,0,1,0,0|2,0,0]=4 32516 B13R2.5331 Brc1cccc(n1)C#CC2CC2 271570a_200009880635_100000684672 [0,1,0,1,0,0|0,0,2]=4 32517 B13R2.5331 Brc1cccc(n1)C=CC2CC2 271570a_100102526188_100000684672 [0,1,0,1,0,0|0,0,2]=4 32518 B13R2.5331 Brc1cccc(n1)CNC2CC2 34a_100000212008_100009889011 [0,1,0,1,0,0|1,0,0]=3 32519 B13R2.5331 Brc1cccc(n1)COC2CC2 34a_100000694195_100000211595 [0,1,0,1,0,0|1,0,0]=3 32520 B13R2.5331 Brc1cccc(n1)CSC2CC2 62a_100009889011_100000211595 [0,1,0,1,0,0|1,0,0]=3 32521 B13R2.5331 Brc1cccc(n1)SCC2CC2 62a_100000684672_100000742324 [0,1,0,1,0,0|1,0,0]=3 32522 B13R2.5331 Brc1cccc(n1)SCC2CC2 62a_100000756562_100000684672 [0,1,0,1,0,0|1,0,0]=3 32523 B13R2.5331 Brc1cccc(n1)SCC2CO2 62a_100000684672_102125554688 [0,1,0,1,0,0|2,0,0]=4 32524 B13R2.5331 Brc1cccc(n1)SCC2CO2 62a_102125554688_100000684672 [0,1,0,1,0,0|2,0,0]=4 32525 B13R2.5331 Brc1cccc(n1)SCC2CS2 62a_100000031435_100000684672 [0,1,0,1,0,0|2,0,0]=4 32526 B13R2.5331 Brc1cccc(n1)SCC2CS2 62a_100000684672_100000031435 [0,1,0,1,0,0|2,0,0]=4 32527 B13R2.5331 Brc1cccc(n1)SC[C@@H]2CO2 62a_100000684672_100000745022 [0,1,0,1,0,0|2,0,0]=4 32528 B13R2.5331 Brc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100000684672 [0,1,0,1,0,0|2,0,0]=4 32529 B13R2.5331 Brc1ccnc(c1)CNC2CC2 34a_100000212008_100010173614 [0,1,0,1,0,0|1,0,0]=3 32530 B13R2.5331 Brc1ccnc(c1)CSC2CC2 62a_100010173614_100000211595 [0,1,0,1,0,0|1,0,0]=3 32531 B13R2.5331 Cc1cc(ncn1)NCC2CC2 27a_100000735609_100000744208 [0,1,0,1,0,0|2,0,0]=4 32532 B13R2.5331 Cc1cc(ncn1)SCC2CC2 62a_100000744208_100000742324 [0,1,0,1,0,0|2,0,0]=4 32533 B13R2.5331 Cc1cc(ncn1)SCC2CC2 62a_100000756562_100000744208 [0,1,0,1,0,0|2,0,0]=4 32534 B13R2.5331 Cc1cccc(c1)CNC2CC2 34a_100000185548_100000211595 [0,1,0,1,0,0|2,0,0]=4 32535 B13R2.5331 Cc1cccc(c1)CNC2CC2 34a_100000212008_100000211840 [0,1,0,1,0,0|2,0,0]=4 32536 B13R2.5331 Cc1cccc(c1)COC2CC2 34a_100011217746_100000211595 [0,1,0,1,0,0|2,0,0]=4 32537 B13R2.5331 Cc1cccc(c1)CSC2CC2 62a_100000211840_100000211595 [0,1,0,1,0,0|2,0,0]=4 32538 B13R2.5331 Cc1cccc(c1)NCC2CC2 2230a_100000188690_100000742324 [0,1,0,1,0,0|2,0,0]=4 32539 B13R2.5331 Cc1cccc(c1)NCC2CC2 34a_100000188690_100000742324 [0,1,0,1,0,0|2,0,0]=4 32540 B13R2.5331 Cc1cccc(c1)OCC2CC2 34a_100000210337_100000742324 [0,1,0,1,0,0|2,0,0]=4 32541 B13R2.5331 Cc1cccc(c1)OCC2CC2 7a_100000210337_100000742324 [0,1,0,1,0,0|2,0,0]=4 32542 B13R2.5331 Cc1cccc(c1)SCC2CC2 62a_100000756562_100011215228 [0,1,0,1,0,0|2,0,0]=4 32543 B13R2.5331 Cc1cccc(c1)SCC2CC2 62a_100011215228_100000742324 [0,1,0,1,0,0|2,0,0]=4 32544 B13R2.5331 Cc1cccc(n1)C#CC2CC2 271570a_200009880635_100000742759 [0,1,0,1,0,0|0,0,2]=4 32545 B13R2.5331 Cc1cccc(n1)C=CC2CC2 271570a_100102526188_100000742759 [0,1,0,1,0,0|0,0,2]=4 32546 B13R2.5331 Cc1cccc(n1)CNC2CC2 34a_100000212008_100000757606 [0,1,0,1,0,0|1,0,0]=3 32547 B13R2.5331 Cc1cccc(n1)CNC2CC2 34a_100000701342_100000211595 [0,1,0,1,0,0|1,0,0]=3 32548 B13R2.5331 Cc1cccc(n1)COC2CC2 34a_100000690600_100000211595 [0,1,0,1,0,0|1,0,0]=3 32549 B13R2.5331 Cc1cccc(n1)CSC2CC2 62a_100000757606_100000211595 [0,1,0,1,0,0|1,0,0]=3 32550 B13R2.5331 Cc1cccc(n1)SCC2CC2 62a_100000742759_100000742324 [0,1,0,1,0,0|1,0,0]=3 32551 B13R2.5331 Cc1cccc(n1)SCC2CC2 62a_100000756562_100000742759 [0,1,0,1,0,0|1,0,0]=3 32552 B13R2.5331 Cc1cccc(n1)SCC2CO2 62a_100000742759_102125554688 [0,1,0,1,0,0|2,0,0]=4 32553 B13R2.5331 Cc1cccc(n1)SCC2CO2 62a_102125554688_100000742759 [0,1,0,1,0,0|2,0,0]=4 32554 B13R2.5331 Cc1cccc(n1)SCC2CS2 62a_100000031435_100000742759 [0,1,0,1,0,0|2,0,0]=4 32555 B13R2.5331 Cc1cccc(n1)SCC2CS2 62a_100000742759_100000031435 [0,1,0,1,0,0|2,0,0]=4 32556 B13R2.5331 Cc1cccc(n1)SC[C@@H]2CO2 62a_100000742759_100000745022 [0,1,0,1,0,0|2,0,0]=4 32557 B13R2.5331 Cc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100000742759 [0,1,0,1,0,0|2,0,0]=4 32558 B13R2.5331 Cc1ccnc(c1)C#CC2CC2 271570a_200009880635_100000750283 [0,1,0,1,0,0|0,0,2]=4 32559 B13R2.5331 Cc1ccnc(c1)C=CC2CC2 271570a_100102526188_100000750283 [0,1,0,1,0,0|0,0,2]=4 32560 B13R2.5331 Cc1ccnc(c1)CNC2CC2 34a_100000212008_100000718516 [0,1,0,1,0,0|1,0,0]=3 32561 B13R2.5331 Cc1ccnc(c1)COC2CC2 34a_100011998357_100000211595 [0,1,0,1,0,0|1,0,0]=3 32562 B13R2.5331 Cc1ccnc(c1)CSC2CC2 62a_100000718516_100000211595 [0,1,0,1,0,0|1,0,0]=3 32563 B13R2.5331 Cc1ccnc(c1)SCC2CC2 62a_100000750283_100000742324 [0,1,0,1,0,0|1,0,0]=3 32564 B13R2.5331 Cc1ccnc(c1)SCC2CC2 62a_100000756562_100000750283 [0,1,0,1,0,0|1,0,0]=3 32565 B13R2.5331 Cc1ccnc(c1)SCC2CO2 62a_100000750283_102125554688 [0,1,0,1,0,0|2,0,0]=4 32566 B13R2.5331 Cc1ccnc(c1)SCC2CO2 62a_102125554688_100000750283 [0,1,0,1,0,0|2,0,0]=4 32567 B13R2.5331 Cc1ccnc(c1)SCC2CS2 62a_100000031435_100000750283 [0,1,0,1,0,0|2,0,0]=4 32568 B13R2.5331 Cc1ccnc(c1)SCC2CS2 62a_100000750283_100000031435 [0,1,0,1,0,0|2,0,0]=4 32569 B13R2.5331 Cc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000750283 [0,1,0,1,0,0|2,0,0]=4 32570 B13R2.5331 Cc1ccnc(c1)SC[C@@H]2CO2 62a_100000750283_100000745022 [0,1,0,1,0,0|2,0,0]=4 32571 B13R2.5331 Cc1ccnc(n1)NCC2CC2 27a_100000735609_100000750684 [0,1,0,1,0,0|2,0,0]=4 32572 B13R2.5331 Cc1ccnc(n1)SCC2CC2 62a_100000756562_100011243806 [0,1,0,1,0,0|2,0,0]=4 32573 B13R2.5331 Cc1ccnc(n1)SCC2CC2 62a_100011243806_100000742324 [0,1,0,1,0,0|2,0,0]=4 32574 B13R2.5331 Cc1cncc(n1)NCC2CC2 27a_100000735609_100000754123 [0,1,0,1,0,0|2,0,0]=4 32575 B13R2.5331 Cc1cncc(n1)SCC2CC2 62a_100000754123_100000742324 [0,1,0,1,0,0|2,0,0]=4 32576 B13R2.5331 Cc1cncc(n1)SCC2CC2 62a_100000756562_100000754123 [0,1,0,1,0,0|2,0,0]=4 32577 B13R2.5331 Cc1cnnc(c1)COC2CC2 34a_100016212594_100000211595 [0,1,0,1,0,0|2,0,0]=4 32578 B13R2.5331 Cc1cnnc(c1)NCC2CC2 27a_100000735609_100000070100 [0,1,0,1,0,0|2,0,0]=4 32579 B13R2.5331 Cc1cnnc(c1)OCC2CC2 34a_100000766097_100000742324 [0,1,0,1,0,0|2,0,0]=4 32580 B13R2.5331 Cc1cnnc(c1)SCC2CC2 62a_100000070100_100000742324 [0,1,0,1,0,0|2,0,0]=4 32581 B13R2.5331 Cc1cnnc(c1)SCC2CC2 62a_100000756562_100000070100 [0,1,0,1,0,0|2,0,0]=4 32582 B13R2.5331 Cc1nccc(n1)NCC2CC2 27a_100000735609_100000749937 [0,1,0,1,0,0|2,0,0]=4 32583 B13R2.5331 Cc1nccc(n1)SCC2CC2 62a_100000749937_100000742324 [0,1,0,1,0,0|2,0,0]=4 32584 B13R2.5331 Cc1nccc(n1)SCC2CC2 62a_100000756562_100000749937 [0,1,0,1,0,0|2,0,0]=4 32585 B13R2.5331 Clc1cc(ncn1)SCC2CC2 62a_100000756562_100010161198 [0,1,0,1,0,0|2,0,0]=4 32586 B13R2.5331 Clc1cc(ncn1)SCC2CC2 62a_100010161198_100000742324 [0,1,0,1,0,0|2,0,0]=4 32587 B13R2.5331 Clc1cccc(c1)CNC2CC2 34a_100000174878_100000211595 [0,1,0,1,0,0|2,0,0]=4 32588 B13R2.5331 Clc1cccc(c1)CNC2CC2 34a_100000212008_100000187163 [0,1,0,1,0,0|2,0,0]=4 32589 B13R2.5331 Clc1cccc(c1)COC2CC2 34a_100000241301_100000211595 [0,1,0,1,0,0|2,0,0]=4 32590 B13R2.5331 Clc1cccc(c1)CSC2CC2 62a_100000187163_100000211595 [0,1,0,1,0,0|2,0,0]=4 32591 B13R2.5331 Clc1cccc(c1)NCC2CC2 34a_100000185859_100000742324 [0,1,0,1,0,0|2,0,0]=4 32592 B13R2.5331 Clc1cccc(c1)OCC2CC2 34a_100000210295_100000742324 [0,1,0,1,0,0|2,0,0]=4 32593 B13R2.5331 Clc1cccc(c1)OCC2CC2 7a_100000210295_100000742324 [0,1,0,1,0,0|2,0,0]=4 32594 B13R2.5331 Clc1cccc(c1)SCC2CC2 62a_100000699651_100000742324 [0,1,0,1,0,0|2,0,0]=4 32595 B13R2.5331 Clc1cccc(c1)SCC2CC2 62a_100000756562_100000699651 [0,1,0,1,0,0|2,0,0]=4 32596 B13R2.5331 Clc1cccc(n1)CNC2CC2 34a_100000212008_100000086093 [0,1,0,1,0,0|1,0,0]=3 32597 B13R2.5331 Clc1cccc(n1)COC2CC2 34a_100011998359_100000211595 [0,1,0,1,0,0|1,0,0]=3 32598 B13R2.5331 Clc1cccc(n1)CSC2CC2 62a_100000086093_100000211595 [0,1,0,1,0,0|1,0,0]=3 32599 B13R2.5331 Clc1cccc(n1)SCC2CC2 62a_100000051397_100000742324 [0,1,0,1,0,0|1,0,0]=3 32600 B13R2.5331 Clc1cccc(n1)SCC2CC2 62a_100000756562_100000051397 [0,1,0,1,0,0|1,0,0]=3 32601 B13R2.5331 Clc1cccc(n1)SCC2CO2 62a_100000051397_102125554688 [0,1,0,1,0,0|2,0,0]=4 32602 B13R2.5331 Clc1cccc(n1)SCC2CO2 62a_102125554688_100000051397 [0,1,0,1,0,0|2,0,0]=4 32603 B13R2.5331 Clc1cccc(n1)SCC2CS2 62a_100000031435_100000051397 [0,1,0,1,0,0|2,0,0]=4 32604 B13R2.5331 Clc1cccc(n1)SCC2CS2 62a_100000051397_100000031435 [0,1,0,1,0,0|2,0,0]=4 32605 B13R2.5331 Clc1cccc(n1)SC[C@@H]2CO2 62a_100000051397_100000745022 [0,1,0,1,0,0|2,0,0]=4 32606 B13R2.5331 Clc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100000051397 [0,1,0,1,0,0|2,0,0]=4 32607 B13R2.5331 Clc1ccnc(c1)C#CC2CC2 271570a_200009880635_100010167805 [0,1,0,1,0,0|0,0,2]=4 32608 B13R2.5331 Clc1ccnc(c1)C=CC2CC2 271570a_100102526188_100010167805 [0,1,0,1,0,0|0,0,2]=4 32609 B13R2.5331 Clc1ccnc(c1)CNC2CC2 34a_100000212008_100016988179 [0,1,0,1,0,0|1,0,0]=3 32610 B13R2.5331 Clc1ccnc(c1)COC2CC2 34a_100000748867_100000211595 [0,1,0,1,0,0|1,0,0]=3 32611 B13R2.5331 Clc1ccnc(c1)CSC2CC2 62a_100016988179_100000211595 [0,1,0,1,0,0|1,0,0]=3 32612 B13R2.5331 Clc1ccnc(c1)SCC2CC2 62a_100000756562_100010167805 [0,1,0,1,0,0|1,0,0]=3 32613 B13R2.5331 Clc1ccnc(c1)SCC2CC2 62a_100010167805_100000742324 [0,1,0,1,0,0|1,0,0]=3 32614 B13R2.5331 Clc1ccnc(c1)SCC2CO2 62a_100010167805_102125554688 [0,1,0,1,0,0|2,0,0]=4 32615 B13R2.5331 Clc1ccnc(c1)SCC2CO2 62a_102125554688_100010167805 [0,1,0,1,0,0|2,0,0]=4 32616 B13R2.5331 Clc1ccnc(c1)SCC2CS2 62a_100000031435_100010167805 [0,1,0,1,0,0|2,0,0]=4 32617 B13R2.5331 Clc1ccnc(c1)SCC2CS2 62a_100010167805_100000031435 [0,1,0,1,0,0|2,0,0]=4 32618 B13R2.5331 Clc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100010167805 [0,1,0,1,0,0|2,0,0]=4 32619 B13R2.5331 Clc1ccnc(c1)SC[C@@H]2CO2 62a_100010167805_100000745022 [0,1,0,1,0,0|2,0,0]=4 32620 B13R2.5331 Clc1cncc(n1)NCC2CC2 27a_100000735609_100010892449 [0,1,0,1,0,0|2,0,0]=4 32621 B13R2.5331 Clc1cncc(n1)SCC2CC2 62a_100000756562_100010892449 [0,1,0,1,0,0|2,0,0]=4 32622 B13R2.5331 Clc1cncc(n1)SCC2CC2 62a_100010892449_100000742324 [0,1,0,1,0,0|2,0,0]=4 32623 B13R2.5331 Clc1nccc(n1)CNC2CC2 34a_100000212008_100000099655 [0,1,0,1,0,0|2,0,0]=4 32624 B13R2.5331 Clc1nccc(n1)CSC2CC2 62a_100000099655_100000211595 [0,1,0,1,0,0|2,0,0]=4 32625 B13R2.5331 Clc1nccc(n1)SCC2CC2 62a_100000756562_100010154678 [0,1,0,1,0,0|2,0,0]=4 32626 B13R2.5331 Clc1nccc(n1)SCC2CC2 62a_100010154678_100000742324 [0,1,0,1,0,0|2,0,0]=4 32627 B13R2.5331 Fc1cc(ncn1)NCC2CC2 27a_100000735609_200009880791 [0,1,0,1,0,0|2,0,0]=4 32628 B13R2.5331 Fc1cc(ncn1)SCC2CC2 62a_100000756562_200009880791 [0,1,0,1,0,0|2,0,0]=4 32629 B13R2.5331 Fc1cc(ncn1)SCC2CC2 62a_200009880791_100000742324 [0,1,0,1,0,0|2,0,0]=4 32630 B13R2.5331 Fc1cccc(c1)CNC2CC2 34a_100000174948_100000211595 [0,1,0,1,0,0|2,0,0]=4 32631 B13R2.5331 Fc1cccc(c1)CNC2CC2 34a_100000212008_100000187166 [0,1,0,1,0,0|2,0,0]=4 32632 B13R2.5331 Fc1cccc(c1)COC2CC2 34a_100000210976_100000211595 [0,1,0,1,0,0|2,0,0]=4 32633 B13R2.5331 Fc1cccc(c1)CSC2CC2 62a_100000230114_100000211595 [0,1,0,1,0,0|2,0,0]=4 32634 B13R2.5331 Fc1cccc(c1)NCC2CC2 34a_100000210047_100000742324 [0,1,0,1,0,0|2,0,0]=4 32635 B13R2.5331 Fc1cccc(c1)OCC2CC2 34a_100000210426_100000742324 [0,1,0,1,0,0|2,0,0]=4 32636 B13R2.5331 Fc1cccc(c1)OCC2CC2 7a_100000210426_100000742324 [0,1,0,1,0,0|2,0,0]=4 32637 B13R2.5331 Fc1cccc(c1)SCC2CC2 62a_100000685547_100000742324 [0,1,0,1,0,0|2,0,0]=4 32638 B13R2.5331 Fc1cccc(c1)SCC2CC2 62a_100000756562_100000685547 [0,1,0,1,0,0|2,0,0]=4 32639 B13R2.5331 Fc1cccc(n1)C#CC2CC2 271570a_200009880635_100009815982 [0,1,0,1,0,0|0,0,2]=4 32640 B13R2.5331 Fc1cccc(n1)C=CC2CC2 271570a_100102526188_100009815982 [0,1,0,1,0,0|0,0,2]=4 32641 B13R2.5331 Fc1cccc(n1)CNC2CC2 34a_100000212008_100009819644 [0,1,0,1,0,0|1,0,0]=3 32642 B13R2.5331 Fc1cccc(n1)CNC2CC2 34a_100015188798_100000211595 [0,1,0,1,0,0|1,0,0]=3 32643 B13R2.5331 Fc1cccc(n1)COC2CC2 34a_100000086748_100000211595 [0,1,0,1,0,0|1,0,0]=3 32644 B13R2.5331 Fc1cccc(n1)CSC2CC2 62a_100009819644_100000211595 [0,1,0,1,0,0|1,0,0]=3 32645 B13R2.5331 Fc1cccc(n1)NCC2CC2 27a_100000735609_100009815982 [0,1,0,1,0,0|1,0,0]=3 32646 B13R2.5331 Fc1cccc(n1)OCC2CC2 34a_100011432558_100000742324 [0,1,0,1,0,0|1,0,0]=3 32647 B13R2.5331 Fc1cccc(n1)OCC2CO2 34a_100011432558_102125554688 [0,1,0,1,0,0|2,0,0]=4 32648 B13R2.5331 Fc1cccc(n1)SCC2CC2 62a_100000756562_100009815982 [0,1,0,1,0,0|1,0,0]=3 32649 B13R2.5331 Fc1cccc(n1)SCC2CC2 62a_100009815982_100000742324 [0,1,0,1,0,0|1,0,0]=3 32650 B13R2.5331 Fc1cccc(n1)SCC2CO2 62a_100009815982_102125554688 [0,1,0,1,0,0|2,0,0]=4 32651 B13R2.5331 Fc1cccc(n1)SCC2CO2 62a_102125554688_100009815982 [0,1,0,1,0,0|2,0,0]=4 32652 B13R2.5331 Fc1cccc(n1)SCC2CS2 62a_100000031435_100009815982 [0,1,0,1,0,0|2,0,0]=4 32653 B13R2.5331 Fc1cccc(n1)SCC2CS2 62a_100009815982_100000031435 [0,1,0,1,0,0|2,0,0]=4 32654 B13R2.5331 Fc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100009815982 [0,1,0,1,0,0|2,0,0]=4 32655 B13R2.5331 Fc1cccc(n1)SC[C@@H]2CO2 62a_100009815982_100000745022 [0,1,0,1,0,0|2,0,0]=4 32656 B13R2.5331 Fc1ccnc(c1)C#CC2CC2 271570a_200009880635_100009817058 [0,1,0,1,0,0|0,0,2]=4 32657 B13R2.5331 Fc1ccnc(c1)C=CC2CC2 271570a_100102526188_100009817058 [0,1,0,1,0,0|0,0,2]=4 32658 B13R2.5331 Fc1ccnc(c1)NCC2CC2 27a_100000735609_100000764206 [0,1,0,1,0,0|1,0,0]=3 32659 B13R2.5331 Fc1ccnc(c1)SCC2CC2 62a_100000756562_100000764206 [0,1,0,1,0,0|1,0,0]=3 32660 B13R2.5331 Fc1ccnc(c1)SCC2CC2 62a_100000764206_100000742324 [0,1,0,1,0,0|1,0,0]=3 32661 B13R2.5331 Fc1ccnc(c1)SCC2CO2 62a_100000764206_102125554688 [0,1,0,1,0,0|2,0,0]=4 32662 B13R2.5331 Fc1ccnc(c1)SCC2CO2 62a_102125554688_100000764206 [0,1,0,1,0,0|2,0,0]=4 32663 B13R2.5331 Fc1ccnc(c1)SCC2CS2 62a_100000031435_100000764206 [0,1,0,1,0,0|2,0,0]=4 32664 B13R2.5331 Fc1ccnc(c1)SCC2CS2 62a_100000764206_100000031435 [0,1,0,1,0,0|2,0,0]=4 32665 B13R2.5331 Fc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000764206 [0,1,0,1,0,0|2,0,0]=4 32666 B13R2.5331 Fc1ccnc(c1)SC[C@@H]2CO2 62a_100000764206_100000745022 [0,1,0,1,0,0|2,0,0]=4 32667 B13R2.5331 Fc1cncc(n1)NCC2CC2 27a_100000735609_200009863489 [0,1,0,1,0,0|2,0,0]=4 32668 B13R2.5331 Fc1cncc(n1)SCC2CC2 62a_100000756562_200009863489 [0,1,0,1,0,0|2,0,0]=4 32669 B13R2.5331 Fc1cncc(n1)SCC2CC2 62a_200009863489_100000742324 [0,1,0,1,0,0|2,0,0]=4 32670 B13R2.5331 Ic1cccc(c1)CNC2CC2 34a_100000106179_100000211595 [0,1,0,1,0,0|2,0,0]=4 32671 B13R2.5331 Ic1cccc(c1)CNC2CC2 34a_100000212008_100011218688 [0,1,0,1,0,0|2,0,0]=4 32672 B13R2.5331 Ic1cccc(c1)COC2CC2 34a_100011215336_100000211595 [0,1,0,1,0,0|2,0,0]=4 32673 B13R2.5331 Ic1cccc(c1)CSC2CC2 62a_100011218688_100000211595 [0,1,0,1,0,0|2,0,0]=4 32674 B13R2.5331 Ic1cccc(c1)NCC2CC2 34a_100000211102_100000742324 [0,1,0,1,0,0|2,0,0]=4 32675 B13R2.5331 Ic1cccc(c1)OCC2CC2 34a_100000211634_100000742324 [0,1,0,1,0,0|2,0,0]=4 32676 B13R2.5331 Ic1cccc(c1)OCC2CC2 7a_100000211634_100000742324 [0,1,0,1,0,0|2,0,0]=4 32677 B13R2.5331 Nc1cc(ncn1)NCC2CC2 27a_100000735609_100000701291 [0,1,0,1,0,0|2,0,0]=4 32678 B13R2.5331 Nc1cc(ncn1)SCC2CC2 62a_100000701291_100000742324 [0,1,0,1,0,0|2,0,0]=4 32679 B13R2.5331 Nc1cc(ncn1)SCC2CC2 62a_100000756562_100000701291 [0,1,0,1,0,0|2,0,0]=4 32680 B13R2.5331 Nc1cccc(c1)COC2CC2 34a_100000211919_100000211595 [0,1,0,1,0,0|2,0,0]=4 32681 B13R2.5331 Nc1cccc(c1)OCC2CC2 34a_100000210217_100000742324 [0,1,0,1,0,0|2,0,0]=4 32682 B13R2.5331 Nc1cccc(c1)SCC2CC2 62a_100000210019_100000742324 [0,1,0,1,0,0|2,0,0]=4 32683 B13R2.5331 Nc1cccc(c1)SCC2CC2 62a_100000756562_100000210019 [0,1,0,1,0,0|2,0,0]=4 32684 B13R2.5331 Nc1cccc(n1)C#CC2CC2 271570a_200009880635_100000740741 [0,1,0,1,0,0|0,0,2]=4 32685 B13R2.5331 Nc1cccc(n1)C=CC2CC2 271570a_100102526188_100000740741 [0,1,0,1,0,0|0,0,2]=4 32686 B13R2.5331 Nc1cccc(n1)SCC2CC2 62a_100000740741_100000742324 [0,1,0,1,0,0|1,0,0]=3 32687 B13R2.5331 Nc1cccc(n1)SCC2CC2 62a_100000756562_100000740741 [0,1,0,1,0,0|1,0,0]=3 32688 B13R2.5331 Nc1cccc(n1)SCC2CO2 62a_100000740741_102125554688 [0,1,0,1,0,0|2,0,0]=4 32689 B13R2.5331 Nc1cccc(n1)SCC2CO2 62a_102125554688_100000740741 [0,1,0,1,0,0|2,0,0]=4 32690 B13R2.5331 Nc1cccc(n1)SCC2CS2 62a_100000031435_100000740741 [0,1,0,1,0,0|2,0,0]=4 32691 B13R2.5331 Nc1cccc(n1)SCC2CS2 62a_100000740741_100000031435 [0,1,0,1,0,0|2,0,0]=4 32692 B13R2.5331 Nc1cccc(n1)SC[C@@H]2CO2 62a_100000740741_100000745022 [0,1,0,1,0,0|2,0,0]=4 32693 B13R2.5331 Nc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100000740741 [0,1,0,1,0,0|2,0,0]=4 32694 B13R2.5331 Nc1ccnc(c1)C#CC2CC2 271570a_200009880635_100009814236 [0,1,0,1,0,0|0,0,2]=4 32695 B13R2.5331 Nc1ccnc(c1)C=CC2CC2 271570a_100102526188_100009814236 [0,1,0,1,0,0|0,0,2]=4 32696 B13R2.5331 Nc1ccnc(c1)COC2CC2 34a_100000692640_100000211595 [0,1,0,1,0,0|1,0,0]=3 32697 B13R2.5331 Nc1ccnc(c1)SCC2CC2 62a_100000756562_100009814236 [0,1,0,1,0,0|1,0,0]=3 32698 B13R2.5331 Nc1ccnc(c1)SCC2CC2 62a_100009814236_100000742324 [0,1,0,1,0,0|1,0,0]=3 32699 B13R2.5331 Nc1ccnc(c1)SCC2CO2 62a_100009814236_102125554688 [0,1,0,1,0,0|2,0,0]=4 32700 B13R2.5331 Nc1ccnc(c1)SCC2CO2 62a_102125554688_100009814236 [0,1,0,1,0,0|2,0,0]=4 32701 B13R2.5331 Nc1ccnc(c1)SCC2CS2 62a_100000031435_100009814236 [0,1,0,1,0,0|2,0,0]=4 32702 B13R2.5331 Nc1ccnc(c1)SCC2CS2 62a_100009814236_100000031435 [0,1,0,1,0,0|2,0,0]=4 32703 B13R2.5331 Nc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100009814236 [0,1,0,1,0,0|2,0,0]=4 32704 B13R2.5331 Nc1ccnc(c1)SC[C@@H]2CO2 62a_100009814236_100000745022 [0,1,0,1,0,0|2,0,0]=4 32705 B13R2.5331 Nc1ccnc(n1)NCC2CC2 27a_100000735609_100000757536 [0,1,0,1,0,0|2,0,0]=4 32706 B13R2.5331 Nc1ccnc(n1)SCC2CC2 62a_100000756562_100000757536 [0,1,0,1,0,0|2,0,0]=4 32707 B13R2.5331 Nc1ccnc(n1)SCC2CC2 62a_100000757536_100000742324 [0,1,0,1,0,0|2,0,0]=4 32708 B13R2.5331 Nc1cncc(n1)SCC2CC2 62a_100000747728_100000742324 [0,1,0,1,0,0|2,0,0]=4 32709 B13R2.5331 Nc1cncc(n1)SCC2CC2 62a_100000756562_100000747728 [0,1,0,1,0,0|2,0,0]=4 32710 B13R2.5331 Nc1cnnc(c1)SCC2CC2 62a_100000756562_100011996757 [0,1,0,1,0,0|2,0,0]=4 32711 B13R2.5331 Nc1cnnc(c1)SCC2CC2 62a_100011996757_100000742324 [0,1,0,1,0,0|2,0,0]=4 32712 B13R2.5331 Nc1nccc(n1)NCC2CC2 27a_100000735609_100000055538 [0,1,0,1,0,0|2,0,0]=4 32713 B13R2.5331 Nc1nccc(n1)SCC2CC2 62a_100000055538_100000742324 [0,1,0,1,0,0|2,0,0]=4 32714 B13R2.5331 Nc1nccc(n1)SCC2CC2 62a_100000756562_100000055538 [0,1,0,1,0,0|2,0,0]=4 32715 B13R2.5331 O=c1cc(nc[nH]1)SCC2CC2 62a_100012002517_100000742324 [0,1,0,1,0,0|2,0,0]=4 32716 B13R2.5331 O=c1cc[nH]c(c1)SCC2CC2 62a_100009817434_100000742324 [0,1,0,1,0,0|1,0,1]=4 32717 B13R2.5331 O=c1cccc([nH]1)OCC2CC2 34a_100000033347_100000742324 [0,1,0,1,0,0|1,0,1]=4 32718 B13R2.5331 O=c1cccc([nH]1)SCC2CC2 62a_100000756562_100000752884 [0,1,0,1,0,0|1,0,1]=4 32719 B13R2.5331 O=c1nc(cc[nH]1)NCC2CC2 27a_100000735609_200000134032 [0,1,0,1,0,0|2,0,0]=4 32720 B13R2.5331 O=c1nc(cc[nH]1)SCC2CC2 62a_100000756562_200000134032 [0,1,0,1,0,0|2,0,0]=4 32721 B13R2.5331 Oc1cc(ncn1)NCC2CC2 27a_100000735609_100000765262 [0,1,0,1,0,0|2,0,0]=4 32722 B13R2.5331 Oc1cc(ncn1)SCC2CC2 62a_100000756562_100000765262 [0,1,0,1,0,0|2,0,0]=4 32723 B13R2.5331 Oc1cccc(c1)CNC2CC2 271570a_203496583355_100000745908 [0,1,0,1,0,0|2,0,0]=4 32724 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000212008_100011660834 [0,1,0,1,0,0|2,0,0]=4 32725 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000743036_100000211595 [0,1,0,1,0,0|2,0,0]=4 32726 B13R2.5331 Oc1cccc(c1)CSC2CC2 62a_100011660834_100000211595 [0,1,0,1,0,0|2,0,0]=4 32727 B13R2.5331 Oc1cccc(c1)NCC2CC2 34a_100000210217_100000742324 [0,1,0,1,0,0|2,0,0]=4 32728 B13R2.5331 Oc1cccc(c1)OCC2CC2 271570a_203496583355_100011316337 [0,1,0,1,0,0|2,0,0]=4 32729 B13R2.5331 Oc1cccc(c1)SCC2CC2 271570a_203496583355_200010212085 [0,1,0,1,0,0|2,0,0]=4 32730 B13R2.5331 Oc1cccc(c1)SCC2CC2 62a_100000756562_100000211634 [0,1,0,1,0,0|2,0,0]=4 32731 B13R2.5331 Oc1ccnc(c1)C#CC2CC2 271570a_200009880635_100000762945 [0,1,0,1,0,0|0,0,2]=4 32732 B13R2.5331 Oc1ccnc(c1)C=CC2CC2 271570a_100102526188_100000762945 [0,1,0,1,0,0|0,0,2]=4 32733 B13R2.5331 Oc1ccnc(c1)SCC2CC2 62a_100000756562_100000762945 [0,1,0,1,0,0|1,0,0]=3 32734 B13R2.5331 Oc1ccnc(c1)SCC2CO2 62a_102125554688_100000762945 [0,1,0,1,0,0|2,0,0]=4 32735 B13R2.5331 Oc1ccnc(c1)SCC2CS2 62a_100000031435_100000762945 [0,1,0,1,0,0|2,0,0]=4 32736 B13R2.5331 Oc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000762945 [0,1,0,1,0,0|2,0,0]=4 32737 B13R2.5331 Oc1ccnc(n1)NCC2CC2 27a_100000735609_100011649813 [0,1,0,1,0,0|2,0,0]=4 32738 B13R2.5331 Oc1ccnc(n1)SCC2CC2 62a_100000756562_100011649813 [0,1,0,1,0,0|2,0,0]=4 32739 B13R2.5331 Oc1cncc(n1)SCC2CC2 62a_100000756562_100011269956 [0,1,0,1,0,0|2,0,0]=4 32740 B13R2.5331 Oc1cnnc(c1)SCC2CC2 62a_100000756562_200010734679 [0,1,0,1,0,0|2,0,0]=4 32741 B13R2.5331 [O-][n+]1ccnc(c1)NCC2CC2 27a_100000735609_100009880115 [0,1,0,1,0,0|2,0,0]=4 32742 B13R2.5331 [O-][n+]1ccnc(c1)SCC2CC2 62a_100000756562_100009880115 [0,1,0,1,0,0|2,0,0]=4 32743 B13R2.5331 [S]c1cccc(c1)SCC2CC2 62a_100000756562_114929384022 [0,1,0,1,0,0|2,0,0]=4 32744 B13R2.5331 [S]c1cccc(c1)SCC2CC2 62a_114929384022_100000742324 [0,1,0,1,0,0|2,0,0]=4 32745 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,1,0,1,0,0|2,0,0]=4 32746 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,1,0,1,0,0|2,0,0]=4 32747 B13R2.690 CC(SC1CC1)c2cnccn2 62a_200000703233_100000211595 [0,1,0,1,0,0|2,0,0]=4 32748 B13R2.690 CN(CC1CC1)c2ccccc2 2230a_100000210012_100000742324 [0,1,0,1,0,0|2,0,0]=4 32749 B13R2.690 CN(CC1CC1)c2ccccc2 269982a_100000210012_100000756562 [0,1,0,1,0,0|2,0,0]=4 32750 B13R2.690 CN(CC1CC1)c2ccccc2 34a_100000210012_100000742324 [0,1,0,1,0,0|2,0,0]=4 32751 B13R2.690 CN(CC1CC1)c2cccnn2 27a_100000741881_100016991348 [0,1,0,1,0,0|2,0,0]=4 32752 B13R2.690 CN(CC1CC1)c2ccncn2 27a_100000741881_100000703185 [0,1,0,1,0,0|2,0,0]=4 32753 B13R2.690 CN(CC1CC1)c2cnccn2 27a_100000741881_100000211759 [0,1,0,1,0,0|2,0,0]=4 32754 B13R2.690 CN(CC1CC1)c2ncccn2 27a_100000741881_100000211032 [0,1,0,1,0,0|2,0,0]=4 32755 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,1,0,1,0,0|2,0,0]=4 32756 B13R2.690 O=C(CC1CC1)c2ccccc2 1458a_100000185807_100000742324 [0,1,0,1,0,0|1,0,1]=4 32757 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,1,0,1,0,0|2,0,0]=4 32758 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,1,0,1,0,0|2,0,0]=4 32759 B13R2.8137 CC(c1cnccn1)N2CCC2 269982a_100000754969_200000703233 [0,1,0,1,0,0|2,0,0]=4 32760 B13R2.8137 CN(c1ccccc1)C2CCC2 269982a_100000210012_100000749161 [0,1,0,1,0,0|2,0,0]=4 32761 B13R2.8137 CN(c1ccccc1)C2CCC2 34a_100000210012_100000749161 [0,1,0,1,0,0|2,0,0]=4 32762 B13R2.8137 CN(c1cccnn1)C2CCC2 27a_100000758072_100016991348 [0,1,0,1,0,0|2,0,0]=4 32763 B13R2.8137 CN(c1ccncn1)C2CCC2 27a_100000758072_100000703185 [0,1,0,1,0,0|2,0,0]=4 32764 B13R2.8137 CN(c1cnccn1)C2CCC2 27a_100000758072_100000211759 [0,1,0,1,0,0|2,0,0]=4 32765 B13R2.8137 CN(c1ncccn1)C2CCC2 27a_100000758072_100000211032 [0,1,0,1,0,0|2,0,0]=4 32766 B13R2.8137 O=C(c1ccccc1)C2CCC2 1458a_100000185807_100000749161 [0,1,0,1,0,0|1,0,1]=4 32767 B13R2.26 CCCN1Cc2ccccc2C1 2230a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 32768 B13R2.26 CCCN1Cc2ccccc2C1 269982a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 32769 B13R2.26 CCCN1Cc2ccccc2C1 34a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 32770 B13R2.26 CCCN1Cc2cccnc2C1 269982a_100000726175_100000210303 [0,1,0,1,0,0|1,0,0]=3 32771 B13R2.26 CCCN1Cc2cncnc2C1 269982a_100015200256_100000210303 [0,1,0,1,0,0|2,0,0]=4 32772 B13R2.26 CCNC1Cc2ccccc2C1 2230a_100000753258_100000210202 [0,1,0,1,0,0|2,0,0]=4 32773 B13R2.26 CCNC1Cc2ccccc2C1 34a_100000753258_100000210202 [0,1,0,1,0,0|2,0,0]=4 32774 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,1,0,1,0,0|2,0,0]=4 32775 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,1,0,1,0,0|2,0,0]=4 32776 B13R2.26 CCSC1Cc2ccccc2C1 62a_100000210202_100000753484 [0,1,0,1,0,0|2,0,0]=4 32777 B13R2.26 CNCC1Cc2ccccc2C1 2230a_100000757167_200000210301 [0,1,0,1,0,0|2,0,0]=4 32778 B13R2.26 CNCC1Cc2ccccc2C1 34a_100000757167_200000210301 [0,1,0,1,0,0|2,0,0]=4 32779 B13R2.26 CNCC1Cc2ccccc2O1 2230a_100015207006_200000210301 [0,1,0,1,0,0|2,0,0]=4 32780 B13R2.26 CNCC1Cc2ccccc2O1 34a_100015207006_200000210301 [0,1,0,1,0,0|2,0,0]=4 32781 B13R2.26 COCC1Cc2ccccc2C1 34a_100000720471_200000210301 [0,1,0,1,0,0|2,0,0]=4 32782 B13R2.26 COCC1Cc2ccccc2O1 34a_100011273944_200000210301 [0,1,0,1,0,0|2,0,0]=4 32783 B13R2.26 COCN1Cc2cccnc2C1 269982a_100000726175_100000766300 [0,1,0,1,0,0|2,0,0]=4 32784 B13R2.26 COC[C@@H]1Cc2ccccc2N1 34a_100011830367_200000210301 [0,1,0,1,0,0|2,0,0]=4 32785 B13R2.26 CSCN1Cc2cccnc2C1 269982a_100000726175_100011218213 [0,1,0,1,0,0|2,0,0]=4 32786 B13R2.26 FCCN1Cc2cccnc2C1 269982a_100000726175_100011217306 [0,1,0,1,0,0|2,0,0]=4 32787 B13R2.26 OCCN1Cc2cccnc2C1 269982a_100000726175_100000211926 [0,1,0,1,0,0|2,0,0]=4 32788 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 2230a_100000757167_200025704644 [0,1,0,1,0,0|2,0,0]=4 32789 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 34a_100000757167_200025704644 [0,1,0,1,0,0|2,0,0]=4 32790 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 2230a_100015207006_200025704644 [0,1,0,1,0,0|2,0,0]=4 32791 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 34a_100015207006_200025704644 [0,1,0,1,0,0|2,0,0]=4 32792 B13R2.26 [13CH3]OCC1Cc2ccccc2C1 34a_100000720471_200025704644 [0,1,0,1,0,0|2,0,0]=4 32793 B13R2.26 [13CH3]OCC1Cc2ccccc2O1 34a_100011273944_200025704644 [0,1,0,1,0,0|2,0,0]=4 32794 B13R2.26 [13CH3]OC[C@@H]1Cc2ccccc2N1 34a_100011830367_200025704644 [0,1,0,1,0,0|2,0,0]=4 32795 B13R2.31 CC1CN(C1)Cc2ccccc2 2230a_100000702820_100015291786 [0,1,0,1,0,0|2,0,0]=4 32796 B13R2.31 CC1CN(C1)Cc2ccccc2 269982a_100000702820_100000211182 [0,1,0,1,0,0|2,0,0]=4 32797 B13R2.31 CC1CN(C1)Cc2ccccc2 270004a_100000702820_100015611070 [0,1,0,1,0,0|2,0,0]=4 32798 B13R2.31 CC1CN(C1)Cc2ccccc2 34a_100000702820_100015291786 [0,1,0,1,0,0|2,0,0]=4 32799 B13R2.31 CC1CN(C1)Cc2ccccn2 2230a_100000702820_100000721315 [0,1,0,1,0,0|1,0,0]=3 32800 B13R2.31 CC1CN(C1)Cc2ccccn2 269982a_100000702820_100000721315 [0,1,0,1,0,0|1,0,0]=3 32801 B13R2.31 CC1CN(C1)Cc2ccccn2 270004a_100000702820_100000209966 [0,1,0,1,0,0|1,0,0]=3 32802 B13R2.31 CC1CN(C1)Cc2ccccn2 34a_100000702820_100000721315 [0,1,0,1,0,0|1,0,0]=3 32803 B13R2.31 CC1CN(C1)Cc2cccnn2 2230a_100000702820_100016990269 [0,1,0,1,0,0|2,0,0]=4 32804 B13R2.31 CC1CN(C1)Cc2cccnn2 34a_100000702820_100016990269 [0,1,0,1,0,0|2,0,0]=4 32805 B13R2.31 CC1CN(C1)Cc2cnccn2 2230a_100000702820_100016995436 [0,1,0,1,0,0|2,0,0]=4 32806 B13R2.31 CC1CN(C1)Cc2cnccn2 269982a_100000702820_100016995436 [0,1,0,1,0,0|2,0,0]=4 32807 B13R2.31 CC1CN(C1)Cc2cnccn2 270004a_100000702820_100000749867 [0,1,0,1,0,0|2,0,0]=4 32808 B13R2.31 CC1CN(C1)Cc2cnccn2 34a_100000702820_100016995436 [0,1,0,1,0,0|2,0,0]=4 32809 B13R2.31 CC1CN(C1)Cc2ncccn2 2230a_100000702820_100000703007 [0,1,0,1,0,0|2,0,0]=4 32810 B13R2.31 CC1CN(C1)Cc2ncccn2 269982a_100000702820_100000703007 [0,1,0,1,0,0|2,0,0]=4 32811 B13R2.31 CC1CN(C1)Cc2ncccn2 270004a_100000702820_100011532527 [0,1,0,1,0,0|2,0,0]=4 32812 B13R2.31 CC1CN(C1)Cc2ncccn2 34a_100000702820_100000703007 [0,1,0,1,0,0|2,0,0]=4 32813 B13R2.31 CN1CC(C1)Oc2ccccn2 269982a_100132309326_200000210301 [0,1,0,1,0,0|2,0,0]=4 32814 B13R2.31 FC1CC(C1)Nc2cccnn2 27a_100016993743_100016991348 [0,1,0,1,0,0|2,0,0]=4 32815 B13R2.31 FC1CC(C1)Nc2ccncn2 27a_100016993743_100000703185 [0,1,0,1,0,0|2,0,0]=4 32816 B13R2.31 FC1CC(C1)Nc2cnccn2 27a_100016993743_100000211759 [0,1,0,1,0,0|2,0,0]=4 32817 B13R2.31 FC1CC(C1)Nc2ncccn2 27a_100016993743_100000211032 [0,1,0,1,0,0|2,0,0]=4 32818 B13R2.31 FC1CN(C1)Cc2ccccc2 2230a_100000690557_100015291786 [0,1,0,1,0,0|2,0,0]=4 32819 B13R2.31 FC1CN(C1)Cc2ccccc2 269982a_100000690557_100000211182 [0,1,0,1,0,0|2,0,0]=4 32820 B13R2.31 FC1CN(C1)Cc2ccccc2 270004a_100000690557_100015611070 [0,1,0,1,0,0|2,0,0]=4 32821 B13R2.31 FC1CN(C1)Cc2ccccc2 34a_100000690557_100015291786 [0,1,0,1,0,0|2,0,0]=4 32822 B13R2.31 FC1CN(C1)Cc2ccccn2 2230a_100000690557_100000721315 [0,1,0,1,0,0|1,0,0]=3 32823 B13R2.31 FC1CN(C1)Cc2ccccn2 269982a_100000690557_100000721315 [0,1,0,1,0,0|1,0,0]=3 32824 B13R2.31 FC1CN(C1)Cc2ccccn2 270004a_100000690557_100000209966 [0,1,0,1,0,0|1,0,0]=3 32825 B13R2.31 FC1CN(C1)Cc2ccccn2 34a_100000690557_100000721315 [0,1,0,1,0,0|1,0,0]=3 32826 B13R2.31 FC1CN(C1)Cc2cccnn2 2230a_100000690557_100016990269 [0,1,0,1,0,0|2,0,0]=4 32827 B13R2.31 FC1CN(C1)Cc2cccnn2 34a_100000690557_100016990269 [0,1,0,1,0,0|2,0,0]=4 32828 B13R2.31 FC1CN(C1)Cc2cnccn2 2230a_100000690557_100016995436 [0,1,0,1,0,0|2,0,0]=4 32829 B13R2.31 FC1CN(C1)Cc2cnccn2 269982a_100000690557_100016995436 [0,1,0,1,0,0|2,0,0]=4 32830 B13R2.31 FC1CN(C1)Cc2cnccn2 270004a_100000690557_100000749867 [0,1,0,1,0,0|2,0,0]=4 32831 B13R2.31 FC1CN(C1)Cc2cnccn2 34a_100000690557_100016995436 [0,1,0,1,0,0|2,0,0]=4 32832 B13R2.31 FC1CN(C1)Cc2ncccn2 2230a_100000690557_100000703007 [0,1,0,1,0,0|2,0,0]=4 32833 B13R2.31 FC1CN(C1)Cc2ncccn2 269982a_100000690557_100000703007 [0,1,0,1,0,0|2,0,0]=4 32834 B13R2.31 FC1CN(C1)Cc2ncccn2 270004a_100000690557_100011532527 [0,1,0,1,0,0|2,0,0]=4 32835 B13R2.31 FC1CN(C1)Cc2ncccn2 34a_100000690557_100000703007 [0,1,0,1,0,0|2,0,0]=4 32836 B13R2.31 O=C1CC(C1)Sc2ccccn2 62a_100009894365_100011216584 [0,1,0,1,0,0|1,0,1]=4 32837 B13R2.31 OC1CN(C1)Cc2ccccc2 269982a_100000749847_100000211182 [0,1,0,1,0,0|2,0,0]=4 32838 B13R2.31 OC1CN(C1)Cc2ccccn2 269982a_100000749847_100000721315 [0,1,0,1,0,0|1,0,0]=3 32839 B13R2.31 OC1CN(C1)Cc2cnccn2 269982a_100000749847_100016995436 [0,1,0,1,0,0|2,0,0]=4 32840 B13R2.31 OC1CN(C1)Cc2ncccn2 269982a_100000749847_100000703007 [0,1,0,1,0,0|2,0,0]=4 32841 B13R2.31 O[C@H]1C[C@@H](C1)Nc2cccnn2 27a_100020629032_100016991348 [0,1,0,1,0,0|2,0,0]=4 32842 B13R2.31 O[C@H]1C[C@@H](C1)Nc2ccncn2 27a_100020629032_100000703185 [0,1,0,1,0,0|2,0,0]=4 32843 B13R2.31 O[C@H]1C[C@@H](C1)Nc2cnccn2 27a_100020629032_100000211759 [0,1,0,1,0,0|2,0,0]=4 32844 B13R2.31 O[C@H]1C[C@@H](C1)Nc2ncccn2 27a_100020629032_100000211032 [0,1,0,1,0,0|2,0,0]=4 32845 B13R2.31 [13CH3]N1CC(C1)Oc2ccccn2 269982a_100132309326_200025704644 [0,1,0,1,0,0|2,0,0]=4 32846 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,1,0,1,0,0|2,0,0]=4 32847 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,1,0,1,0,0|2,0,0]=4 32848 B13R2.163 CN1CCCc2ccccc2C1 2230a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 32849 B13R2.163 CN1CCCc2ccccc2C1 269982a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 32850 B13R2.163 CN1CCCc2ccccc2C1 34a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 32851 B13R2.163 [13CH3]N1CCCc2ccccc2C1 2230a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 32852 B13R2.163 [13CH3]N1CCCc2ccccc2C1 269982a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 32853 B13R2.163 [13CH3]N1CCCc2ccccc2C1 34a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 32854 B13R2.221 CC1(CCC1)Nc2cccnn2 27a_100000692455_100016991348 [0,1,0,1,0,0|2,0,0]=4 32855 B13R2.221 CC1(CCC1)Nc2ccncn2 27a_100000692455_100000703185 [0,1,0,1,0,0|2,0,0]=4 32856 B13R2.221 CC1(CCC1)Nc2cnccn2 27a_100000692455_100000211759 [0,1,0,1,0,0|2,0,0]=4 32857 B13R2.221 CC1(CCC1)Nc2ncccn2 27a_100000692455_100000211032 [0,1,0,1,0,0|2,0,0]=4 32858 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 32859 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 32860 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 32861 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 32862 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 32863 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 32864 B13R2.444 CC(Nc1cccnn1)C2CC2 27a_100000700016_100016991348 [0,1,0,1,0,0|2,0,0]=4 32865 B13R2.444 CC(Nc1ccncn1)C2CC2 27a_100000700016_100000703185 [0,1,0,1,0,0|2,0,0]=4 32866 B13R2.444 CC(Nc1cnccn1)C2CC2 27a_100000700016_100000211759 [0,1,0,1,0,0|2,0,0]=4 32867 B13R2.444 CC(Nc1ncccn1)C2CC2 27a_100000700016_100000211032 [0,1,0,1,0,0|2,0,0]=4 32868 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000226674_100015291786 [0,1,0,1,0,0|2,0,0]=4 32869 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 32870 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000186898_100000211595 [0,1,0,1,0,0|2,0,0]=4 32871 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000226674_100000211182 [0,1,0,1,0,0|2,0,0]=4 32872 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 32873 B13R2.444 CN(Cc1ccccc1)C2CC2 270004a_100000226674_100015611070 [0,1,0,1,0,0|2,0,0]=4 32874 B13R2.444 CN(Cc1ccccc1)C2CC2 34a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 32875 B13R2.444 CN(Cc1ccccn1)C2CC2 2230a_100000201565_200000210301 [0,1,0,1,0,0|1,0,0]=3 32876 B13R2.444 CN(Cc1ccccn1)C2CC2 2230a_100000226674_100000721315 [0,1,0,1,0,0|1,0,0]=3 32877 B13R2.444 CN(Cc1ccccn1)C2CC2 269982a_100000201565_200000210301 [0,1,0,1,0,0|1,0,0]=3 32878 B13R2.444 CN(Cc1ccccn1)C2CC2 269982a_100000207498_100000211595 [0,1,0,1,0,0|1,0,0]=3 32879 B13R2.444 CN(Cc1ccccn1)C2CC2 269982a_100000226674_100000721315 [0,1,0,1,0,0|1,0,0]=3 32880 B13R2.444 CN(Cc1ccccn1)C2CC2 270004a_100000226674_100000209966 [0,1,0,1,0,0|1,0,0]=3 32881 B13R2.444 CN(Cc1cccnn1)C2CC2 2230a_100000226674_100016990269 [0,1,0,1,0,0|2,0,0]=4 32882 B13R2.444 CN(Cc1cnccn1)C2CC2 2230a_100000226674_100016995436 [0,1,0,1,0,0|2,0,0]=4 32883 B13R2.444 CN(Cc1cnccn1)C2CC2 269982a_100000226674_100016995436 [0,1,0,1,0,0|2,0,0]=4 32884 B13R2.444 CN(Cc1cnccn1)C2CC2 269982a_100011269079_100000211595 [0,1,0,1,0,0|2,0,0]=4 32885 B13R2.444 CN(Cc1cnccn1)C2CC2 270004a_100000226674_100000749867 [0,1,0,1,0,0|2,0,0]=4 32886 B13R2.444 CN(Cc1ncccn1)C2CC2 2230a_100000226674_100000703007 [0,1,0,1,0,0|2,0,0]=4 32887 B13R2.444 CN(Cc1ncccn1)C2CC2 269982a_100000226674_100000703007 [0,1,0,1,0,0|2,0,0]=4 32888 B13R2.444 CN(Cc1ncccn1)C2CC2 269982a_100025716638_100000211595 [0,1,0,1,0,0|2,0,0]=4 32889 B13R2.444 CN(Cc1ncccn1)C2CC2 270004a_100000226674_100011532527 [0,1,0,1,0,0|2,0,0]=4 32890 B13R2.444 O=C(Cc1ccccc1)C2CC2 1458a_100000210395_100015291786 [0,1,0,1,0,0|1,0,1]=4 32891 B13R2.444 O=C(Cc1ccccn1)C2CC2 1458a_100000210395_100000721315 [0,1,0,1,0,0|0,0,1]=3 32892 B13R2.444 O=C(Cc1ccccn1)C2CO2 1458a_100000701028_100000721315 [0,1,0,1,0,0|1,0,1]=4 32893 B13R2.444 O=C(Cc1cccnn1)C2CC2 1458a_100000210395_100016990269 [0,1,0,1,0,0|1,0,1]=4 32894 B13R2.444 O=C(Cc1cnccn1)C2CC2 1458a_100000210395_100016995436 [0,1,0,1,0,0|1,0,1]=4 32895 B13R2.444 O=C(Cc1ncccn1)C2CC2 1458a_100000210395_100000703007 [0,1,0,1,0,0|1,0,1]=4 32896 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 2230a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 32897 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 269982a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 32898 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 34a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 32899 B13R2.444 [13CH3]N(Cc1ccccn1)C2CC2 2230a_100000201565_200025704644 [0,1,0,1,0,0|1,0,0]=3 32900 B13R2.444 [13CH3]N(Cc1ccccn1)C2CC2 269982a_100000201565_200025704644 [0,1,0,1,0,0|1,0,0]=3 32901 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,1,0,1,0,0|1,0,1]=4 32902 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [0,1,0,1,0,0|2,0,0]=4 32903 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [0,1,0,1,0,0|2,0,0]=4 32904 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,1,0,1,0,0|1,0,1]=4 32905 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,1,0,1,0,0|1,0,1]=4 32906 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,1,0,1,0,0|1,0,1]=4 32907 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100000210206_100009813401 [0,1,0,1,0,0|2,0,0]=4 32908 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100009813401_100000210206 [0,1,0,1,0,0|2,0,0]=4 32909 B13R2.9 CNC1CCc2c1cccc2Br 2230a_100000751068_200000210301 [0,1,0,1,0,0|2,0,0]=4 32910 B13R2.9 CNC1CCc2c1cccc2Br 269862a_106832991636_100000744605 [0,1,0,1,0,0|2,0,0]=4 32911 B13R2.9 CNC1CCc2c1cccc2Br 34a_100000751068_200000210301 [0,1,0,1,0,0|2,0,0]=4 32912 B13R2.9 CNC1CCc2c1cccc2C 269862a_106832991636_100000752022 [0,1,0,1,0,0|2,0,0]=4 32913 B13R2.9 CNC1CCc2c1cccc2Cl 2230a_100000743989_200000210301 [0,1,0,1,0,0|2,0,0]=4 32914 B13R2.9 CNC1CCc2c1cccc2Cl 269862a_106832991636_100000743251 [0,1,0,1,0,0|2,0,0]=4 32915 B13R2.9 CNC1CCc2c1cccc2Cl 34a_100000743989_200000210301 [0,1,0,1,0,0|2,0,0]=4 32916 B13R2.9 CNC1CCc2c1cccc2F 269862a_106832991636_100000743250 [0,1,0,1,0,0|2,0,0]=4 32917 B13R2.9 CNC1CCc2c1cccc2I 269862a_106832991636_100000049675 [0,1,0,1,0,0|2,0,0]=4 32918 B13R2.9 CN[C@H]1CCc2c1cccc2C 2230a_100134618347_200000210301 [0,1,0,1,0,0|2,0,0]=4 32919 B13R2.9 CN[C@H]1CCc2c1cccc2C 34a_100134618347_200000210301 [0,1,0,1,0,0|2,0,0]=4 32920 B13R2.9 CN[C@H]1CCc2c1cccc2F 2230a_100015193782_200000210301 [0,1,0,1,0,0|2,0,0]=4 32921 B13R2.9 CN[C@H]1CCc2c1cccc2F 34a_100015193782_200000210301 [0,1,0,1,0,0|2,0,0]=4 32922 B13R2.9 CN[C@H]1CCc2c1cccc2O 2230a_100134616730_200000210301 [0,1,0,1,0,0|2,0,0]=4 32923 B13R2.9 CN[C@H]1CCc2c1cccc2O 34a_100134616730_200000210301 [0,1,0,1,0,0|2,0,0]=4 32924 B13R2.9 COC1CCc2c1cccc2C 34a_100011467954_200000210301 [0,1,0,1,0,0|2,0,0]=4 32925 B13R2.9 COC1CCc2c1cccc2C 7a_100011467954_200000210301 [0,1,0,1,0,0|2,0,0]=4 32926 B13R2.9 CO[C@H]1CCc2c1cccc2Br 34a_100010080924_200000210301 [0,1,0,1,0,0|2,0,0]=4 32927 B13R2.9 CO[C@H]1CCc2c1cccc2Br 7a_100010080924_200000210301 [0,1,0,1,0,0|2,0,0]=4 32928 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 34a_100011467954_200025704644 [0,1,0,1,0,0|2,0,0]=4 32929 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 7a_100011467954_200025704644 [0,1,0,1,0,0|2,0,0]=4 32930 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 2230a_100134618347_200025704644 [0,1,0,1,0,0|2,0,0]=4 32931 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 34a_100134618347_200025704644 [0,1,0,1,0,0|2,0,0]=4 32932 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 2230a_100000751068_200025704644 [0,1,0,1,0,0|2,0,0]=4 32933 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 34a_100000751068_200025704644 [0,1,0,1,0,0|2,0,0]=4 32934 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 2230a_100000743989_200025704644 [0,1,0,1,0,0|2,0,0]=4 32935 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 34a_100000743989_200025704644 [0,1,0,1,0,0|2,0,0]=4 32936 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 2230a_100015193782_200025704644 [0,1,0,1,0,0|2,0,0]=4 32937 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 34a_100015193782_200025704644 [0,1,0,1,0,0|2,0,0]=4 32938 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 2230a_100134616730_200025704644 [0,1,0,1,0,0|2,0,0]=4 32939 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 34a_100134616730_200025704644 [0,1,0,1,0,0|2,0,0]=4 32940 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 34a_100010080924_200025704644 [0,1,0,1,0,0|2,0,0]=4 32941 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 7a_100010080924_200025704644 [0,1,0,1,0,0|2,0,0]=4 32942 B13R2.18 Brc1cccnc1C2=CCCC2 271570a_100000089523_100000696092 [0,1,0,1,0,0|0,0,2]=4 32943 B13R2.18 Brc1cccnc1N2CCCC2 27a_100000188435_100000696092 [0,1,0,1,0,0|1,0,0]=3 32944 B13R2.18 Brc1cccnc1N2CCSC2 27a_100011215254_100000696092 [0,1,0,1,0,0|2,0,0]=4 32945 B13R2.18 Cc1cccnc1C2=CCCC2 271570a_100000089523_100000751373 [0,1,0,1,0,0|0,0,2]=4 32946 B13R2.18 Cc1ccnnc1N2CCCC2 27a_100000188435_100000089043 [0,1,0,1,0,0|2,0,0]=4 32947 B13R2.18 Cc1cncnc1N2CCCC2 27a_100000188435_100011998708 [0,1,0,1,0,0|2,0,0]=4 32948 B13R2.18 Cc1nccnc1N2CCCC2 27a_100000188435_100011999405 [0,1,0,1,0,0|2,0,0]=4 32949 B13R2.18 Clc1cccnc1C2=CCCC2 271570a_100000089523_100011356963 [0,1,0,1,0,0|0,0,2]=4 32950 B13R2.18 Fc1cccnc1C2=CCCC2 271570a_100000089523_100000685392 [0,1,0,1,0,0|0,0,2]=4 32951 B13R2.18 Fc1cncnc1N2CCCC2 27a_100000188435_100000069762 [0,1,0,1,0,0|2,0,0]=4 32952 B13R2.18 Fc1nccnc1N2CCCC2 27a_100000188435_200010125657 [0,1,0,1,0,0|2,0,0]=4 32953 B13R2.18 Nc1cccnc1C2=CCCC2 271570a_100000089523_100000688686 [0,1,0,1,0,0|0,0,2]=4 32954 B13R2.18 Nc1cncnc1N2CCCC2 27a_100000188435_100000709731 [0,1,0,1,0,0|2,0,0]=4 32955 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [0,1,0,1,0,0|2,0,0]=4 32956 B13R2.18 Oc1ccccc1C2CCNC2 271570a_203496583355_100010170462 [0,1,0,1,0,0|2,0,0]=4 32957 B13R2.18 Oc1ccccc1N2CCCC2 271570a_203496583355_100011821364 [0,1,0,1,0,0|2,0,0]=4 32958 B13R2.18 Oc1cccnc1C2=CCCC2 271570a_100000089523_100000034122 [0,1,0,1,0,0|0,0,2]=4 32959 B13R2.18 Oc1cccnc1N2CCCC2 271570a_203496583355_200103154644 [0,1,0,1,0,0|1,0,0]=3 32960 B13R2.18 Oc1cncnc1C2CCCC2 271570a_203496583355_200009816990 [0,1,0,1,0,0|1,0,0]=3 32961 B13R2.18 Oc1nccnc1N2CCCC2 271570a_203496583355_200011529397 [0,1,0,1,0,0|2,0,0]=4 32962 B13R2.215 CC1CCN1c2ncccc2Br 27a_100000755817_100000696092 [0,1,0,1,0,0|1,0,0]=3 32963 B13R2.215 CC1CCN1c2nccnc2F 27a_100000755817_200010125657 [0,1,0,1,0,0|2,0,0]=4 32964 B13R2.215 CC1CCN1c2ncncc2F 27a_100000755817_100000069762 [0,1,0,1,0,0|2,0,0]=4 32965 B13R2.215 CC1CCN1c2ncncc2N 27a_100000755817_100000709731 [0,1,0,1,0,0|2,0,0]=4 32966 B13R2.215 Cc1ccnnc1N2CCC2C 27a_100000755817_100000089043 [0,1,0,1,0,0|2,0,0]=4 32967 B13R2.215 Cc1cncnc1N2CCC2C 27a_100000755817_100011998708 [0,1,0,1,0,0|2,0,0]=4 32968 B13R2.215 Cc1nccnc1N2CCC2C 27a_100000755817_100011999405 [0,1,0,1,0,0|2,0,0]=4 32969 B13R2.342 NC1CCCc2c1cccc2O 271570a_203496583355_100020639248 [0,1,0,1,0,0|2,0,0]=4 32970 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [0,1,0,1,0,0|2,0,0]=4 32971 B13R2.377 F[C@@H]1C[C@H]1Nc2ncccc2Br 27a_100025746932_100000696092 [0,1,0,1,0,0|2,0,0]=4 32972 B13R2.377 F[C@H]1C[C@H]1Nc2ncccc2Br 27a_100015190264_100000696092 [0,1,0,1,0,0|2,0,0]=4 32973 B13R2.567 CNC1CC1c2ccccc2F 2230a_100000753450_200000210301 [0,1,0,1,0,0|2,0,0]=4 32974 B13R2.567 CNC1CC1c2ccccc2F 34a_100000753450_200000210301 [0,1,0,1,0,0|2,0,0]=4 32975 B13R2.567 [13CH3]NC1CC1c2ccccc2F 2230a_100000753450_200025704644 [0,1,0,1,0,0|2,0,0]=4 32976 B13R2.567 [13CH3]NC1CC1c2ccccc2F 34a_100000753450_200025704644 [0,1,0,1,0,0|2,0,0]=4 32977 B13R2.3587 Brc1ccccc1CNC2CC2 34a_100000212008_100000184730 [0,1,0,1,0,0|2,0,0]=4 32978 B13R2.3587 Brc1ccccc1CNC2CC2 34a_100000689332_100000211595 [0,1,0,1,0,0|2,0,0]=4 32979 B13R2.3587 Brc1ccccc1COC2CC2 34a_100000756307_100000211595 [0,1,0,1,0,0|2,0,0]=4 32980 B13R2.3587 Brc1ccccc1CSC2CC2 62a_100000184730_100000211595 [0,1,0,1,0,0|2,0,0]=4 32981 B13R2.3587 Brc1ccccc1NCC2CC2 34a_100000210017_100000742324 [0,1,0,1,0,0|2,0,0]=4 32982 B13R2.3587 Brc1ccccc1OCC2CC2 34a_100000181306_100000742324 [0,1,0,1,0,0|2,0,0]=4 32983 B13R2.3587 Brc1ccccc1OCC2CC2 7a_100000181306_100000742324 [0,1,0,1,0,0|2,0,0]=4 32984 B13R2.3587 Brc1ccccc1SCC2CC2 62a_100000695589_100000742324 [0,1,0,1,0,0|2,0,0]=4 32985 B13R2.3587 Brc1ccccc1SCC2CC2 62a_100000756562_100000695589 [0,1,0,1,0,0|2,0,0]=4 32986 B13R2.3587 Brc1cccnc1C#CC2CC2 271570a_200009880635_100000696092 [0,1,0,1,0,0|0,0,2]=4 32987 B13R2.3587 Brc1cccnc1C=CC2CC2 271570a_100102526188_100000696092 [0,1,0,1,0,0|0,0,2]=4 32988 B13R2.3587 Brc1cccnc1CNC2CC2 34a_100000212008_100025702911 [0,1,0,1,0,0|1,0,0]=3 32989 B13R2.3587 Brc1cccnc1COC2CC2 34a_100011996772_100000211595 [0,1,0,1,0,0|1,0,0]=3 32990 B13R2.3587 Brc1cccnc1CSC2CC2 62a_100025702911_100000211595 [0,1,0,1,0,0|1,0,0]=3 32991 B13R2.3587 Brc1cccnc1NCC2CC2 27a_100000735609_100000696092 [0,1,0,1,0,0|1,0,0]=3 32992 B13R2.3587 Brc1cccnc1SCC2CC2 62a_100000696092_100000742324 [0,1,0,1,0,0|1,0,0]=3 32993 B13R2.3587 Brc1cccnc1SCC2CC2 62a_100000756562_100000696092 [0,1,0,1,0,0|1,0,0]=3 32994 B13R2.3587 Brc1cccnc1SCC2CO2 62a_100000696092_102125554688 [0,1,0,1,0,0|2,0,0]=4 32995 B13R2.3587 Brc1cccnc1SCC2CO2 62a_102125554688_100000696092 [0,1,0,1,0,0|2,0,0]=4 32996 B13R2.3587 Brc1cccnc1SCC2CS2 62a_100000031435_100000696092 [0,1,0,1,0,0|2,0,0]=4 32997 B13R2.3587 Brc1cccnc1SCC2CS2 62a_100000696092_100000031435 [0,1,0,1,0,0|2,0,0]=4 32998 B13R2.3587 Brc1cccnc1SC[C@@H]2CO2 62a_100000696092_100000745022 [0,1,0,1,0,0|2,0,0]=4 32999 B13R2.3587 Brc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000696092 [0,1,0,1,0,0|2,0,0]=4 33000 B13R2.3587 C[n+]1ccccc1SCC2CC2 62a_100000756562_100000212160 [0,1,0,1,0,0|1,0,1]=4 33001 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000174972_100000211595 [0,1,0,1,0,0|2,0,0]=4 33002 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000212008_100000211839 [0,1,0,1,0,0|2,0,0]=4 33003 B13R2.3587 Cc1ccccc1COC2CC2 34a_100000698903_100000211595 [0,1,0,1,0,0|2,0,0]=4 33004 B13R2.3587 Cc1ccccc1CSC2CC2 62a_100000211839_100000211595 [0,1,0,1,0,0|2,0,0]=4 33005 B13R2.3587 Cc1ccccc1NCC2CC2 34a_100015192222_100000742324 [0,1,0,1,0,0|2,0,0]=4 33006 B13R2.3587 Cc1ccccc1OCC2CC2 34a_100000210338_100000742324 [0,1,0,1,0,0|2,0,0]=4 33007 B13R2.3587 Cc1ccccc1OCC2CC2 7a_100000210338_100000742324 [0,1,0,1,0,0|2,0,0]=4 33008 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000210755_100000742324 [0,1,0,1,0,0|2,0,0]=4 33009 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000756562_100000210755 [0,1,0,1,0,0|2,0,0]=4 33010 B13R2.3587 Cc1cccnc1C#CC2CC2 271570a_200009880635_100000751373 [0,1,0,1,0,0|0,0,2]=4 33011 B13R2.3587 Cc1cccnc1C=CC2CC2 271570a_100102526188_100000751373 [0,1,0,1,0,0|0,0,2]=4 33012 B13R2.3587 Cc1cccnc1CNC2CC2 34a_100000212008_100000696600 [0,1,0,1,0,0|1,0,0]=3 33013 B13R2.3587 Cc1cccnc1CNC2CC2 34a_100011223789_100000211595 [0,1,0,1,0,0|1,0,0]=3 33014 B13R2.3587 Cc1cccnc1COC2CC2 34a_100000698912_100000211595 [0,1,0,1,0,0|1,0,0]=3 33015 B13R2.3587 Cc1cccnc1CSC2CC2 62a_100000696600_100000211595 [0,1,0,1,0,0|1,0,0]=3 33016 B13R2.3587 Cc1cccnc1SCC2CC2 62a_100000751373_100000742324 [0,1,0,1,0,0|1,0,0]=3 33017 B13R2.3587 Cc1cccnc1SCC2CC2 62a_100000756562_100000751373 [0,1,0,1,0,0|1,0,0]=3 33018 B13R2.3587 Cc1cccnc1SCC2CO2 62a_100000751373_102125554688 [0,1,0,1,0,0|2,0,0]=4 33019 B13R2.3587 Cc1cccnc1SCC2CO2 62a_102125554688_100000751373 [0,1,0,1,0,0|2,0,0]=4 33020 B13R2.3587 Cc1cccnc1SCC2CS2 62a_100000031435_100000751373 [0,1,0,1,0,0|2,0,0]=4 33021 B13R2.3587 Cc1cccnc1SCC2CS2 62a_100000751373_100000031435 [0,1,0,1,0,0|2,0,0]=4 33022 B13R2.3587 Cc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000751373 [0,1,0,1,0,0|2,0,0]=4 33023 B13R2.3587 Cc1cccnc1SC[C@@H]2CO2 62a_100000751373_100000745022 [0,1,0,1,0,0|2,0,0]=4 33024 B13R2.3587 Cc1ccnnc1NCC2CC2 27a_100000735609_100000089043 [0,1,0,1,0,0|2,0,0]=4 33025 B13R2.3587 Cc1ccnnc1SCC2CC2 62a_100000756562_100000089043 [0,1,0,1,0,0|2,0,0]=4 33026 B13R2.3587 Cc1cncnc1NCC2CC2 27a_100000735609_100011998708 [0,1,0,1,0,0|2,0,0]=4 33027 B13R2.3587 Cc1cncnc1SCC2CC2 62a_100000756562_100011998708 [0,1,0,1,0,0|2,0,0]=4 33028 B13R2.3587 Cc1cncnc1SCC2CC2 62a_100011998708_100000742324 [0,1,0,1,0,0|2,0,0]=4 33029 B13R2.3587 Cc1nccnc1CNC2CC2 34a_100020641712_100000211595 [0,1,0,1,0,0|2,0,0]=4 33030 B13R2.3587 Cc1nccnc1NCC2CC2 27a_100000735609_100011999405 [0,1,0,1,0,0|2,0,0]=4 33031 B13R2.3587 Cc1nccnc1OCC2CC2 34a_100000766352_100000742324 [0,1,0,1,0,0|2,0,0]=4 33032 B13R2.3587 Cc1nccnc1SCC2CC2 62a_100000756562_100011999405 [0,1,0,1,0,0|2,0,0]=4 33033 B13R2.3587 Cc1nccnc1SCC2CC2 62a_100011999405_100000742324 [0,1,0,1,0,0|2,0,0]=4 33034 B13R2.3587 Clc1ccccc1CNC2CC2 34a_100000174879_100000211595 [0,1,0,1,0,0|2,0,0]=4 33035 B13R2.3587 Clc1ccccc1CNC2CC2 34a_100000212008_100000187162 [0,1,0,1,0,0|2,0,0]=4 33036 B13R2.3587 Clc1ccccc1COC2CC2 34a_100000210847_100000211595 [0,1,0,1,0,0|2,0,0]=4 33037 B13R2.3587 Clc1ccccc1CSC2CC2 62a_100000187162_100000211595 [0,1,0,1,0,0|2,0,0]=4 33038 B13R2.3587 Clc1ccccc1NCC2CC2 34a_100000185783_100000742324 [0,1,0,1,0,0|2,0,0]=4 33039 B13R2.3587 Clc1ccccc1OCC2CC2 34a_100000210172_100000742324 [0,1,0,1,0,0|2,0,0]=4 33040 B13R2.3587 Clc1ccccc1OCC2CC2 7a_100000210172_100000742324 [0,1,0,1,0,0|2,0,0]=4 33041 B13R2.3587 Clc1ccccc1SCC2CC2 62a_100000756562_100000764095 [0,1,0,1,0,0|2,0,0]=4 33042 B13R2.3587 Clc1ccccc1SCC2CC2 62a_100000764095_100000742324 [0,1,0,1,0,0|2,0,0]=4 33043 B13R2.3587 Clc1cccnc1C#CC2CC2 271570a_200009880635_100011356963 [0,1,0,1,0,0|0,0,2]=4 33044 B13R2.3587 Clc1cccnc1C=CC2CC2 271570a_100102526188_100011356963 [0,1,0,1,0,0|0,0,2]=4 33045 B13R2.3587 Clc1cccnc1COC2CC2 34a_100012002383_100000211595 [0,1,0,1,0,0|1,0,0]=3 33046 B13R2.3587 Clc1cccnc1CSC2CC2 62a_100000099807_100000211595 [0,1,0,1,0,0|1,0,0]=3 33047 B13R2.3587 Clc1cccnc1OCC2CC2 34a_100011290957_100000742324 [0,1,0,1,0,0|1,0,0]=3 33048 B13R2.3587 Clc1cccnc1OCC2CO2 34a_100011290957_102125554688 [0,1,0,1,0,0|2,0,0]=4 33049 B13R2.3587 Clc1cccnc1SCC2CC2 62a_100000756562_100011356963 [0,1,0,1,0,0|1,0,0]=3 33050 B13R2.3587 Clc1cccnc1SCC2CC2 62a_100011356963_100000742324 [0,1,0,1,0,0|1,0,0]=3 33051 B13R2.3587 Clc1cccnc1SCC2CO2 62a_100011356963_102125554688 [0,1,0,1,0,0|2,0,0]=4 33052 B13R2.3587 Clc1cccnc1SCC2CO2 62a_102125554688_100011356963 [0,1,0,1,0,0|2,0,0]=4 33053 B13R2.3587 Clc1cccnc1SCC2CS2 62a_100000031435_100011356963 [0,1,0,1,0,0|2,0,0]=4 33054 B13R2.3587 Clc1cccnc1SCC2CS2 62a_100011356963_100000031435 [0,1,0,1,0,0|2,0,0]=4 33055 B13R2.3587 Clc1cccnc1SC[C@@H]2CO2 62a_100000745022_100011356963 [0,1,0,1,0,0|2,0,0]=4 33056 B13R2.3587 Clc1cccnc1SC[C@@H]2CO2 62a_100011356963_100000745022 [0,1,0,1,0,0|2,0,0]=4 33057 B13R2.3587 Clc1nccnc1COC2CC2 34a_100000057004_100000211595 [0,1,0,1,0,0|2,0,0]=4 33058 B13R2.3587 Clc1nccnc1SCC2CC2 62a_100000756562_100010886584 [0,1,0,1,0,0|2,0,0]=4 33059 B13R2.3587 Clc1nccnc1SCC2CC2 62a_100010886584_100000742324 [0,1,0,1,0,0|2,0,0]=4 33060 B13R2.3587 Fc1ccccc1CNC2CC2 34a_100000174869_100000211595 [0,1,0,1,0,0|2,0,0]=4 33061 B13R2.3587 Fc1ccccc1CNC2CC2 34a_100000212008_100000211605 [0,1,0,1,0,0|2,0,0]=4 33062 B13R2.3587 Fc1ccccc1COC2CC2 34a_100000211962_100000211595 [0,1,0,1,0,0|2,0,0]=4 33063 B13R2.3587 Fc1ccccc1CSC2CC2 62a_100000211605_100000211595 [0,1,0,1,0,0|2,0,0]=4 33064 B13R2.3587 Fc1ccccc1NCC2CC2 34a_100000210422_100000742324 [0,1,0,1,0,0|2,0,0]=4 33065 B13R2.3587 Fc1ccccc1OCC2CC2 34a_100000210171_100000742324 [0,1,0,1,0,0|2,0,0]=4 33066 B13R2.3587 Fc1ccccc1OCC2CC2 7a_100000210171_100000742324 [0,1,0,1,0,0|2,0,0]=4 33067 B13R2.3587 Fc1ccccc1SCC2CC2 62a_100000756562_100011215700 [0,1,0,1,0,0|2,0,0]=4 33068 B13R2.3587 Fc1ccccc1SCC2CC2 62a_100011215700_100000742324 [0,1,0,1,0,0|2,0,0]=4 33069 B13R2.3587 Fc1cccnc1C#CC2CC2 271570a_200009880635_100000685392 [0,1,0,1,0,0|0,0,2]=4 33070 B13R2.3587 Fc1cccnc1C=CC2CC2 271570a_100102526188_100000685392 [0,1,0,1,0,0|0,0,2]=4 33071 B13R2.3587 Fc1cccnc1CNC2CC2 34a_100000212008_100000104219 [0,1,0,1,0,0|1,0,0]=3 33072 B13R2.3587 Fc1cccnc1CNC2CC2 34a_100000690088_100000211595 [0,1,0,1,0,0|1,0,0]=3 33073 B13R2.3587 Fc1cccnc1COC2CC2 34a_100011934865_100000211595 [0,1,0,1,0,0|1,0,0]=3 33074 B13R2.3587 Fc1cccnc1CSC2CC2 62a_100000104219_100000211595 [0,1,0,1,0,0|1,0,0]=3 33075 B13R2.3587 Fc1cccnc1OCC2CC2 34a_100011219419_100000742324 [0,1,0,1,0,0|1,0,0]=3 33076 B13R2.3587 Fc1cccnc1OCC2CO2 34a_100011219419_102125554688 [0,1,0,1,0,0|2,0,0]=4 33077 B13R2.3587 Fc1cccnc1SCC2CC2 62a_100000685392_100000742324 [0,1,0,1,0,0|1,0,0]=3 33078 B13R2.3587 Fc1cccnc1SCC2CC2 62a_100000756562_100000685392 [0,1,0,1,0,0|1,0,0]=3 33079 B13R2.3587 Fc1cccnc1SCC2CO2 62a_100000685392_102125554688 [0,1,0,1,0,0|2,0,0]=4 33080 B13R2.3587 Fc1cccnc1SCC2CO2 62a_102125554688_100000685392 [0,1,0,1,0,0|2,0,0]=4 33081 B13R2.3587 Fc1cccnc1SCC2CS2 62a_100000031435_100000685392 [0,1,0,1,0,0|2,0,0]=4 33082 B13R2.3587 Fc1cccnc1SCC2CS2 62a_100000685392_100000031435 [0,1,0,1,0,0|2,0,0]=4 33083 B13R2.3587 Fc1cccnc1SC[C@@H]2CO2 62a_100000685392_100000745022 [0,1,0,1,0,0|2,0,0]=4 33084 B13R2.3587 Fc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000685392 [0,1,0,1,0,0|2,0,0]=4 33085 B13R2.3587 Fc1cncnc1NCC2CC2 27a_100000735609_100000069762 [0,1,0,1,0,0|2,0,0]=4 33086 B13R2.3587 Fc1cncnc1SCC2CC2 62a_100000069762_100000742324 [0,1,0,1,0,0|2,0,0]=4 33087 B13R2.3587 Fc1cncnc1SCC2CC2 62a_100000756562_100000069762 [0,1,0,1,0,0|2,0,0]=4 33088 B13R2.3587 Fc1nccnc1NCC2CC2 27a_100000735609_200010125657 [0,1,0,1,0,0|2,0,0]=4 33089 B13R2.3587 Fc1nccnc1SCC2CC2 62a_100000756562_200010125657 [0,1,0,1,0,0|2,0,0]=4 33090 B13R2.3587 Fc1nccnc1SCC2CC2 62a_200010125657_100000742324 [0,1,0,1,0,0|2,0,0]=4 33091 B13R2.3587 Ic1ccccc1CNC2CC2 34a_100000212008_100011215278 [0,1,0,1,0,0|2,0,0]=4 33092 B13R2.3587 Ic1ccccc1COC2CC2 34a_100000187465_100000211595 [0,1,0,1,0,0|2,0,0]=4 33093 B13R2.3587 Ic1ccccc1CSC2CC2 62a_100011216222_100000211595 [0,1,0,1,0,0|2,0,0]=4 33094 B13R2.3587 Ic1ccccc1NCC2CC2 34a_100000210053_100000742324 [0,1,0,1,0,0|2,0,0]=4 33095 B13R2.3587 Ic1ccccc1OCC2CC2 34a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 33096 B13R2.3587 Ic1ccccc1OCC2CC2 7a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 33097 B13R2.3587 Nc1ccccc1COC2CC2 34a_100000212039_100000211595 [0,1,0,1,0,0|2,0,0]=4 33098 B13R2.3587 Nc1ccccc1OCC2CC2 34a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 33099 B13R2.3587 Nc1ccccc1OCC2CC2 7a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 33100 B13R2.3587 Nc1ccccc1SCC2CC2 62a_100000210017_100000742324 [0,1,0,1,0,0|2,0,0]=4 33101 B13R2.3587 Nc1ccccc1SCC2CC2 62a_100000756562_100000210017 [0,1,0,1,0,0|2,0,0]=4 33102 B13R2.3587 Nc1cccnc1C#CC2CC2 271570a_200009880635_100000688686 [0,1,0,1,0,0|0,0,2]=4 33103 B13R2.3587 Nc1cccnc1C=CC2CC2 271570a_100102526188_100000688686 [0,1,0,1,0,0|0,0,2]=4 33104 B13R2.3587 Nc1cccnc1COC2CC2 34a_114873767017_100000211595 [0,1,0,1,0,0|1,0,0]=3 33105 B13R2.3587 Nc1cccnc1OCC2CC2 34a_100000746358_100000742324 [0,1,0,1,0,0|1,0,0]=3 33106 B13R2.3587 Nc1cccnc1OCC2CO2 34a_100000746358_102125554688 [0,1,0,1,0,0|2,0,0]=4 33107 B13R2.3587 Nc1cccnc1SCC2CC2 62a_100000688686_100000742324 [0,1,0,1,0,0|1,0,0]=3 33108 B13R2.3587 Nc1cccnc1SCC2CC2 62a_100000756562_100000688686 [0,1,0,1,0,0|1,0,0]=3 33109 B13R2.3587 Nc1cccnc1SCC2CO2 62a_100000688686_102125554688 [0,1,0,1,0,0|2,0,0]=4 33110 B13R2.3587 Nc1cccnc1SCC2CO2 62a_102125554688_100000688686 [0,1,0,1,0,0|2,0,0]=4 33111 B13R2.3587 Nc1cccnc1SCC2CS2 62a_100000031435_100000688686 [0,1,0,1,0,0|2,0,0]=4 33112 B13R2.3587 Nc1cccnc1SCC2CS2 62a_100000688686_100000031435 [0,1,0,1,0,0|2,0,0]=4 33113 B13R2.3587 Nc1cccnc1SC[C@@H]2CO2 62a_100000688686_100000745022 [0,1,0,1,0,0|2,0,0]=4 33114 B13R2.3587 Nc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000688686 [0,1,0,1,0,0|2,0,0]=4 33115 B13R2.3587 Nc1cncnc1NCC2CC2 27a_100000735609_100000709731 [0,1,0,1,0,0|2,0,0]=4 33116 B13R2.3587 Nc1cncnc1SCC2CC2 62a_100000709731_100000742324 [0,1,0,1,0,0|2,0,0]=4 33117 B13R2.3587 Nc1cncnc1SCC2CC2 62a_100000756562_100000709731 [0,1,0,1,0,0|2,0,0]=4 33118 B13R2.3587 Nc1nccnc1SCC2CC2 62a_100000747729_100000742324 [0,1,0,1,0,0|2,0,0]=4 33119 B13R2.3587 Nc1nccnc1SCC2CC2 62a_100000756562_100000747729 [0,1,0,1,0,0|2,0,0]=4 33120 B13R2.3587 O=c1[nH]ccnc1SCC2CC2 62a_100000756562_100000763361 [0,1,0,1,0,0|2,0,0]=4 33121 B13R2.3587 Oc1ccccc1CNC2CC2 34a_100000185550_100000211595 [0,1,0,1,0,0|2,0,0]=4 33122 B13R2.3587 Oc1ccccc1NCC2CC2 34a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 33123 B13R2.3587 Oc1ccccc1OCC2CC2 271570a_203496583355_100011316338 [0,1,0,1,0,0|2,0,0]=4 33124 B13R2.3587 Oc1ccccc1SCC2CC2 62a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 33125 B13R2.3587 Oc1ccccc1SCC2CC2 62a_100000756562_100000739446 [0,1,0,1,0,0|2,0,0]=4 33126 B13R2.3587 Oc1cccnc1C#CC2CC2 271570a_200009880635_100000034122 [0,1,0,1,0,0|0,0,2]=4 33127 B13R2.3587 Oc1cccnc1C=CC2CC2 271570a_100102526188_100000034122 [0,1,0,1,0,0|0,0,2]=4 33128 B13R2.3587 Oc1cccnc1CNC2CC2 34a_100000212008_200020655725 [0,1,0,1,0,0|1,0,0]=3 33129 B13R2.3587 Oc1cccnc1CSC2CC2 62a_200020655725_100000211595 [0,1,0,1,0,0|1,0,0]=3 33130 B13R2.3587 Oc1cccnc1OCC2CC2 271570a_203496583355_100011465199 [0,1,0,1,0,0|1,0,0]=3 33131 B13R2.3587 Oc1cccnc1SCC2CC2 62a_100000034122_100000742324 [0,1,0,1,0,0|1,0,0]=3 33132 B13R2.3587 Oc1cccnc1SCC2CC2 62a_100000756562_100000034122 [0,1,0,1,0,0|1,0,0]=3 33133 B13R2.3587 Oc1cccnc1SCC2CO2 62a_100000034122_102125554688 [0,1,0,1,0,0|2,0,0]=4 33134 B13R2.3587 Oc1cccnc1SCC2CO2 62a_102125554688_100000034122 [0,1,0,1,0,0|2,0,0]=4 33135 B13R2.3587 Oc1cccnc1SCC2CS2 62a_100000031435_100000034122 [0,1,0,1,0,0|2,0,0]=4 33136 B13R2.3587 Oc1cccnc1SCC2CS2 62a_100000034122_100000031435 [0,1,0,1,0,0|2,0,0]=4 33137 B13R2.3587 Oc1cccnc1SC[C@@H]2CO2 62a_100000034122_100000745022 [0,1,0,1,0,0|2,0,0]=4 33138 B13R2.3587 Oc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000034122 [0,1,0,1,0,0|2,0,0]=4 33139 B13R2.3587 [O-][n+]1ccccc1OCC2CC2 7a_100000211761_100000742324 [0,1,0,1,0,0|1,0,1]=4 33140 B13R2.3587 [O-][n+]1ccccc1SCC2CC2 62a_100000756562_200000042595 [0,1,0,1,0,0|1,0,1]=4 33141 B13R2.5225 Brc1ccccc1CN2CCC2 269982a_100000754969_100000184730 [0,1,0,1,0,0|2,0,0]=4 33142 B13R2.5225 Brc1ccccc1CN2CCC2 26a_100000754969_100000181306 [0,1,0,1,0,0|2,0,0]=4 33143 B13R2.5225 Brc1ccccc1NC2CCC2 34a_100000210017_100000749161 [0,1,0,1,0,0|2,0,0]=4 33144 B13R2.5225 Brc1ccccc1OC2CCC2 34a_100000181306_100000749161 [0,1,0,1,0,0|2,0,0]=4 33145 B13R2.5225 Brc1ccccc1SC2CCC2 62a_100000695589_100000749161 [0,1,0,1,0,0|2,0,0]=4 33146 B13R2.5225 Brc1cccnc1NC2CCC2 27a_100000749019_100000696092 [0,1,0,1,0,0|1,0,0]=3 33147 B13R2.5225 Brc1cccnc1NC2COC2 27a_100016991112_100000696092 [0,1,0,1,0,0|2,0,0]=4 33148 B13R2.5225 Brc1cccnc1NC2CSC2 27a_100016994217_100000696092 [0,1,0,1,0,0|2,0,0]=4 33149 B13R2.5225 Brc1cccnc1SC2CCC2 62a_100000696092_100000749161 [0,1,0,1,0,0|1,0,0]=3 33150 B13R2.5225 Brc1cccnc1SC2COC2 62a_100000696092_100009818527 [0,1,0,1,0,0|2,0,0]=4 33151 B13R2.5225 Cc1ccccc1CN2CCC2 269982a_100000754969_100000211839 [0,1,0,1,0,0|2,0,0]=4 33152 B13R2.5225 Cc1ccccc1NC2CCC2 34a_100015192222_100000749161 [0,1,0,1,0,0|2,0,0]=4 33153 B13R2.5225 Cc1ccccc1OC2CCC2 34a_100000210338_100000749161 [0,1,0,1,0,0|2,0,0]=4 33154 B13R2.5225 Cc1ccccc1SC2CCC2 62a_100000210755_100000749161 [0,1,0,1,0,0|2,0,0]=4 33155 B13R2.5225 Cc1cccnc1CN2CCC2 269982a_100000754969_100000696600 [0,1,0,1,0,0|1,0,0]=3 33156 B13R2.5225 Cc1cccnc1SC2CCC2 62a_100000751373_100000749161 [0,1,0,1,0,0|1,0,0]=3 33157 B13R2.5225 Cc1cccnc1SC2COC2 62a_100000751373_100009818527 [0,1,0,1,0,0|2,0,0]=4 33158 B13R2.5225 Cc1ccnnc1NC2CCC2 27a_100000749019_100000089043 [0,1,0,1,0,0|2,0,0]=4 33159 B13R2.5225 Cc1cncnc1NC2CCC2 27a_100000749019_100011998708 [0,1,0,1,0,0|2,0,0]=4 33160 B13R2.5225 Cc1cncnc1SC2CCC2 62a_100011998708_100000749161 [0,1,0,1,0,0|2,0,0]=4 33161 B13R2.5225 Cc1nccnc1NC2CCC2 27a_100000749019_100011999405 [0,1,0,1,0,0|2,0,0]=4 33162 B13R2.5225 Cc1nccnc1OC2CCC2 34a_100000766352_100000749161 [0,1,0,1,0,0|2,0,0]=4 33163 B13R2.5225 Cc1nccnc1SC2CCC2 62a_100011999405_100000749161 [0,1,0,1,0,0|2,0,0]=4 33164 B13R2.5225 Clc1ccccc1CN2CCC2 269982a_100000754969_100000187162 [0,1,0,1,0,0|2,0,0]=4 33165 B13R2.5225 Clc1ccccc1CN2CCC2 26a_100000754969_100000210172 [0,1,0,1,0,0|2,0,0]=4 33166 B13R2.5225 Clc1ccccc1NC2CCC2 34a_100000185783_100000749161 [0,1,0,1,0,0|2,0,0]=4 33167 B13R2.5225 Clc1ccccc1OC2CCC2 34a_100000210172_100000749161 [0,1,0,1,0,0|2,0,0]=4 33168 B13R2.5225 Clc1ccccc1SC2CCC2 62a_100000764095_100000749161 [0,1,0,1,0,0|2,0,0]=4 33169 B13R2.5225 Clc1cccnc1CN2CCC2 269982a_100000754969_100000099807 [0,1,0,1,0,0|1,0,0]=3 33170 B13R2.5225 Clc1cccnc1OC2CCC2 34a_100011290957_100000749161 [0,1,0,1,0,0|1,0,0]=3 33171 B13R2.5225 Clc1cccnc1OC2COC2 34a_100011290957_100009818527 [0,1,0,1,0,0|2,0,0]=4 33172 B13R2.5225 Clc1cccnc1SC2CCC2 62a_100011356963_100000749161 [0,1,0,1,0,0|1,0,0]=3 33173 B13R2.5225 Clc1cccnc1SC2COC2 62a_100011356963_100009818527 [0,1,0,1,0,0|2,0,0]=4 33174 B13R2.5225 Clc1nccnc1SC2CCC2 62a_100010886584_100000749161 [0,1,0,1,0,0|2,0,0]=4 33175 B13R2.5225 Fc1ccccc1CN2CCC2 269982a_100000754969_100000211605 [0,1,0,1,0,0|2,0,0]=4 33176 B13R2.5225 Fc1ccccc1NC2CCC2 34a_100000210422_100000749161 [0,1,0,1,0,0|2,0,0]=4 33177 B13R2.5225 Fc1ccccc1OC2CCC2 34a_100000210171_100000749161 [0,1,0,1,0,0|2,0,0]=4 33178 B13R2.5225 Fc1ccccc1SC2CCC2 62a_100011215700_100000749161 [0,1,0,1,0,0|2,0,0]=4 33179 B13R2.5225 Fc1cccnc1CN2CCC2 269982a_100000754969_100000104219 [0,1,0,1,0,0|1,0,0]=3 33180 B13R2.5225 Fc1cccnc1OC2CCC2 34a_100011219419_100000749161 [0,1,0,1,0,0|1,0,0]=3 33181 B13R2.5225 Fc1cccnc1OC2COC2 34a_100011219419_100009818527 [0,1,0,1,0,0|2,0,0]=4 33182 B13R2.5225 Fc1cccnc1SC2CCC2 62a_100000685392_100000749161 [0,1,0,1,0,0|1,0,0]=3 33183 B13R2.5225 Fc1cccnc1SC2COC2 62a_100000685392_100009818527 [0,1,0,1,0,0|2,0,0]=4 33184 B13R2.5225 Fc1cncnc1NC2CCC2 27a_100000749019_100000069762 [0,1,0,1,0,0|2,0,0]=4 33185 B13R2.5225 Fc1cncnc1SC2CCC2 62a_100000069762_100000749161 [0,1,0,1,0,0|2,0,0]=4 33186 B13R2.5225 Fc1nccnc1NC2CCC2 27a_100000749019_200010125657 [0,1,0,1,0,0|2,0,0]=4 33187 B13R2.5225 Fc1nccnc1SC2CCC2 62a_200010125657_100000749161 [0,1,0,1,0,0|2,0,0]=4 33188 B13R2.5225 Ic1ccccc1CN2CCC2 269982a_100000754969_100011215278 [0,1,0,1,0,0|2,0,0]=4 33189 B13R2.5225 Ic1ccccc1NC2CCC2 34a_100000210053_100000749161 [0,1,0,1,0,0|2,0,0]=4 33190 B13R2.5225 Ic1ccccc1OC2CCC2 34a_100000739446_100000749161 [0,1,0,1,0,0|2,0,0]=4 33191 B13R2.5225 Nc1ccccc1OC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|2,0,0]=4 33192 B13R2.5225 Nc1ccccc1SC2CCC2 62a_100000210017_100000749161 [0,1,0,1,0,0|2,0,0]=4 33193 B13R2.5225 Nc1cccnc1OC2CCC2 34a_100000746358_100000749161 [0,1,0,1,0,0|1,0,0]=3 33194 B13R2.5225 Nc1cccnc1OC2COC2 34a_100000746358_100009818527 [0,1,0,1,0,0|2,0,0]=4 33195 B13R2.5225 Nc1cccnc1SC2CCC2 62a_100000688686_100000749161 [0,1,0,1,0,0|1,0,0]=3 33196 B13R2.5225 Nc1cccnc1SC2COC2 62a_100000688686_100009818527 [0,1,0,1,0,0|2,0,0]=4 33197 B13R2.5225 Nc1cncnc1NC2CCC2 27a_100000749019_100000709731 [0,1,0,1,0,0|2,0,0]=4 33198 B13R2.5225 Nc1cncnc1SC2CCC2 62a_100000709731_100000749161 [0,1,0,1,0,0|2,0,0]=4 33199 B13R2.5225 Nc1nccnc1SC2CCC2 62a_100000747729_100000749161 [0,1,0,1,0,0|2,0,0]=4 33200 B13R2.5225 Oc1ccccc1NC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|2,0,0]=4 33201 B13R2.5225 Oc1ccccc1SC2CCC2 62a_100000739446_100000749161 [0,1,0,1,0,0|2,0,0]=4 33202 B13R2.5225 Oc1cccnc1SC2CCC2 62a_100000034122_100000749161 [0,1,0,1,0,0|1,0,0]=3 33203 B13R2.5225 Oc1cccnc1SC2COC2 62a_100000034122_100009818527 [0,1,0,1,0,0|2,0,0]=4 33204 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,0,0,0,1,0|1,0,0]=3 33205 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [1,0,0,0,1,0|1,0,0]=3 33206 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,1,0|1,0,0]=3 33207 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,1,0|1,0,0]=3 33208 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,1,0|1,0,0]=3 33209 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,1,0|1,0,0]=3 33210 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [1,0,0,0,1,0|1,0,0]=3 33211 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [1,0,0,0,1,0|2,0,0]=4 33212 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,1,0|2,0,0]=4 33213 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,0,0,0,1,0|2,0,0]=4 33214 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [1,0,0,0,1,0|2,0,0]=4 33215 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [1,0,0,0,1,0|2,0,0]=4 33216 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,0,0,0,1,0|1,0,0]=3 33217 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [1,0,0,0,1,0|2,0,0]=4 33218 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,0,0,0,1,0|1,0,0]=3 33219 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,1,0|1,0,0]=3 33220 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,0,0,0,1,0|1,0,0]=3 33221 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [1,0,0,0,1,0|2,0,0]=4 33222 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [1,0,0,0,1,0|2,0,0]=4 33223 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [1,0,0,0,1,0|2,0,0]=4 33224 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [1,0,0,0,1,0|2,0,0]=4 33225 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [1,0,0,0,1,0|2,0,0]=4 33226 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [1,0,0,0,1,0|2,0,0]=4 33227 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [1,0,0,0,1,0|2,0,0]=4 33228 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [1,0,0,0,1,0|2,0,0]=4 33229 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,1,0|2,0,0]=4 33230 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,1,0|2,0,0]=4 33231 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,0,0,0,1,0|2,0,0]=4 33232 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,0,0,0,1,0|2,0,0]=4 33233 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [1,0,0,0,1,0|2,0,0]=4 33234 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [1,0,0,0,1,0|2,0,0]=4 33235 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [1,0,0,0,1,0|2,0,0]=4 33236 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [1,0,0,0,1,0|2,0,0]=4 33237 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [1,0,0,0,1,0|2,0,0]=4 33238 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [1,0,0,0,1,0|2,0,0]=4 33239 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [1,0,0,0,1,0|2,0,0]=4 33240 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [1,0,0,0,1,0|2,0,0]=4 33241 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [1,0,0,0,1,0|2,0,0]=4 33242 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [1,0,0,0,1,0|2,0,0]=4 33243 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [1,0,0,0,1,0|2,0,0]=4 33244 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [1,0,0,0,1,0|2,0,0]=4 33245 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [1,0,0,0,1,0|2,0,0]=4 33246 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [1,0,0,0,1,0|2,0,0]=4 33247 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [1,0,0,0,1,0|2,0,0]=4 33248 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [1,0,0,0,1,0|2,0,0]=4 33249 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [1,0,0,0,1,0|2,0,0]=4 33250 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [1,0,0,0,1,0|2,0,0]=4 33251 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [1,0,0,0,1,0|2,0,0]=4 33252 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,1,0|2,0,0]=4 33253 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,1,0|2,0,0]=4 33254 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,1,0|2,0,0]=4 33255 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,1,0|2,0,0]=4 33256 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,0,0,0,1,0|2,0,0]=4 33257 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,0,0,0,1,0|2,0,0]=4 33258 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,0,0,0,1,0|2,0,0]=4 33259 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [1,0,0,0,1,0|2,0,0]=4 33260 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [1,0,0,0,1,0|2,0,0]=4 33261 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [1,0,0,0,1,0|2,0,0]=4 33262 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [1,0,0,0,1,0|2,0,0]=4 33263 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [1,0,0,0,1,0|2,0,0]=4 33264 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [1,0,0,0,1,0|2,0,0]=4 33265 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [1,0,0,0,1,0|2,0,0]=4 33266 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [1,0,0,0,1,0|2,0,0]=4 33267 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [1,0,0,0,1,0|2,0,0]=4 33268 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [1,0,0,0,1,0|2,0,0]=4 33269 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [1,0,0,0,1,0|2,0,0]=4 33270 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [1,0,0,0,1,0|2,0,0]=4 33271 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [1,0,0,0,1,0|2,0,0]=4 33272 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [1,0,0,0,1,0|2,0,0]=4 33273 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [1,0,0,0,1,0|2,0,0]=4 33274 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [1,0,0,0,1,0|2,0,0]=4 33275 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [1,0,0,0,1,0|2,0,0]=4 33276 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,0,0,0,1,0|2,0,0]=4 33277 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,0,0,0,1,0|2,0,0]=4 33278 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,0,0,0,1,0|2,0,0]=4 33279 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [1,0,0,0,1,0|2,0,0]=4 33280 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [1,0,0,0,1,0|2,0,0]=4 33281 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [1,0,0,0,1,0|2,0,0]=4 33282 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [1,0,0,0,1,0|2,0,0]=4 33283 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [1,0,0,0,1,0|2,0,0]=4 33284 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,1,0|2,0,0]=4 33285 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,1,0|2,0,0]=4 33286 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [1,0,0,0,1,0|2,0,0]=4 33287 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [1,0,0,0,1,0|2,0,0]=4 33288 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [1,0,0,0,1,0|2,0,0]=4 33289 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [1,0,0,0,1,0|2,0,0]=4 33290 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [1,0,0,0,1,0|2,0,0]=4 33291 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [1,0,0,0,1,0|2,0,0]=4 33292 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,0,0,0,1,0|2,0,0]=4 33293 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,0,0,0,1,0|2,0,0]=4 33294 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [1,0,0,0,1,0|2,0,0]=4 33295 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [1,0,0,0,1,0|2,0,0]=4 33296 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [1,0,0,0,1,0|2,0,0]=4 33297 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [1,0,0,0,1,0|2,0,0]=4 33298 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [1,0,0,0,1,0|2,0,0]=4 33299 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [1,0,0,0,1,0|2,0,0]=4 33300 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [1,0,0,0,1,0|2,0,0]=4 33301 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [1,0,0,0,1,0|2,0,0]=4 33302 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [1,0,0,0,1,0|2,0,0]=4 33303 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [1,0,0,0,1,0|2,0,0]=4 33304 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [1,0,0,0,1,0|2,0,0]=4 33305 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [1,0,0,0,1,0|2,0,0]=4 33306 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,0,0,0,1,0|2,0,0]=4 33307 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,0,0,0,1,0|2,0,0]=4 33308 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [1,0,0,0,1,0|2,0,0]=4 33309 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [1,0,0,0,1,0|2,0,0]=4 33310 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [1,0,0,0,1,0|2,0,0]=4 33311 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [1,0,0,0,1,0|2,0,0]=4 33312 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,1,0|2,0,0]=4 33313 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,1,0|2,0,0]=4 33314 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,1,0|2,0,0]=4 33315 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,1,0|2,0,0]=4 33316 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,1,0|2,0,0]=4 33317 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,1,0|2,0,0]=4 33318 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,1,0|2,0,0]=4 33319 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [1,0,0,0,1,0|2,0,0]=4 33320 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [1,0,0,0,1,0|2,0,0]=4 33321 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [1,0,0,0,1,0|2,0,0]=4 33322 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [1,0,0,0,1,0|2,0,0]=4 33323 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [1,0,0,0,1,0|2,0,0]=4 33324 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [1,0,0,0,1,0|2,0,0]=4 33325 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [1,0,0,0,1,0|2,0,0]=4 33326 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [1,0,0,0,1,0|2,0,0]=4 33327 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [1,0,0,0,1,0|2,0,0]=4 33328 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [1,0,0,0,1,0|2,0,0]=4 33329 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 33330 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,1,0|2,0,0]=4 33331 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 33332 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,1,0|2,0,0]=4 33333 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [1,0,0,0,1,0|2,0,0]=4 33334 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,1,0|2,0,0]=4 33335 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [1,0,0,0,1,0|2,0,0]=4 33336 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [1,0,0,0,1,0|2,0,0]=4 33337 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [1,0,0,0,1,0|2,0,0]=4 33338 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [1,0,0,0,1,0|2,0,0]=4 33339 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,1,0|2,0,0]=4 33340 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,1,0|2,0,0]=4 33341 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [1,0,0,0,1,0|2,0,0]=4 33342 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [1,0,0,0,1,0|2,0,0]=4 33343 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [1,0,0,0,1,0|2,0,0]=4 33344 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [1,0,0,0,1,0|2,0,0]=4 33345 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,1,0|2,0,0]=4 33346 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,1,0|2,0,0]=4 33347 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,1,0|2,0,0]=4 33348 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,1,0|2,0,0]=4 33349 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [1,0,0,0,1,0|2,0,0]=4 33350 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [1,0,0,0,1,0|2,0,0]=4 33351 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [1,0,0,0,1,0|2,0,0]=4 33352 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [1,0,0,0,1,0|2,0,0]=4 33353 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [1,0,0,0,1,0|2,0,0]=4 33354 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 33355 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 33356 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,1,0|2,0,0]=4 33357 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [1,0,0,0,1,0|2,0,0]=4 33358 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,1,0|2,0,0]=4 33359 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [1,0,0,0,1,0|2,0,0]=4 33360 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [1,0,0,0,1,0|2,0,0]=4 33361 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [1,0,0,0,1,0|2,0,0]=4 33362 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,1,0|2,0,0]=4 33363 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,1,0|2,0,0]=4 33364 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [1,0,0,0,1,0|2,0,0]=4 33365 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [1,0,0,0,1,0|2,0,0]=4 33366 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [1,0,0,0,1,0|2,0,0]=4 33367 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [1,0,0,0,1,0|2,0,0]=4