0 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,0|0,0,4]=4 20 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,0|0,0,4]=4 21 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,0|0,0,2]=2 22 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,0|0,0,2]=2 23 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,0|1,0,2]=3 24 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,0|1,0,2]=3 25 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,0|1,0,2]=3 26 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,0|1,0,2]=3 27 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,0|1,0,2]=3 28 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,0|1,0,2]=3 29 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,0|1,0,2]=3 30 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,0|1,0,2]=3 33 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,0|2,0,2]=4 35 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,0|1,0,2]=3 36 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,0|1,0,2]=3 37 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,0|1,0,2]=3 38 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,0|1,0,2]=3 39 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,0|2,0,2]=4 41 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,0|2,0,2]=4 42 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,0|2,0,2]=4 45 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,0|2,0,2]=4 47 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,0|2,0,2]=4 48 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,0|2,0,2]=4 49 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,0|2,0,2]=4 50 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,0|2,0,2]=4 51 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,0,0,0,0,0|1,0,2]=3 52 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [0,0,0,0,0,0|2,0,2]=4 53 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [0,0,0,0,0,0|2,0,2]=4 54 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [0,0,0,0,0,0|2,0,2]=4 55 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.91 CC(C)CNc1cccnn1 27a_100000210953_100016991348 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.91 CC(C)CNc1ccncn1 27a_100000210953_100000703185 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.91 CC(C)CNc1cnccn1 27a_100000210953_100000211759 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.91 CC(C)CNc1ncccn1 27a_100000210953_100000211032 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,0,0,0,0,0|2,0,0]=2 62 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.91 CC(C)COc1ccnnc1 34a_100015204005_100000210624 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.91 CC(C)COc1cncnc1 7a_100000754086_100000210760 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,0,0,0,0,0|2,0,0]=2 68 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.91 CC(C)CSc1cccnn1 62a_100000210624_100016991348 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.91 CC(C)CSc1cccnn1 62a_100016991348_100000210760 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.91 CC(C)CSc1ccncn1 62a_100000210624_100000703185 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.91 CC(C)CSc1ccncn1 62a_100000703185_100000210760 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.91 CC(C)CSc1ccnnc1 62a_100000210624_100000732662 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.91 CC(C)CSc1ccnnc1 62a_100000732662_100000210760 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.91 CC(C)CSc1cnccn1 62a_100000210624_100000211759 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.91 CC(C)CSc1cnccn1 62a_100000211759_100000210760 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.91 CC(C)CSc1cncnc1 62a_100000210624_100011206942 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.91 CC(C)CSc1cncnc1 62a_100011206942_100000210760 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.91 CC(C)CSc1ncccn1 62a_100000210624_100000211032 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.91 CC(C)CSc1ncccn1 62a_100000211032_100000210760 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,0,0,0,0,0|3,0,0]=3 95 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [0,0,0,0,0,0|3,0,0]=3 96 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [0,0,0,0,0,0|3,0,0]=3 97 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.91 CC(C)NCc1cccnn1 2230a_100138425928_100016990269 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.91 CC(C)NCc1cccnn1 2230a_100159270163_100000210206 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.91 CC(C)NCc1cccnn1 34a_100138425928_100016990269 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.91 CC(C)NCc1cncnc1 2230a_100011243677_100000210206 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.91 CC(C)NCc1cncnc1 2230a_100138425928_100015196519 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.91 CC(C)NCc1cncnc1 34a_100138425928_100015196519 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.91 CC(C)NCc1ncccn1 2230a_100138425928_100000703007 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.91 CC(C)NCc1ncccn1 34a_100138425928_100000703007 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,0,0,0,0,0|2,0,0]=2 111 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,0,0,0,0,0|2,0,0]=2 112 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,0,0,0,0,0|2,0,0]=2 113 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,0,0,0,0,0|4,0,0]=4 117 B11R1.91 CC(C)OCc1cncnc1 34a_100000212225_100015196519 [0,0,0,0,0,0|4,0,0]=4 118 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,0,0,0,0,0|2,0,0]=2 120 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,0,0,0,0,0|2,0,0]=2 121 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.91 CC(C)SCc1cccnn1 62a_100000210206_100016990269 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.91 CC(C)SCc1cccnn1 62a_100016990269_100000210206 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [0,0,0,0,0,0|3,0,0]=3 128 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [0,0,0,0,0,0|4,0,0]=4 130 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.91 CC(C)SCc1cncnc1 62a_100000210206_100015196519 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.91 CC(C)SCc1cncnc1 62a_100015196519_100000210206 [0,0,0,0,0,0|4,0,0]=4 133 B11R1.91 CC(C)SCc1ncccn1 62a_100000210206_100000703007 [0,0,0,0,0,0|4,0,0]=4 134 B11R1.91 CC(C)SCc1ncccn1 62a_100000703007_100000210206 [0,0,0,0,0,0|4,0,0]=4 135 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,0|0,0,2]=2 136 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,0,0,0,0,0|1,0,2]=3 137 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [0,0,0,0,0,0|1,0,2]=3 138 B11R1.91 CC(O)C=Cc1cccnn1 271570a_200011019289_100016991348 [0,0,0,0,0,0|2,0,2]=4 139 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [0,0,0,0,0,0|1,0,2]=3 140 B11R1.91 CC(O)C=Cc1ccncn1 271570a_200011019289_100000703185 [0,0,0,0,0,0|2,0,2]=4 141 B11R1.91 CC(O)C=Cc1ccnnc1 271570a_200011019289_100000732662 [0,0,0,0,0,0|2,0,2]=4 142 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [0,0,0,0,0,0|2,0,2]=4 143 B11R1.91 CC(O)C=Cc1cncnc1 271570a_200011019289_100011206942 [0,0,0,0,0,0|2,0,2]=4 144 B11R1.91 CC(O)C=Cc1ncccn1 271570a_200011019289_100000211032 [0,0,0,0,0,0|2,0,2]=4 145 B11R1.91 CC(O)CCN1CC=CCC1 2230a_100000698166_100012276601 [0,0,0,0,0,0|1,0,3]=4 146 B11R1.91 CC(O)CCN1CC=CCC1 269982a_100000698166_100012276601 [0,0,0,0,0,0|1,0,3]=4 147 B11R1.91 CC(O)CCN1CC=CCC1 34a_100000698166_100012276601 [0,0,0,0,0,0|1,0,3]=4 148 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,0|1,0,0]=1 149 B11R1.91 CC(O)CNc1cccnn1 27a_100000210904_100016991348 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.91 CC(O)CNc1ccncn1 27a_100000210904_100000703185 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.91 CC(O)CNc1ncccn1 27a_100000210904_100000211032 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,0|1,0,0]=1 154 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,0|1,0,0]=1 155 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,0,0,0,0,0|2,0,0]=2 156 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,0,0,0,0,0|2,0,0]=2 157 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,0,0,0,0,0|2,0,0]=2 158 B11R1.91 CC(O)COc1ccnnc1 34a_100015204005_100011218427 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.91 CC(O)COc1cncnc1 7a_100000754086_100011218427 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,0|1,0,0]=1 161 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,0|1,0,0]=1 162 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,0,0,0,0,0|2,0,0]=2 163 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,0,0,0,0,0|2,0,0]=2 164 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [0,0,0,0,0,0|2,0,0]=2 165 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [0,0,0,0,0,0|2,0,0]=2 166 B11R1.91 CC(O)CSc1cccnn1 62a_100011218427_100016991348 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.91 CC(O)CSc1cccnn1 62a_100016991348_100011218427 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [0,0,0,0,0,0|2,0,0]=2 169 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [0,0,0,0,0,0|2,0,0]=2 170 B11R1.91 CC(O)CSc1ccncn1 62a_100000703185_100011218427 [0,0,0,0,0,0|3,0,0]=3 171 B11R1.91 CC(O)CSc1ccncn1 62a_100011218427_100000703185 [0,0,0,0,0,0|3,0,0]=3 172 B11R1.91 CC(O)CSc1ccnnc1 62a_100000732662_100011218427 [0,0,0,0,0,0|3,0,0]=3 173 B11R1.91 CC(O)CSc1ccnnc1 62a_100011218427_100000732662 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.91 CC(O)CSc1cncnc1 62a_100011206942_100011218427 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.91 CC(O)CSc1cncnc1 62a_100011218427_100011206942 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.91 CC(O)CSc1cnnnc1 62a_100009846058_100011218427 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.91 CC(O)CSc1cnnnc1 62a_100011218427_100009846058 [0,0,0,0,0,0|4,0,0]=4 180 B11R1.91 CC(O)CSc1ncccn1 62a_100000211032_100011218427 [0,0,0,0,0,0|3,0,0]=3 181 B11R1.91 CC(O)CSc1ncccn1 62a_100011218427_100000211032 [0,0,0,0,0,0|3,0,0]=3 182 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,0,0|2,0,0]=2 183 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,0,0|2,0,0]=2 184 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,0,0|2,0,0]=2 185 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,0,0|2,0,0]=2 186 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,0,0,0,0,0|3,0,0]=3 187 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,0,0,0,0,0|3,0,0]=3 188 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,0,0,0,0,0|3,0,0]=3 189 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,0,0,0,0,0|3,0,0]=3 190 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,0,0,0,0,0|3,0,0]=3 191 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,0,0,0,0,0|3,0,0]=3 192 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,0,0,0,0,0|3,0,0]=3 193 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,0,0,0,0,0|3,0,0]=3 194 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [0,0,0,0,0,0|3,0,0]=3 195 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [0,0,0,0,0,0|3,0,0]=3 196 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [0,0,0,0,0,0|3,0,0]=3 197 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [0,0,0,0,0,0|3,0,0]=3 198 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,0,0,0,0,0|3,0,0]=3 199 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,0,0,0,0,0|3,0,0]=3 200 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,0,0|2,0,0]=2 201 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,0,0|2,0,0]=2 202 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,0,0,0,0,0|3,0,0]=3 203 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,0,0,0,0,0|3,0,0]=3 204 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,0,0,0,0,0|3,0,0]=3 205 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,0,0,0,0,0|3,0,0]=3 206 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [0,0,0,0,0,0|3,0,0]=3 207 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [0,0,0,0,0,0|3,0,0]=3 208 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,0|1,0,0]=1 209 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,0|1,0,0]=1 210 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,0|1,0,0]=1 211 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,0,0,0,0,0|2,0,0]=2 212 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,0,0,0,0,0|2,0,0]=2 213 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,0,0,0,0,0|2,0,0]=2 214 B11R1.91 C[C@@H](O)COc1ccnnc1 34a_100015204005_100009817552 [0,0,0,0,0,0|3,0,0]=3 215 B11R1.91 C[C@@H](O)COc1cncnc1 7a_100000754086_100009817552 [0,0,0,0,0,0|3,0,0]=3 216 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,0|1,0,0]=1 217 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,0|1,0,0]=1 218 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,0,0,0,0,0|2,0,0]=2 219 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,0,0,0,0,0|2,0,0]=2 220 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [0,0,0,0,0,0|2,0,0]=2 221 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [0,0,0,0,0,0|2,0,0]=2 222 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100009817552_100016991348 [0,0,0,0,0,0|3,0,0]=3 223 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100016991348_100009817552 [0,0,0,0,0,0|3,0,0]=3 224 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [0,0,0,0,0,0|2,0,0]=2 225 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [0,0,0,0,0,0|2,0,0]=2 226 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100000703185_100009817552 [0,0,0,0,0,0|3,0,0]=3 227 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100009817552_100000703185 [0,0,0,0,0,0|3,0,0]=3 228 B11R1.91 C[C@@H](O)CSc1ccnnc1 62a_100000732662_100009817552 [0,0,0,0,0,0|3,0,0]=3 229 B11R1.91 C[C@@H](O)CSc1ccnnc1 62a_100009817552_100000732662 [0,0,0,0,0,0|3,0,0]=3 230 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,0,0,0,0,0|3,0,0]=3 232 B11R1.91 C[C@@H](O)CSc1cncnc1 62a_100009817552_100011206942 [0,0,0,0,0,0|3,0,0]=3 233 B11R1.91 C[C@@H](O)CSc1cncnc1 62a_100011206942_100009817552 [0,0,0,0,0,0|3,0,0]=3 234 B11R1.91 C[C@@H](O)CSc1cnnnc1 62a_100009817552_100009846058 [0,0,0,0,0,0|4,0,0]=4 235 B11R1.91 C[C@@H](O)CSc1cnnnc1 62a_100009846058_100009817552 [0,0,0,0,0,0|4,0,0]=4 236 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100000211032_100009817552 [0,0,0,0,0,0|3,0,0]=3 237 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100009817552_100000211032 [0,0,0,0,0,0|3,0,0]=3 238 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,0,0,0,0,0|3,0,0]=3 239 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,0,0,0,0,0|3,0,0]=3 240 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,0,0,0,0,0|3,0,0]=3 241 B11R1.91 FC(F)COc1cccnc1 34a_100000210849_100011934356 [0,0,0,0,0,0|4,0,0]=4 242 B11R1.91 FC(F)COc1cccnc1 7a_100000210849_100011934356 [0,0,0,0,0,0|4,0,0]=4 243 B11R1.91 FC(F)COc1ccncc1 34a_100000212176_100011934356 [0,0,0,0,0,0|4,0,0]=4 244 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,0,0,0,0,0|3,0,0]=3 245 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,0,0,0,0,0|3,0,0]=3 246 B11R1.91 FC(F)CSc1ccccn1 62a_100011216584_100011934356 [0,0,0,0,0,0|4,0,0]=4 247 B11R1.91 FC(F)CSc1ccccn1 62a_100011934356_100011216584 [0,0,0,0,0,0|4,0,0]=4 248 B11R1.91 FC(F)CSc1cccnc1 62a_100000210063_100011934356 [0,0,0,0,0,0|4,0,0]=4 249 B11R1.91 FC(F)CSc1cccnc1 62a_100011934356_100000210063 [0,0,0,0,0,0|4,0,0]=4 250 B11R1.91 FC(F)CSc1ccncc1 62a_100000728582_100011934356 [0,0,0,0,0,0|4,0,0]=4 251 B11R1.91 FC(F)CSc1ccncc1 62a_100011934356_100000728582 [0,0,0,0,0,0|4,0,0]=4 252 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,0|2,0,2]=4 253 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,0|2,0,2]=4 254 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,0|2,0,2]=4 255 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,0|2,0,2]=4 256 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,0|2,0,2]=4 257 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,0|2,0,2]=4 258 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,0|2,0,2]=4 259 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,0|2,0,2]=4 260 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,0|2,0,2]=4 261 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,0|3,0,1]=4 262 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,0|3,0,1]=4 263 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,0|3,0,1]=4 264 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,0|0,0,4]=4 265 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,0|0,0,4]=4 266 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,0|0,0,2]=2 267 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,0|1,0,2]=3 268 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,0|1,0,2]=3 269 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,0|1,0,2]=3 270 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,0|1,0,2]=3 271 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,0|2,0,2]=4 272 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,0|2,0,2]=4 273 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,0|1,0,2]=3 274 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,0|2,0,2]=4 275 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,0|2,0,2]=4 276 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|1,0,2]=4 277 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|1,0,2]=4 278 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|1,0,2]=4 279 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|1,0,2]=4 280 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|1,0,2]=4 281 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|1,0,2]=4 282 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|1,0,2]=4 283 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|1,0,2]=4 284 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|1,0,2]=4 285 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|2,0,1]=4 286 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|0,0,0]=1 287 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|1,0,0]=2 288 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|1,0,0]=2 289 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|1,0,0]=2 291 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,0|2,0,0]=3 292 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,0,0,0,0|2,0,0]=3 293 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,0|2,0,0]=3 294 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.17 CCCCc1cnnnc1 271570a_100020621405_100009846058 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|1,0,0]=2 298 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|1,0,0]=2 299 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|1,0,0]=2 300 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|1,0,0]=2 306 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|1,0,0]=2 307 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|2,0,0]=3 314 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|1,0,0]=2 326 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|1,0,0]=2 327 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|1,0,0]=2 328 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|1,0,0]=2 329 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|1,0,0]=2 330 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|2,0,0]=3 331 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|2,0,0]=3 332 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|2,0,0]=3 333 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|2,0,0]=3 334 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|2,0,0]=3 335 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|2,0,0]=3 336 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|2,0,0]=3 339 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|2,0,0]=3 340 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|1,0,0]=2 349 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|1,0,0]=2 350 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|1,0,0]=2 351 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|2,0,0]=3 352 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|2,0,0]=3 353 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|1,0,0]=2 358 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|1,0,0]=2 359 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|2,0,0]=3 360 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|2,0,0]=3 361 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|2,0,0]=3 362 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|2,0,0]=3 363 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|2,0,0]=3 366 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|2,0,0]=3 367 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [1,0,0,0,0,0|3,0,0]=4 372 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|1,0,0]=2 374 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|1,0,0]=2 375 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|1,0,0]=2 376 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|1,0,0]=2 377 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|1,0,0]=2 378 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|2,0,0]=3 380 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|2,0,0]=3 381 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|2,0,0]=3 382 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|2,0,0]=3 383 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|2,0,0]=3 384 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|2,0,0]=3 386 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 387 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|1,0,0]=2 388 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 389 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|2,0,0]=3 390 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|2,0,0]=3 391 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|2,0,0]=3 392 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|2,0,0]=3 395 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|2,0,0]=3 396 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,0,0,0,0,0|3,0,0]=4 397 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,0,0,0,0,0|3,0,0]=4 399 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,0,0,0,0,0|3,0,0]=4 400 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [1,0,0,0,0,0|3,0,0]=4 401 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [1,0,0,0,0,0|3,0,0]=4 402 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|1,0,0]=2 403 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|1,0,0]=2 404 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|2,0,0]=3 405 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|2,0,0]=3 406 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|2,0,0]=3 407 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|2,0,0]=3 408 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|2,0,0]=3 409 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|2,0,0]=3 410 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|2,0,0]=3 411 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|2,0,0]=3 412 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [1,0,0,0,0,0|3,0,0]=4 414 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|2,0,0]=3 415 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|2,0,0]=3 416 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|2,0,0]=3 417 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|2,0,0]=3 418 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [1,0,0,0,0,0|3,0,0]=4 419 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [1,0,0,0,0,0|3,0,0]=4 421 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [1,0,0,0,0,0|3,0,0]=4 423 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [1,0,0,0,0,0|3,0,0]=4 424 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|2,0,0]=3 425 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|2,0,0]=3 426 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|2,0,0]=3 427 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,0,0,0,0,0|3,0,0]=4 429 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [1,0,0,0,0,0|3,0,0]=4 430 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|2,0,0]=3 431 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|2,0,0]=3 432 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [1,0,0,0,0,0|3,0,0]=4 435 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [1,0,0,0,0,0|3,0,0]=4 436 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [1,0,0,0,0,0|3,0,0]=4 437 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [1,0,0,0,0,0|3,0,0]=4 438 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|2,0,0]=3 439 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|2,0,0]=3 440 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|2,0,0]=3 441 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|2,0,0]=3 442 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|2,0,0]=3 443 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [1,0,0,0,0,0|3,0,0]=4 444 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [1,0,0,0,0,0|3,0,0]=4 447 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [1,0,0,0,0,0|3,0,0]=4 449 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|2,0,1]=4 450 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|2,0,1]=4 451 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|2,0,1]=4 452 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|1,0,2]=4 453 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|1,0,2]=4 454 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|1,0,2]=4 455 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|1,0,2]=4 456 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|1,0,2]=4 457 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|1,0,0]=2 458 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [1,0,0,0,0,0|3,0,0]=4 459 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [1,0,0,0,0,0|3,0,0]=4 460 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [1,0,0,0,0,0|3,0,0]=4 461 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [1,0,0,0,0,0|3,0,0]=4 462 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|1,0,0]=2 463 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|1,0,0]=2 464 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,0,0,0,0,0|2,0,0]=3 465 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,0,0,0,0,0|2,0,0]=3 466 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [1,0,0,0,0,0|2,0,0]=3 467 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [1,0,0,0,0,0|3,0,0]=4 468 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [1,0,0,0,0,0|3,0,0]=4 469 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|1,0,0]=2 470 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|1,0,0]=2 471 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,0,0,0,0,0|2,0,0]=3 472 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,0,0,0,0,0|2,0,0]=3 473 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,0,0,0,0,0|2,0,0]=3 474 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,0,0,0,0,0|2,0,0]=3 475 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [1,0,0,0,0,0|3,0,0]=4 476 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [1,0,0,0,0,0|3,0,0]=4 477 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [1,0,0,0,0,0|2,0,0]=3 478 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [1,0,0,0,0,0|2,0,0]=3 479 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [1,0,0,0,0,0|3,0,0]=4 480 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [1,0,0,0,0,0|3,0,0]=4 481 B10R1.17 OCCSc1ccnnc1 62a_100000211926_100000732662 [1,0,0,0,0,0|3,0,0]=4 482 B10R1.17 OCCSc1ccnnc1 62a_100000732662_100000211926 [1,0,0,0,0,0|3,0,0]=4 483 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [1,0,0,0,0,0|3,0,0]=4 484 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [1,0,0,0,0,0|3,0,0]=4 485 B10R1.17 OCCSc1cncnc1 62a_100000211926_100011206942 [1,0,0,0,0,0|3,0,0]=4 486 B10R1.17 OCCSc1cncnc1 62a_100011206942_100000211926 [1,0,0,0,0,0|3,0,0]=4 487 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [1,0,0,0,0,0|3,0,0]=4 488 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [1,0,0,0,0,0|3,0,0]=4 489 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|1,0,0]=2 490 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|1,0,0]=2 491 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|2,0,0]=3 492 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 493 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 494 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|2,0,0]=3 495 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|2,0,0]=3 496 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|2,0,0]=3 497 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,0,0,0,0|3,0,0]=4 498 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [1,0,0,0,0,0|3,0,0]=4 499 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|1,0,0]=2 500 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|1,0,0]=2 501 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|2,0,0]=3 502 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|2,0,0]=3 503 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|2,0,0]=3 504 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|2,0,0]=3 505 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|2,0,0]=3 506 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|2,0,0]=3 507 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|2,0,0]=3 508 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|2,0,0]=3 509 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,1,0,0,0,0|2,0,1]=4 510 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,1,0,0,0,0|2,0,1]=4 511 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,1,0,0,0,0|2,0,1]=4 512 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,1,0,0,0,0|2,0,1]=4 513 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,1,0,0,0,0|2,0,1]=4 514 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,1,0,0,0,0|2,0,1]=4 515 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,1,0,0,0,0|2,0,1]=4 516 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,1,0,0,0,0|2,0,1]=4 517 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,1,0,0,0,0|2,0,1]=4 518 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,1,0,0,0,0|2,0,1]=4 519 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,1,0,0,0,0|2,0,1]=4 520 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,1,0,0,0,0|2,0,1]=4 522 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,1,0,0,0,0|2,0,1]=4 526 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,1,0,0,0,0|2,0,1]=4 530 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,1,0,0,0,0|2,0,1]=4 531 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,1,0,0,0,0|2,0,1]=4 532 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,1,0,0,0,0|2,0,1]=4 533 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,1,0,0,0,0|2,0,1]=4 534 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,1,0,0,0,0|2,0,1]=4 535 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,1,0,0,0,0|2,0,1]=4 536 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,1,0,0,0,0|2,0,1]=4 537 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,1,0,0,0,0|2,0,1]=4 538 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,0|0,0,2]=3 539 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,0|0,0,2]=3 540 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,0|0,0,2]=3 541 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,0|0,0,2]=3 542 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,0|0,0,2]=3 543 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,0|0,0,2]=3 544 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,0|0,0,2]=3 545 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,0|0,0,2]=3 546 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,0|0,0,2]=3 547 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,0|0,0,2]=3 548 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,0|0,0,2]=3 549 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,0|0,0,2]=3 550 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,0|1,0,2]=4 551 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,0|1,0,2]=4 552 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,0|1,0,2]=4 553 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,0|1,0,2]=4 554 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,0|1,0,2]=4 555 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,0|1,0,2]=4 556 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,0,0|1,0,2]=4 557 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,0,0|1,0,2]=4 558 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,0|1,0,2]=4 559 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,0,0|1,0,2]=4 560 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,0|1,0,2]=4 561 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,0|1,0,2]=4 562 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,0|1,0,2]=4 563 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,0|1,0,2]=4 564 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,0|1,0,2]=4 565 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,0|1,0,2]=4 566 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,0|1,0,2]=4 567 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,0|1,0,2]=4 568 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,0|1,0,2]=4 569 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,0|1,0,2]=4 570 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,0|1,0,2]=4 571 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,0|1,0,2]=4 572 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,0|1,0,2]=4 573 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,0|1,0,2]=4 574 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,0|1,0,2]=4 575 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,0|1,0,2]=4 576 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,0|1,0,2]=4 577 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,0|1,0,2]=4 578 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,0|1,0,2]=4 579 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,0|1,0,2]=4 580 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,0|1,0,2]=4 581 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,0|1,0,2]=4 582 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,0|1,0,2]=4 583 B12R1.21 CC(C)C=Cc1ccc(cc1)Br 271570a_100016257149_100000752885 [0,1,0,0,0,0|1,0,2]=4 584 B12R1.21 CC(C)C=Cc1ccc(cc1)Cl 271570a_100016257149_100000755918 [0,1,0,0,0,0|1,0,2]=4 585 B12R1.21 CC(C)C=Cc1ccc(cc1)F 271570a_100016257149_100000211213 [0,1,0,0,0,0|1,0,2]=4 586 B12R1.21 CC(C)C=Cc1ccc(cc1)N 271570a_100016257149_100000185761 [0,1,0,0,0,0|1,0,2]=4 587 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [0,1,0,0,0,0|1,0,2]=4 588 B12R1.21 CC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000210760 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.21 CC(C)CNc1ccc(cc1)Br 34a_100000210018_100000210624 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.21 CC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000210760 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.21 CC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000210624 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.21 CC(C)CNc1ccc(cc1)F 34a_100000185862_100000210624 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.21 CC(C)CNc1ccc(cc1)I 34a_100000185761_100000210624 [0,1,0,0,0,0|2,0,0]=3 594 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.21 CC(C)CNc1ccc(cn1)Br 27a_100000210953_100000686858 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.21 CC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000210624 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,1,0,0,0,0|2,0,0]=3 599 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,1,0,0,0,0|2,0,0]=3 600 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,1,0,0,0,0|2,0,0]=3 601 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,1,0,0,0,0|2,0,0]=3 602 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.21 CC(C)COc1ccc(cn1)Cl 34a_100011215309_100000210624 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.21 CC(C)COc1ccc(cn1)F 34a_100000742473_100000210624 [0,1,0,0,0,0|3,0,0]=4 609 B12R1.21 CC(C)COc1ccc(cn1)N 34a_100000729260_100000210624 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.21 CC(C)COc1ccc(nc1)Br 34a_100000685995_100000210624 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.21 CC(C)COc1ccc(nc1)Br 7a_100000685995_100000210760 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.21 CC(C)COc1ccc(nc1)Cl 34a_100000744096_100000210624 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.21 CC(C)COc1ccc(nc1)Cl 7a_100000744096_100000210760 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.21 CC(C)COc1ccc(nc1)F 34a_100000688820_100000210624 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.21 CC(C)COc1ccc(nc1)F 7a_100000688820_100000210760 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.21 CC(C)COc1ccc(nc1)I 34a_100000687607_100000210624 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.21 CC(C)COc1ccc(nc1)I 7a_100000687607_100000210760 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.21 CC(C)COc1ccc(nc1)N 34a_100015188713_100000210624 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.21 CC(C)COc1ccc(nc1)N 7a_100015188713_100000210760 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.21 CC(C)CSc1cc[n+](cc1)[O-] 62a_100000210624_100000039755 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.21 CC(C)CSc1ccc(=O)[nH]c1 62a_100000210624_100000212171 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.21 CC(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000210760 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000210624_100000752885 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000752885_100000210760 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000210624_100000755918 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000210760 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000210624_100000211213 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000211213_100000210760 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000185761_100000210760 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000210624_100000185761 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.21 CC(C)CSc1ccc(cn1)Br 62a_100000210624_100000686858 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.21 CC(C)CSc1ccc(cn1)Br 62a_100000686858_100000210760 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100000210624_100011356976 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100011356976_100000210760 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.21 CC(C)CSc1ccc(cn1)F 62a_100000210624_100000744514 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.21 CC(C)CSc1ccc(cn1)F 62a_100000744514_100000210760 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.21 CC(C)CSc1ccc(cn1)N 62a_100000210624_100000737798 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.21 CC(C)CSc1ccc(cn1)N 62a_100000737798_100000210760 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.21 CC(C)CSc1ccc(cn1)O 62a_100000210624_100000744096 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.21 CC(C)CSc1ccc(cn1)O 62a_100000685995_100000210760 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.21 CC(C)CSc1ccc(nc1)Br 62a_100000210624_100009814638 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.21 CC(C)CSc1ccc(nc1)Br 62a_100009814638_100000210760 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.21 CC(C)CSc1ccc(nc1)Cl 62a_100000034144_100000210760 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.21 CC(C)CSc1ccc(nc1)Cl 62a_100000210624_100000034144 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.21 CC(C)CSc1ccc(nc1)F 62a_100000042367_100000210760 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.21 CC(C)CSc1ccc(nc1)F 62a_100000210624_100000042367 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.21 CC(C)CSc1ccc(nc1)N 62a_100000187370_100000210760 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.21 CC(C)CSc1ccc(nc1)N 62a_100000210624_100000187370 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.21 CC(C)NCc1ccc(cc1)Br 207a_100138425928_100000186029 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000210206 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100138425928_100011217064 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100000174875_100000210206 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100138425928_100000189115 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.21 CC(C)NCc1ccc(cc1)Cl 207a_100138425928_100000189385 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000210206 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100138425928_100000694040 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210206 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100138425928_100000694040 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.21 CC(C)NCc1ccc(cc1)F 207a_100138425928_100000210084 [0,1,0,0,0,0|2,0,0]=3 661 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100000174882_100000210206 [0,1,0,0,0,0|2,0,0]=3 662 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100138425928_100000198546 [0,1,0,0,0,0|2,0,0]=3 663 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100000174882_100000210206 [0,1,0,0,0,0|2,0,0]=3 664 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100138425928_100000198546 [0,1,0,0,0,0|2,0,0]=3 665 B12R1.21 CC(C)NCc1ccc(cc1)I 207a_100138425928_100000188517 [0,1,0,0,0,0|2,0,0]=3 666 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100016989417_100000210206 [0,1,0,0,0,0|2,0,0]=3 667 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100138425928_100000189116 [0,1,0,0,0,0|2,0,0]=3 668 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100016989417_100000210206 [0,1,0,0,0,0|2,0,0]=3 669 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100138425928_100000189116 [0,1,0,0,0,0|2,0,0]=3 670 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.21 CC(C)NCc1ccc(cn1)Br 207a_100138425928_100000754260 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.21 CC(C)NCc1ccc(cn1)Br 2230a_100138425928_100000702658 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.21 CC(C)NCc1ccc(cn1)Br 34a_100015188789_100000210206 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.21 CC(C)NCc1ccc(cn1)Br 34a_100138425928_100000702658 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.21 CC(C)NCc1ccc(cn1)Cl 207a_100138425928_100011361569 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.21 CC(C)NCc1ccc(cn1)Cl 2230a_100138425928_100012066911 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.21 CC(C)NCc1ccc(cn1)Cl 34a_100000697193_100000210206 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.21 CC(C)NCc1ccc(cn1)Cl 34a_100138425928_100012066911 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.21 CC(C)NCc1ccc(cn1)F 207a_100138425928_100011934744 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.21 CC(C)NCc1ccc(cn1)F 2230a_100138425928_100000703193 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.21 CC(C)NCc1ccc(cn1)F 34a_100020620131_100000210206 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.21 CC(C)NCc1ccc(cn1)F 34a_100138425928_100000703193 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.21 CC(C)NCc1ccc(nc1)Br 2230a_100009817727_100000210206 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.21 CC(C)NCc1ccc(nc1)Br 2230a_100138425928_100009831999 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.21 CC(C)NCc1ccc(nc1)Br 34a_100009817727_100000210206 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.21 CC(C)NCc1ccc(nc1)Br 34a_100138425928_100009831999 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.21 CC(C)NCc1ccc(nc1)Cl 2230a_100000735879_100000210206 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.21 CC(C)NCc1ccc(nc1)Cl 2230a_100138425928_100000735431 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.21 CC(C)NCc1ccc(nc1)Cl 34a_100000735879_100000210206 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.21 CC(C)NCc1ccc(nc1)Cl 34a_100138425928_100000735431 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.21 CC(C)NCc1ccc(nc1)F 2230a_100000101913_100000210206 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.21 CC(C)NCc1ccc(nc1)F 2230a_100138425928_100009820150 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.21 CC(C)NCc1ccc(nc1)F 34a_100000101913_100000210206 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.21 CC(C)NCc1ccc(nc1)F 34a_100138425928_100000099788 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.21 CC(C)NCc1ccc(nc1)O 207a_100138425928_100011361521 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.21 CC(C)NCc1ccc(nc1)O 2230a_100000757128_100000210206 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.21 CC(C)NCc1ccc(nc1)O 271570a_203496583355_100016992178 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.21 CC(C)OCc1cc[n+](cc1)C 34a_100009831711_100000210206 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.21 CC(C)OCc1cc[n+](cc1)[O-] 34a_100000031831_100000210206 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.21 CC(C)OCc1cc[n+](cc1)[O-] 7a_100000031831_100000210206 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.21 CC(C)OCc1ccc(=O)[nH]c1 34a_100011999846_100000210206 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000212225_100000189115 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000695286_100000210206 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000210977_100000210206 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000212225_100000198546 [0,1,0,0,0,0|2,0,0]=3 710 B12R1.21 CC(C)OCc1ccc(cc1)F 7a_100000210977_100000210206 [0,1,0,0,0,0|2,0,0]=3 711 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000212225_100000189116 [0,1,0,0,0,0|2,0,0]=3 712 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000690907_100000210206 [0,1,0,0,0,0|2,0,0]=3 713 B12R1.21 CC(C)OCc1ccc(cc1)I 7a_100000690907_100000210206 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.21 CC(C)OCc1ccc(cc1)N 34a_100011215238_100000210206 [0,1,0,0,0,0|2,0,0]=3 715 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [0,1,0,0,0,0|2,0,0]=3 716 B12R1.21 CC(C)OCc1ccc(cn1)Br 34a_100000212225_100000702658 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.21 CC(C)OCc1ccc(cn1)Br 34a_100000754261_100000210206 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.21 CC(C)OCc1ccc(cn1)Cl 34a_100000212225_100012066911 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.21 CC(C)OCc1ccc(cn1)Cl 34a_100000703999_100000210206 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.21 CC(C)OCc1ccc(cn1)F 34a_100000212225_100000703193 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.21 CC(C)OCc1ccc(cn1)F 34a_100011999454_100000210206 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.21 CC(C)OCc1ccc(cn1)N 34a_100011998161_100000210206 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.21 CC(C)OCc1ccc(nc1)Br 34a_100000212225_100009831999 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.21 CC(C)OCc1ccc(nc1)Br 34a_100009816760_100000210206 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.21 CC(C)OCc1ccc(nc1)Br 7a_100009816760_100000210206 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.21 CC(C)OCc1ccc(nc1)Cl 34a_100000212225_100000735431 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.21 CC(C)OCc1ccc(nc1)Cl 34a_100000755211_100000210206 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.21 CC(C)OCc1ccc(nc1)Cl 7a_100000755211_100000210206 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.21 CC(C)OCc1ccc(nc1)F 34a_100000079959_100000210206 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.21 CC(C)OCc1ccc(nc1)F 34a_100000212225_100000099788 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.21 CC(C)OCc1ccc(nc1)N 34a_100000704267_100000210206 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000189115_100000210206 [0,1,0,0,0,0|2,0,0]=3 733 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000210206_100000189115 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000210206 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000210206_100000187161 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000198546_100000210206 [0,1,0,0,0,0|2,0,0]=3 737 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000210206_100000187164 [0,1,0,0,0,0|2,0,0]=3 738 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000189116_100000210206 [0,1,0,0,0,0|2,0,0]=3 739 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000210206_100000189116 [0,1,0,0,0,0|2,0,0]=3 740 B12R1.21 CC(C)SCc1ccc(cc1)O 271570a_203496583355_100000173087 [0,1,0,0,0,0|2,0,0]=3 741 B12R1.21 CC(C)SCc1ccc(cn1)Br 62a_100000210206_100000702658 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.21 CC(C)SCc1ccc(cn1)Br 62a_100000702658_100000210206 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.21 CC(C)SCc1ccc(cn1)Cl 62a_100000210206_100000697101 [0,1,0,0,0,0|3,0,0]=4 744 B12R1.21 CC(C)SCc1ccc(cn1)Cl 62a_100012066911_100000210206 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.21 CC(C)SCc1ccc(cn1)F 62a_100000210206_100000703193 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.21 CC(C)SCc1ccc(cn1)F 62a_100000703193_100000210206 [0,1,0,0,0,0|3,0,0]=4 747 B12R1.21 CC(C)SCc1ccc(nc1)Br 62a_100000210206_100009831999 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.21 CC(C)SCc1ccc(nc1)Br 62a_100009831999_100000210206 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.21 CC(C)SCc1ccc(nc1)Cl 62a_100000210206_100000735431 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.21 CC(C)SCc1ccc(nc1)Cl 62a_100000735431_100000210206 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.21 CC(C)SCc1ccc(nc1)F 62a_100000210206_100000099788 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.21 CC(C)SCc1ccc(nc1)F 62a_100009820150_100000210206 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.21 CC(O)C=Cc1cc[n+](cc1)[O-] 271570a_200011019289_100000039755 [0,1,0,0,0,0|1,0,2]=4 754 B12R1.21 CC(O)C=Cc1ccc(=O)[nH]c1 271570a_200011019289_100000212171 [0,1,0,0,0,0|1,0,2]=4 755 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [0,1,0,0,0,0|0,0,2]=3 756 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [0,1,0,0,0,0|0,0,2]=3 757 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [0,1,0,0,0,0|0,0,2]=3 758 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [0,1,0,0,0,0|0,0,2]=3 759 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,1,0,0,0,0|0,0,2]=3 760 B12R1.21 CC(O)C=Cc1ccc(cn1)Br 271570a_200011019289_100000686858 [0,1,0,0,0,0|1,0,2]=4 761 B12R1.21 CC(O)C=Cc1ccc(cn1)Cl 271570a_200011019289_100011356976 [0,1,0,0,0,0|1,0,2]=4 762 B12R1.21 CC(O)C=Cc1ccc(cn1)F 271570a_200011019289_100000744514 [0,1,0,0,0,0|1,0,2]=4 763 B12R1.21 CC(O)C=Cc1ccc(cn1)N 271570a_200011019289_100000744251 [0,1,0,0,0,0|1,0,2]=4 764 B12R1.21 CC(O)C=Cc1ccc(cn1)O 271570a_200011019289_100000685995 [0,1,0,0,0,0|1,0,2]=4 765 B12R1.21 CC(O)C=Cc1ccc(nc1)Br 271570a_200011019289_100009814638 [0,1,0,0,0,0|1,0,2]=4 766 B12R1.21 CC(O)C=Cc1ccc(nc1)Cl 271570a_200011019289_100000034144 [0,1,0,0,0,0|1,0,2]=4 767 B12R1.21 CC(O)C=Cc1ccc(nc1)F 271570a_200011019289_100000748661 [0,1,0,0,0,0|1,0,2]=4 768 B12R1.21 CC(O)C=Cc1ccc(nc1)N 271570a_200011019289_100000187370 [0,1,0,0,0,0|1,0,2]=4 769 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [0,1,0,0,0,0|1,0,0]=2 770 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [0,1,0,0,0,0|1,0,0]=2 771 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [0,1,0,0,0,0|1,0,0]=2 772 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [0,1,0,0,0,0|1,0,0]=2 773 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [0,1,0,0,0,0|1,0,0]=2 774 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [0,1,0,0,0,0|1,0,0]=2 775 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,1,0,0,0,0|1,0,0]=2 776 B12R1.21 CC(O)CNc1ccc(cn1)Br 27a_100000210904_100000686858 [0,1,0,0,0,0|2,0,0]=3 777 B12R1.21 CC(O)CNc1cnc(cn1)Br 27a_100000210904_100010187541 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.21 CC(O)CNc1cnc(cn1)F 27a_100000210904_100009856528 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.21 CC(O)CNc1ncc(cn1)Br 27a_100000210904_100000690281 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.21 CC(O)CNc1ncc(cn1)Cl 27a_100000210904_100011356929 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.21 CC(O)CNc1ncc(cn1)F 27a_100000210904_100000685220 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.21 CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218427 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,1,0,0,0,0|1,0,0]=2 784 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,1,0,0,0,0|1,0,0]=2 785 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,1,0,0,0,0|1,0,0]=2 786 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,1,0,0,0,0|1,0,0]=2 787 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,1,0,0,0,0|1,0,0]=2 788 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,1,0,0,0,0|1,0,0]=2 789 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,1,0,0,0,0|1,0,0]=2 790 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,1,0,0,0,0|1,0,0]=2 791 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [0,1,0,0,0,0|2,0,0]=3 793 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [0,1,0,0,0,0|2,0,0]=3 794 B12R1.21 CC(O)COc1ccc(nc1)Br 34a_100000685995_100011218427 [0,1,0,0,0,0|2,0,0]=3 795 B12R1.21 CC(O)COc1ccc(nc1)Br 7a_100000685995_100011218427 [0,1,0,0,0,0|2,0,0]=3 796 B12R1.21 CC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218427 [0,1,0,0,0,0|2,0,0]=3 797 B12R1.21 CC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218427 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.21 CC(O)COc1ccc(nc1)F 34a_100000688820_100011218427 [0,1,0,0,0,0|2,0,0]=3 799 B12R1.21 CC(O)COc1ccc(nc1)F 7a_100000688820_100011218427 [0,1,0,0,0,0|2,0,0]=3 800 B12R1.21 CC(O)COc1ccc(nc1)I 34a_100000687607_100011218427 [0,1,0,0,0,0|2,0,0]=3 801 B12R1.21 CC(O)COc1ccc(nc1)I 7a_100000687607_100011218427 [0,1,0,0,0,0|2,0,0]=3 802 B12R1.21 CC(O)COc1ccc(nc1)N 34a_100015188713_100011218427 [0,1,0,0,0,0|2,0,0]=3 803 B12R1.21 CC(O)COc1ccc(nc1)N 7a_100015188713_100011218427 [0,1,0,0,0,0|2,0,0]=3 804 B12R1.21 CC(O)COc1cnc(cn1)Br 34a_100011934580_100011218427 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.21 CC(O)COc1cnc(cn1)Cl 34a_100015839800_100011218427 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.21 CC(O)COc1cnc(nc1)Br 34a_100000730009_100011218427 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.21 CC(O)COc1cnc(nc1)Br 7a_100000730009_100011218427 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.21 CC(O)COc1cnc(nc1)Cl 34a_100000092845_100011218427 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.21 CC(O)COc1cnc(nc1)Cl 7a_100000092845_100011218427 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.21 CC(O)COc1cnc(nc1)F 34a_200009874573_100011218427 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.21 CC(O)COc1cnc(nc1)F 7a_200009874573_100011218427 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.21 CC(O)COc1cnc(nc1)N 34a_100000087137_100011218427 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.21 CC(O)COc1cnc(nc1)N 7a_100000087137_100011218427 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.21 CC(O)COc1ncc(cn1)F 34a_100011934040_100011218427 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.21 CC(O)CSc1cc[n+](cc1)[O-] 62a_100011218427_100000039755 [0,1,0,0,0,0|2,0,0]=3 816 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218427 [0,1,0,0,0,0|2,0,0]=3 817 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100011218427_100000212171 [0,1,0,0,0,0|2,0,0]=3 818 B12R1.21 CC(O)CSc1ccc(=O)[nH]n1 62a_100009820020_100011218427 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.21 CC(O)CSc1ccc(=O)[nH]n1 62a_100011218427_100009820020 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [0,1,0,0,0,0|1,0,0]=2 821 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [0,1,0,0,0,0|1,0,0]=2 822 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [0,1,0,0,0,0|1,0,0]=2 823 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [0,1,0,0,0,0|1,0,0]=2 824 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [0,1,0,0,0,0|1,0,0]=2 826 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [0,1,0,0,0,0|1,0,0]=2 827 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [0,1,0,0,0,0|1,0,0]=2 828 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,1,0,0,0,0|1,0,0]=2 829 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218427 [0,1,0,0,0,0|2,0,0]=3 830 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100011218427_100000686858 [0,1,0,0,0,0|2,0,0]=3 831 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011218427_100011356976 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218427 [0,1,0,0,0,0|2,0,0]=3 833 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100000744514_100011218427 [0,1,0,0,0,0|2,0,0]=3 834 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100011218427_100000744514 [0,1,0,0,0,0|2,0,0]=3 835 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100000737798_100011218427 [0,1,0,0,0,0|2,0,0]=3 836 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100011218427_100000737798 [0,1,0,0,0,0|2,0,0]=3 837 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [0,1,0,0,0,0|2,0,0]=3 838 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [0,1,0,0,0,0|2,0,0]=3 839 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100009814638_100011218427 [0,1,0,0,0,0|2,0,0]=3 840 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100011218427_100009814638 [0,1,0,0,0,0|2,0,0]=3 841 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011218427 [0,1,0,0,0,0|2,0,0]=3 842 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100011218427_100000034144 [0,1,0,0,0,0|2,0,0]=3 843 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100000042367_100011218427 [0,1,0,0,0,0|2,0,0]=3 844 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100011218427_100000042367 [0,1,0,0,0,0|2,0,0]=3 845 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100000187370_100011218427 [0,1,0,0,0,0|2,0,0]=3 846 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100011218427_100000187370 [0,1,0,0,0,0|2,0,0]=3 847 B12R1.21 CC(O)CSc1ccc(nn1)Cl 62a_100000068654_100011218427 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.21 CC(O)CSc1ccc(nn1)Cl 62a_100011218427_100000068654 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.21 CC(O)CSc1ccc(nn1)N 62a_100010219413_100011218427 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.21 CC(O)CSc1ccc(nn1)N 62a_100011218427_100010219413 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.21 CC(O)CSc1cnc(=O)[nH]c1 62a_100011218427_102495366499 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.21 CC(O)CSc1cnc(=O)[nH]c1 62a_102495366499_100011218427 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.21 CC(O)CSc1cnc(cn1)Br 62a_100010187541_100011218427 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.21 CC(O)CSc1cnc(cn1)Br 62a_100011218427_100010187541 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.21 CC(O)CSc1cnc(cn1)Cl 62a_100010214907_100011218427 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.21 CC(O)CSc1cnc(cn1)Cl 62a_100011218427_100010214907 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.21 CC(O)CSc1cnc(cn1)F 62a_100009856528_100011218427 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.21 CC(O)CSc1cnc(cn1)F 62a_100011218427_100009856528 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.21 CC(O)CSc1cnc(cn1)N 62a_100000744751_100011218427 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.21 CC(O)CSc1cnc(cn1)N 62a_100011218427_100000744751 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.21 CC(O)CSc1cnc(cn1)O 62a_100011218427_100015839800 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.21 CC(O)CSc1cnc(cn1)O 62a_100011934580_100011218427 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.21 CC(O)CSc1cnc(nc1)Br 62a_100011218427_200012349914 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.21 CC(O)CSc1cnc(nc1)Br 62a_200012349914_100011218427 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.21 CC(O)CSc1cnc(nc1)Cl 62a_100000059775_100011218427 [0,1,0,0,0,0|3,0,0]=4 866 B12R1.21 CC(O)CSc1cnc(nc1)Cl 62a_100011218427_100000059775 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.21 CC(O)CSc1cnc(nc1)F 62a_100000685262_100011218427 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.21 CC(O)CSc1cnc(nc1)F 62a_100011218427_100000685262 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.21 CC(O)CSc1cnc(nc1)N 62a_100000766020_100011218427 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.21 CC(O)CSc1cnc(nc1)N 62a_100011218427_100000766020 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.21 CC(O)CSc1ncc(cn1)Br 62a_100000690281_100011218427 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.21 CC(O)CSc1ncc(cn1)Br 62a_100011218427_100000690281 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.21 CC(O)CSc1ncc(cn1)Cl 62a_100011218427_100011356929 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.21 CC(O)CSc1ncc(cn1)Cl 62a_100011356929_100011218427 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.21 CC(O)CSc1ncc(cn1)F 62a_100000685220_100011218427 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.21 CC(O)CSc1ncc(cn1)F 62a_100011218427_100000685220 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.21 CC(O)CSc1ncc(cn1)N 62a_100000068403_100011218427 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.21 CC(O)CSc1ncc(cn1)N 62a_100011218427_100000068403 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.21 CC(O)CSc1ncc(cn1)O 62a_100000730009_100011218427 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.21 CC(O)CSc1ncc(cn1)O 62a_100011218427_100000092845 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100000752880_200000210301 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100102631434_100011740612 [0,1,0,0,0,0|2,0,0]=3 883 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100000752880_200000210301 [0,1,0,0,0,0|2,0,0]=3 884 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100102631434_100011740612 [0,1,0,0,0,0|2,0,0]=3 885 B12R1.21 CN(C)CCc1ccc(cc1)Br 34a_100000752880_200000210301 [0,1,0,0,0,0|2,0,0]=3 886 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [0,1,0,0,0,0|2,0,0]=3 887 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [0,1,0,0,0,0|2,0,0]=3 888 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [0,1,0,0,0,0|2,0,0]=3 889 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [0,1,0,0,0,0|2,0,0]=3 890 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [0,1,0,0,0,0|2,0,0]=3 891 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102631434_100011217392 [0,1,0,0,0,0|2,0,0]=3 892 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102946585_200000210301 [0,1,0,0,0,0|2,0,0]=3 893 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102631434_100011217392 [0,1,0,0,0,0|2,0,0]=3 894 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102946585_200000210301 [0,1,0,0,0,0|2,0,0]=3 895 B12R1.21 CN(C)CCc1ccc(cc1)F 34a_100102946585_200000210301 [0,1,0,0,0,0|2,0,0]=3 896 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [0,1,0,0,0,0|2,0,0]=3 897 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [0,1,0,0,0,0|2,0,0]=3 898 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [0,1,0,0,0,0|2,0,0]=3 899 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [0,1,0,0,0,0|2,0,0]=3 900 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 2230a_100000752880_200025704644 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 269982a_100000752880_200025704644 [0,1,0,0,0,0|2,0,0]=3 903 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 34a_100000752880_200025704644 [0,1,0,0,0,0|2,0,0]=3 904 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [0,1,0,0,0,0|2,0,0]=3 905 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [0,1,0,0,0,0|2,0,0]=3 906 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [0,1,0,0,0,0|2,0,0]=3 907 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 2230a_100102946585_200025704644 [0,1,0,0,0,0|2,0,0]=3 908 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 269982a_100102946585_200025704644 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 34a_100102946585_200025704644 [0,1,0,0,0,0|2,0,0]=3 910 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [0,1,0,0,0,0|2,0,0]=3 911 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [0,1,0,0,0,0|2,0,0]=3 913 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [0,1,0,0,0,0|1,0,0]=2 914 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [0,1,0,0,0,0|1,0,0]=2 915 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [0,1,0,0,0,0|1,0,0]=2 916 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [0,1,0,0,0,0|1,0,0]=2 917 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [0,1,0,0,0,0|1,0,0]=2 918 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [0,1,0,0,0,0|1,0,0]=2 919 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,1,0,0,0,0|1,0,0]=2 920 B12R1.21 C[C@@H](O)COc1ccc(=O)[nH]c1 34a_100000075641_100009817552 [0,1,0,0,0,0|2,0,0]=3 921 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,1,0,0,0,0|1,0,0]=2 922 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,1,0,0,0,0|1,0,0]=2 923 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,1,0,0,0,0|1,0,0]=2 924 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,1,0,0,0,0|1,0,0]=2 925 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,1,0,0,0,0|1,0,0]=2 926 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,1,0,0,0,0|1,0,0]=2 927 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,1,0,0,0,0|1,0,0]=2 928 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,1,0,0,0,0|1,0,0]=2 929 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [0,1,0,0,0,0|2,0,0]=3 930 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [0,1,0,0,0,0|2,0,0]=3 931 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [0,1,0,0,0,0|2,0,0]=3 932 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 34a_100000685995_100009817552 [0,1,0,0,0,0|2,0,0]=3 933 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 7a_100000685995_100009817552 [0,1,0,0,0,0|2,0,0]=3 934 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009817552 [0,1,0,0,0,0|2,0,0]=3 935 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009817552 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 34a_100000688820_100009817552 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 7a_100000688820_100009817552 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 34a_100000687607_100009817552 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 7a_100000687607_100009817552 [0,1,0,0,0,0|2,0,0]=3 940 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 34a_100015188713_100009817552 [0,1,0,0,0,0|2,0,0]=3 941 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 7a_100015188713_100009817552 [0,1,0,0,0,0|2,0,0]=3 942 B12R1.21 C[C@@H](O)COc1cnc(cn1)Br 34a_100011934580_100009817552 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.21 C[C@@H](O)COc1cnc(cn1)Cl 34a_100015839800_100009817552 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.21 C[C@@H](O)COc1cnc(nc1)Br 34a_100000730009_100009817552 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.21 C[C@@H](O)COc1cnc(nc1)Br 7a_100000730009_100009817552 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.21 C[C@@H](O)COc1cnc(nc1)Cl 34a_100000092845_100009817552 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.21 C[C@@H](O)COc1cnc(nc1)Cl 7a_100000092845_100009817552 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.21 C[C@@H](O)COc1cnc(nc1)F 34a_200009874573_100009817552 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.21 C[C@@H](O)COc1cnc(nc1)F 7a_200009874573_100009817552 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.21 C[C@@H](O)COc1cnc(nc1)N 34a_100000087137_100009817552 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.21 C[C@@H](O)COc1cnc(nc1)N 7a_100000087137_100009817552 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.21 C[C@@H](O)COc1ncc(cn1)F 34a_100011934040_100009817552 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.21 C[C@@H](O)CSc1cc[n+](cc1)[O-] 62a_100009817552_100000039755 [0,1,0,0,0,0|2,0,0]=3 954 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100000212171_100009817552 [0,1,0,0,0,0|2,0,0]=3 955 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100009817552_100000212171 [0,1,0,0,0,0|2,0,0]=3 956 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]n1 62a_100009817552_100009820020 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]n1 62a_100009820020_100009817552 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [0,1,0,0,0,0|1,0,0]=2 959 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [0,1,0,0,0,0|1,0,0]=2 960 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [0,1,0,0,0,0|1,0,0]=2 961 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [0,1,0,0,0,0|1,0,0]=2 962 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [0,1,0,0,0,0|1,0,0]=2 963 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [0,1,0,0,0,0|1,0,0]=2 964 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [0,1,0,0,0,0|1,0,0]=2 965 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [0,1,0,0,0,0|1,0,0]=2 966 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,1,0,0,0,0|1,0,0]=2 967 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009817552 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100009817552_100000686858 [0,1,0,0,0,0|2,0,0]=3 969 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100009817552_100011356976 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009817552 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100000744514_100009817552 [0,1,0,0,0,0|2,0,0]=3 972 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100009817552_100000744514 [0,1,0,0,0,0|2,0,0]=3 973 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100000737798_100009817552 [0,1,0,0,0,0|2,0,0]=3 974 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100009817552_100000737798 [0,1,0,0,0,0|2,0,0]=3 975 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [0,1,0,0,0,0|2,0,0]=3 976 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [0,1,0,0,0,0|2,0,0]=3 977 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009814638_100009817552 [0,1,0,0,0,0|2,0,0]=3 978 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009817552_100009814638 [0,1,0,0,0,0|2,0,0]=3 979 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009817552 [0,1,0,0,0,0|2,0,0]=3 980 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100009817552_100000034144 [0,1,0,0,0,0|2,0,0]=3 981 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100000042367_100009817552 [0,1,0,0,0,0|2,0,0]=3 982 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100009817552_100000042367 [0,1,0,0,0,0|2,0,0]=3 983 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100000187370_100009817552 [0,1,0,0,0,0|2,0,0]=3 984 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100009817552_100000187370 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.21 C[C@@H](O)CSc1ccc(nn1)Cl 62a_100000068654_100009817552 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.21 C[C@@H](O)CSc1ccc(nn1)Cl 62a_100009817552_100000068654 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.21 C[C@@H](O)CSc1ccc(nn1)N 62a_100009817552_100010219413 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.21 C[C@@H](O)CSc1ccc(nn1)N 62a_100010219413_100009817552 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.21 C[C@@H](O)CSc1cnc(=O)[nH]c1 62a_100009817552_102495366499 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.21 C[C@@H](O)CSc1cnc(=O)[nH]c1 62a_102495366499_100009817552 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Br 62a_100009817552_100010187541 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Br 62a_100010187541_100009817552 [0,1,0,0,0,0|3,0,0]=4 993 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Cl 62a_100009817552_100010214907 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Cl 62a_100010214907_100009817552 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.21 C[C@@H](O)CSc1cnc(cn1)F 62a_100009817552_100009856528 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.21 C[C@@H](O)CSc1cnc(cn1)F 62a_100009856528_100009817552 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.21 C[C@@H](O)CSc1cnc(cn1)N 62a_100000744751_100009817552 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.21 C[C@@H](O)CSc1cnc(cn1)N 62a_100009817552_100000744751 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.21 C[C@@H](O)CSc1cnc(cn1)O 62a_100009817552_100015839800 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.21 C[C@@H](O)CSc1cnc(cn1)O 62a_100011934580_100009817552 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.21 C[C@@H](O)CSc1cnc(nc1)Br 62a_100009817552_200012349914 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.21 C[C@@H](O)CSc1cnc(nc1)Br 62a_200012349914_100009817552 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.21 C[C@@H](O)CSc1cnc(nc1)Cl 62a_100000059775_100009817552 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.21 C[C@@H](O)CSc1cnc(nc1)Cl 62a_100009817552_100000059775 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.21 C[C@@H](O)CSc1cnc(nc1)F 62a_100000685262_100009817552 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.21 C[C@@H](O)CSc1cnc(nc1)F 62a_100009817552_100000685262 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.21 C[C@@H](O)CSc1cnc(nc1)N 62a_100000766020_100009817552 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.21 C[C@@H](O)CSc1cnc(nc1)N 62a_100009817552_100000766020 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Br 62a_100000690281_100009817552 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Br 62a_100009817552_100000690281 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Cl 62a_100009817552_100011356929 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Cl 62a_100011356929_100009817552 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.21 C[C@@H](O)CSc1ncc(cn1)F 62a_100000685220_100009817552 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.21 C[C@@H](O)CSc1ncc(cn1)F 62a_100009817552_100000685220 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.21 C[C@@H](O)CSc1ncc(cn1)N 62a_100000068403_100009817552 [0,1,0,0,0,0|3,0,0]=4 1016 B12R1.21 C[C@@H](O)CSc1ncc(cn1)N 62a_100009817552_100000068403 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.21 C[C@@H](O)CSc1ncc(cn1)O 62a_100000730009_100009817552 [0,1,0,0,0,0|3,0,0]=4 1018 B12R1.21 C[C@@H](O)CSc1ncc(cn1)O 62a_100009817552_100000092845 [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.21 Cc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000186775 [0,1,0,0,0,0|1,0,2]=4 1020 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,1,0,0,0,0|0,0,2]=3 1021 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,0|0,0,2]=3 1022 B12R1.21 Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713686 [0,1,0,0,0,0|2,0,0]=3 1023 B12R1.21 Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100011713686 [0,1,0,0,0,0|2,0,0]=3 1024 B12R1.21 Cc1ccc(cc1)CNC(C)C 207a_100138425928_100000211033 [0,1,0,0,0,0|2,0,0]=3 1025 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100000174908_100000210206 [0,1,0,0,0,0|2,0,0]=3 1026 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000210814 [0,1,0,0,0,0|2,0,0]=3 1027 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100000174908_100000210206 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000210814 [0,1,0,0,0,0|2,0,0]=3 1029 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100000212225_100000210814 [0,1,0,0,0,0|2,0,0]=3 1030 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100011215236_100000210206 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.21 Cc1ccc(cc1)COC(C)C 7a_100011215236_100000210206 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000210814 [0,1,0,0,0,0|2,0,0]=3 1033 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210814_100000210206 [0,1,0,0,0,0|2,0,0]=3 1034 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,1,0,0,0,0|1,0,0]=2 1036 B12R1.21 Cc1ccc(cc1)NCC(F)F 34a_100000124888_100011934356 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,1,0,0,0,0|1,0,0]=2 1038 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,0|1,0,2]=4 1039 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,1,0,0,0,0|2,0,0]=3 1041 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,1,0,0,0,0|1,0,0]=2 1042 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,1,0,0,0,0|1,0,0]=2 1043 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [0,1,0,0,0,0|3,0,0]=4 1045 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,1,0,0,0,0|1,0,0]=2 1046 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,1,0,0,0,0|1,0,0]=2 1047 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,0,0|1,0,2]=4 1048 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000186775_100000210760 [0,1,0,0,0,0|2,0,0]=3 1049 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000186775 [0,1,0,0,0,0|2,0,0]=3 1050 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,1,0,0,0,0|1,0,0]=2 1051 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,1,0,0,0,0|1,0,0]=2 1052 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100000186775_100011934356 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100011934356_100000186775 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,1,0,0,0,0|1,0,0]=2 1055 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,1,0,0,0,0|1,0,0]=2 1056 B12R1.21 Cc1ccc(cn1)C=CC(C)O 271570a_200011019289_100000751577 [0,1,0,0,0,0|1,0,2]=4 1057 B12R1.21 Cc1ccc(cn1)CNC(C)C 2230a_100138425928_100016987292 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.21 Cc1ccc(cn1)CNC(C)C 34a_100000740942_100000210206 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.21 Cc1ccc(cn1)CNC(C)C 34a_100138425928_100016987292 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.21 Cc1ccc(cn1)COC(C)C 34a_100000212225_100016987292 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.21 Cc1ccc(cn1)COC(C)C 34a_100011248133_100000210206 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.21 Cc1ccc(cn1)CSC(C)C 62a_100000210206_100016987292 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.21 Cc1ccc(cn1)CSC(C)C 62a_100016987292_100000210206 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.21 Cc1ccc(cn1)OCC(C)C 34a_100000745506_100000210624 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.21 Cc1ccc(cn1)OCC(C)C 7a_100000745506_100000210760 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.21 Cc1ccc(cn1)OCC(C)O 34a_100000745506_100011218427 [0,1,0,0,0,0|2,0,0]=3 1067 B12R1.21 Cc1ccc(cn1)OCC(C)O 7a_100000745506_100011218427 [0,1,0,0,0,0|2,0,0]=3 1068 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 34a_100000745506_100009817552 [0,1,0,0,0,0|2,0,0]=3 1069 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 7a_100000745506_100009817552 [0,1,0,0,0,0|2,0,0]=3 1070 B12R1.21 Cc1ccc(cn1)SCC(C)C 62a_100000210624_100000751577 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.21 Cc1ccc(cn1)SCC(C)C 62a_100000751577_100000210760 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100000751577_100011218427 [0,1,0,0,0,0|2,0,0]=3 1073 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100011218427_100000751577 [0,1,0,0,0,0|2,0,0]=3 1074 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100000751577_100009817552 [0,1,0,0,0,0|2,0,0]=3 1075 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000751577 [0,1,0,0,0,0|2,0,0]=3 1076 B12R1.21 Cc1ccc(nc1)C=CC(C)O 271570a_200011019289_100000754016 [0,1,0,0,0,0|1,0,2]=4 1077 B12R1.21 Cc1ccc(nc1)CNC(C)C 207a_100138425928_100000050478 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.21 Cc1ccc(nc1)CNC(C)C 2230a_100138425928_100000691093 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.21 Cc1ccc(nc1)CNC(C)C 34a_100015187455_100000210206 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.21 Cc1ccc(nc1)CNC(C)C 34a_100138425928_100000691093 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.21 Cc1ccc(nc1)COC(C)C 34a_100000212225_100000691093 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.21 Cc1ccc(nc1)COC(C)C 34a_100012001401_100000210206 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.21 Cc1ccc(nc1)CSC(C)C 62a_100000210206_100000691093 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.21 Cc1ccc(nc1)CSC(C)C 62a_100000691093_100000210206 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.21 Cc1ccc(nc1)OCC(C)C 34a_100000759353_100000210624 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [0,1,0,0,0,0|2,0,0]=3 1087 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [0,1,0,0,0,0|2,0,0]=3 1088 B12R1.21 Cc1ccc(nc1)SCC(C)C 62a_100000210624_100000754016 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.21 Cc1ccc(nc1)SCC(C)C 62a_100011192072_100000210760 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011192072_100011218427 [0,1,0,0,0,0|2,0,0]=3 1091 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011218427_100000754016 [0,1,0,0,0,0|2,0,0]=3 1092 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000754016 [0,1,0,0,0,0|2,0,0]=3 1093 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100011192072_100009817552 [0,1,0,0,0,0|2,0,0]=3 1094 B12R1.21 Cc1ccc(nn1)NCC(C)O 27a_100000210904_100000744512 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.21 Cc1ccc(nn1)SCC(C)O 62a_100000744512_100011218427 [0,1,0,0,0,0|3,0,0]=4 1096 B12R1.21 Cc1ccc(nn1)SCC(C)O 62a_100011218427_100000744512 [0,1,0,0,0,0|3,0,0]=4 1097 B12R1.21 Cc1ccc(nn1)SC[C@@H](C)O 62a_100000744512_100009817552 [0,1,0,0,0,0|3,0,0]=4 1098 B12R1.21 Cc1ccc(nn1)SC[C@@H](C)O 62a_100009817552_100000744512 [0,1,0,0,0,0|3,0,0]=4 1099 B12R1.21 Cc1cnc(cn1)NCC(C)O 27a_100000210904_100000074397 [0,1,0,0,0,0|3,0,0]=4 1100 B12R1.21 Cc1cnc(cn1)SCC(C)O 62a_100011218427_100011999403 [0,1,0,0,0,0|3,0,0]=4 1101 B12R1.21 Cc1cnc(cn1)SCC(C)O 62a_100011999403_100011218427 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.21 Cc1cnc(cn1)SC[C@@H](C)O 62a_100009817552_100011999403 [0,1,0,0,0,0|3,0,0]=4 1103 B12R1.21 Cc1cnc(cn1)SC[C@@H](C)O 62a_100011999403_100009817552 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.21 Cc1cnc(nc1)NCC(C)O 27a_100000210904_100000061069 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.21 Cc1cnc(nc1)SCC(C)O 62a_100000061069_100011218427 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.21 Cc1cnc(nc1)SCC(C)O 62a_100011218427_100000061069 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.21 Cc1cnc(nc1)SC[C@@H](C)O 62a_100000061069_100009817552 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.21 Cc1cnc(nc1)SC[C@@H](C)O 62a_100009817552_100000061069 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.21 Cc1ncc(cn1)OCC(C)O 34a_100000062939_100011218427 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.21 Cc1ncc(cn1)OCC(C)O 7a_100000062939_100011218427 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.21 Cc1ncc(cn1)OC[C@@H](C)O 34a_100000062939_100009817552 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.21 Cc1ncc(cn1)OC[C@@H](C)O 7a_100000062939_100009817552 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.21 Cc1ncc(cn1)SCC(C)O 62a_100000686985_100011218427 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.21 Cc1ncc(cn1)SCC(C)O 62a_100011218427_100000686985 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.21 Cc1ncc(cn1)SC[C@@H](C)O 62a_100000686985_100009817552 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.21 Cc1ncc(cn1)SC[C@@H](C)O 62a_100009817552_100000686985 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.21 FC(F)CNc1ccc(cc1)Br 2230a_100000210018_100011934356 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.21 FC(F)CNc1ccc(cc1)Br 34a_100000210018_100011934356 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.21 FC(F)CNc1ccc(cc1)Cl 2230a_100000210052_100011934356 [0,1,0,0,0,0|3,0,0]=4 1120 B12R1.21 FC(F)CNc1ccc(cc1)Cl 34a_100000210052_100011934356 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.21 FC(F)CNc1ccc(cc1)I 34a_100000185761_100011934356 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.21 FC(F)COc1ccc(cc1)Br 34a_100000185759_100011934356 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.21 FC(F)COc1ccc(cc1)Br 7a_100000185759_100011934356 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.21 FC(F)COc1ccc(cc1)Cl 34a_100000210216_100011934356 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.21 FC(F)COc1ccc(cc1)Cl 7a_100000210216_100011934356 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.21 FC(F)COc1ccc(cc1)I 34a_100000212066_100011934356 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.21 FC(F)COc1ccc(cc1)I 7a_100000212066_100011934356 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.21 FC(F)CSc1ccc(cc1)Br 62a_100000752885_100011934356 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.21 FC(F)CSc1ccc(cc1)Br 62a_100011934356_100000752885 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100000755918_100011934356 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100011934356_100000755918 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.21 Fc1ccc(cc1)NCC(F)F 34a_100000185862_100011934356 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.21 Fc1ccc(cc1)SCC(F)F 62a_100000211213_100011934356 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.21 Fc1ccc(cc1)SCC(F)F 62a_100011934356_100000211213 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,0,0|1,0,2]=4 1137 B12R1.21 Nc1ccc(cc1)OCC(F)F 34a_100000185829_100011934356 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.21 Nc1ccc(cc1)SCC(F)F 62a_100000185761_100011934356 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.21 Nc1ccc(cc1)SCC(F)F 62a_100011934356_100000185761 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.21 Oc1ccc(cc1)NCC(F)F 34a_100000185829_100011934356 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.21 Oc1ccc(cc1)SCC(F)F 62a_100011934356_100000185759 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,0|0,0,2]=3 1143 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,0|0,0,2]=3 1144 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,0|0,0,2]=3 1145 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,0|0,0,2]=3 1146 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,0|0,0,2]=3 1147 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,0|1,0,2]=4 1148 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,0|1,0,2]=4 1149 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,0|1,0,2]=4 1150 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,0|1,0,2]=4 1151 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,0|1,0,2]=4 1152 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,0,0|1,0,2]=4 1153 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,0|1,0,2]=4 1154 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,0,0|1,0,2]=4 1155 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,0|0,0,3]=4 1156 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,1,0,0,0,0|2,0,0]=3 1159 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.27 C#CC(C)NCc1ccccn1 2230a_100000707721_100000721315 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.27 C#CC(C)NCc1ccccn1 270004a_100000707721_100000209966 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.27 C#CC(C)NCc1ccccn1 34a_100000707721_100000721315 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.27 C#CC(C)NCc1cccnc1 2230a_100000707721_100000741622 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.27 C#CC(C)NCc1cccnc1 270004a_100000707721_100000209961 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.27 C#CC(C)NCc1cccnc1 34a_100000707721_100000733263 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.27 C#CC(C)NCc1ccncc1 2230a_100000707721_100015193705 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.27 C#CC(C)SCc1ccccn1 62a_200000035995_100000721315 [0,1,0,0,0,0|3,0,0]=4 1170 B12R1.27 C#CC(C)SCc1cccnc1 62a_200000035995_100000741622 [0,1,0,0,0,0|3,0,0]=4 1171 B12R1.27 C#CC(C)SCc1ccncc1 62a_200000035995_100015193705 [0,1,0,0,0,0|3,0,0]=4 1172 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,1,0,0,0,0|2,0,0]=3 1174 B12R1.27 C#C[C@@H](C)OCc1ccccn1 34a_100009815206_100000721315 [0,1,0,0,0,0|3,0,0]=4 1175 B12R1.27 C#C[C@@H](C)OCc1ccccn1 7a_100009815206_100000721315 [0,1,0,0,0,0|3,0,0]=4 1176 B12R1.27 C#C[C@@H](C)OCc1cccnc1 34a_100009815206_100000733263 [0,1,0,0,0,0|3,0,0]=4 1177 B12R1.27 C#C[C@@H](C)OCc1cccnc1 7a_100009815206_100000741622 [0,1,0,0,0,0|3,0,0]=4 1178 B12R1.27 C#C[C@@H](C)OCc1ccncc1 7a_100009815206_100015193705 [0,1,0,0,0,0|3,0,0]=4 1179 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,0|0,0,3]=4 1180 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,1,0,0,0,0|2,0,0]=3 1181 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.27 C=CC(C)OCc1cccnc1 34a_100000695699_100000733263 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,1,0,0,0,0|2,0,0]=3 1184 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.27 C=CC(C)SCc1cccnc1 62a_100011215867_100000741622 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.27 C=CC(C)SCc1ccncc1 62a_100011215867_100015193705 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,1,0,0,0,0|1,0,1]=3 1188 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,1,0,0,0,0|1,0,1]=3 1189 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,1,0,0,0,0|1,0,1]=3 1190 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [0,1,0,0,0,0|2,0,1]=4 1191 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [0,1,0,0,0,0|2,0,1]=4 1192 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [0,1,0,0,0,0|2,0,1]=4 1193 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,1,0,0,0,0|1,0,1]=3 1194 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,1,0,0,0,0|1,0,1]=3 1195 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,1,0,0,0,0|2,0,1]=4 1196 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,1,0,0,0,0|2,0,1]=4 1197 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000210063_100000730141 [0,1,0,0,0,0|2,0,1]=4 1198 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000730141_100000210063 [0,1,0,0,0,0|2,0,1]=4 1199 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000728582_100000730141 [0,1,0,0,0,0|2,0,1]=4 1200 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000730141_100000728582 [0,1,0,0,0,0|2,0,1]=4 1201 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,1,0,0,0,0|2,0,1]=4 1202 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,1,0,0,0,0|0,0,2]=3 1203 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,1,0,0,0,0|0,0,2]=3 1204 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,1,0,0,0,0|2,0,0]=3 1205 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,1,0,0,0,0|2,0,0]=3 1206 B12R1.27 CC(C#N)NCc1ccccn1 2230a_100000737613_100000721315 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.27 CC(C#N)NCc1cccnc1 2230a_100000737613_100000741622 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.27 CC(C#N)NCc1ccncc1 2230a_100000737613_100015193705 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,1,0,0,0,0|2,0,0]=3 1210 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,1,0,0,0,0|2,0,0]=3 1211 B12R1.27 CC(C#N)OCc1ccccn1 34a_100011218135_100000721315 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.27 CC(C#N)OCc1cccnc1 34a_100011218135_100000733263 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,1,0,0,0,0|2,0,0]=3 1214 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,1,0,0,0,0|2,0,0]=3 1215 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000703298_100000721315 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000721315_100000703298 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000703298_100000741622 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000741622_100000703298 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.27 CC(C#N)SCc1ccncc1 62a_100000703298_100015193705 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.27 CC(C#N)SCc1ccncc1 62a_100015193705_100000703298 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,1,0,0,0,0|1,0,0]=2 1222 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,1,0,0,0,0|1,0,0]=2 1223 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,1,0,0,0,0|2,0,0]=3 1224 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,1,0,0,0,0|2,0,0]=3 1225 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,1,0,0,0,0|3,0,0]=4 1226 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,1,0,0,0,0|3,0,0]=4 1227 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,1,0,0,0,0|3,0,0]=4 1228 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,1,0,0,0,0|3,0,0]=4 1229 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,1,0,0,0,0|3,0,0]=4 1230 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,0|2,0,0]=3 1231 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,1,0,0,0,0|3,0,0]=4 1232 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,1,0,0,0,0|3,0,0]=4 1233 B12R1.27 CC(CO)CNc1cccnn1 27a_100000744482_100016991348 [0,1,0,0,0,0|3,0,0]=4 1234 B12R1.27 CC(CO)CNc1ccncn1 27a_100000744482_100000703185 [0,1,0,0,0,0|3,0,0]=4 1235 B12R1.27 CC(CO)CNc1cnccn1 27a_100000744482_100000211759 [0,1,0,0,0,0|3,0,0]=4 1236 B12R1.27 CC(CO)CNc1ncccn1 27a_100000744482_100000211032 [0,1,0,0,0,0|3,0,0]=4 1237 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,1,0,0,0,0|1,0,0]=2 1238 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,1,0,0,0,0|1,0,0]=2 1239 B12R1.27 CC(CO)NCc1cccnn1 2230a_100159270163_100012180447 [0,1,0,0,0,0|3,0,0]=4 1240 B12R1.27 CC(CO)NCc1cncnc1 2230a_100011243677_100012180447 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,1,0,0,0,0|1,0,0]=2 1242 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,1,0,0,0,0|1,0,0]=2 1243 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,1,0,0,0,0|1,0,0]=2 1244 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,1,0,0,0,0|2,0,0]=3 1245 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,1,0,0,0,0|2,0,0]=3 1246 B12R1.27 CC(CO)SCc1cccnn1 62a_100012180447_100016990269 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,1,0,0,0,0|2,0,0]=3 1248 B12R1.27 CC(CO)SCc1cnccn1 62a_100012180447_100016995436 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.27 CC(CO)SCc1cncnc1 62a_100012180447_100015196519 [0,1,0,0,0,0|3,0,0]=4 1250 B12R1.27 CC(CO)SCc1ncccn1 62a_100012180447_100000703007 [0,1,0,0,0,0|3,0,0]=4 1251 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,1,0,0,0,0|2,0,0]=3 1252 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,1,0,0,0,0|2,0,0]=3 1253 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,1,0,0,0,0|1,0,0]=2 1254 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,1,0,0,0,0|1,0,0]=2 1255 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,0|0,0,2]=3 1256 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,0|0,0,2]=3 1257 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,0|1,0,2]=4 1258 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,0|1,0,2]=4 1259 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,0|1,0,2]=4 1260 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,0|1,0,2]=4 1261 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,0|1,0,2]=4 1262 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,0|1,0,2]=4 1263 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,0|1,0,2]=4 1264 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,0|1,0,2]=4 1265 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,0|1,0,2]=4 1266 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,0|1,0,2]=4 1267 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,0|1,0,2]=4 1268 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,0|1,0,2]=4 1269 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,0|1,0,2]=4 1270 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,0|1,0,2]=4 1271 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,0|1,0,2]=4 1272 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,1,0,0,0,0|2,0,0]=3 1273 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,1,0,0,0,0|2,0,0]=3 1274 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,1,0,0,0,0|2,0,0]=3 1275 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,1,0,0,0,0|3,0,0]=4 1276 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,1,0,0,0,0|3,0,0]=4 1277 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,1,0,0,0,0|3,0,0]=4 1278 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,1,0,0,0,0|2,0,0]=3 1280 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,1,0,0,0,0|3,0,0]=4 1281 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,1,0,0,0,0|3,0,0]=4 1283 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,1,0,0,0,0|3,0,0]=4 1285 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,1,0,0,0,0|3,0,0]=4 1286 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,1,0,0,0,0|2,0,0]=3 1287 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,1,0,0,0,0|2,0,0]=3 1288 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,1,0,0,0,0|2,0,0]=3 1289 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,1,0,0,0,0|2,0,0]=3 1290 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,1,0,0,0,0|2,0,0]=3 1291 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,1,0,0,0,0|3,0,0]=4 1292 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,1,0,0,0,0|3,0,0]=4 1293 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,1,0,0,0,0|3,0,0]=4 1294 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,1,0,0,0,0|3,0,0]=4 1295 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,1,0,0,0,0|3,0,0]=4 1296 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,1,0,0,0,0|3,0,0]=4 1297 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,1,0,0,0,0|3,0,0]=4 1298 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,1,0,0,0,0|3,0,0]=4 1299 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,0,0,0,0|2,0,0]=3 1302 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,1,0,0,0,0|3,0,0]=4 1303 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,1,0,0,0,0|3,0,0]=4 1304 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,1,0,0,0,0|3,0,0]=4 1305 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,1,0,0,0,0|2,0,0]=3 1306 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,1,0,0,0,0|2,0,0]=3 1307 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,1,0,0,0,0|3,0,0]=4 1308 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,1,0,0,0,0|3,0,0]=4 1310 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,1,0,0,0,0|3,0,0]=4 1311 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,1,0,0,0,0|3,0,0]=4 1312 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,1,0,0,0,0|1,0,0]=2 1314 B12R1.27 CCC(O)CNc1cccnn1 27a_100011218483_100016991348 [0,1,0,0,0,0|3,0,0]=4 1315 B12R1.27 CCC(O)CNc1ccncn1 27a_100011218483_100000703185 [0,1,0,0,0,0|3,0,0]=4 1316 B12R1.27 CCC(O)CNc1cnccn1 27a_100011218483_100000211759 [0,1,0,0,0,0|3,0,0]=4 1317 B12R1.27 CCC(O)CNc1ncccn1 27a_100011218483_100000211032 [0,1,0,0,0,0|3,0,0]=4 1318 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,0,0,0|1,0,0]=2 1319 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,0,0,0|1,0,0]=2 1320 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,1,0,0,0,0|2,0,0]=3 1321 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,1,0,0,0,0|2,0,0]=3 1322 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,1,0,0,0,0|2,0,0]=3 1323 B12R1.27 CCC(O)COc1ccnnc1 34a_100015204005_100011218378 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.27 CCC(O)COc1cncnc1 7a_100000754086_100011218378 [0,1,0,0,0,0|3,0,0]=4 1325 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,1,0,0,0,0|1,0,0]=2 1326 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,1,0,0,0,0|1,0,0]=2 1327 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,1,0,0,0,0|2,0,0]=3 1328 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,1,0,0,0,0|2,0,0]=3 1329 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,1,0,0,0,0|2,0,0]=3 1330 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,1,0,0,0,0|2,0,0]=3 1331 B12R1.27 CCC(O)CSc1cccnn1 62a_100011218378_100016991348 [0,1,0,0,0,0|3,0,0]=4 1332 B12R1.27 CCC(O)CSc1cccnn1 62a_100016991348_100011218378 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [0,1,0,0,0,0|2,0,0]=3 1334 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [0,1,0,0,0,0|2,0,0]=3 1335 B12R1.27 CCC(O)CSc1ccncn1 62a_100000703185_100011218378 [0,1,0,0,0,0|3,0,0]=4 1336 B12R1.27 CCC(O)CSc1ccncn1 62a_100011218378_100000703185 [0,1,0,0,0,0|3,0,0]=4 1337 B12R1.27 CCC(O)CSc1ccnnc1 62a_100000732662_100011218378 [0,1,0,0,0,0|3,0,0]=4 1338 B12R1.27 CCC(O)CSc1ccnnc1 62a_100011218378_100000732662 [0,1,0,0,0,0|3,0,0]=4 1339 B12R1.27 CCC(O)CSc1cnccn1 62a_100000211759_100011218378 [0,1,0,0,0,0|3,0,0]=4 1340 B12R1.27 CCC(O)CSc1cnccn1 62a_100011218378_100000211759 [0,1,0,0,0,0|3,0,0]=4 1341 B12R1.27 CCC(O)CSc1cncnc1 62a_100011206942_100011218378 [0,1,0,0,0,0|3,0,0]=4 1342 B12R1.27 CCC(O)CSc1cncnc1 62a_100011218378_100011206942 [0,1,0,0,0,0|3,0,0]=4 1343 B12R1.27 CCC(O)CSc1ncccn1 62a_100000211032_100011218378 [0,1,0,0,0,0|3,0,0]=4 1344 B12R1.27 CCC(O)CSc1ncccn1 62a_100011218378_100000211032 [0,1,0,0,0,0|3,0,0]=4 1345 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,1,0,0,0,0|2,0,0]=3 1346 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,1,0,0,0,0|2,0,0]=3 1347 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,1,0,0,0,0|2,0,0]=3 1348 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,1,0,0,0,0|2,0,0]=3 1349 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,1,0,0,0,0|2,0,0]=3 1350 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,1,0,0,0,0|2,0,0]=3 1351 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,1,0,0,0,0|3,0,0]=4 1352 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,1,0,0,0,0|3,0,0]=4 1353 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,1,0,0,0,0|3,0,0]=4 1355 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,1,0,0,0,0|3,0,0]=4 1356 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,1,0,0,0,0|3,0,0]=4 1357 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,1,0,0,0,0|3,0,0]=4 1358 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,1,0,0,0,0|3,0,0]=4 1359 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,1,0,0,0,0|3,0,0]=4 1360 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,1,0,0,0,0|3,0,0]=4 1363 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,1,0,0,0,0|3,0,0]=4 1364 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,1,0,0,0,0|3,0,0]=4 1365 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,1,0,0,0,0|3,0,0]=4 1366 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,1,0,0,0,0|3,0,0]=4 1367 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1368 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1369 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,1,0,0,0,0|3,0,0]=4 1370 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,1,0,0,0,0|3,0,0]=4 1371 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,1,0,0,0,0|2,0,0]=3 1372 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,1,0,0,0,0|2,0,0]=3 1373 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,1,0,0,0,0|2,0,0]=3 1374 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,1,0,0,0,0|2,0,0]=3 1378 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,1,0,0,0,0|2,0,0]=3 1379 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,1,0,0,0,0|3,0,0]=4 1383 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,1,0,0,0,0|3,0,0]=4 1384 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,1,0,0,0,0|3,0,0]=4 1385 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,1,0,0,0,0|2,0,0]=3 1386 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [0,1,0,0,0,0|3,0,0]=4 1387 B12R1.27 CN(CF)CCc1cccnc1 269982a_100000763209_100015361967 [0,1,0,0,0,0|3,0,0]=4 1388 B12R1.27 CN(CF)CCc1ccncc1 269982a_100000742850_100015361967 [0,1,0,0,0,0|3,0,0]=4 1389 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,0|0,0,2]=3 1390 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,0|0,0,2]=3 1391 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,0|0,0,2]=3 1392 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,0|0,0,2]=3 1393 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,0|1,0,2]=4 1394 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,0|1,0,2]=4 1395 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,0|1,0,2]=4 1396 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,1,0,0,0,0|1,0,2]=4 1397 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,1,0,0,0,0|1,0,2]=4 1398 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,1,0,0,0,0|1,0,2]=4 1399 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,1,0,0,0,0|1,0,2]=4 1400 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,1,0,0,0,0|1,0,2]=4 1401 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,1,0,0,0,0|1,0,2]=4 1402 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,1,0,0,0,0|1,0,2]=4 1403 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,1,0,0,0,0|1,0,2]=4 1404 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,1,0,0,0,0|1,0,2]=4 1405 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,1,0,0,0,0|1,0,2]=4 1406 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,1,0,0,0,0|1,0,2]=4 1407 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,1,0,0,0,0|1,0,2]=4 1408 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,1,0,0,0,0|1,0,2]=4 1409 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,1,0,0,0,0|1,0,2]=4 1410 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,1,0,0,0,0|1,0,2]=4 1411 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,1,0,0,0,0|1,0,2]=4 1412 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,1,0,0,0,0|1,0,2]=4 1413 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,1,0,0,0,0|1,0,2]=4 1414 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,1,0,0,0,0|1,0,2]=4 1415 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,1,0,0,0,0|1,0,2]=4 1416 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,0|1,0,2]=4 1417 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,0|1,0,2]=4 1418 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,0|1,0,2]=4 1419 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,0|1,0,2]=4 1420 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,0|1,0,2]=4 1421 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,0|1,0,2]=4 1422 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,1,0,0,0,0|1,0,0]=2 1423 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,1,0,0,0,0|1,0,0]=2 1424 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,1,0,0,0,0|1,0,0]=2 1425 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,1,0,0,0,0|2,0,0]=3 1426 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,1,0,0,0,0|2,0,0]=3 1427 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,1,0,0,0,0|2,0,0]=3 1428 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,1,0,0,0,0|2,0,0]=3 1429 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,1,0,0,0,0|1,0,2]=4 1430 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,1,0,0,0,0|1,0,2]=4 1431 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,1,0,0,0,0|1,0,2]=4 1432 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,1,0,0,0,0|1,0,2]=4 1433 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,1,0,0,0,0|1,0,2]=4 1434 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,1,0,0,0,0|0,0,2]=3 1435 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,1,0,0,0,0|0,0,2]=3 1436 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,1,0,0,0,0|1,0,0]=2 1437 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,1,0,0,0,0|1,0,0]=2 1438 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,1,0,0,0,0|1,0,0]=2 1439 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,1,0,0,0,0|1,0,0]=2 1440 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,1,0,0,0,0|2,0,0]=3 1441 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,1,0,0,0,0|2,0,0]=3 1442 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,1,0,0,0,0|2,0,0]=3 1443 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,1,0,0,0,0|2,0,0]=3 1444 B12R1.27 COC(C)SCc1cccnn1 62a_100009879195_100016990269 [0,1,0,0,0,0|3,0,0]=4 1445 B12R1.27 COC(C)SCc1cccnn1 62a_100016990269_100009879195 [0,1,0,0,0,0|3,0,0]=4 1446 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [0,1,0,0,0,0|2,0,0]=3 1447 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [0,1,0,0,0,0|2,0,0]=3 1448 B12R1.27 COC(C)SCc1cnccn1 62a_100009879195_100016995436 [0,1,0,0,0,0|3,0,0]=4 1449 B12R1.27 COC(C)SCc1cnccn1 62a_100016995436_100009879195 [0,1,0,0,0,0|3,0,0]=4 1450 B12R1.27 COC(C)SCc1cncnc1 62a_100009879195_100015196519 [0,1,0,0,0,0|3,0,0]=4 1451 B12R1.27 COC(C)SCc1cncnc1 62a_100015196519_100009879195 [0,1,0,0,0,0|3,0,0]=4 1452 B12R1.27 COC(C)SCc1ncccn1 62a_100000703007_100009879195 [0,1,0,0,0,0|3,0,0]=4 1453 B12R1.27 COC(C)SCc1ncccn1 62a_100009879195_100000703007 [0,1,0,0,0,0|3,0,0]=4 1454 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,0,0,0|0,0,0]=1 1455 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,0,0,0|0,0,0]=1 1456 B12R1.27 CO[C@H](C)CNc1cccnn1 27a_100020591295_100016991348 [0,1,0,0,0,0|3,0,0]=4 1457 B12R1.27 CO[C@H](C)CNc1ccncn1 27a_100020591295_100000703185 [0,1,0,0,0,0|3,0,0]=4 1458 B12R1.27 CO[C@H](C)CNc1cnccn1 27a_100020591295_100000211759 [0,1,0,0,0,0|3,0,0]=4 1459 B12R1.27 CO[C@H](C)CNc1ncccn1 27a_100020591295_100000211032 [0,1,0,0,0,0|3,0,0]=4 1460 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,0,0,0|0,0,0]=1 1461 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,0,0,0|0,0,0]=1 1462 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,1,0,0,0,0|1,0,0]=2 1463 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,1,0,0,0,0|1,0,0]=2 1464 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,1,0,0,0,0|1,0,0]=2 1465 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,1,0,0,0,0|2,0,0]=3 1466 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,1,0,0,0,0|2,0,0]=3 1467 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,1,0,0,0,0|2,0,0]=3 1468 B12R1.27 C[C@@H](CO)COc1ccnnc1 34a_100015204005_100000059175 [0,1,0,0,0,0|3,0,0]=4 1469 B12R1.27 C[C@@H](CO)COc1cncnc1 7a_100000754086_100000059175 [0,1,0,0,0,0|3,0,0]=4 1470 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,1,0,0,0,0|1,0,0]=2 1471 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,1,0,0,0,0|1,0,0]=2 1472 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,1,0,0,0,0|2,0,0]=3 1473 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,1,0,0,0,0|2,0,0]=3 1474 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,1,0,0,0,0|2,0,0]=3 1475 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,1,0,0,0,0|2,0,0]=3 1476 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100000059175_100016991348 [0,1,0,0,0,0|3,0,0]=4 1477 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100016991348_100000059175 [0,1,0,0,0,0|3,0,0]=4 1478 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,1,0,0,0,0|2,0,0]=3 1479 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,1,0,0,0,0|2,0,0]=3 1480 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000059175_100000703185 [0,1,0,0,0,0|3,0,0]=4 1481 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000703185_100000059175 [0,1,0,0,0,0|3,0,0]=4 1482 B12R1.27 C[C@@H](CO)CSc1ccnnc1 62a_100000059175_100000732662 [0,1,0,0,0,0|3,0,0]=4 1483 B12R1.27 C[C@@H](CO)CSc1ccnnc1 62a_100000732662_100000059175 [0,1,0,0,0,0|3,0,0]=4 1484 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000059175_100000211759 [0,1,0,0,0,0|3,0,0]=4 1485 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000211759_100000059175 [0,1,0,0,0,0|3,0,0]=4 1486 B12R1.27 C[C@@H](CO)CSc1cncnc1 62a_100000059175_100011206942 [0,1,0,0,0,0|3,0,0]=4 1487 B12R1.27 C[C@@H](CO)CSc1cncnc1 62a_100011206942_100000059175 [0,1,0,0,0,0|3,0,0]=4 1488 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000059175_100000211032 [0,1,0,0,0,0|3,0,0]=4 1489 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000211032_100000059175 [0,1,0,0,0,0|3,0,0]=4 1490 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,1,0,0,0,0|2,0,0]=3 1491 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,1,0,0,0,0|2,0,0]=3 1492 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,1,0,0,0,0|3,0,0]=4 1493 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,1,0,0,0,0|3,0,0]=4 1494 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,1,0,0,0,0|3,0,0]=4 1495 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,1,0,0,0,0|3,0,0]=4 1496 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,1,0,0,0,0|1,0,0]=2 1498 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,1,0,0,0,0|1,0,0]=2 1499 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,1,0,0,0,0|1,0,0]=2 1500 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,1,0,0,0,0|2,0,0]=3 1501 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,1,0,0,0,0|2,0,0]=3 1502 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,1,0,0,0,0|2,0,0]=3 1503 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,1,0,0,0,0|2,0,0]=3 1504 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,1,0,0,0,0|2,0,0]=3 1505 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,1,0,0,0,0|2,0,0]=3 1506 B12R1.27 C[C@H](CO)NCc1cccnn1 2230a_100000737577_100016990269 [0,1,0,0,0,0|3,0,0]=4 1507 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,1,0,0,0,0|2,0,0]=3 1508 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,1,0,0,0,0|2,0,0]=3 1509 B12R1.27 C[C@H](CO)NCc1ccnnc1 270004a_100000737577_100011934578 [0,1,0,0,0,0|3,0,0]=4 1510 B12R1.27 C[C@H](CO)NCc1cnccn1 2230a_100000737577_100016995436 [0,1,0,0,0,0|3,0,0]=4 1511 B12R1.27 C[C@H](CO)NCc1cnccn1 270004a_100000737577_100000749867 [0,1,0,0,0,0|3,0,0]=4 1512 B12R1.27 C[C@H](CO)NCc1cncnc1 2230a_100000737577_100015196519 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.27 C[C@H](CO)NCc1cncnc1 270004a_100000737577_100000749868 [0,1,0,0,0,0|3,0,0]=4 1514 B12R1.27 C[C@H](CO)NCc1ncccn1 2230a_100000737577_100000703007 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.27 C[C@H](CO)NCc1ncccn1 270004a_100000737577_100011532527 [0,1,0,0,0,0|3,0,0]=4 1516 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,1,0,0,0,0|1,0,0]=2 1517 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,1,0,0,0,0|1,0,0]=2 1518 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,1,0,0,0,0|2,0,0]=3 1519 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,1,0,0,0,0|2,0,0]=3 1520 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,1,0,0,0,0|2,0,0]=3 1521 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,1,0,0,0,0|2,0,0]=3 1522 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016084084_100016990269 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016990269_100016084084 [0,1,0,0,0,0|3,0,0]=4 1524 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,1,0,0,0,0|2,0,0]=3 1525 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,1,0,0,0,0|2,0,0]=3 1526 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016084084_100016995436 [0,1,0,0,0,0|3,0,0]=4 1527 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016995436_100016084084 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100015196519_100016084084 [0,1,0,0,0,0|3,0,0]=4 1529 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100016084084_100015196519 [0,1,0,0,0,0|3,0,0]=4 1530 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100000703007_100016084084 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100016084084_100000703007 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.27 N#CC(F)SCc1ccccc1 62a_100000211182_200000117898 [0,1,0,0,0,0|2,0,1]=4 1533 B12R1.27 N#CC(F)SCc1ccccc1 62a_200000117898_100015291786 [0,1,0,0,0,0|2,0,1]=4 1534 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,0|0,0,2]=3 1535 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,0|1,0,2]=4 1536 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,0,0,0,0|1,0,2]=4 1537 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,1,0,0,0,0|1,0,2]=4 1538 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,0|1,0,2]=4 1539 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,0|1,0,2]=4 1540 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,0|0,0,2]=3 1541 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,0|1,0,2]=4 1542 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,0|1,0,2]=4 1543 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,0|1,0,2]=4 1544 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,0|1,0,2]=4 1545 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,0|1,0,2]=4 1546 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,1,0,0,0,0|1,0,0]=2 1547 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,1,0,0,0,0|1,0,0]=2 1548 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,1,0,0,0,0|1,0,0]=2 1549 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [0,1,0,0,0,0|2,0,0]=3 1550 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [0,1,0,0,0,0|2,0,0]=3 1551 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [0,1,0,0,0,0|2,0,0]=3 1552 B12R1.27 OCC(O)COc1ccnnc1 34a_100015204005_100011219619 [0,1,0,0,0,0|3,0,0]=4 1553 B12R1.27 OCC(O)COc1cncnc1 7a_100000754086_100011219619 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,1,0,0,0,0|1,0,0]=2 1555 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,1,0,0,0,0|1,0,0]=2 1556 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,1,0,0,0,0|2,0,0]=3 1557 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,1,0,0,0,0|2,0,0]=3 1558 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [0,1,0,0,0,0|2,0,0]=3 1559 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [0,1,0,0,0,0|2,0,0]=3 1560 B12R1.27 OCC(O)CSc1cccnn1 62a_100011219619_100016991348 [0,1,0,0,0,0|3,0,0]=4 1561 B12R1.27 OCC(O)CSc1cccnn1 62a_100016991348_100011219619 [0,1,0,0,0,0|3,0,0]=4 1562 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [0,1,0,0,0,0|2,0,0]=3 1563 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [0,1,0,0,0,0|2,0,0]=3 1564 B12R1.27 OCC(O)CSc1ccncn1 62a_100000703185_100011219619 [0,1,0,0,0,0|3,0,0]=4 1565 B12R1.27 OCC(O)CSc1ccncn1 62a_100011219619_100000703185 [0,1,0,0,0,0|3,0,0]=4 1566 B12R1.27 OCC(O)CSc1ccnnc1 62a_100000732662_100011219619 [0,1,0,0,0,0|3,0,0]=4 1567 B12R1.27 OCC(O)CSc1ccnnc1 62a_100011219619_100000732662 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.27 OCC(O)CSc1cnccn1 62a_100000211759_100011219619 [0,1,0,0,0,0|3,0,0]=4 1569 B12R1.27 OCC(O)CSc1cnccn1 62a_100011219619_100000211759 [0,1,0,0,0,0|3,0,0]=4 1570 B12R1.27 OCC(O)CSc1cncnc1 62a_100011206942_100011219619 [0,1,0,0,0,0|3,0,0]=4 1571 B12R1.27 OCC(O)CSc1cncnc1 62a_100011219619_100011206942 [0,1,0,0,0,0|3,0,0]=4 1572 B12R1.27 OCC(O)CSc1ncccn1 62a_100000211032_100011219619 [0,1,0,0,0,0|3,0,0]=4 1573 B12R1.27 OCC(O)CSc1ncccn1 62a_100011219619_100000211032 [0,1,0,0,0,0|3,0,0]=4 1574 B12R1.27 OC[C@@H](O)CNc1cccnn1 27a_100020644852_100016991348 [0,1,0,0,0,0|3,0,0]=4 1575 B12R1.27 OC[C@@H](O)CNc1ccncn1 27a_100020644852_100000703185 [0,1,0,0,0,0|3,0,0]=4 1576 B12R1.27 OC[C@@H](O)CNc1cnccn1 27a_100020644852_100000211759 [0,1,0,0,0,0|3,0,0]=4 1577 B12R1.27 OC[C@@H](O)CNc1ncccn1 27a_100020644852_100000211032 [0,1,0,0,0,0|3,0,0]=4 1578 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,1,0,0,0,0|1,0,0]=2 1579 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,1,0,0,0,0|1,0,0]=2 1580 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,1,0,0,0,0|1,0,0]=2 1581 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [0,1,0,0,0,0|2,0,0]=3 1582 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [0,1,0,0,0,0|2,0,0]=3 1583 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [0,1,0,0,0,0|2,0,0]=3 1584 B12R1.27 OC[C@H](O)COc1ccnnc1 34a_100015204005_100009815848 [0,1,0,0,0,0|3,0,0]=4 1585 B12R1.27 OC[C@H](O)COc1cncnc1 7a_100000754086_100009815848 [0,1,0,0,0,0|3,0,0]=4 1586 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,1,0,0,0,0|1,0,0]=2 1587 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,1,0,0,0,0|1,0,0]=2 1588 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,1,0,0,0,0|2,0,0]=3 1589 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,1,0,0,0,0|2,0,0]=3 1590 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [0,1,0,0,0,0|2,0,0]=3 1591 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [0,1,0,0,0,0|2,0,0]=3 1592 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100009815848_100016991348 [0,1,0,0,0,0|3,0,0]=4 1593 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100016991348_100009815848 [0,1,0,0,0,0|3,0,0]=4 1594 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [0,1,0,0,0,0|2,0,0]=3 1595 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [0,1,0,0,0,0|2,0,0]=3 1596 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100000703185_100009815848 [0,1,0,0,0,0|3,0,0]=4 1597 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100009815848_100000703185 [0,1,0,0,0,0|3,0,0]=4 1598 B12R1.27 OC[C@H](O)CSc1ccnnc1 62a_100000732662_100009815848 [0,1,0,0,0,0|3,0,0]=4 1599 B12R1.27 OC[C@H](O)CSc1ccnnc1 62a_100009815848_100000732662 [0,1,0,0,0,0|3,0,0]=4 1600 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100000211759_100009815848 [0,1,0,0,0,0|3,0,0]=4 1601 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100009815848_100000211759 [0,1,0,0,0,0|3,0,0]=4 1602 B12R1.27 OC[C@H](O)CSc1cncnc1 62a_100009815848_100011206942 [0,1,0,0,0,0|3,0,0]=4 1603 B12R1.27 OC[C@H](O)CSc1cncnc1 62a_100011206942_100009815848 [0,1,0,0,0,0|3,0,0]=4 1604 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100000211032_100009815848 [0,1,0,0,0,0|3,0,0]=4 1605 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100009815848_100000211032 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,1,0,0,0,0|1,0,0]=2 1607 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,1,0,0,0,0|1,0,0]=2 1608 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,1,0,0,0,0|1,0,0]=2 1609 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [0,1,0,0,0,0|2,0,0]=3 1610 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [0,1,0,0,0,0|2,0,0]=3 1611 B12R1.27 O[C@@H](CF)COc1ccncc1 34a_100000212176_100015614560 [0,1,0,0,0,0|2,0,0]=3 1612 B12R1.27 O[C@@H](CF)COc1ccnnc1 34a_100015204005_100015614560 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.27 O[C@@H](CF)COc1cncnc1 7a_100000754086_100015614560 [0,1,0,0,0,0|3,0,0]=4 1614 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,1,0,0,0,0|1,0,0]=2 1615 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,1,0,0,0,0|1,0,0]=2 1616 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,1,0,0,0,0|2,0,0]=3 1617 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,1,0,0,0,0|2,0,0]=3 1618 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100000210063_100015614560 [0,1,0,0,0,0|2,0,0]=3 1619 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100015614560_100000210063 [0,1,0,0,0,0|2,0,0]=3 1620 B12R1.27 O[C@@H](CF)CSc1cccnn1 62a_100015614560_100016991348 [0,1,0,0,0,0|3,0,0]=4 1621 B12R1.27 O[C@@H](CF)CSc1cccnn1 62a_100016991348_100015614560 [0,1,0,0,0,0|3,0,0]=4 1622 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100000728582_100015614560 [0,1,0,0,0,0|2,0,0]=3 1623 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100015614560_100000728582 [0,1,0,0,0,0|2,0,0]=3 1624 B12R1.27 O[C@@H](CF)CSc1ccncn1 62a_100000703185_100015614560 [0,1,0,0,0,0|3,0,0]=4 1625 B12R1.27 O[C@@H](CF)CSc1ccncn1 62a_100015614560_100000703185 [0,1,0,0,0,0|3,0,0]=4 1626 B12R1.27 O[C@@H](CF)CSc1ccnnc1 62a_100000732662_100015614560 [0,1,0,0,0,0|3,0,0]=4 1627 B12R1.27 O[C@@H](CF)CSc1ccnnc1 62a_100015614560_100000732662 [0,1,0,0,0,0|3,0,0]=4 1628 B12R1.27 O[C@@H](CF)CSc1cnccn1 62a_100000211759_100015614560 [0,1,0,0,0,0|3,0,0]=4 1629 B12R1.27 O[C@@H](CF)CSc1cnccn1 62a_100015614560_100000211759 [0,1,0,0,0,0|3,0,0]=4 1630 B12R1.27 O[C@@H](CF)CSc1cncnc1 62a_100011206942_100015614560 [0,1,0,0,0,0|3,0,0]=4 1631 B12R1.27 O[C@@H](CF)CSc1cncnc1 62a_100015614560_100011206942 [0,1,0,0,0,0|3,0,0]=4 1632 B12R1.27 O[C@@H](CF)CSc1ncccn1 62a_100000211032_100015614560 [0,1,0,0,0,0|3,0,0]=4 1633 B12R1.27 O[C@@H](CF)CSc1ncccn1 62a_100015614560_100000211032 [0,1,0,0,0,0|3,0,0]=4 1634 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,0|1,0,2]=4 1635 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,0|0,0,2]=3 1636 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,0|0,0,2]=3 1637 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,0|1,0,2]=4 1638 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,0|1,0,2]=4 1639 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,0|1,0,2]=4 1640 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,0|1,0,2]=4 1641 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,0|1,0,2]=4 1642 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,0|1,0,2]=4 1643 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,0|1,0,2]=4 1644 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,0|1,0,2]=4 1645 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,0|1,0,2]=4 1646 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,0|1,0,2]=4 1647 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,0|0,0,2]=3 1648 B12R1.43 CC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000210206 [0,1,0,0,0,0|2,0,1]=4 1649 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,0|1,0,1]=3 1650 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [0,1,0,0,0,0|2,0,1]=4 1651 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [0,1,0,0,0,0|2,0,1]=4 1652 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [0,1,0,0,0,0|2,0,1]=4 1653 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [0,1,0,0,0,0|2,0,1]=4 1654 B12R1.43 CC(C)C(=O)Cc1ccncc1 1458a_100000210198_100000705612 [0,1,0,0,0,0|2,0,1]=4 1655 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,0,0,0,0|2,0,1]=4 1656 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,0,0,0,0|2,0,1]=4 1657 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,0,0,0,0|2,0,1]=4 1658 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,0,0,0,0|2,0,1]=4 1659 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,1,0,0,0,0|2,0,0]=3 1660 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,1,0,0,0,0|2,0,0]=3 1661 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,1,0,0,0,0|2,0,0]=3 1662 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,1,0,0,0,0|2,0,0]=3 1663 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,1,0,0,0,0|2,0,0]=3 1664 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,1,0,0,0,0|2,0,0]=3 1665 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000200191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1666 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000207498_100000210206 [0,1,0,0,0,0|3,0,0]=4 1667 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000200191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1668 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000207498_100000210206 [0,1,0,0,0,0|3,0,0]=4 1669 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_200000211004_100000721315 [0,1,0,0,0,0|3,0,0]=4 1670 B12R1.43 CC(C)N(C)Cc1ccccn1 270004a_200000211004_100000209966 [0,1,0,0,0,0|3,0,0]=4 1671 B12R1.43 CC(C)N(C)Cc1cccnc1 2230a_100000184577_100000210206 [0,1,0,0,0,0|3,0,0]=4 1672 B12R1.43 CC(C)N(C)Cc1cccnc1 2230a_100000200193_200000210301 [0,1,0,0,0,0|3,0,0]=4 1673 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_100000184577_100000210206 [0,1,0,0,0,0|3,0,0]=4 1674 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_100000200193_200000210301 [0,1,0,0,0,0|3,0,0]=4 1675 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_200000211004_100000733263 [0,1,0,0,0,0|3,0,0]=4 1676 B12R1.43 CC(C)N(C)Cc1cccnc1 270004a_200000211004_100000209961 [0,1,0,0,0,0|3,0,0]=4 1677 B12R1.43 CC(C)N(C)Cc1ccncc1 2230a_100000187231_100000210206 [0,1,0,0,0,0|3,0,0]=4 1678 B12R1.43 CC(C)N(C)Cc1ccncc1 269982a_100000187231_100000210206 [0,1,0,0,0,0|3,0,0]=4 1679 B12R1.43 CC(C)N(C)Cc1ccncc1 269982a_200000211004_100015193705 [0,1,0,0,0,0|3,0,0]=4 1680 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,1,0,0,0,0|2,0,0]=3 1681 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,1,0,0,0,0|2,0,0]=3 1682 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 2230a_100000200191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1683 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 269982a_100000200191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1684 B12R1.43 CC(C)N([13CH3])Cc1cccnc1 2230a_100000200193_200025704644 [0,1,0,0,0,0|3,0,0]=4 1685 B12R1.43 CC(C)N([13CH3])Cc1cccnc1 269982a_100000200193_200025704644 [0,1,0,0,0,0|3,0,0]=4 1686 B12R1.43 CC(C[n+]1ccccc1)N(C)C 270004a_100102631434_100000034229 [0,1,0,0,0,0|3,0,0]=4 1687 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,0|0,0,2]=3 1688 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,1,0,0,0,0|2,0,0]=3 1689 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,0|1,0,2]=4 1690 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [0,1,0,0,0,0|3,0,0]=4 1691 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [0,1,0,0,0,0|3,0,0]=4 1692 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [0,1,0,0,0,0|3,0,0]=4 1693 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [0,1,0,0,0,0|3,0,0]=4 1694 B12R1.43 CC(Cc1cccnc1)N(C)C 270004a_100102631434_100015187140 [0,1,0,0,0,0|3,0,0]=4 1695 B12R1.43 CC(Cc1ccncc1)N(C)C 270004a_100102631434_100000238508 [0,1,0,0,0,0|3,0,0]=4 1696 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,0|1,0,1]=3 1697 B12R1.43 CC(F)C(=O)Cc1ccccn1 1458a_100000062450_100000721315 [0,1,0,0,0,0|2,0,1]=4 1698 B12R1.43 CC(F)C(=O)Cc1cccnc1 1458a_100000062450_100000733263 [0,1,0,0,0,0|2,0,1]=4 1699 B12R1.43 CC(F)C(=O)Cc1ccncc1 1458a_100000062450_100000705612 [0,1,0,0,0,0|2,0,1]=4 1700 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,1,0,0,0,0|2,0,1]=4 1701 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,1,0,0,0,0|2,0,1]=4 1702 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,1,0,0,0,0|2,0,1]=4 1703 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,1,0,0,0,0|2,0,1]=4 1704 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,0|1,0,2]=4 1705 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,0|1,0,2]=4 1706 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,0|0,0,1]=2 1707 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,0,0,0,0|1,0,1]=3 1708 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,1,0,0,0,0|1,0,1]=3 1709 B12R1.43 C[C@@H](O)C(=O)Cc1cccnn1 1458a_100000717761_100016990269 [0,1,0,0,0,0|2,0,1]=4 1710 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,1,0,0,0,0|1,0,1]=3 1711 B12R1.43 C[C@@H](O)C(=O)Cc1cnccn1 1458a_100000717761_100016995436 [0,1,0,0,0,0|2,0,1]=4 1712 B12R1.43 C[C@@H](O)C(=O)Cc1cncnc1 1458a_100000717761_100015196519 [0,1,0,0,0,0|2,0,1]=4 1713 B12R1.43 C[C@@H](O)C(=O)Cc1ncccn1 1458a_100000717761_100000703007 [0,1,0,0,0,0|2,0,1]=4 1714 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,0,0,0,0|1,0,1]=3 1715 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,0|0,0,1]=2 1716 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,0,0,0,0|1,0,1]=3 1717 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,1,0,0,0,0|1,0,1]=3 1718 B12R1.43 C[C@H](O)C(=O)Cc1cccnn1 1458a_217856618621_100016990269 [0,1,0,0,0,0|2,0,1]=4 1719 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,1,0,0,0,0|1,0,1]=3 1720 B12R1.43 C[C@H](O)C(=O)Cc1cnccn1 1458a_217856618621_100016995436 [0,1,0,0,0,0|2,0,1]=4 1721 B12R1.43 C[C@H](O)C(=O)Cc1cncnc1 1458a_217856618621_100015196519 [0,1,0,0,0,0|2,0,1]=4 1722 B12R1.43 C[C@H](O)C(=O)Cc1ncccn1 1458a_217856618621_100000703007 [0,1,0,0,0,0|2,0,1]=4 1723 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,0,0,0,0|1,0,1]=3 1724 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,0,0,0,0|1,0,1]=3 1725 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,0,0,0,0|1,0,1]=3 1726 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,1,0,0,0,0|2,0,1]=4 1727 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,1,0,0,0,0|2,0,1]=4 1728 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,1,0,0,0,0|2,0,1]=4 1729 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,0,0,0,0|2,0,1]=4 1730 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,0|0,0,2]=3 1731 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,0,0,0,0|1,0,2]=4 1732 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,1,0,0,0,0|2,0,1]=4 1733 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,1,0,0,0,0|2,0,1]=4 1734 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,1,0,0,0,0|2,0,1]=4 1735 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,0|0,0,3]=4 1736 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,0|0,0,2]=3 1737 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,0|0,0,2]=3 1738 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,0|0,0,2]=3 1739 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,0|0,0,2]=3 1740 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,0|1,0,2]=4 1741 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,0|0,0,2]=3 1742 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,0|1,0,2]=4 1743 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,0|1,0,2]=4 1744 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,0|1,0,2]=4 1745 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,0|1,0,2]=4 1746 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,1,0,0,0,0|1,0,1]=3 1747 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,1,0,0,0,0|2,0,0]=3 1748 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,1,0,0,0,0|2,0,0]=3 1749 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,1,0,0,0,0|2,0,0]=3 1750 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,1,0,0,0,0|1,0,0]=2 1751 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,1,0,0,0,0|2,0,0]=3 1752 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,1,0,0,0,0|2,0,0]=3 1753 B12R1.107 CC(C)C[C@H](N)c1cccnn1 271570a_100015190218_100016991348 [0,1,0,0,0,0|3,0,0]=4 1754 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,1,0,0,0,0|2,0,0]=3 1755 B12R1.107 CC(C)C[C@H](N)c1ccncn1 271570a_100015190218_100000703185 [0,1,0,0,0,0|3,0,0]=4 1756 B12R1.107 CC(C)C[C@H](N)c1ccnnc1 271570a_100015190218_100000732662 [0,1,0,0,0,0|3,0,0]=4 1757 B12R1.107 CC(C)C[C@H](N)c1cnccn1 271570a_100015190218_100000758340 [0,1,0,0,0,0|3,0,0]=4 1758 B12R1.107 CC(C)C[C@H](N)c1cncnc1 271570a_100015190218_100011206942 [0,1,0,0,0,0|3,0,0]=4 1759 B12R1.107 CC(C)C[C@H](N)c1ncccn1 271570a_100015190218_100000211032 [0,1,0,0,0,0|3,0,0]=4 1760 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,1,0,0,0,0|2,0,1]=4 1761 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,1,0,0,0,0|2,0,1]=4 1762 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,1,0,0,0,0|2,0,1]=4 1763 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,1,0,0,0,0|2,0,1]=4 1764 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,1,0,0,0,0|2,0,0]=3 1765 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,1,0,0,0,0|2,0,0]=3 1766 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,1,0,0,0,0|3,0,0]=4 1767 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [0,1,0,0,0,0|3,0,0]=4 1768 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [0,1,0,0,0,0|3,0,0]=4 1769 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,1,0,0,0,0|2,0,0]=3 1770 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,1,0,0,0,0|2,0,0]=3 1771 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,1,0,0,0,0|2,0,0]=3 1772 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,1,0,0,0,0|2,0,0]=3 1773 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,1,0,0,0,0|2,0,0]=3 1774 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,1,0,0,0,0|2,0,0]=3 1775 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,0|0,0,2]=3 1776 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,1,0,0,0,0|2,0,0]=3 1777 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,1,0,0,0,0|2,0,0]=3 1778 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,1,0,0,0,0|2,0,0]=3 1779 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,0|0,0,1]=2 1780 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,1,0,0,0,0|1,0,0]=2 1781 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,1,0,0,0,0|1,0,0]=2 1782 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,1,0,0,0,0|1,0,0]=2 1783 B12R1.107 CC(O)CN(C)c1cccnn1 27a_100000227577_100016991348 [0,1,0,0,0,0|3,0,0]=4 1784 B12R1.107 CC(O)CN(C)c1ccncn1 27a_100000227577_100000703185 [0,1,0,0,0,0|3,0,0]=4 1785 B12R1.107 CC(O)CN(C)c1cnccn1 27a_100000227577_100000211759 [0,1,0,0,0,0|3,0,0]=4 1786 B12R1.107 CC(O)CN(C)c1ncccn1 27a_100000227577_100000211032 [0,1,0,0,0,0|3,0,0]=4 1787 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,1,0,0,0,0|2,0,1]=4 1788 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,1,0,0,0,0|2,0,0]=3 1789 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,1,0,0,0,0|2,0,0]=3 1790 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,1,0,0,0,0|2,0,0]=3 1791 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,1,0,0,0,0|3,0,0]=4 1792 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,1,0,0,0,0|2,0,0]=3 1793 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,0,0|2,0,1]=4 1794 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,0|1,0,2]=4 1795 B12R1.107 CN(CC(F)F)c1ccccc1 2230a_100000210012_100011934356 [0,1,0,0,0,0|3,0,0]=4 1796 B12R1.107 CN(CC(F)F)c1ccccc1 269982a_100000210012_100011934356 [0,1,0,0,0,0|3,0,0]=4 1797 B12R1.107 CN(CC(F)F)c1ccccc1 34a_100000210012_100011934356 [0,1,0,0,0,0|3,0,0]=4 1798 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,1,0,0,0,0|2,0,0]=3 1799 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,1,0,0,0,0|2,0,0]=3 1800 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,1,0,0,0,0|1,0,0]=2 1801 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,1,0,0,0,0|1,0,0]=2 1802 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,1,0,0,0,0|1,0,0]=2 1803 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,1,0,0,0,0|2,0,1]=4 1804 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,0|0,0,2]=3 1805 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,0,0|2,0,1]=4 1806 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [0,1,0,0,0,0|2,0,1]=4 1807 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,1,0,0,0,0|2,0,1]=4 1808 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [0,1,0,0,0,0|2,0,1]=4 1809 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [0,1,0,0,0,0|2,0,1]=4 1810 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [0,1,0,0,0,0|2,0,1]=4 1811 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,1,0,0,0,0|2,0,1]=4 1812 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,1,0,0,0,0|2,0,1]=4 1813 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,1,0,0,0,0|2,0,1]=4 1814 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,1,0,0,0,0|2,0,1]=4 1815 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,1,0,0,0,0|2,0,1]=4 1816 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,1,0,0,0,0|2,0,1]=4 1817 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,1,0,0,0,0|2,0,1]=4 1818 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,1,0,0,0,0|2,0,1]=4 1819 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,1,0,0,0,0|2,0,1]=4 1820 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,1,0,0,0,0|2,0,1]=4 1821 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,1,0,0,0,0|2,0,1]=4 1822 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,1,0,0,0,0|2,0,1]=4 1823 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,1,0,0,0,0|2,0,1]=4 1824 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [0,1,0,0,0,0|2,0,1]=4 1825 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [0,1,0,0,0,0|2,0,1]=4 1826 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,1,0,0,0,0|2,0,1]=4 1827 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,1,0,0,0,0|2,0,1]=4 1828 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [0,1,0,0,0,0|2,0,1]=4 1829 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [0,1,0,0,0,0|2,0,1]=4 1830 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [0,1,0,0,0,0|2,0,1]=4 1831 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [0,1,0,0,0,0|2,0,1]=4 1832 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [0,1,0,0,0,0|2,0,1]=4 1833 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [0,1,0,0,0,0|2,0,1]=4 1834 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,1,0,0,0,0|2,0,1]=4 1835 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,1,0,0,0,0|2,0,1]=4 1836 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,0|0,0,2]=3 1837 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,0|0,0,2]=3 1838 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,0|0,0,2]=3 1839 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,0|0,0,2]=3 1840 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,0|0,0,2]=3 1841 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,0|0,0,2]=3 1842 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,0|0,0,2]=3 1843 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,0|0,0,2]=3 1844 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,0|0,0,2]=3 1845 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,0|0,0,2]=3 1846 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,0|0,0,2]=3 1847 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,0,0,0|1,0,2]=4 1848 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,0|1,0,2]=4 1849 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,0|1,0,2]=4 1850 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,0|1,0,2]=4 1851 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,0|1,0,2]=4 1852 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,0|1,0,2]=4 1853 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,0|1,0,2]=4 1854 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,0|1,0,2]=4 1855 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,0|1,0,2]=4 1856 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,0|1,0,2]=4 1857 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,0|1,0,2]=4 1858 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,0|1,0,2]=4 1859 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,0|1,0,2]=4 1860 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,0|1,0,2]=4 1861 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,0|1,0,2]=4 1862 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,0|1,0,2]=4 1863 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,0|1,0,2]=4 1864 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,0|1,0,2]=4 1865 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,0|1,0,2]=4 1866 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,0|1,0,2]=4 1867 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,0|1,0,2]=4 1868 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,0|1,0,2]=4 1869 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,0|1,0,2]=4 1870 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,0|1,0,2]=4 1871 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,0|1,0,2]=4 1872 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,0|1,0,2]=4 1873 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,0|1,0,2]=4 1874 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,0|1,0,2]=4 1875 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,0|1,0,2]=4 1876 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,0|1,0,2]=4 1877 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,0|1,0,2]=4 1878 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,0|1,0,2]=4 1879 B12R1.125 CC(C)C=Cc1ccccc1Br 271570a_100016257149_100000695589 [0,1,0,0,0,0|1,0,2]=4 1880 B12R1.125 CC(C)C=Cc1ccccc1Cl 271570a_100016257149_100000764095 [0,1,0,0,0,0|1,0,2]=4 1881 B12R1.125 CC(C)C=Cc1ccccc1F 271570a_100016257149_100011215700 [0,1,0,0,0,0|1,0,2]=4 1882 B12R1.125 CC(C)C=Cc1ccccc1N 271570a_100016257149_100000210017 [0,1,0,0,0,0|1,0,2]=4 1883 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,1,0,0,0,0|1,0,2]=4 1884 B12R1.125 CC(C)CCc1ncncc1O 271570a_203496583355_200009816994 [0,1,0,0,0,0|3,0,0]=4 1885 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [0,1,0,0,0,0|2,0,0]=3 1886 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [0,1,0,0,0,0|2,0,0]=3 1887 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [0,1,0,0,0,0|2,0,0]=3 1888 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [0,1,0,0,0,0|2,0,0]=3 1889 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [0,1,0,0,0,0|2,0,0]=3 1890 B12R1.125 CC(C)CNc1ccncc1Br 27a_100000210953_100000726257 [0,1,0,0,0,0|3,0,0]=4 1891 B12R1.125 CC(C)CNc1ccncc1F 27a_100000210953_100000035921 [0,1,0,0,0,0|3,0,0]=4 1892 B12R1.125 CC(C)CNc1ncccc1Br 27a_100000210953_100000696092 [0,1,0,0,0,0|3,0,0]=4 1893 B12R1.125 CC(C)COc1cccc[n+]1[O-] 7a_100000211761_100000210760 [0,1,0,0,0,0|3,0,0]=4 1894 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,1,0,0,0,0|2,0,0]=3 1895 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,1,0,0,0,0|2,0,0]=3 1896 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,1,0,0,0,0|2,0,0]=3 1897 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,1,0,0,0,0|2,0,0]=3 1898 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,1,0,0,0,0|2,0,0]=3 1899 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,1,0,0,0,0|2,0,0]=3 1900 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,1,0,0,0,0|2,0,0]=3 1901 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,1,0,0,0,0|2,0,0]=3 1902 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,1,0,0,0,0|2,0,0]=3 1903 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,1,0,0,0,0|2,0,0]=3 1904 B12R1.125 CC(C)COc1cccnc1Br 34a_100000744436_100000210624 [0,1,0,0,0,0|3,0,0]=4 1905 B12R1.125 CC(C)COc1cccnc1Br 7a_100000744436_100000210760 [0,1,0,0,0,0|3,0,0]=4 1906 B12R1.125 CC(C)COc1cccnc1Cl 34a_100000757616_100000210624 [0,1,0,0,0,0|3,0,0]=4 1907 B12R1.125 CC(C)COc1cccnc1Cl 7a_100000757616_100000210760 [0,1,0,0,0,0|3,0,0]=4 1908 B12R1.125 CC(C)COc1cccnc1F 34a_100000061740_100000210624 [0,1,0,0,0,0|3,0,0]=4 1909 B12R1.125 CC(C)COc1cccnc1F 7a_100000061740_100000210760 [0,1,0,0,0,0|3,0,0]=4 1910 B12R1.125 CC(C)COc1cccnc1I 34a_100000034122_100000210624 [0,1,0,0,0,0|3,0,0]=4 1911 B12R1.125 CC(C)COc1cccnc1I 7a_100000034122_100000210760 [0,1,0,0,0,0|3,0,0]=4 1912 B12R1.125 CC(C)COc1cccnc1N 34a_100000211975_100000210624 [0,1,0,0,0,0|3,0,0]=4 1913 B12R1.125 CC(C)COc1cccnc1N 7a_100000211975_100000210760 [0,1,0,0,0,0|3,0,0]=4 1914 B12R1.125 CC(C)COc1cccoc1=O 34a_100000077404_100000210624 [0,1,0,0,0,0|3,0,0]=4 1915 B12R1.125 CC(C)COc1cccoc1=O 7a_100000077404_100000210760 [0,1,0,0,0,0|3,0,0]=4 1916 B12R1.125 CC(C)COc1ccncc1Br 34a_100011996408_100000210624 [0,1,0,0,0,0|3,0,0]=4 1917 B12R1.125 CC(C)COc1ccncc1Cl 34a_100011997054_100000210624 [0,1,0,0,0,0|3,0,0]=4 1918 B12R1.125 CC(C)COc1ccncc1F 34a_200000081243_100000210624 [0,1,0,0,0,0|3,0,0]=4 1919 B12R1.125 CC(C)COc1cnccc1Cl 34a_100011996695_100000210624 [0,1,0,0,0,0|3,0,0]=4 1920 B12R1.125 CC(C)COc1cnccc1I 34a_100000050107_100000210624 [0,1,0,0,0,0|3,0,0]=4 1921 B12R1.125 CC(C)COc1cnccc1N 34a_100000753702_100000210624 [0,1,0,0,0,0|3,0,0]=4 1922 B12R1.125 CC(C)COc1coccc1=O 34a_100000060831_100000210624 [0,1,0,0,0,0|3,0,0]=4 1923 B12R1.125 CC(C)COc1ncccc1Cl 34a_100011290957_100000210624 [0,1,0,0,0,0|3,0,0]=4 1924 B12R1.125 CC(C)COc1ncccc1F 34a_100011219419_100000210624 [0,1,0,0,0,0|3,0,0]=4 1925 B12R1.125 CC(C)COc1ncccc1N 34a_100000746358_100000210624 [0,1,0,0,0,0|3,0,0]=4 1926 B12R1.125 CC(C)CSc1c[nH]ccc1=O 62a_100000210624_100009998708 [0,1,0,0,0,0|3,0,0]=4 1927 B12R1.125 CC(C)CSc1c[nH]ccc1=O 62a_100009998708_100000210760 [0,1,0,0,0,0|3,0,0]=4 1928 B12R1.125 CC(C)CSc1c[nH]ccc1=S 62a_100000210624_200012280681 [0,1,0,0,0,0|3,0,0]=4 1929 B12R1.125 CC(C)CSc1c[nH]ccc1=S 62a_200012280681_100000210760 [0,1,0,0,0,0|3,0,0]=4 1930 B12R1.125 CC(C)CSc1cccc[n+]1C 62a_100000210624_100000212160 [0,1,0,0,0,0|3,0,0]=4 1931 B12R1.125 CC(C)CSc1cccc[n+]1[O-] 62a_100000210624_200000042595 [0,1,0,0,0,0|3,0,0]=4 1932 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000210624_100000695589 [0,1,0,0,0,0|2,0,0]=3 1933 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000695589_100000210760 [0,1,0,0,0,0|2,0,0]=3 1934 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000210624_100000764095 [0,1,0,0,0,0|2,0,0]=3 1935 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000764095_100000210760 [0,1,0,0,0,0|2,0,0]=3 1936 B12R1.125 CC(C)CSc1ccccc1F 62a_100000210624_100011215700 [0,1,0,0,0,0|2,0,0]=3 1937 B12R1.125 CC(C)CSc1ccccc1F 62a_100011215700_100000210760 [0,1,0,0,0,0|2,0,0]=3 1938 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210017_100000210760 [0,1,0,0,0,0|2,0,0]=3 1939 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210624_100000210017 [0,1,0,0,0,0|2,0,0]=3 1940 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [0,1,0,0,0,0|2,0,0]=3 1941 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [0,1,0,0,0,0|2,0,0]=3 1942 B12R1.125 CC(C)CSc1cccnc1Br 62a_100000210624_100010202626 [0,1,0,0,0,0|3,0,0]=4 1943 B12R1.125 CC(C)CSc1cccnc1Br 62a_100010202626_100000210760 [0,1,0,0,0,0|3,0,0]=4 1944 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000036424_100000210760 [0,1,0,0,0,0|3,0,0]=4 1945 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000210624_100000036424 [0,1,0,0,0,0|3,0,0]=4 1946 B12R1.125 CC(C)CSc1cccnc1F 62a_100000210624_100009816115 [0,1,0,0,0,0|3,0,0]=4 1947 B12R1.125 CC(C)CSc1cccnc1F 62a_100009816115_100000210760 [0,1,0,0,0,0|3,0,0]=4 1948 B12R1.125 CC(C)CSc1cccnc1N 62a_100000045569_100000210760 [0,1,0,0,0,0|3,0,0]=4 1949 B12R1.125 CC(C)CSc1cccnc1N 62a_100000210624_100000045569 [0,1,0,0,0,0|3,0,0]=4 1950 B12R1.125 CC(C)CSc1cccnc1O 62a_100000210624_100000760158 [0,1,0,0,0,0|3,0,0]=4 1951 B12R1.125 CC(C)CSc1cccnc1O 62a_100000760158_100000210760 [0,1,0,0,0,0|3,0,0]=4 1952 B12R1.125 CC(C)CSc1ccncc1Br 62a_100000210624_100000726257 [0,1,0,0,0,0|3,0,0]=4 1953 B12R1.125 CC(C)CSc1ccncc1Br 62a_100000726257_100000210760 [0,1,0,0,0,0|3,0,0]=4 1954 B12R1.125 CC(C)CSc1ccncc1Cl 62a_100000210624_100000708259 [0,1,0,0,0,0|3,0,0]=4 1955 B12R1.125 CC(C)CSc1ccncc1Cl 62a_100000708259_100000210760 [0,1,0,0,0,0|3,0,0]=4 1956 B12R1.125 CC(C)CSc1ccncc1F 62a_100000047030_100000210760 [0,1,0,0,0,0|3,0,0]=4 1957 B12R1.125 CC(C)CSc1ccncc1F 62a_100000210624_100000047030 [0,1,0,0,0,0|3,0,0]=4 1958 B12R1.125 CC(C)CSc1ccncc1N 62a_100000210624_100000756074 [0,1,0,0,0,0|3,0,0]=4 1959 B12R1.125 CC(C)CSc1ccncc1N 62a_100000756074_100000210760 [0,1,0,0,0,0|3,0,0]=4 1960 B12R1.125 CC(C)CSc1ccncc1O 62a_100000210624_100009817591 [0,1,0,0,0,0|3,0,0]=4 1961 B12R1.125 CC(C)CSc1ccncc1O 62a_100009817591_100000210760 [0,1,0,0,0,0|3,0,0]=4 1962 B12R1.125 CC(C)CSc1cnccc1Br 62a_100000210624_100010138639 [0,1,0,0,0,0|3,0,0]=4 1963 B12R1.125 CC(C)CSc1cnccc1Br 62a_100010138639_100000210760 [0,1,0,0,0,0|3,0,0]=4 1964 B12R1.125 CC(C)CSc1cnccc1Cl 62a_100000210624_100009995489 [0,1,0,0,0,0|3,0,0]=4 1965 B12R1.125 CC(C)CSc1cnccc1Cl 62a_100009995489_100000210760 [0,1,0,0,0,0|3,0,0]=4 1966 B12R1.125 CC(C)CSc1cnccc1F 62a_100000210624_100009820683 [0,1,0,0,0,0|3,0,0]=4 1967 B12R1.125 CC(C)CSc1cnccc1F 62a_100009820683_100000210760 [0,1,0,0,0,0|3,0,0]=4 1968 B12R1.125 CC(C)CSc1cnccc1N 62a_100000047001_100000210760 [0,1,0,0,0,0|3,0,0]=4 1969 B12R1.125 CC(C)CSc1cnccc1N 62a_100000210624_100000047001 [0,1,0,0,0,0|3,0,0]=4 1970 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000210624_100000696092 [0,1,0,0,0,0|3,0,0]=4 1971 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000696092_100000210760 [0,1,0,0,0,0|3,0,0]=4 1972 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100000210624_100011356963 [0,1,0,0,0,0|3,0,0]=4 1973 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100011356963_100000210760 [0,1,0,0,0,0|3,0,0]=4 1974 B12R1.125 CC(C)CSc1ncccc1F 62a_100000210624_100000685392 [0,1,0,0,0,0|3,0,0]=4 1975 B12R1.125 CC(C)CSc1ncccc1F 62a_100000685392_100000210760 [0,1,0,0,0,0|3,0,0]=4 1976 B12R1.125 CC(C)CSc1ncccc1N 62a_100000210624_100000688686 [0,1,0,0,0,0|3,0,0]=4 1977 B12R1.125 CC(C)CSc1ncccc1N 62a_100000688686_100000210760 [0,1,0,0,0,0|3,0,0]=4 1978 B12R1.125 CC(C)CSc1ncccc1O 62a_100000034122_100000210760 [0,1,0,0,0,0|3,0,0]=4 1979 B12R1.125 CC(C)CSc1ncccc1O 62a_100000210624_100000034122 [0,1,0,0,0,0|3,0,0]=4 1980 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,1,0,0,0,0|2,0,0]=3 1981 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,1,0,0,0,0|2,0,0]=3 1982 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,1,0,0,0,0|2,0,0]=3 1983 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,1,0,0,0,0|2,0,0]=3 1984 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,1,0,0,0,0|2,0,0]=3 1985 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,1,0,0,0,0|2,0,0]=3 1986 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,1,0,0,0,0|2,0,0]=3 1987 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,1,0,0,0,0|2,0,0]=3 1988 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,1,0,0,0,0|2,0,0]=3 1989 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,1,0,0,0,0|2,0,0]=3 1990 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,1,0,0,0,0|2,0,0]=3 1991 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,1,0,0,0,0|2,0,0]=3 1992 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,1,0,0,0,0|2,0,0]=3 1993 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,1,0,0,0,0|2,0,0]=3 1994 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,1,0,0,0,0|2,0,0]=3 1995 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,1,0,0,0,0|2,0,0]=3 1996 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,1,0,0,0,0|2,0,0]=3 1997 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,1,0,0,0,0|2,0,0]=3 1998 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,1,0,0,0,0|2,0,0]=3 1999 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100009818023_100000210206 [0,1,0,0,0,0|3,0,0]=4 2000 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100138425928_100010140945 [0,1,0,0,0,0|3,0,0]=4 2001 B12R1.125 CC(C)NCc1cccnc1Br 34a_100009818023_100000210206 [0,1,0,0,0,0|3,0,0]=4 2002 B12R1.125 CC(C)NCc1cccnc1Br 34a_100138425928_100010140945 [0,1,0,0,0,0|3,0,0]=4 2003 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100015189234_100000210206 [0,1,0,0,0,0|3,0,0]=4 2004 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100138425928_100000045678 [0,1,0,0,0,0|3,0,0]=4 2005 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100015189234_100000210206 [0,1,0,0,0,0|3,0,0]=4 2006 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100138425928_100000045678 [0,1,0,0,0,0|3,0,0]=4 2007 B12R1.125 CC(C)NCc1cccnc1F 2230a_100138425928_100000099810 [0,1,0,0,0,0|3,0,0]=4 2008 B12R1.125 CC(C)NCc1cccnc1F 34a_100000724633_100000210206 [0,1,0,0,0,0|3,0,0]=4 2009 B12R1.125 CC(C)NCc1cccnc1F 34a_100138425928_100000099810 [0,1,0,0,0,0|3,0,0]=4 2010 B12R1.125 CC(C)NCc1cccnc1O 207a_100138425928_100011998315 [0,1,0,0,0,0|3,0,0]=4 2011 B12R1.125 CC(C)NCc1ccncc1Cl 207a_100138425928_100011934409 [0,1,0,0,0,0|3,0,0]=4 2012 B12R1.125 CC(C)NCc1ccncc1Cl 2230a_100138425928_100000763264 [0,1,0,0,0,0|3,0,0]=4 2013 B12R1.125 CC(C)NCc1ccncc1F 34a_100011935246_100000210206 [0,1,0,0,0,0|3,0,0]=4 2014 B12R1.125 CC(C)NCc1ncccc1Br 207a_100138425928_100011934733 [0,1,0,0,0,0|3,0,0]=4 2015 B12R1.125 CC(C)NCc1ncccc1Br 2230a_100138425928_100025702911 [0,1,0,0,0,0|3,0,0]=4 2016 B12R1.125 CC(C)NCc1ncccc1Br 34a_100138425928_100025702911 [0,1,0,0,0,0|3,0,0]=4 2017 B12R1.125 CC(C)NCc1ncccc1Cl 207a_100138425928_100012001307 [0,1,0,0,0,0|3,0,0]=4 2018 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100015189233_100000210206 [0,1,0,0,0,0|3,0,0]=4 2019 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100138425928_100000099807 [0,1,0,0,0,0|3,0,0]=4 2020 B12R1.125 CC(C)NCc1ncccc1F 207a_100138425928_100011934734 [0,1,0,0,0,0|3,0,0]=4 2021 B12R1.125 CC(C)NCc1ncccc1F 2230a_100138425928_100000104219 [0,1,0,0,0,0|3,0,0]=4 2022 B12R1.125 CC(C)NCc1ncccc1F 34a_100000690088_100000210206 [0,1,0,0,0,0|3,0,0]=4 2023 B12R1.125 CC(C)NCc1ncccc1F 34a_100138425928_100000104219 [0,1,0,0,0,0|3,0,0]=4 2024 B12R1.125 CC(C)NCc1ncccc1O 34a_100138425928_200020655725 [0,1,0,0,0,0|3,0,0]=4 2025 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [0,1,0,0,0,0|2,0,0]=3 2026 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [0,1,0,0,0,0|2,0,0]=3 2027 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [0,1,0,0,0,0|2,0,0]=3 2028 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [0,1,0,0,0,0|2,0,0]=3 2029 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [0,1,0,0,0,0|2,0,0]=3 2030 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [0,1,0,0,0,0|2,0,0]=3 2031 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [0,1,0,0,0,0|2,0,0]=3 2032 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [0,1,0,0,0,0|2,0,0]=3 2033 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [0,1,0,0,0,0|2,0,0]=3 2034 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [0,1,0,0,0,0|2,0,0]=3 2035 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [0,1,0,0,0,0|2,0,0]=3 2036 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [0,1,0,0,0,0|2,0,0]=3 2037 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [0,1,0,0,0,0|2,0,0]=3 2038 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000212225_100010140945 [0,1,0,0,0,0|3,0,0]=4 2039 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000719692_100000210206 [0,1,0,0,0,0|3,0,0]=4 2040 B12R1.125 CC(C)OCc1cccnc1Br 7a_100000719692_100000210206 [0,1,0,0,0,0|3,0,0]=4 2041 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000212225_100000045678 [0,1,0,0,0,0|3,0,0]=4 2042 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000748726_100000210206 [0,1,0,0,0,0|3,0,0]=4 2043 B12R1.125 CC(C)OCc1cccnc1Cl 7a_100000748726_100000210206 [0,1,0,0,0,0|3,0,0]=4 2044 B12R1.125 CC(C)OCc1cccnc1F 34a_100000079888_100000210206 [0,1,0,0,0,0|3,0,0]=4 2045 B12R1.125 CC(C)OCc1cccnc1F 34a_100000212225_100000099810 [0,1,0,0,0,0|3,0,0]=4 2046 B12R1.125 CC(C)OCc1cccnc1F 7a_100000079888_100000210206 [0,1,0,0,0,0|3,0,0]=4 2047 B12R1.125 CC(C)OCc1ccncc1F 34a_100012172863_100000210206 [0,1,0,0,0,0|3,0,0]=4 2048 B12R1.125 CC(C)OCc1cnccc1Cl 34a_100000117392_100000210206 [0,1,0,0,0,0|3,0,0]=4 2049 B12R1.125 CC(C)OCc1ncccc1Br 34a_100000212225_100025702911 [0,1,0,0,0,0|3,0,0]=4 2050 B12R1.125 CC(C)OCc1ncccc1Br 34a_100011996772_100000210206 [0,1,0,0,0,0|3,0,0]=4 2051 B12R1.125 CC(C)OCc1ncccc1Cl 34a_100012002383_100000210206 [0,1,0,0,0,0|3,0,0]=4 2052 B12R1.125 CC(C)OCc1ncccc1F 34a_100000212225_100000104219 [0,1,0,0,0,0|3,0,0]=4 2053 B12R1.125 CC(C)OCc1ncccc1F 34a_100011934865_100000210206 [0,1,0,0,0,0|3,0,0]=4 2054 B12R1.125 CC(C)OCc1ncccc1N 34a_114873767017_100000210206 [0,1,0,0,0,0|3,0,0]=4 2055 B12R1.125 CC(C)OCc1ncccc1O 34a_100000212225_200020655725 [0,1,0,0,0,0|3,0,0]=4 2056 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000184730_100000210206 [0,1,0,0,0,0|2,0,0]=3 2057 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000210206_100000184730 [0,1,0,0,0,0|2,0,0]=3 2058 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000187162_100000210206 [0,1,0,0,0,0|2,0,0]=3 2059 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000210206_100000187162 [0,1,0,0,0,0|2,0,0]=3 2060 B12R1.125 CC(C)SCc1ccccc1F 62a_100000210206_100000211605 [0,1,0,0,0,0|2,0,0]=3 2061 B12R1.125 CC(C)SCc1ccccc1F 62a_100000211605_100000210206 [0,1,0,0,0,0|2,0,0]=3 2062 B12R1.125 CC(C)SCc1ccccc1I 62a_100000210206_100011216222 [0,1,0,0,0,0|2,0,0]=3 2063 B12R1.125 CC(C)SCc1ccccc1I 62a_100011216222_100000210206 [0,1,0,0,0,0|2,0,0]=3 2064 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [0,1,0,0,0,0|2,0,0]=3 2065 B12R1.125 CC(C)SCc1cccnc1Br 62a_100000210206_100010140945 [0,1,0,0,0,0|3,0,0]=4 2066 B12R1.125 CC(C)SCc1cccnc1Br 62a_100010140945_100000210206 [0,1,0,0,0,0|3,0,0]=4 2067 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000045678_100000210206 [0,1,0,0,0,0|3,0,0]=4 2068 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000210206_100000045678 [0,1,0,0,0,0|3,0,0]=4 2069 B12R1.125 CC(C)SCc1cccnc1F 62a_100000099810_100000210206 [0,1,0,0,0,0|3,0,0]=4 2070 B12R1.125 CC(C)SCc1cccnc1F 62a_100000210206_100000099810 [0,1,0,0,0,0|3,0,0]=4 2071 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000210206_100000763264 [0,1,0,0,0,0|3,0,0]=4 2072 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000763264_100000210206 [0,1,0,0,0,0|3,0,0]=4 2073 B12R1.125 CC(C)SCc1ncccc1Br 62a_100000210206_100025702911 [0,1,0,0,0,0|3,0,0]=4 2074 B12R1.125 CC(C)SCc1ncccc1Br 62a_100025702911_100000210206 [0,1,0,0,0,0|3,0,0]=4 2075 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000099807_100000210206 [0,1,0,0,0,0|3,0,0]=4 2076 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000210206_100000099807 [0,1,0,0,0,0|3,0,0]=4 2077 B12R1.125 CC(C)SCc1ncccc1F 62a_100000104219_100000210206 [0,1,0,0,0,0|3,0,0]=4 2078 B12R1.125 CC(C)SCc1ncccc1F 62a_100000210206_100000104219 [0,1,0,0,0,0|3,0,0]=4 2079 B12R1.125 CC(C)SCc1ncccc1O 62a_100000210206_200020655725 [0,1,0,0,0,0|3,0,0]=4 2080 B12R1.125 CC(C)SCc1ncccc1O 62a_200020655725_100000210206 [0,1,0,0,0,0|3,0,0]=4 2081 B12R1.125 CC(O)C=Cc1c[nH]ccc1=O 271570a_200011019289_100009998708 [0,1,0,0,0,0|1,0,2]=4 2082 B12R1.125 CC(O)C=Cc1c[nH]ccc1=S 271570a_200011019289_200012280681 [0,1,0,0,0,0|1,0,2]=4 2083 B12R1.125 CC(O)C=Cc1ccc[nH]c1=O 271570a_200011019289_100000050042 [0,1,0,0,0,0|1,0,2]=4 2084 B12R1.125 CC(O)C=Cc1cccc[n+]1C 271570a_200011019289_100000212160 [0,1,0,0,0,0|1,0,2]=4 2085 B12R1.125 CC(O)C=Cc1cccc[n+]1[O-] 271570a_200011019289_200000042595 [0,1,0,0,0,0|1,0,2]=4 2086 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,1,0,0,0,0|0,0,2]=3 2087 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,1,0,0,0,0|0,0,2]=3 2088 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,1,0,0,0,0|0,0,2]=3 2089 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,1,0,0,0,0|0,0,2]=3 2090 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,1,0,0,0,0|0,0,2]=3 2091 B12R1.125 CC(O)C=Cc1cccnc1Br 271570a_200011019289_100010202626 [0,1,0,0,0,0|1,0,2]=4 2092 B12R1.125 CC(O)C=Cc1cccnc1Cl 271570a_200011019289_100000036424 [0,1,0,0,0,0|1,0,2]=4 2093 B12R1.125 CC(O)C=Cc1cccnc1F 271570a_200011019289_100009816115 [0,1,0,0,0,0|1,0,2]=4 2094 B12R1.125 CC(O)C=Cc1cccnc1N 271570a_200011019289_100000045569 [0,1,0,0,0,0|1,0,2]=4 2095 B12R1.125 CC(O)C=Cc1ccncc1Br 271570a_200011019289_100000726257 [0,1,0,0,0,0|1,0,2]=4 2096 B12R1.125 CC(O)C=Cc1ccncc1Cl 271570a_200011019289_100000708259 [0,1,0,0,0,0|1,0,2]=4 2097 B12R1.125 CC(O)C=Cc1ccncc1F 271570a_200011019289_100000047030 [0,1,0,0,0,0|1,0,2]=4 2098 B12R1.125 CC(O)C=Cc1ccncc1N 271570a_200011019289_100009815883 [0,1,0,0,0,0|1,0,2]=4 2099 B12R1.125 CC(O)C=Cc1ccncc1O 271570a_200011019289_100009817591 [0,1,0,0,0,0|1,0,2]=4 2100 B12R1.125 CC(O)C=Cc1cnccc1Br 271570a_200011019289_100010138639 [0,1,0,0,0,0|1,0,2]=4 2101 B12R1.125 CC(O)C=Cc1cnccc1Cl 271570a_200011019289_100009995489 [0,1,0,0,0,0|1,0,2]=4 2102 B12R1.125 CC(O)C=Cc1cnccc1F 271570a_200011019289_100009820683 [0,1,0,0,0,0|1,0,2]=4 2103 B12R1.125 CC(O)C=Cc1cnccc1N 271570a_200011019289_100000047001 [0,1,0,0,0,0|1,0,2]=4 2104 B12R1.125 CC(O)C=Cc1ncccc1Br 271570a_200011019289_100000696092 [0,1,0,0,0,0|1,0,2]=4 2105 B12R1.125 CC(O)C=Cc1ncccc1Cl 271570a_200011019289_100011356963 [0,1,0,0,0,0|1,0,2]=4 2106 B12R1.125 CC(O)C=Cc1ncccc1F 271570a_200011019289_100000685392 [0,1,0,0,0,0|1,0,2]=4 2107 B12R1.125 CC(O)C=Cc1ncccc1N 271570a_200011019289_100000688686 [0,1,0,0,0,0|1,0,2]=4 2108 B12R1.125 CC(O)C=Cc1ncccc1O 271570a_200011019289_100000034122 [0,1,0,0,0,0|1,0,2]=4 2109 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,1,0,0,0,0|1,0,0]=2 2110 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,1,0,0,0,0|1,0,0]=2 2111 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,1,0,0,0,0|1,0,0]=2 2112 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,1,0,0,0,0|1,0,0]=2 2113 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,1,0,0,0,0|1,0,0]=2 2114 B12R1.125 CC(O)CNc1ccn[nH]c1=O 27a_100000210904_100000087129 [0,1,0,0,0,0|3,0,0]=4 2115 B12R1.125 CC(O)CNc1ccncc1Br 27a_100000210904_100000726257 [0,1,0,0,0,0|2,0,0]=3 2116 B12R1.125 CC(O)CNc1ccncc1F 27a_100000210904_100000035921 [0,1,0,0,0,0|2,0,0]=3 2117 B12R1.125 CC(O)CNc1ncccc1Br 27a_100000210904_100000696092 [0,1,0,0,0,0|2,0,0]=3 2118 B12R1.125 CC(O)CNc1nccnc1F 27a_100000210904_200010125657 [0,1,0,0,0,0|3,0,0]=4 2119 B12R1.125 CC(O)CNc1ncncc1F 27a_100000210904_100000069762 [0,1,0,0,0,0|3,0,0]=4 2120 B12R1.125 CC(O)CNc1ncncc1N 27a_100000210904_100000709731 [0,1,0,0,0,0|3,0,0]=4 2121 B12R1.125 CC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218427 [0,1,0,0,0,0|2,0,0]=3 2122 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,1,0,0,0,0|1,0,0]=2 2123 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,1,0,0,0,0|1,0,0]=2 2124 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,1,0,0,0,0|1,0,0]=2 2125 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,1,0,0,0,0|1,0,0]=2 2126 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,1,0,0,0,0|1,0,0]=2 2127 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,1,0,0,0,0|1,0,0]=2 2128 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,1,0,0,0,0|1,0,0]=2 2129 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,1,0,0,0,0|1,0,0]=2 2130 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,1,0,0,0,0|1,0,0]=2 2131 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,1,0,0,0,0|1,0,0]=2 2132 B12R1.125 CC(O)COc1cccnc1Br 34a_100000744436_100011218427 [0,1,0,0,0,0|2,0,0]=3 2133 B12R1.125 CC(O)COc1cccnc1Br 7a_100000744436_100011218427 [0,1,0,0,0,0|2,0,0]=3 2134 B12R1.125 CC(O)COc1cccnc1Cl 34a_100000757616_100011218427 [0,1,0,0,0,0|2,0,0]=3 2135 B12R1.125 CC(O)COc1cccnc1Cl 7a_100000757616_100011218427 [0,1,0,0,0,0|2,0,0]=3 2136 B12R1.125 CC(O)COc1cccnc1F 34a_100000061740_100011218427 [0,1,0,0,0,0|2,0,0]=3 2137 B12R1.125 CC(O)COc1cccnc1F 7a_100000061740_100011218427 [0,1,0,0,0,0|2,0,0]=3 2138 B12R1.125 CC(O)COc1cccnc1I 34a_100000034122_100011218427 [0,1,0,0,0,0|2,0,0]=3 2139 B12R1.125 CC(O)COc1cccnc1I 7a_100000034122_100011218427 [0,1,0,0,0,0|2,0,0]=3 2140 B12R1.125 CC(O)COc1cccnc1N 34a_100000211975_100011218427 [0,1,0,0,0,0|2,0,0]=3 2141 B12R1.125 CC(O)COc1cccnc1N 7a_100000211975_100011218427 [0,1,0,0,0,0|2,0,0]=3 2142 B12R1.125 CC(O)COc1cccoc1=O 34a_100000077404_100011218427 [0,1,0,0,0,0|2,0,0]=3 2143 B12R1.125 CC(O)COc1cccoc1=O 7a_100000077404_100011218427 [0,1,0,0,0,0|2,0,0]=3 2144 B12R1.125 CC(O)COc1ccncc1Br 34a_100011996408_100011218427 [0,1,0,0,0,0|2,0,0]=3 2145 B12R1.125 CC(O)COc1ccncc1Cl 34a_100011997054_100011218427 [0,1,0,0,0,0|2,0,0]=3 2146 B12R1.125 CC(O)COc1ccncc1F 34a_200000081243_100011218427 [0,1,0,0,0,0|2,0,0]=3 2147 B12R1.125 CC(O)COc1cnccc1Cl 34a_100011996695_100011218427 [0,1,0,0,0,0|2,0,0]=3 2148 B12R1.125 CC(O)COc1cnccc1I 34a_100000050107_100011218427 [0,1,0,0,0,0|2,0,0]=3 2149 B12R1.125 CC(O)COc1cnccc1N 34a_100000753702_100011218427 [0,1,0,0,0,0|2,0,0]=3 2150 B12R1.125 CC(O)COc1cncnc1N 7a_100000112926_100011218427 [0,1,0,0,0,0|3,0,0]=4 2151 B12R1.125 CC(O)COc1coccc1=O 34a_100000060831_100011218427 [0,1,0,0,0,0|2,0,0]=3 2152 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,1,0,0,0,0|2,0,0]=3 2153 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [0,1,0,0,0,0|2,0,0]=3 2154 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [0,1,0,0,0,0|2,0,0]=3 2155 B12R1.125 CC(O)CSc1c[nH]ccc1=O 62a_100009998708_100011218427 [0,1,0,0,0,0|2,0,0]=3 2156 B12R1.125 CC(O)CSc1c[nH]ccc1=O 62a_100011218427_100009998708 [0,1,0,0,0,0|2,0,0]=3 2157 B12R1.125 CC(O)CSc1c[nH]ccc1=S 62a_100011218427_200012280681 [0,1,0,0,0,0|2,0,0]=3 2158 B12R1.125 CC(O)CSc1c[nH]ccc1=S 62a_200012280681_100011218427 [0,1,0,0,0,0|2,0,0]=3 2159 B12R1.125 CC(O)CSc1cccc[n+]1C 62a_100011218427_100000212160 [0,1,0,0,0,0|2,0,0]=3 2160 B12R1.125 CC(O)CSc1cccc[n+]1[O-] 62a_100011218427_200000042595 [0,1,0,0,0,0|2,0,0]=3 2161 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [0,1,0,0,0,0|1,0,0]=2 2162 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [0,1,0,0,0,0|1,0,0]=2 2163 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [0,1,0,0,0,0|1,0,0]=2 2164 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [0,1,0,0,0,0|1,0,0]=2 2165 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [0,1,0,0,0,0|1,0,0]=2 2166 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [0,1,0,0,0,0|1,0,0]=2 2167 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [0,1,0,0,0,0|1,0,0]=2 2168 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [0,1,0,0,0,0|1,0,0]=2 2169 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,1,0,0,0,0|1,0,0]=2 2170 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,1,0,0,0,0|1,0,0]=2 2171 B12R1.125 CC(O)CSc1cccnc1Br 62a_100010202626_100011218427 [0,1,0,0,0,0|2,0,0]=3 2172 B12R1.125 CC(O)CSc1cccnc1Br 62a_100011218427_100010202626 [0,1,0,0,0,0|2,0,0]=3 2173 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100000036424_100011218427 [0,1,0,0,0,0|2,0,0]=3 2174 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100011218427_100000036424 [0,1,0,0,0,0|2,0,0]=3 2175 B12R1.125 CC(O)CSc1cccnc1F 62a_100009816115_100011218427 [0,1,0,0,0,0|2,0,0]=3 2176 B12R1.125 CC(O)CSc1cccnc1F 62a_100011218427_100009816115 [0,1,0,0,0,0|2,0,0]=3 2177 B12R1.125 CC(O)CSc1cccnc1N 62a_100000045569_100011218427 [0,1,0,0,0,0|2,0,0]=3 2178 B12R1.125 CC(O)CSc1cccnc1N 62a_100011218427_100000045569 [0,1,0,0,0,0|2,0,0]=3 2179 B12R1.125 CC(O)CSc1cccnc1O 62a_100000760158_100011218427 [0,1,0,0,0,0|2,0,0]=3 2180 B12R1.125 CC(O)CSc1cccnc1O 62a_100011218427_100000760158 [0,1,0,0,0,0|2,0,0]=3 2181 B12R1.125 CC(O)CSc1ccn[nH]c1=O 62a_100011218427_100000087129 [0,1,0,0,0,0|3,0,0]=4 2182 B12R1.125 CC(O)CSc1ccncc1Br 62a_100000726257_100011218427 [0,1,0,0,0,0|2,0,0]=3 2183 B12R1.125 CC(O)CSc1ccncc1Br 62a_100011218427_100000726257 [0,1,0,0,0,0|2,0,0]=3 2184 B12R1.125 CC(O)CSc1ccncc1Cl 62a_100000708259_100011218427 [0,1,0,0,0,0|2,0,0]=3 2185 B12R1.125 CC(O)CSc1ccncc1Cl 62a_100011218427_100000708259 [0,1,0,0,0,0|2,0,0]=3 2186 B12R1.125 CC(O)CSc1ccncc1F 62a_100000047030_100011218427 [0,1,0,0,0,0|2,0,0]=3 2187 B12R1.125 CC(O)CSc1ccncc1F 62a_100011218427_100000047030 [0,1,0,0,0,0|2,0,0]=3 2188 B12R1.125 CC(O)CSc1ccncc1N 62a_100000756074_100011218427 [0,1,0,0,0,0|2,0,0]=3 2189 B12R1.125 CC(O)CSc1ccncc1N 62a_100011218427_100000756074 [0,1,0,0,0,0|2,0,0]=3 2190 B12R1.125 CC(O)CSc1ccncc1O 62a_100009817591_100011218427 [0,1,0,0,0,0|2,0,0]=3 2191 B12R1.125 CC(O)CSc1ccncc1O 62a_100011218427_100009817591 [0,1,0,0,0,0|2,0,0]=3 2192 B12R1.125 CC(O)CSc1cnccc1Br 62a_100010138639_100011218427 [0,1,0,0,0,0|2,0,0]=3 2193 B12R1.125 CC(O)CSc1cnccc1Br 62a_100011218427_100010138639 [0,1,0,0,0,0|2,0,0]=3 2194 B12R1.125 CC(O)CSc1cnccc1Cl 62a_100009995489_100011218427 [0,1,0,0,0,0|2,0,0]=3 2195 B12R1.125 CC(O)CSc1cnccc1Cl 62a_100011218427_100009995489 [0,1,0,0,0,0|2,0,0]=3 2196 B12R1.125 CC(O)CSc1cnccc1F 62a_100009820683_100011218427 [0,1,0,0,0,0|2,0,0]=3 2197 B12R1.125 CC(O)CSc1cnccc1F 62a_100011218427_100009820683 [0,1,0,0,0,0|2,0,0]=3 2198 B12R1.125 CC(O)CSc1cnccc1N 62a_100000047001_100011218427 [0,1,0,0,0,0|2,0,0]=3 2199 B12R1.125 CC(O)CSc1cnccc1N 62a_100011218427_100000047001 [0,1,0,0,0,0|2,0,0]=3 2200 B12R1.125 CC(O)CSc1cncnc1Br 62a_100011218427_200012461658 [0,1,0,0,0,0|3,0,0]=4 2201 B12R1.125 CC(O)CSc1cncnc1Br 62a_200012461658_100011218427 [0,1,0,0,0,0|3,0,0]=4 2202 B12R1.125 CC(O)CSc1cncnc1Cl 62a_100000758962_100011218427 [0,1,0,0,0,0|3,0,0]=4 2203 B12R1.125 CC(O)CSc1cncnc1Cl 62a_100011218427_100000758962 [0,1,0,0,0,0|3,0,0]=4 2204 B12R1.125 CC(O)CSc1cncnc1N 62a_100011218427_100011996079 [0,1,0,0,0,0|3,0,0]=4 2205 B12R1.125 CC(O)CSc1cncnc1N 62a_100011996079_100011218427 [0,1,0,0,0,0|3,0,0]=4 2206 B12R1.125 CC(O)CSc1cncnc1O 62a_100000751107_100011218427 [0,1,0,0,0,0|3,0,0]=4 2207 B12R1.125 CC(O)CSc1cncnc1O 62a_100011218427_100000751107 [0,1,0,0,0,0|3,0,0]=4 2208 B12R1.125 CC(O)CSc1cnncc1N 62a_100009829405_100011218427 [0,1,0,0,0,0|3,0,0]=4 2209 B12R1.125 CC(O)CSc1cnncc1N 62a_100011218427_100009829405 [0,1,0,0,0,0|3,0,0]=4 2210 B12R1.125 CC(O)CSc1ncc[nH]c1=O 62a_100011218427_100000763361 [0,1,0,0,0,0|3,0,0]=4 2211 B12R1.125 CC(O)CSc1ncccc1Br 62a_100000696092_100011218427 [0,1,0,0,0,0|2,0,0]=3 2212 B12R1.125 CC(O)CSc1ncccc1Br 62a_100011218427_100000696092 [0,1,0,0,0,0|2,0,0]=3 2213 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011218427_100011356963 [0,1,0,0,0,0|2,0,0]=3 2214 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011356963_100011218427 [0,1,0,0,0,0|2,0,0]=3 2215 B12R1.125 CC(O)CSc1ncccc1F 62a_100000685392_100011218427 [0,1,0,0,0,0|2,0,0]=3 2216 B12R1.125 CC(O)CSc1ncccc1F 62a_100011218427_100000685392 [0,1,0,0,0,0|2,0,0]=3 2217 B12R1.125 CC(O)CSc1ncccc1N 62a_100000688686_100011218427 [0,1,0,0,0,0|2,0,0]=3 2218 B12R1.125 CC(O)CSc1ncccc1N 62a_100011218427_100000688686 [0,1,0,0,0,0|2,0,0]=3 2219 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [0,1,0,0,0,0|2,0,0]=3 2220 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [0,1,0,0,0,0|2,0,0]=3 2221 B12R1.125 CC(O)CSc1nccnc1Cl 62a_100010886584_100011218427 [0,1,0,0,0,0|3,0,0]=4 2222 B12R1.125 CC(O)CSc1nccnc1Cl 62a_100011218427_100010886584 [0,1,0,0,0,0|3,0,0]=4 2223 B12R1.125 CC(O)CSc1nccnc1F 62a_100011218427_200010125657 [0,1,0,0,0,0|3,0,0]=4 2224 B12R1.125 CC(O)CSc1nccnc1F 62a_200010125657_100011218427 [0,1,0,0,0,0|3,0,0]=4 2225 B12R1.125 CC(O)CSc1nccnc1N 62a_100000747729_100011218427 [0,1,0,0,0,0|3,0,0]=4 2226 B12R1.125 CC(O)CSc1nccnc1N 62a_100011218427_100000747729 [0,1,0,0,0,0|3,0,0]=4 2227 B12R1.125 CC(O)CSc1ncncc1F 62a_100000069762_100011218427 [0,1,0,0,0,0|3,0,0]=4 2228 B12R1.125 CC(O)CSc1ncncc1F 62a_100011218427_100000069762 [0,1,0,0,0,0|3,0,0]=4 2229 B12R1.125 CC(O)CSc1ncncc1N 62a_100000709731_100011218427 [0,1,0,0,0,0|3,0,0]=4 2230 B12R1.125 CC(O)CSc1ncncc1N 62a_100011218427_100000709731 [0,1,0,0,0,0|3,0,0]=4 2231 B12R1.125 CN(C)CCc1ccccc1Br 2230a_100102631434_100012161201 [0,1,0,0,0,0|2,0,0]=3 2232 B12R1.125 CN(C)CCc1ccccc1Br 269982a_100102631434_100012161201 [0,1,0,0,0,0|2,0,0]=3 2233 B12R1.125 CN(C)CCc1ccccc1Cl 2230a_100102631434_100011713703 [0,1,0,0,0,0|2,0,0]=3 2234 B12R1.125 CN(C)CCc1ccccc1Cl 269982a_100102631434_100011713703 [0,1,0,0,0,0|2,0,0]=3 2235 B12R1.125 CN(C)CCc1ccccc1Cl 270004a_100102631434_200011713468 [0,1,0,0,0,0|2,0,0]=3 2236 B12R1.125 CN(C)CCc1ccccc1F 2230a_100000232559_200000210301 [0,1,0,0,0,0|2,0,0]=3 2237 B12R1.125 CN(C)CCc1ccccc1F 2230a_100102631434_100011713696 [0,1,0,0,0,0|2,0,0]=3 2238 B12R1.125 CN(C)CCc1ccccc1F 269982a_100000232559_200000210301 [0,1,0,0,0,0|2,0,0]=3 2239 B12R1.125 CN(C)CCc1ccccc1F 269982a_100102631434_100011713696 [0,1,0,0,0,0|2,0,0]=3 2240 B12R1.125 CN(C)CCc1ccccc1F 34a_100000232559_200000210301 [0,1,0,0,0,0|2,0,0]=3 2241 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [0,1,0,0,0,0|2,0,0]=3 2242 B12R1.125 CN([13CH3])CCc1ccccc1F 2230a_100000232559_200025704644 [0,1,0,0,0,0|2,0,0]=3 2243 B12R1.125 CN([13CH3])CCc1ccccc1F 269982a_100000232559_200025704644 [0,1,0,0,0,0|2,0,0]=3 2244 B12R1.125 CN([13CH3])CCc1ccccc1F 34a_100000232559_200025704644 [0,1,0,0,0,0|2,0,0]=3 2245 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,1,0,0,0,0|1,0,0]=2 2246 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,1,0,0,0,0|1,0,0]=2 2247 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,1,0,0,0,0|1,0,0]=2 2248 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,1,0,0,0,0|1,0,0]=2 2249 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,1,0,0,0,0|1,0,0]=2 2250 B12R1.125 C[C@@H](O)COc1cccc[n+]1[O-] 7a_100000211761_100009817552 [0,1,0,0,0,0|2,0,0]=3 2251 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,1,0,0,0,0|1,0,0]=2 2252 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,1,0,0,0,0|1,0,0]=2 2253 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,1,0,0,0,0|1,0,0]=2 2254 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,1,0,0,0,0|1,0,0]=2 2255 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,1,0,0,0,0|1,0,0]=2 2256 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,1,0,0,0,0|1,0,0]=2 2257 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,1,0,0,0,0|1,0,0]=2 2258 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,1,0,0,0,0|1,0,0]=2 2259 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,1,0,0,0,0|1,0,0]=2 2260 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,1,0,0,0,0|1,0,0]=2 2261 B12R1.125 C[C@@H](O)COc1cccnc1Br 34a_100000744436_100009817552 [0,1,0,0,0,0|2,0,0]=3 2262 B12R1.125 C[C@@H](O)COc1cccnc1Br 7a_100000744436_100009817552 [0,1,0,0,0,0|2,0,0]=3 2263 B12R1.125 C[C@@H](O)COc1cccnc1Cl 34a_100000757616_100009817552 [0,1,0,0,0,0|2,0,0]=3 2264 B12R1.125 C[C@@H](O)COc1cccnc1Cl 7a_100000757616_100009817552 [0,1,0,0,0,0|2,0,0]=3 2265 B12R1.125 C[C@@H](O)COc1cccnc1F 34a_100000061740_100009817552 [0,1,0,0,0,0|2,0,0]=3 2266 B12R1.125 C[C@@H](O)COc1cccnc1F 7a_100000061740_100009817552 [0,1,0,0,0,0|2,0,0]=3 2267 B12R1.125 C[C@@H](O)COc1cccnc1I 34a_100000034122_100009817552 [0,1,0,0,0,0|2,0,0]=3 2268 B12R1.125 C[C@@H](O)COc1cccnc1I 7a_100000034122_100009817552 [0,1,0,0,0,0|2,0,0]=3 2269 B12R1.125 C[C@@H](O)COc1cccnc1N 34a_100000211975_100009817552 [0,1,0,0,0,0|2,0,0]=3 2270 B12R1.125 C[C@@H](O)COc1cccnc1N 7a_100000211975_100009817552 [0,1,0,0,0,0|2,0,0]=3 2271 B12R1.125 C[C@@H](O)COc1cccoc1=O 34a_100000077404_100009817552 [0,1,0,0,0,0|2,0,0]=3 2272 B12R1.125 C[C@@H](O)COc1cccoc1=O 7a_100000077404_100009817552 [0,1,0,0,0,0|2,0,0]=3 2273 B12R1.125 C[C@@H](O)COc1ccncc1Br 34a_100011996408_100009817552 [0,1,0,0,0,0|2,0,0]=3 2274 B12R1.125 C[C@@H](O)COc1ccncc1Cl 34a_100011997054_100009817552 [0,1,0,0,0,0|2,0,0]=3 2275 B12R1.125 C[C@@H](O)COc1ccncc1F 34a_200000081243_100009817552 [0,1,0,0,0,0|2,0,0]=3 2276 B12R1.125 C[C@@H](O)COc1cnccc1Cl 34a_100011996695_100009817552 [0,1,0,0,0,0|2,0,0]=3 2277 B12R1.125 C[C@@H](O)COc1cnccc1I 34a_100000050107_100009817552 [0,1,0,0,0,0|2,0,0]=3 2278 B12R1.125 C[C@@H](O)COc1cnccc1N 34a_100000753702_100009817552 [0,1,0,0,0,0|2,0,0]=3 2279 B12R1.125 C[C@@H](O)COc1cncnc1N 7a_100000112926_100009817552 [0,1,0,0,0,0|3,0,0]=4 2280 B12R1.125 C[C@@H](O)COc1coccc1=O 34a_100000060831_100009817552 [0,1,0,0,0,0|2,0,0]=3 2281 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,1,0,0,0,0|2,0,0]=3 2282 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [0,1,0,0,0,0|2,0,0]=3 2283 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [0,1,0,0,0,0|2,0,0]=3 2284 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=O 62a_100009817552_100009998708 [0,1,0,0,0,0|2,0,0]=3 2285 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=O 62a_100009998708_100009817552 [0,1,0,0,0,0|2,0,0]=3 2286 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=S 62a_100009817552_200012280681 [0,1,0,0,0,0|2,0,0]=3 2287 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=S 62a_200012280681_100009817552 [0,1,0,0,0,0|2,0,0]=3 2288 B12R1.125 C[C@@H](O)CSc1cccc[n+]1C 62a_100009817552_100000212160 [0,1,0,0,0,0|2,0,0]=3 2289 B12R1.125 C[C@@H](O)CSc1cccc[n+]1[O-] 62a_100009817552_200000042595 [0,1,0,0,0,0|2,0,0]=3 2290 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [0,1,0,0,0,0|1,0,0]=2 2291 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [0,1,0,0,0,0|1,0,0]=2 2292 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [0,1,0,0,0,0|1,0,0]=2 2293 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [0,1,0,0,0,0|1,0,0]=2 2294 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [0,1,0,0,0,0|1,0,0]=2 2295 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [0,1,0,0,0,0|1,0,0]=2 2296 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [0,1,0,0,0,0|1,0,0]=2 2297 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [0,1,0,0,0,0|1,0,0]=2 2298 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,1,0,0,0,0|1,0,0]=2 2299 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,1,0,0,0,0|1,0,0]=2 2300 B12R1.125 C[C@@H](O)CSc1cccnc1Br 62a_100009817552_100010202626 [0,1,0,0,0,0|2,0,0]=3 2301 B12R1.125 C[C@@H](O)CSc1cccnc1Br 62a_100010202626_100009817552 [0,1,0,0,0,0|2,0,0]=3 2302 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100000036424_100009817552 [0,1,0,0,0,0|2,0,0]=3 2303 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100009817552_100000036424 [0,1,0,0,0,0|2,0,0]=3 2304 B12R1.125 C[C@@H](O)CSc1cccnc1F 62a_100009816115_100009817552 [0,1,0,0,0,0|2,0,0]=3 2305 B12R1.125 C[C@@H](O)CSc1cccnc1F 62a_100009817552_100009816115 [0,1,0,0,0,0|2,0,0]=3 2306 B12R1.125 C[C@@H](O)CSc1cccnc1N 62a_100000045569_100009817552 [0,1,0,0,0,0|2,0,0]=3 2307 B12R1.125 C[C@@H](O)CSc1cccnc1N 62a_100009817552_100000045569 [0,1,0,0,0,0|2,0,0]=3 2308 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100000760158_100009817552 [0,1,0,0,0,0|2,0,0]=3 2309 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100009817552_100000760158 [0,1,0,0,0,0|2,0,0]=3 2310 B12R1.125 C[C@@H](O)CSc1ccn[nH]c1=O 62a_100009817552_100000087129 [0,1,0,0,0,0|3,0,0]=4 2311 B12R1.125 C[C@@H](O)CSc1ccncc1Br 62a_100000726257_100009817552 [0,1,0,0,0,0|2,0,0]=3 2312 B12R1.125 C[C@@H](O)CSc1ccncc1Br 62a_100009817552_100000726257 [0,1,0,0,0,0|2,0,0]=3 2313 B12R1.125 C[C@@H](O)CSc1ccncc1Cl 62a_100000708259_100009817552 [0,1,0,0,0,0|2,0,0]=3 2314 B12R1.125 C[C@@H](O)CSc1ccncc1Cl 62a_100009817552_100000708259 [0,1,0,0,0,0|2,0,0]=3 2315 B12R1.125 C[C@@H](O)CSc1ccncc1F 62a_100000047030_100009817552 [0,1,0,0,0,0|2,0,0]=3 2316 B12R1.125 C[C@@H](O)CSc1ccncc1F 62a_100009817552_100000047030 [0,1,0,0,0,0|2,0,0]=3 2317 B12R1.125 C[C@@H](O)CSc1ccncc1N 62a_100000756074_100009817552 [0,1,0,0,0,0|2,0,0]=3 2318 B12R1.125 C[C@@H](O)CSc1ccncc1N 62a_100009817552_100000756074 [0,1,0,0,0,0|2,0,0]=3 2319 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817552_100009817591 [0,1,0,0,0,0|2,0,0]=3 2320 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817591_100009817552 [0,1,0,0,0,0|2,0,0]=3 2321 B12R1.125 C[C@@H](O)CSc1cnccc1Br 62a_100009817552_100010138639 [0,1,0,0,0,0|2,0,0]=3 2322 B12R1.125 C[C@@H](O)CSc1cnccc1Br 62a_100010138639_100009817552 [0,1,0,0,0,0|2,0,0]=3 2323 B12R1.125 C[C@@H](O)CSc1cnccc1Cl 62a_100009817552_100009995489 [0,1,0,0,0,0|2,0,0]=3 2324 B12R1.125 C[C@@H](O)CSc1cnccc1Cl 62a_100009995489_100009817552 [0,1,0,0,0,0|2,0,0]=3 2325 B12R1.125 C[C@@H](O)CSc1cnccc1F 62a_100009817552_100009820683 [0,1,0,0,0,0|2,0,0]=3 2326 B12R1.125 C[C@@H](O)CSc1cnccc1F 62a_100009820683_100009817552 [0,1,0,0,0,0|2,0,0]=3 2327 B12R1.125 C[C@@H](O)CSc1cnccc1N 62a_100000047001_100009817552 [0,1,0,0,0,0|2,0,0]=3 2328 B12R1.125 C[C@@H](O)CSc1cnccc1N 62a_100009817552_100000047001 [0,1,0,0,0,0|2,0,0]=3 2329 B12R1.125 C[C@@H](O)CSc1cncnc1Br 62a_100009817552_200012461658 [0,1,0,0,0,0|3,0,0]=4 2330 B12R1.125 C[C@@H](O)CSc1cncnc1Br 62a_200012461658_100009817552 [0,1,0,0,0,0|3,0,0]=4 2331 B12R1.125 C[C@@H](O)CSc1cncnc1Cl 62a_100000758962_100009817552 [0,1,0,0,0,0|3,0,0]=4 2332 B12R1.125 C[C@@H](O)CSc1cncnc1Cl 62a_100009817552_100000758962 [0,1,0,0,0,0|3,0,0]=4 2333 B12R1.125 C[C@@H](O)CSc1cncnc1N 62a_100009817552_100011996079 [0,1,0,0,0,0|3,0,0]=4 2334 B12R1.125 C[C@@H](O)CSc1cncnc1N 62a_100011996079_100009817552 [0,1,0,0,0,0|3,0,0]=4 2335 B12R1.125 C[C@@H](O)CSc1cncnc1O 62a_100000751107_100009817552 [0,1,0,0,0,0|3,0,0]=4 2336 B12R1.125 C[C@@H](O)CSc1cncnc1O 62a_100009817552_100000751107 [0,1,0,0,0,0|3,0,0]=4 2337 B12R1.125 C[C@@H](O)CSc1cnncc1N 62a_100009817552_100009829405 [0,1,0,0,0,0|3,0,0]=4 2338 B12R1.125 C[C@@H](O)CSc1cnncc1N 62a_100009829405_100009817552 [0,1,0,0,0,0|3,0,0]=4 2339 B12R1.125 C[C@@H](O)CSc1ncc[nH]c1=O 62a_100009817552_100000763361 [0,1,0,0,0,0|3,0,0]=4 2340 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100000696092_100009817552 [0,1,0,0,0,0|2,0,0]=3 2341 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100009817552_100000696092 [0,1,0,0,0,0|2,0,0]=3 2342 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100009817552_100011356963 [0,1,0,0,0,0|2,0,0]=3 2343 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100011356963_100009817552 [0,1,0,0,0,0|2,0,0]=3 2344 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100000685392_100009817552 [0,1,0,0,0,0|2,0,0]=3 2345 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100009817552_100000685392 [0,1,0,0,0,0|2,0,0]=3 2346 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100000688686_100009817552 [0,1,0,0,0,0|2,0,0]=3 2347 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100009817552_100000688686 [0,1,0,0,0,0|2,0,0]=3 2348 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [0,1,0,0,0,0|2,0,0]=3 2349 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [0,1,0,0,0,0|2,0,0]=3 2350 B12R1.125 C[C@@H](O)CSc1nccnc1Cl 62a_100009817552_100010886584 [0,1,0,0,0,0|3,0,0]=4 2351 B12R1.125 C[C@@H](O)CSc1nccnc1Cl 62a_100010886584_100009817552 [0,1,0,0,0,0|3,0,0]=4 2352 B12R1.125 C[C@@H](O)CSc1nccnc1F 62a_100009817552_200010125657 [0,1,0,0,0,0|3,0,0]=4 2353 B12R1.125 C[C@@H](O)CSc1nccnc1F 62a_200010125657_100009817552 [0,1,0,0,0,0|3,0,0]=4 2354 B12R1.125 C[C@@H](O)CSc1nccnc1N 62a_100000747729_100009817552 [0,1,0,0,0,0|3,0,0]=4 2355 B12R1.125 C[C@@H](O)CSc1nccnc1N 62a_100009817552_100000747729 [0,1,0,0,0,0|3,0,0]=4 2356 B12R1.125 C[C@@H](O)CSc1ncncc1F 62a_100000069762_100009817552 [0,1,0,0,0,0|3,0,0]=4 2357 B12R1.125 C[C@@H](O)CSc1ncncc1F 62a_100009817552_100000069762 [0,1,0,0,0,0|3,0,0]=4 2358 B12R1.125 C[C@@H](O)CSc1ncncc1N 62a_100000709731_100009817552 [0,1,0,0,0,0|3,0,0]=4 2359 B12R1.125 C[C@@H](O)CSc1ncncc1N 62a_100009817552_100000709731 [0,1,0,0,0,0|3,0,0]=4 2360 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,1,0,0,0,0|1,0,2]=4 2361 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,1,0,0,0,0|0,0,2]=3 2362 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,0|0,0,2]=3 2363 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,1,0,0,0,0|2,0,0]=3 2364 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,1,0,0,0,0|2,0,0]=3 2365 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,1,0,0,0,0|2,0,0]=3 2366 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,1,0,0,0,0|2,0,0]=3 2367 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,1,0,0,0,0|2,0,0]=3 2368 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,1,0,0,0,0|2,0,0]=3 2369 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,1,0,0,0,0|2,0,0]=3 2370 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,1,0,0,0,0|2,0,0]=3 2371 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,1,0,0,0,0|2,0,0]=3 2372 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [0,1,0,0,0,0|2,0,0]=3 2373 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [0,1,0,0,0,0|2,0,0]=3 2374 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [0,1,0,0,0,0|2,0,0]=3 2375 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,1,0,0,0,0|1,0,0]=2 2376 B12R1.125 Cc1ccccc1NCC(F)F 34a_100015192222_100011934356 [0,1,0,0,0,0|3,0,0]=4 2377 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,1,0,0,0,0|1,0,0]=2 2378 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,0|1,0,2]=4 2379 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,1,0,0,0,0|2,0,0]=3 2380 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,1,0,0,0,0|2,0,0]=3 2381 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,1,0,0,0,0|1,0,0]=2 2382 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,1,0,0,0,0|1,0,0]=2 2383 B12R1.125 Cc1ccccc1OCC(F)F 34a_100000210338_100011934356 [0,1,0,0,0,0|3,0,0]=4 2384 B12R1.125 Cc1ccccc1OCC(F)F 7a_100000210338_100011934356 [0,1,0,0,0,0|3,0,0]=4 2385 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,1,0,0,0,0|1,0,0]=2 2386 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,1,0,0,0,0|1,0,0]=2 2387 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,0|1,0,2]=4 2388 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [0,1,0,0,0,0|2,0,0]=3 2389 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [0,1,0,0,0,0|2,0,0]=3 2390 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,1,0,0,0,0|1,0,0]=2 2391 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,1,0,0,0,0|1,0,0]=2 2392 B12R1.125 Cc1ccccc1SCC(F)F 62a_100000210755_100011934356 [0,1,0,0,0,0|3,0,0]=4 2393 B12R1.125 Cc1ccccc1SCC(F)F 62a_100011934356_100000210755 [0,1,0,0,0,0|3,0,0]=4 2394 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,1,0,0,0,0|1,0,0]=2 2395 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,1,0,0,0,0|1,0,0]=2 2396 B12R1.125 Cc1cccnc1C=CC(C)O 271570a_200011019289_100000751373 [0,1,0,0,0,0|1,0,2]=4 2397 B12R1.125 Cc1cccnc1CNC(C)C 207a_100138425928_100000698913 [0,1,0,0,0,0|3,0,0]=4 2398 B12R1.125 Cc1cccnc1CNC(C)C 2230a_100138425928_100000696600 [0,1,0,0,0,0|3,0,0]=4 2399 B12R1.125 Cc1cccnc1CNC(C)C 34a_100011223789_100000210206 [0,1,0,0,0,0|3,0,0]=4 2400 B12R1.125 Cc1cccnc1CNC(C)C 34a_100138425928_100000696600 [0,1,0,0,0,0|3,0,0]=4 2401 B12R1.125 Cc1cccnc1COC(C)C 34a_100000212225_100000696600 [0,1,0,0,0,0|3,0,0]=4 2402 B12R1.125 Cc1cccnc1COC(C)C 34a_100000698912_100000210206 [0,1,0,0,0,0|3,0,0]=4 2403 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000210206_100000696600 [0,1,0,0,0,0|3,0,0]=4 2404 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000696600_100000210206 [0,1,0,0,0,0|3,0,0]=4 2405 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000210624_100000751373 [0,1,0,0,0,0|3,0,0]=4 2406 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000751373_100000210760 [0,1,0,0,0,0|3,0,0]=4 2407 B12R1.125 Cc1cccnc1SCC(C)O 62a_100000751373_100011218427 [0,1,0,0,0,0|2,0,0]=3 2408 B12R1.125 Cc1cccnc1SCC(C)O 62a_100011218427_100000751373 [0,1,0,0,0,0|2,0,0]=3 2409 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100000751373_100009817552 [0,1,0,0,0,0|2,0,0]=3 2410 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100009817552_100000751373 [0,1,0,0,0,0|2,0,0]=3 2411 B12R1.125 Cc1ccncc1C=CC(C)O 271570a_200011019289_100000761580 [0,1,0,0,0,0|1,0,2]=4 2412 B12R1.125 Cc1ccncc1CNC(C)C 207a_100138425928_100000685662 [0,1,0,0,0,0|3,0,0]=4 2413 B12R1.125 Cc1ccncc1CNC(C)C 2230a_100138425928_100000690890 [0,1,0,0,0,0|3,0,0]=4 2414 B12R1.125 Cc1ccncc1CNC(C)C 34a_100138425928_100000690890 [0,1,0,0,0,0|3,0,0]=4 2415 B12R1.125 Cc1ccncc1COC(C)C 34a_100000212225_100000690890 [0,1,0,0,0,0|3,0,0]=4 2416 B12R1.125 Cc1ccncc1COC(C)C 34a_100011996381_100000210206 [0,1,0,0,0,0|3,0,0]=4 2417 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000210206_100000690890 [0,1,0,0,0,0|3,0,0]=4 2418 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000690890_100000210206 [0,1,0,0,0,0|3,0,0]=4 2419 B12R1.125 Cc1ccncc1OCC(C)C 34a_100011997053_100000210624 [0,1,0,0,0,0|3,0,0]=4 2420 B12R1.125 Cc1ccncc1OCC(C)C 7a_100011997053_100000210760 [0,1,0,0,0,0|3,0,0]=4 2421 B12R1.125 Cc1ccncc1OCC(C)O 34a_100011997053_100011218427 [0,1,0,0,0,0|2,0,0]=3 2422 B12R1.125 Cc1ccncc1OCC(C)O 7a_100011997053_100011218427 [0,1,0,0,0,0|2,0,0]=3 2423 B12R1.125 Cc1ccncc1OC[C@@H](C)O 34a_100011997053_100009817552 [0,1,0,0,0,0|2,0,0]=3 2424 B12R1.125 Cc1ccncc1OC[C@@H](C)O 7a_100011997053_100009817552 [0,1,0,0,0,0|2,0,0]=3 2425 B12R1.125 Cc1ccncc1SCC(C)C 62a_100000210624_100000761580 [0,1,0,0,0,0|3,0,0]=4 2426 B12R1.125 Cc1ccncc1SCC(C)C 62a_100000761580_100000210760 [0,1,0,0,0,0|3,0,0]=4 2427 B12R1.125 Cc1ccncc1SCC(C)O 62a_100000761580_100011218427 [0,1,0,0,0,0|2,0,0]=3 2428 B12R1.125 Cc1ccncc1SCC(C)O 62a_100011218427_100000761580 [0,1,0,0,0,0|2,0,0]=3 2429 B12R1.125 Cc1ccncc1SC[C@@H](C)O 62a_100000761580_100009817552 [0,1,0,0,0,0|2,0,0]=3 2430 B12R1.125 Cc1ccncc1SC[C@@H](C)O 62a_100009817552_100000761580 [0,1,0,0,0,0|2,0,0]=3 2431 B12R1.125 Cc1ccnnc1NCC(C)O 27a_100000210904_100000089043 [0,1,0,0,0,0|3,0,0]=4 2432 B12R1.125 Cc1ccnnc1SCC(C)O 62a_100011218427_100000089043 [0,1,0,0,0,0|3,0,0]=4 2433 B12R1.125 Cc1ccnnc1SC[C@@H](C)O 62a_100009817552_100000089043 [0,1,0,0,0,0|3,0,0]=4 2434 B12R1.125 Cc1cnccc1C=CC(C)O 271570a_200011019289_100015191297 [0,1,0,0,0,0|1,0,2]=4 2435 B12R1.125 Cc1cnccc1CNC(C)C 2230a_100138425928_100020672808 [0,1,0,0,0,0|3,0,0]=4 2436 B12R1.125 Cc1cnccc1CNC(C)C 34a_100138425928_100020672809 [0,1,0,0,0,0|3,0,0]=4 2437 B12R1.125 Cc1cnccc1COC(C)C 34a_100000212225_100020672809 [0,1,0,0,0,0|3,0,0]=4 2438 B12R1.125 Cc1cnccc1COC(C)C 34a_100011997032_100000210206 [0,1,0,0,0,0|3,0,0]=4 2439 B12R1.125 Cc1cnccc1CSC(C)C 62a_100000210206_100020672808 [0,1,0,0,0,0|3,0,0]=4 2440 B12R1.125 Cc1cnccc1CSC(C)C 62a_100020672808_100000210206 [0,1,0,0,0,0|3,0,0]=4 2441 B12R1.125 Cc1cnccc1NCC(C)C 27a_100000210953_100000765111 [0,1,0,0,0,0|3,0,0]=4 2442 B12R1.125 Cc1cnccc1NCC(C)O 27a_100000210904_100000765111 [0,1,0,0,0,0|2,0,0]=3 2443 B12R1.125 Cc1cnccc1OCC(C)C 34a_100000694293_100000210624 [0,1,0,0,0,0|3,0,0]=4 2444 B12R1.125 Cc1cnccc1OCC(C)O 34a_100000694293_100011218427 [0,1,0,0,0,0|2,0,0]=3 2445 B12R1.125 Cc1cnccc1OC[C@@H](C)O 34a_100000694293_100009817552 [0,1,0,0,0,0|2,0,0]=3 2446 B12R1.125 Cc1cnccc1SCC(C)C 62a_100000210624_100000765111 [0,1,0,0,0,0|3,0,0]=4 2447 B12R1.125 Cc1cnccc1SCC(C)C 62a_100000765111_100000210760 [0,1,0,0,0,0|3,0,0]=4 2448 B12R1.125 Cc1cnccc1SCC(C)O 62a_100000765111_100011218427 [0,1,0,0,0,0|2,0,0]=3 2449 B12R1.125 Cc1cnccc1SCC(C)O 62a_100011218427_100000765111 [0,1,0,0,0,0|2,0,0]=3 2450 B12R1.125 Cc1cnccc1SC[C@@H](C)O 62a_100000765111_100009817552 [0,1,0,0,0,0|2,0,0]=3 2451 B12R1.125 Cc1cnccc1SC[C@@H](C)O 62a_100009817552_100000765111 [0,1,0,0,0,0|2,0,0]=3 2452 B12R1.125 Cc1cncnc1NCC(C)O 27a_100000210904_100011998708 [0,1,0,0,0,0|3,0,0]=4 2453 B12R1.125 Cc1cncnc1SCC(C)O 62a_100011218427_100011998708 [0,1,0,0,0,0|3,0,0]=4 2454 B12R1.125 Cc1cncnc1SCC(C)O 62a_100011998708_100011218427 [0,1,0,0,0,0|3,0,0]=4 2455 B12R1.125 Cc1cncnc1SC[C@@H](C)O 62a_100009817552_100011998708 [0,1,0,0,0,0|3,0,0]=4 2456 B12R1.125 Cc1cncnc1SC[C@@H](C)O 62a_100011998708_100009817552 [0,1,0,0,0,0|3,0,0]=4 2457 B12R1.125 Cc1ncccc1C=CC(C)O 271570a_200011019289_100000751574 [0,1,0,0,0,0|1,0,2]=4 2458 B12R1.125 Cc1ncccc1CNC(C)C 207a_100138425928_100000751968 [0,1,0,0,0,0|3,0,0]=4 2459 B12R1.125 Cc1ncccc1CNC(C)C 2230a_100138425928_100000732876 [0,1,0,0,0,0|3,0,0]=4 2460 B12R1.125 Cc1ncccc1CNC(C)C 34a_100138425928_100000732876 [0,1,0,0,0,0|3,0,0]=4 2461 B12R1.125 Cc1ncccc1COC(C)C 34a_100000212225_100000732876 [0,1,0,0,0,0|3,0,0]=4 2462 B12R1.125 Cc1ncccc1COC(C)C 34a_100000729262_100000210206 [0,1,0,0,0,0|3,0,0]=4 2463 B12R1.125 Cc1ncccc1COC(C)C 7a_100000729262_100000210206 [0,1,0,0,0,0|3,0,0]=4 2464 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000210206_100000732876 [0,1,0,0,0,0|3,0,0]=4 2465 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000732876_100000210206 [0,1,0,0,0,0|3,0,0]=4 2466 B12R1.125 Cc1ncccc1OCC(C)C 34a_100000745507_100000210624 [0,1,0,0,0,0|3,0,0]=4 2467 B12R1.125 Cc1ncccc1OCC(C)C 7a_100000745507_100000210760 [0,1,0,0,0,0|3,0,0]=4 2468 B12R1.125 Cc1ncccc1OCC(C)O 34a_100000745507_100011218427 [0,1,0,0,0,0|2,0,0]=3 2469 B12R1.125 Cc1ncccc1OCC(C)O 7a_100000745507_100011218427 [0,1,0,0,0,0|2,0,0]=3 2470 B12R1.125 Cc1ncccc1OC[C@@H](C)O 34a_100000745507_100009817552 [0,1,0,0,0,0|2,0,0]=3 2471 B12R1.125 Cc1ncccc1OC[C@@H](C)O 7a_100000745507_100009817552 [0,1,0,0,0,0|2,0,0]=3 2472 B12R1.125 Cc1ncccc1SCC(C)C 62a_100000210624_100000751574 [0,1,0,0,0,0|3,0,0]=4 2473 B12R1.125 Cc1ncccc1SCC(C)C 62a_100000751574_100000210760 [0,1,0,0,0,0|3,0,0]=4 2474 B12R1.125 Cc1ncccc1SCC(C)O 62a_100000751574_100011218427 [0,1,0,0,0,0|2,0,0]=3 2475 B12R1.125 Cc1ncccc1SCC(C)O 62a_100011218427_100000751574 [0,1,0,0,0,0|2,0,0]=3 2476 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100000751574_100009817552 [0,1,0,0,0,0|2,0,0]=3 2477 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100009817552_100000751574 [0,1,0,0,0,0|2,0,0]=3 2478 B12R1.125 Cc1nccnc1NCC(C)O 27a_100000210904_100011999405 [0,1,0,0,0,0|3,0,0]=4 2479 B12R1.125 Cc1nccnc1OCC(C)O 34a_100000766352_100011218427 [0,1,0,0,0,0|3,0,0]=4 2480 B12R1.125 Cc1nccnc1OC[C@@H](C)O 34a_100000766352_100009817552 [0,1,0,0,0,0|3,0,0]=4 2481 B12R1.125 Cc1nccnc1SCC(C)O 62a_100011218427_100011999405 [0,1,0,0,0,0|3,0,0]=4 2482 B12R1.125 Cc1nccnc1SCC(C)O 62a_100011999405_100011218427 [0,1,0,0,0,0|3,0,0]=4 2483 B12R1.125 Cc1nccnc1SC[C@@H](C)O 62a_100009817552_100011999405 [0,1,0,0,0,0|3,0,0]=4 2484 B12R1.125 Cc1nccnc1SC[C@@H](C)O 62a_100011999405_100009817552 [0,1,0,0,0,0|3,0,0]=4 2485 B12R1.125 Cc1ncncc1SCC(C)O 62a_100009819671_100011218427 [0,1,0,0,0,0|3,0,0]=4 2486 B12R1.125 Cc1ncncc1SCC(C)O 62a_100011218427_100009819671 [0,1,0,0,0,0|3,0,0]=4 2487 B12R1.125 Cc1ncncc1SC[C@@H](C)O 62a_100009817552_100009819671 [0,1,0,0,0,0|3,0,0]=4 2488 B12R1.125 Cc1ncncc1SC[C@@H](C)O 62a_100009819671_100009817552 [0,1,0,0,0,0|3,0,0]=4 2489 B12R1.125 FC(F)CNc1ccccc1Br 34a_100000210017_100011934356 [0,1,0,0,0,0|3,0,0]=4 2490 B12R1.125 FC(F)CNc1ccccc1Cl 34a_100000185783_100011934356 [0,1,0,0,0,0|3,0,0]=4 2491 B12R1.125 FC(F)CNc1ccccc1I 34a_100000210053_100011934356 [0,1,0,0,0,0|3,0,0]=4 2492 B12R1.125 FC(F)COc1ccccc1Br 34a_100000181306_100011934356 [0,1,0,0,0,0|3,0,0]=4 2493 B12R1.125 FC(F)COc1ccccc1Br 7a_100000181306_100011934356 [0,1,0,0,0,0|3,0,0]=4 2494 B12R1.125 FC(F)COc1ccccc1Cl 34a_100000210172_100011934356 [0,1,0,0,0,0|3,0,0]=4 2495 B12R1.125 FC(F)COc1ccccc1Cl 7a_100000210172_100011934356 [0,1,0,0,0,0|3,0,0]=4 2496 B12R1.125 FC(F)COc1ccccc1I 34a_100000739446_100011934356 [0,1,0,0,0,0|3,0,0]=4 2497 B12R1.125 FC(F)COc1ccccc1I 7a_100000739446_100011934356 [0,1,0,0,0,0|3,0,0]=4 2498 B12R1.125 FC(F)CSc1ccccc1Br 62a_100000695589_100011934356 [0,1,0,0,0,0|3,0,0]=4 2499 B12R1.125 FC(F)CSc1ccccc1Br 62a_100011934356_100000695589 [0,1,0,0,0,0|3,0,0]=4 2500 B12R1.125 FC(F)CSc1ccccc1Cl 62a_100000764095_100011934356 [0,1,0,0,0,0|3,0,0]=4 2501 B12R1.125 FC(F)CSc1ccccc1Cl 62a_100011934356_100000764095 [0,1,0,0,0,0|3,0,0]=4 2502 B12R1.125 Fc1ccccc1NCC(F)F 34a_100000210422_100011934356 [0,1,0,0,0,0|3,0,0]=4 2503 B12R1.125 Fc1ccccc1OCC(F)F 34a_100000210171_100011934356 [0,1,0,0,0,0|3,0,0]=4 2504 B12R1.125 Fc1ccccc1OCC(F)F 7a_100000210171_100011934356 [0,1,0,0,0,0|3,0,0]=4 2505 B12R1.125 Fc1ccccc1SCC(F)F 62a_100011215700_100011934356 [0,1,0,0,0,0|3,0,0]=4 2506 B12R1.125 Fc1ccccc1SCC(F)F 62a_100011934356_100011215700 [0,1,0,0,0,0|3,0,0]=4 2507 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,0|1,0,2]=4 2508 B12R1.125 Nc1ccccc1OCC(F)F 34a_100000185747_100011934356 [0,1,0,0,0,0|3,0,0]=4 2509 B12R1.125 Nc1ccccc1OCC(F)F 7a_100000185747_100011934356 [0,1,0,0,0,0|3,0,0]=4 2510 B12R1.125 Nc1ccccc1SCC(F)F 62a_100000210017_100011934356 [0,1,0,0,0,0|3,0,0]=4 2511 B12R1.125 Nc1ccccc1SCC(F)F 62a_100011934356_100000210017 [0,1,0,0,0,0|3,0,0]=4 2512 B12R1.125 Oc1ccccc1NCC(F)F 34a_100000185747_100011934356 [0,1,0,0,0,0|3,0,0]=4 2513 B12R1.125 Oc1ccccc1OCC(F)F 271570a_203496583355_100000692002 [0,1,0,0,0,0|3,0,0]=4 2514 B12R1.125 Oc1ccccc1SCC(F)F 62a_100000739446_100011934356 [0,1,0,0,0,0|3,0,0]=4 2515 B12R1.125 Oc1ccccc1SCC(F)F 62a_100011934356_100000739446 [0,1,0,0,0,0|3,0,0]=4 2516 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,0|0,0,2]=3 2517 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,0|0,0,2]=3 2518 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,0|0,0,2]=3 2519 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,0|0,0,2]=3 2520 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,0|0,0,2]=3 2521 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,0,0,0|1,0,2]=4 2522 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,0|1,0,2]=4 2523 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,0|1,0,2]=4 2524 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,0|1,0,2]=4 2525 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,0|1,0,2]=4 2526 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,0|1,0,2]=4 2527 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,0|1,0,2]=4 2528 B12R1.226 C=C(C)CNc1cccc(c1)Br 34a_100000210019_100000748629 [0,1,0,0,0,0|2,0,1]=4 2529 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [0,1,0,0,0,0|2,0,1]=4 2530 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [0,1,0,0,0,0|2,0,1]=4 2531 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34a_100000185859_100000748629 [0,1,0,0,0,0|2,0,1]=4 2532 B12R1.226 C=C(C)CNc1cccc(c1)F 34a_100000210047_100000748629 [0,1,0,0,0,0|2,0,1]=4 2533 B12R1.226 C=C(C)CNc1cccc(c1)I 34a_100000211102_100000748629 [0,1,0,0,0,0|2,0,1]=4 2534 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [0,1,0,0,0,0|2,0,1]=4 2535 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,1,0,0,0,0|2,0,1]=4 2536 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,1,0,0,0,0|2,0,1]=4 2537 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,1,0,0,0,0|2,0,1]=4 2538 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,1,0,0,0,0|2,0,1]=4 2539 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,1,0,0,0,0|2,0,1]=4 2540 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,1,0,0,0,0|2,0,1]=4 2541 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,1,0,0,0,0|2,0,1]=4 2542 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,1,0,0,0,0|2,0,1]=4 2543 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,1,0,0,0,0|2,0,1]=4 2544 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,1,0,0,0,0|2,0,1]=4 2545 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,1,0,0,0,0|2,0,1]=4 2546 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000691529_100000211660 [0,1,0,0,0,0|2,0,1]=4 2547 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000748629_100000691529 [0,1,0,0,0,0|2,0,1]=4 2548 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,1,0,0,0,0|2,0,1]=4 2549 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,1,0,0,0,0|2,0,1]=4 2550 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000699651_100000211660 [0,1,0,0,0,0|2,0,1]=4 2551 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000748629_100000699651 [0,1,0,0,0,0|2,0,1]=4 2552 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000685547_100000211660 [0,1,0,0,0,0|2,0,1]=4 2553 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000748629_100000685547 [0,1,0,0,0,0|2,0,1]=4 2554 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000210019_100000211660 [0,1,0,0,0,0|2,0,1]=4 2555 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000748629_100000210019 [0,1,0,0,0,0|2,0,1]=4 2556 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [0,1,0,0,0,0|2,0,1]=4 2557 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_100000748629_114929384022 [0,1,0,0,0,0|2,0,1]=4 2558 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_114929384022_100000211660 [0,1,0,0,0,0|2,0,1]=4 2559 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,0|0,0,2]=3 2560 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,0|0,0,2]=3 2561 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,0|0,0,2]=3 2562 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,0|0,0,2]=3 2563 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,0|0,0,2]=3 2564 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,0|0,0,2]=3 2565 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,0|0,0,2]=3 2566 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,0|0,0,2]=3 2567 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,0|0,0,2]=3 2568 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,0|0,0,2]=3 2569 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,0|0,0,2]=3 2570 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,0,0|1,0,2]=4 2571 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,0,0|1,0,2]=4 2572 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,0,0|1,0,2]=4 2573 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,0,0|1,0,2]=4 2574 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,0,0|1,0,2]=4 2575 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,0|1,0,2]=4 2576 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,0|1,0,2]=4 2577 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,0|1,0,2]=4 2578 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,0|1,0,2]=4 2579 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,0|1,0,2]=4 2580 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,0|1,0,2]=4 2581 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,0|1,0,2]=4 2582 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,0|1,0,2]=4 2583 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,0|1,0,2]=4 2584 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,0|1,0,2]=4 2585 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,0|1,0,2]=4 2586 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,0|1,0,2]=4 2587 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,0|1,0,2]=4 2588 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,0|1,0,2]=4 2589 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,0|1,0,2]=4 2590 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,0|1,0,2]=4 2591 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,0|1,0,2]=4 2592 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,0|1,0,2]=4 2593 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,0|1,0,2]=4 2594 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,0|1,0,2]=4 2595 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,0|1,0,2]=4 2596 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,0|1,0,2]=4 2597 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,0|1,0,2]=4 2598 B12R1.226 CC(C)C=Cc1cccc(c1)Br 271570a_100016257149_100000691529 [0,1,0,0,0,0|1,0,2]=4 2599 B12R1.226 CC(C)C=Cc1cccc(c1)Cl 271570a_100016257149_100000699651 [0,1,0,0,0,0|1,0,2]=4 2600 B12R1.226 CC(C)C=Cc1cccc(c1)F 271570a_100016257149_100000685547 [0,1,0,0,0,0|1,0,2]=4 2601 B12R1.226 CC(C)C=Cc1cccc(c1)N 271570a_100016257149_100000210019 [0,1,0,0,0,0|1,0,2]=4 2602 B12R1.226 CC(C)C=Cc1cccc(c1)O 271570a_100016257149_100000211634 [0,1,0,0,0,0|1,0,2]=4 2603 B12R1.226 CC(C)C=Cc1cccc(c1)[S] 271570a_100016257149_114929384022 [0,1,0,0,0,0|1,0,2]=4 2604 B12R1.226 CC(C)CNc1cc(ccn1)F 27a_100000210953_100000764206 [0,1,0,0,0,0|3,0,0]=4 2605 B12R1.226 CC(C)CNc1cc[nH]c(=O)c1 27a_100000210953_100000061649 [0,1,0,0,0,0|3,0,0]=4 2606 B12R1.226 CC(C)CNc1cccc(c1)Br 34a_100000210019_100000210624 [0,1,0,0,0,0|2,0,0]=3 2607 B12R1.226 CC(C)CNc1cccc(c1)Cl 34a_100000185859_100000210624 [0,1,0,0,0,0|2,0,0]=3 2608 B12R1.226 CC(C)CNc1cccc(c1)F 34a_100000210047_100000210624 [0,1,0,0,0,0|2,0,0]=3 2609 B12R1.226 CC(C)CNc1cccc(c1)I 34a_100000211102_100000210624 [0,1,0,0,0,0|2,0,0]=3 2610 B12R1.226 CC(C)CNc1cccc(c1)O 34a_100000210217_100000210624 [0,1,0,0,0,0|2,0,0]=3 2611 B12R1.226 CC(C)CNc1cccc(n1)F 27a_100000210953_100009815982 [0,1,0,0,0,0|3,0,0]=4 2612 B12R1.226 CC(C)CNc1ccnc(c1)F 27a_100000210953_100009816116 [0,1,0,0,0,0|3,0,0]=4 2613 B12R1.226 CC(C)COc1cc[nH]c(=O)c1 34a_100000032262_100000210624 [0,1,0,0,0,0|3,0,0]=4 2614 B12R1.226 CC(C)COc1ccc[n+](c1)[O-] 34a_100000039713_100000210624 [0,1,0,0,0,0|3,0,0]=4 2615 B12R1.226 CC(C)COc1ccc[n+](c1)[O-] 7a_100000039713_100000210760 [0,1,0,0,0,0|3,0,0]=4 2616 B12R1.226 CC(C)COc1cccc(=O)[nH]1 34a_100000033347_100000210624 [0,1,0,0,0,0|3,0,0]=4 2617 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [0,1,0,0,0,0|2,0,0]=3 2618 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [0,1,0,0,0,0|2,0,0]=3 2619 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [0,1,0,0,0,0|2,0,0]=3 2620 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [0,1,0,0,0,0|2,0,0]=3 2621 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [0,1,0,0,0,0|2,0,0]=3 2622 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [0,1,0,0,0,0|2,0,0]=3 2623 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [0,1,0,0,0,0|2,0,0]=3 2624 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [0,1,0,0,0,0|2,0,0]=3 2625 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [0,1,0,0,0,0|2,0,0]=3 2626 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [0,1,0,0,0,0|2,0,0]=3 2627 B12R1.226 CC(C)COc1cccc(n1)F 34a_100011432558_100000210624 [0,1,0,0,0,0|3,0,0]=4 2628 B12R1.226 CC(C)COc1ccnc(c1)Cl 34a_100000762945_100000210624 [0,1,0,0,0,0|3,0,0]=4 2629 B12R1.226 CC(C)COc1ccnc(c1)F 34a_100000732698_100000210624 [0,1,0,0,0,0|3,0,0]=4 2630 B12R1.226 CC(C)COc1ccnc(c1)N 34a_100011834064_100000210624 [0,1,0,0,0,0|3,0,0]=4 2631 B12R1.226 CC(C)COc1cncc(c1)Br 34a_100000754920_100000210624 [0,1,0,0,0,0|3,0,0]=4 2632 B12R1.226 CC(C)COc1cncc(c1)Br 7a_100000754920_100000210760 [0,1,0,0,0,0|3,0,0]=4 2633 B12R1.226 CC(C)COc1cncc(c1)Cl 7a_100000032511_100000210760 [0,1,0,0,0,0|3,0,0]=4 2634 B12R1.226 CC(C)COc1cncc(c1)F 34a_100011830296_100000210624 [0,1,0,0,0,0|3,0,0]=4 2635 B12R1.226 CC(C)COc1cncc(c1)F 7a_100011830296_100000210760 [0,1,0,0,0,0|3,0,0]=4 2636 B12R1.226 CC(C)COc1cncc(c1)N 34a_100011997051_100000210624 [0,1,0,0,0,0|3,0,0]=4 2637 B12R1.226 CC(C)CSc1cc(=O)cc[nH]1 62a_100009817434_100000210760 [0,1,0,0,0,0|3,0,0]=4 2638 B12R1.226 CC(C)CSc1cc(ccn1)Cl 62a_100000210624_100010167805 [0,1,0,0,0,0|3,0,0]=4 2639 B12R1.226 CC(C)CSc1cc(ccn1)Cl 62a_100010167805_100000210760 [0,1,0,0,0,0|3,0,0]=4 2640 B12R1.226 CC(C)CSc1cc(ccn1)F 62a_100000210624_100000764206 [0,1,0,0,0,0|3,0,0]=4 2641 B12R1.226 CC(C)CSc1cc(ccn1)F 62a_100000764206_100000210760 [0,1,0,0,0,0|3,0,0]=4 2642 B12R1.226 CC(C)CSc1cc(ccn1)N 62a_100000210624_100009814236 [0,1,0,0,0,0|3,0,0]=4 2643 B12R1.226 CC(C)CSc1cc(ccn1)N 62a_100009814236_100000210760 [0,1,0,0,0,0|3,0,0]=4 2644 B12R1.226 CC(C)CSc1cc(ccn1)O 62a_100000210624_100000762945 [0,1,0,0,0,0|3,0,0]=4 2645 B12R1.226 CC(C)CSc1cc[nH]c(=O)c1 62a_100000210624_100009816521 [0,1,0,0,0,0|3,0,0]=4 2646 B12R1.226 CC(C)CSc1cc[nH]c(=O)c1 62a_100009816521_100000210760 [0,1,0,0,0,0|3,0,0]=4 2647 B12R1.226 CC(C)CSc1ccc[n+](c1)C 62a_100000210624_100009996589 [0,1,0,0,0,0|3,0,0]=4 2648 B12R1.226 CC(C)CSc1ccc[n+](c1)C 62a_100009996589_100000210760 [0,1,0,0,0,0|3,0,0]=4 2649 B12R1.226 CC(C)CSc1ccc[n+](c1)[O-] 62a_100000210624_100009815978 [0,1,0,0,0,0|3,0,0]=4 2650 B12R1.226 CC(C)CSc1cccc(=O)[nH]1 62a_100000210624_100000752884 [0,1,0,0,0,0|3,0,0]=4 2651 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000210624_100000691529 [0,1,0,0,0,0|2,0,0]=3 2652 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000691529_100000210760 [0,1,0,0,0,0|2,0,0]=3 2653 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000210624_100000699651 [0,1,0,0,0,0|2,0,0]=3 2654 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000699651_100000210760 [0,1,0,0,0,0|2,0,0]=3 2655 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000210624_100000685547 [0,1,0,0,0,0|2,0,0]=3 2656 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000685547_100000210760 [0,1,0,0,0,0|2,0,0]=3 2657 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210019_100000210760 [0,1,0,0,0,0|2,0,0]=3 2658 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210624_100000210019 [0,1,0,0,0,0|2,0,0]=3 2659 B12R1.226 CC(C)CSc1cccc(c1)O 62a_100000210624_100000211634 [0,1,0,0,0,0|2,0,0]=3 2660 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_100000210624_114929384022 [0,1,0,0,0,0|2,0,0]=3 2661 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_114929384022_100000210760 [0,1,0,0,0,0|2,0,0]=3 2662 B12R1.226 CC(C)CSc1cccc(n1)Br 62a_100000210624_100000684672 [0,1,0,0,0,0|3,0,0]=4 2663 B12R1.226 CC(C)CSc1cccc(n1)Br 62a_100000684672_100000210760 [0,1,0,0,0,0|3,0,0]=4 2664 B12R1.226 CC(C)CSc1cccc(n1)Cl 62a_100000051397_100000210760 [0,1,0,0,0,0|3,0,0]=4 2665 B12R1.226 CC(C)CSc1cccc(n1)Cl 62a_100000210624_100000051397 [0,1,0,0,0,0|3,0,0]=4 2666 B12R1.226 CC(C)CSc1cccc(n1)F 62a_100000210624_100009815982 [0,1,0,0,0,0|3,0,0]=4 2667 B12R1.226 CC(C)CSc1cccc(n1)F 62a_100009815982_100000210760 [0,1,0,0,0,0|3,0,0]=4 2668 B12R1.226 CC(C)CSc1cccc(n1)N 62a_100000210624_100000740741 [0,1,0,0,0,0|3,0,0]=4 2669 B12R1.226 CC(C)CSc1cccc(n1)N 62a_100000740741_100000210760 [0,1,0,0,0,0|3,0,0]=4 2670 B12R1.226 CC(C)CSc1ccnc(c1)Br 62a_100000210624_100009814637 [0,1,0,0,0,0|3,0,0]=4 2671 B12R1.226 CC(C)CSc1ccnc(c1)Br 62a_100009814637_100000210760 [0,1,0,0,0,0|3,0,0]=4 2672 B12R1.226 CC(C)CSc1ccnc(c1)Cl 62a_100000035001_100000210760 [0,1,0,0,0,0|3,0,0]=4 2673 B12R1.226 CC(C)CSc1ccnc(c1)Cl 62a_100000210624_100000035001 [0,1,0,0,0,0|3,0,0]=4 2674 B12R1.226 CC(C)CSc1ccnc(c1)F 62a_100000210624_100009816116 [0,1,0,0,0,0|3,0,0]=4 2675 B12R1.226 CC(C)CSc1ccnc(c1)F 62a_100009816116_100000210760 [0,1,0,0,0,0|3,0,0]=4 2676 B12R1.226 CC(C)CSc1ccnc(c1)N 62a_100000049665_100000210760 [0,1,0,0,0,0|3,0,0]=4 2677 B12R1.226 CC(C)CSc1ccnc(c1)N 62a_100000210624_100000049665 [0,1,0,0,0,0|3,0,0]=4 2678 B12R1.226 CC(C)CSc1cncc(c1)Br 62a_100000210624_100000728054 [0,1,0,0,0,0|3,0,0]=4 2679 B12R1.226 CC(C)CSc1cncc(c1)Br 62a_100000728054_100000210760 [0,1,0,0,0,0|3,0,0]=4 2680 B12R1.226 CC(C)CSc1cncc(c1)Cl 62a_100000049639_100000210760 [0,1,0,0,0,0|3,0,0]=4 2681 B12R1.226 CC(C)CSc1cncc(c1)Cl 62a_100000210624_100000049639 [0,1,0,0,0,0|3,0,0]=4 2682 B12R1.226 CC(C)CSc1cncc(c1)F 62a_100000210624_100000744099 [0,1,0,0,0,0|3,0,0]=4 2683 B12R1.226 CC(C)CSc1cncc(c1)F 62a_100000744099_100000210760 [0,1,0,0,0,0|3,0,0]=4 2684 B12R1.226 CC(C)CSc1cncc(c1)N 62a_100000210624_100000687067 [0,1,0,0,0,0|3,0,0]=4 2685 B12R1.226 CC(C)CSc1cncc(c1)N 62a_100000687067_100000210760 [0,1,0,0,0,0|3,0,0]=4 2686 B12R1.226 CC(C)CSc1cncc(c1)O 62a_100000210624_100000754920 [0,1,0,0,0,0|3,0,0]=4 2687 B12R1.226 CC(C)CSc1cncc(c1)O 62a_100000754920_100000210760 [0,1,0,0,0,0|3,0,0]=4 2688 B12R1.226 CC(C)NCc1cc(ccn1)Br 2230a_100138425928_100010173614 [0,1,0,0,0,0|3,0,0]=4 2689 B12R1.226 CC(C)NCc1cc(ccn1)Br 34a_100138425928_100010173614 [0,1,0,0,0,0|3,0,0]=4 2690 B12R1.226 CC(C)NCc1cc(ccn1)Cl 2230a_100138425928_100016988179 [0,1,0,0,0,0|3,0,0]=4 2691 B12R1.226 CC(C)NCc1cc(ccn1)Cl 34a_100138425928_100016988179 [0,1,0,0,0,0|3,0,0]=4 2692 B12R1.226 CC(C)NCc1cccc(=O)[nH]1 207a_100138425928_100011935257 [0,1,0,0,0,0|3,0,0]=4 2693 B12R1.226 CC(C)NCc1cccc(=O)[nH]1 2230a_100000696482_100000210206 [0,1,0,0,0,0|3,0,0]=4 2694 B12R1.226 CC(C)NCc1cccc(c1)Br 207a_100138425928_100000210085 [0,1,0,0,0,0|2,0,0]=3 2695 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100000174977_100000210206 [0,1,0,0,0,0|2,0,0]=3 2696 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100138425928_100000698116 [0,1,0,0,0,0|2,0,0]=3 2697 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100000174977_100000210206 [0,1,0,0,0,0|2,0,0]=3 2698 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100138425928_100000698116 [0,1,0,0,0,0|2,0,0]=3 2699 B12R1.226 CC(C)NCc1cccc(c1)Cl 207a_100138425928_100000210801 [0,1,0,0,0,0|2,0,0]=3 2700 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000210206 [0,1,0,0,0,0|2,0,0]=3 2701 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100138425928_100000181238 [0,1,0,0,0,0|2,0,0]=3 2702 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100000174878_100000210206 [0,1,0,0,0,0|2,0,0]=3 2703 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100138425928_100000187163 [0,1,0,0,0,0|2,0,0]=3 2704 B12R1.226 CC(C)NCc1cccc(c1)F 207a_100138425928_100000210812 [0,1,0,0,0,0|2,0,0]=3 2705 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100000174948_100000210206 [0,1,0,0,0,0|2,0,0]=3 2706 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100138425928_100000230114 [0,1,0,0,0,0|2,0,0]=3 2707 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100000174948_100000210206 [0,1,0,0,0,0|2,0,0]=3 2708 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100138425928_100000187166 [0,1,0,0,0,0|2,0,0]=3 2709 B12R1.226 CC(C)NCc1cccc(c1)I 207a_100138425928_100000014684 [0,1,0,0,0,0|2,0,0]=3 2710 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100000106179_100000210206 [0,1,0,0,0,0|2,0,0]=3 2711 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100138425928_100011218688 [0,1,0,0,0,0|2,0,0]=3 2712 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100000106179_100000210206 [0,1,0,0,0,0|2,0,0]=3 2713 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100138425928_100011218688 [0,1,0,0,0,0|2,0,0]=3 2714 B12R1.226 CC(C)NCc1cccc(c1)O 207a_100138425928_100000188321 [0,1,0,0,0,0|2,0,0]=3 2715 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100000743036_100000210206 [0,1,0,0,0,0|2,0,0]=3 2716 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100138425928_100011660834 [0,1,0,0,0,0|2,0,0]=3 2717 B12R1.226 CC(C)NCc1cccc(c1)O 271570a_203496583355_100000195767 [0,1,0,0,0,0|2,0,0]=3 2718 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100000743036_100000210206 [0,1,0,0,0,0|2,0,0]=3 2719 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100138425928_100011660834 [0,1,0,0,0,0|2,0,0]=3 2720 B12R1.226 CC(C)NCc1cccc(n1)Br 2230a_100016987751_100000210206 [0,1,0,0,0,0|3,0,0]=4 2721 B12R1.226 CC(C)NCc1cccc(n1)Br 2230a_100138425928_100009889011 [0,1,0,0,0,0|3,0,0]=4 2722 B12R1.226 CC(C)NCc1cccc(n1)Br 34a_100138425928_100009889011 [0,1,0,0,0,0|3,0,0]=4 2723 B12R1.226 CC(C)NCc1cccc(n1)Cl 2230a_100016990191_100000210206 [0,1,0,0,0,0|3,0,0]=4 2724 B12R1.226 CC(C)NCc1cccc(n1)Cl 2230a_100138425928_100000086093 [0,1,0,0,0,0|3,0,0]=4 2725 B12R1.226 CC(C)NCc1cccc(n1)Cl 34a_100138425928_100000086093 [0,1,0,0,0,0|3,0,0]=4 2726 B12R1.226 CC(C)NCc1cccc(n1)F 2230a_100015188798_100000210206 [0,1,0,0,0,0|3,0,0]=4 2727 B12R1.226 CC(C)NCc1cccc(n1)F 2230a_100138425928_100009819644 [0,1,0,0,0,0|3,0,0]=4 2728 B12R1.226 CC(C)NCc1cccc(n1)F 34a_100015188798_100000210206 [0,1,0,0,0,0|3,0,0]=4 2729 B12R1.226 CC(C)NCc1cccc(n1)F 34a_100138425928_100009819644 [0,1,0,0,0,0|3,0,0]=4 2730 B12R1.226 CC(C)NCc1ccnc(c1)Br 2230a_100025757509_100000210206 [0,1,0,0,0,0|3,0,0]=4 2731 B12R1.226 CC(C)NCc1ccnc(c1)Br 2230a_100138425928_100010243470 [0,1,0,0,0,0|3,0,0]=4 2732 B12R1.226 CC(C)NCc1ccnc(c1)Br 34a_100025757509_100000210206 [0,1,0,0,0,0|3,0,0]=4 2733 B12R1.226 CC(C)NCc1ccnc(c1)Br 34a_100138425928_100010243470 [0,1,0,0,0,0|3,0,0]=4 2734 B12R1.226 CC(C)NCc1ccnc(c1)Cl 2230a_100015205668_100000210206 [0,1,0,0,0,0|3,0,0]=4 2735 B12R1.226 CC(C)NCc1ccnc(c1)Cl 2230a_100138425928_100000764220 [0,1,0,0,0,0|3,0,0]=4 2736 B12R1.226 CC(C)NCc1ccnc(c1)Cl 34a_100015205668_100000210206 [0,1,0,0,0,0|3,0,0]=4 2737 B12R1.226 CC(C)NCc1ccnc(c1)Cl 34a_100138425928_100000764220 [0,1,0,0,0,0|3,0,0]=4 2738 B12R1.226 CC(C)NCc1ccnc(c1)F 2230a_100015188774_100000210206 [0,1,0,0,0,0|3,0,0]=4 2739 B12R1.226 CC(C)NCc1ccnc(c1)F 34a_100015188774_100000210206 [0,1,0,0,0,0|3,0,0]=4 2740 B12R1.226 CC(C)NCc1ccnc(c1)O 207a_100138425928_100000688113 [0,1,0,0,0,0|3,0,0]=4 2741 B12R1.226 CC(C)NCc1cncc(c1)Br 207a_100138425928_100000687066 [0,1,0,0,0,0|3,0,0]=4 2742 B12R1.226 CC(C)NCc1cncc(c1)Br 2230a_100138425928_100000738771 [0,1,0,0,0,0|3,0,0]=4 2743 B12R1.226 CC(C)NCc1cncc(c1)Br 34a_100138425928_100000738771 [0,1,0,0,0,0|3,0,0]=4 2744 B12R1.226 CC(C)NCc1cncc(c1)Cl 207a_100138425928_100000088910 [0,1,0,0,0,0|3,0,0]=4 2745 B12R1.226 CC(C)NCc1cncc(c1)Cl 2230a_100138425928_100016992070 [0,1,0,0,0,0|3,0,0]=4 2746 B12R1.226 CC(C)NCc1cncc(c1)Cl 2230a_200020614424_100000210206 [0,1,0,0,0,0|3,0,0]=4 2747 B12R1.226 CC(C)NCc1cncc(c1)Cl 34a_100138425928_100016992070 [0,1,0,0,0,0|3,0,0]=4 2748 B12R1.226 CC(C)NCc1cncc(c1)F 207a_100138425928_100011361476 [0,1,0,0,0,0|3,0,0]=4 2749 B12R1.226 CC(C)NCc1cncc(c1)F 2230a_100011962886_100000210206 [0,1,0,0,0,0|3,0,0]=4 2750 B12R1.226 CC(C)NCc1cncc(c1)F 2230a_100138425928_100000725299 [0,1,0,0,0,0|3,0,0]=4 2751 B12R1.226 CC(C)NCc1cncc(c1)F 34a_100011962886_100000210206 [0,1,0,0,0,0|3,0,0]=4 2752 B12R1.226 CC(C)NCc1cncc(c1)F 34a_100138425928_100000725299 [0,1,0,0,0,0|3,0,0]=4 2753 B12R1.226 CC(C)NCc1cncc(c1)O 207a_100138425928_100012187055 [0,1,0,0,0,0|3,0,0]=4 2754 B12R1.226 CC(C)OCc1cc(ccn1)Br 34a_100000212225_100010173614 [0,1,0,0,0,0|3,0,0]=4 2755 B12R1.226 CC(C)OCc1cc(ccn1)Cl 34a_100000212225_100016988179 [0,1,0,0,0,0|3,0,0]=4 2756 B12R1.226 CC(C)OCc1cc(ccn1)Cl 34a_100000748867_100000210206 [0,1,0,0,0,0|3,0,0]=4 2757 B12R1.226 CC(C)OCc1cc(ccn1)N 34a_100000692640_100000210206 [0,1,0,0,0,0|3,0,0]=4 2758 B12R1.226 CC(C)OCc1ccc[n+](c1)[O-] 34a_100000037817_100000210206 [0,1,0,0,0,0|3,0,0]=4 2759 B12R1.226 CC(C)OCc1ccc[n+](c1)[O-] 7a_100000037817_100000210206 [0,1,0,0,0,0|3,0,0]=4 2760 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000212225_100000698116 [0,1,0,0,0,0|2,0,0]=3 2761 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000687537_100000210206 [0,1,0,0,0,0|2,0,0]=3 2762 B12R1.226 CC(C)OCc1cccc(c1)Br 7a_100000687537_100000210206 [0,1,0,0,0,0|2,0,0]=3 2763 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000212225_100000187163 [0,1,0,0,0,0|2,0,0]=3 2764 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000241301_100000210206 [0,1,0,0,0,0|2,0,0]=3 2765 B12R1.226 CC(C)OCc1cccc(c1)Cl 7a_100000241301_100000210206 [0,1,0,0,0,0|2,0,0]=3 2766 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000210976_100000210206 [0,1,0,0,0,0|2,0,0]=3 2767 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000212225_100000187166 [0,1,0,0,0,0|2,0,0]=3 2768 B12R1.226 CC(C)OCc1cccc(c1)F 7a_100000210976_100000210206 [0,1,0,0,0,0|2,0,0]=3 2769 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100000212225_100011218688 [0,1,0,0,0,0|2,0,0]=3 2770 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100011215336_100000210206 [0,1,0,0,0,0|2,0,0]=3 2771 B12R1.226 CC(C)OCc1cccc(c1)I 7a_100011215336_100000210206 [0,1,0,0,0,0|2,0,0]=3 2772 B12R1.226 CC(C)OCc1cccc(c1)N 34a_100000211919_100000210206 [0,1,0,0,0,0|2,0,0]=3 2773 B12R1.226 CC(C)OCc1cccc(c1)O 34a_100000212225_100011660834 [0,1,0,0,0,0|2,0,0]=3 2774 B12R1.226 CC(C)OCc1cccc(n1)Br 34a_100000212225_100009889011 [0,1,0,0,0,0|3,0,0]=4 2775 B12R1.226 CC(C)OCc1cccc(n1)Br 34a_100000694195_100000210206 [0,1,0,0,0,0|3,0,0]=4 2776 B12R1.226 CC(C)OCc1cccc(n1)Cl 34a_100000212225_100000086093 [0,1,0,0,0,0|3,0,0]=4 2777 B12R1.226 CC(C)OCc1cccc(n1)Cl 34a_100011998359_100000210206 [0,1,0,0,0,0|3,0,0]=4 2778 B12R1.226 CC(C)OCc1cccc(n1)F 34a_100000086748_100000210206 [0,1,0,0,0,0|3,0,0]=4 2779 B12R1.226 CC(C)OCc1cccc(n1)F 34a_100000212225_100009819644 [0,1,0,0,0,0|3,0,0]=4 2780 B12R1.226 CC(C)OCc1ccnc(c1)Br 34a_100000212225_100010243470 [0,1,0,0,0,0|3,0,0]=4 2781 B12R1.226 CC(C)OCc1ccnc(c1)Br 34a_100009814636_100000210206 [0,1,0,0,0,0|3,0,0]=4 2782 B12R1.226 CC(C)OCc1ccnc(c1)Br 7a_100009814636_100000210206 [0,1,0,0,0,0|3,0,0]=4 2783 B12R1.226 CC(C)OCc1ccnc(c1)Cl 34a_100000212225_100000764220 [0,1,0,0,0,0|3,0,0]=4 2784 B12R1.226 CC(C)OCc1ccnc(c1)Cl 34a_100000748751_100000210206 [0,1,0,0,0,0|3,0,0]=4 2785 B12R1.226 CC(C)OCc1ccnc(c1)F 34a_100000082451_100000210206 [0,1,0,0,0,0|3,0,0]=4 2786 B12R1.226 CC(C)OCc1cncc(c1)Br 34a_100000212225_100000738771 [0,1,0,0,0,0|3,0,0]=4 2787 B12R1.226 CC(C)OCc1cncc(c1)Br 34a_100011259137_100000210206 [0,1,0,0,0,0|3,0,0]=4 2788 B12R1.226 CC(C)OCc1cncc(c1)Br 7a_100011259137_100000210206 [0,1,0,0,0,0|3,0,0]=4 2789 B12R1.226 CC(C)OCc1cncc(c1)Cl 34a_100000092867_100000210206 [0,1,0,0,0,0|3,0,0]=4 2790 B12R1.226 CC(C)OCc1cncc(c1)Cl 34a_100000212225_100016992070 [0,1,0,0,0,0|3,0,0]=4 2791 B12R1.226 CC(C)OCc1cncc(c1)Cl 7a_100000092867_100000210206 [0,1,0,0,0,0|3,0,0]=4 2792 B12R1.226 CC(C)OCc1cncc(c1)F 34a_100000212225_100000725299 [0,1,0,0,0,0|3,0,0]=4 2793 B12R1.226 CC(C)OCc1cncc(c1)F 34a_100011962875_100000210206 [0,1,0,0,0,0|3,0,0]=4 2794 B12R1.226 CC(C)OCc1cncc(c1)F 7a_100011962875_100000210206 [0,1,0,0,0,0|3,0,0]=4 2795 B12R1.226 CC(C)OCc1cncc(c1)N 34a_100000085308_100000210206 [0,1,0,0,0,0|3,0,0]=4 2796 B12R1.226 CC(C)SCc1cc(ccn1)Br 62a_100000210206_100010173614 [0,1,0,0,0,0|3,0,0]=4 2797 B12R1.226 CC(C)SCc1cc(ccn1)Br 62a_100010173614_100000210206 [0,1,0,0,0,0|3,0,0]=4 2798 B12R1.226 CC(C)SCc1cc(ccn1)Cl 62a_100000210206_100016988179 [0,1,0,0,0,0|3,0,0]=4 2799 B12R1.226 CC(C)SCc1cc(ccn1)Cl 62a_100016988179_100000210206 [0,1,0,0,0,0|3,0,0]=4 2800 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000210206_100000211773 [0,1,0,0,0,0|2,0,0]=3 2801 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000211773_100000210206 [0,1,0,0,0,0|2,0,0]=3 2802 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000187163_100000210206 [0,1,0,0,0,0|2,0,0]=3 2803 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000210206_100000187163 [0,1,0,0,0,0|2,0,0]=3 2804 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000210206_100000230114 [0,1,0,0,0,0|2,0,0]=3 2805 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000230114_100000210206 [0,1,0,0,0,0|2,0,0]=3 2806 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100000210206_100011218688 [0,1,0,0,0,0|2,0,0]=3 2807 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100011218688_100000210206 [0,1,0,0,0,0|2,0,0]=3 2808 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100000210206_100011660834 [0,1,0,0,0,0|2,0,0]=3 2809 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100011660834_100000210206 [0,1,0,0,0,0|2,0,0]=3 2810 B12R1.226 CC(C)SCc1cccc(n1)Br 62a_100000210206_100009889011 [0,1,0,0,0,0|3,0,0]=4 2811 B12R1.226 CC(C)SCc1cccc(n1)Br 62a_100009889011_100000210206 [0,1,0,0,0,0|3,0,0]=4 2812 B12R1.226 CC(C)SCc1cccc(n1)Cl 62a_100000086093_100000210206 [0,1,0,0,0,0|3,0,0]=4 2813 B12R1.226 CC(C)SCc1cccc(n1)Cl 62a_100000210206_100000086093 [0,1,0,0,0,0|3,0,0]=4 2814 B12R1.226 CC(C)SCc1cccc(n1)F 62a_100000210206_100009819644 [0,1,0,0,0,0|3,0,0]=4 2815 B12R1.226 CC(C)SCc1cccc(n1)F 62a_100009819644_100000210206 [0,1,0,0,0,0|3,0,0]=4 2816 B12R1.226 CC(C)SCc1ccnc(c1)Br 62a_100000210206_100010243470 [0,1,0,0,0,0|3,0,0]=4 2817 B12R1.226 CC(C)SCc1ccnc(c1)Br 62a_100010254460_100000210206 [0,1,0,0,0,0|3,0,0]=4 2818 B12R1.226 CC(C)SCc1ccnc(c1)Cl 62a_100000210206_100000764220 [0,1,0,0,0,0|3,0,0]=4 2819 B12R1.226 CC(C)SCc1ccnc(c1)Cl 62a_100000764220_100000210206 [0,1,0,0,0,0|3,0,0]=4 2820 B12R1.226 CC(C)SCc1cncc(c1)Br 62a_100000210206_100000738771 [0,1,0,0,0,0|3,0,0]=4 2821 B12R1.226 CC(C)SCc1cncc(c1)Br 62a_100000738771_100000210206 [0,1,0,0,0,0|3,0,0]=4 2822 B12R1.226 CC(C)SCc1cncc(c1)Cl 62a_100000210206_100016992070 [0,1,0,0,0,0|3,0,0]=4 2823 B12R1.226 CC(C)SCc1cncc(c1)Cl 62a_100016992070_100000210206 [0,1,0,0,0,0|3,0,0]=4 2824 B12R1.226 CC(C)SCc1cncc(c1)F 62a_100000210206_100000725299 [0,1,0,0,0,0|3,0,0]=4 2825 B12R1.226 CC(C)SCc1cncc(c1)F 62a_100000725299_100000210206 [0,1,0,0,0,0|3,0,0]=4 2826 B12R1.226 CC(O)C=Cc1cc(ccn1)Cl 271570a_200011019289_100010167805 [0,1,0,0,0,0|1,0,2]=4 2827 B12R1.226 CC(O)C=Cc1cc(ccn1)F 271570a_200011019289_100009817058 [0,1,0,0,0,0|1,0,2]=4 2828 B12R1.226 CC(O)C=Cc1cc(ccn1)N 271570a_200011019289_100009814236 [0,1,0,0,0,0|1,0,2]=4 2829 B12R1.226 CC(O)C=Cc1cc(ccn1)O 271570a_200011019289_100000762945 [0,1,0,0,0,0|1,0,2]=4 2830 B12R1.226 CC(O)C=Cc1cc[nH]c(=O)c1 271570a_200011019289_100009816521 [0,1,0,0,0,0|1,0,2]=4 2831 B12R1.226 CC(O)C=Cc1ccc[n+](c1)C 271570a_200011019289_100009996589 [0,1,0,0,0,0|1,0,2]=4 2832 B12R1.226 CC(O)C=Cc1ccc[n+](c1)[O-] 271570a_200011019289_100009815978 [0,1,0,0,0,0|1,0,2]=4 2833 B12R1.226 CC(O)C=Cc1cccc(=O)[nH]1 271570a_200011019289_100000761760 [0,1,0,0,0,0|1,0,2]=4 2834 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [0,1,0,0,0,0|0,0,2]=3 2835 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [0,1,0,0,0,0|0,0,2]=3 2836 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [0,1,0,0,0,0|0,0,2]=3 2837 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [0,1,0,0,0,0|0,0,2]=3 2838 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [0,1,0,0,0,0|0,0,2]=3 2839 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [0,1,0,0,0,0|0,0,2]=3 2840 B12R1.226 CC(O)C=Cc1cccc(n1)Br 271570a_200011019289_100000684672 [0,1,0,0,0,0|1,0,2]=4 2841 B12R1.226 CC(O)C=Cc1cccc(n1)F 271570a_200011019289_100009815982 [0,1,0,0,0,0|1,0,2]=4 2842 B12R1.226 CC(O)C=Cc1cccc(n1)N 271570a_200011019289_100000740741 [0,1,0,0,0,0|1,0,2]=4 2843 B12R1.226 CC(O)C=Cc1ccnc(c1)Br 271570a_200011019289_100009814637 [0,1,0,0,0,0|1,0,2]=4 2844 B12R1.226 CC(O)C=Cc1ccnc(c1)Cl 271570a_200011019289_100000035001 [0,1,0,0,0,0|1,0,2]=4 2845 B12R1.226 CC(O)C=Cc1ccnc(c1)F 271570a_200011019289_100009816116 [0,1,0,0,0,0|1,0,2]=4 2846 B12R1.226 CC(O)C=Cc1ccnc(c1)N 271570a_200011019289_100000744379 [0,1,0,0,0,0|1,0,2]=4 2847 B12R1.226 CC(O)C=Cc1cncc(c1)Br 271570a_200011019289_100000728054 [0,1,0,0,0,0|1,0,2]=4 2848 B12R1.226 CC(O)C=Cc1cncc(c1)Cl 271570a_200011019289_100000049639 [0,1,0,0,0,0|1,0,2]=4 2849 B12R1.226 CC(O)C=Cc1cncc(c1)F 271570a_200011019289_100000744099 [0,1,0,0,0,0|1,0,2]=4 2850 B12R1.226 CC(O)C=Cc1cncc(c1)N 271570a_200011019289_100000687067 [0,1,0,0,0,0|1,0,2]=4 2851 B12R1.226 CC(O)C=Cc1cncc(c1)O 271570a_200011019289_100000754920 [0,1,0,0,0,0|1,0,2]=4 2852 B12R1.226 CC(O)CNc1c[n+](ccn1)[O-] 27a_100000210904_100009880115 [0,1,0,0,0,0|3,0,0]=4 2853 B12R1.226 CC(O)CNc1cc(ccn1)F 27a_100000210904_100000764206 [0,1,0,0,0,0|2,0,0]=3 2854 B12R1.226 CC(O)CNc1cc(ncn1)F 27a_100000210904_200009880791 [0,1,0,0,0,0|3,0,0]=4 2855 B12R1.226 CC(O)CNc1cc(ncn1)N 27a_100000210904_100000701291 [0,1,0,0,0,0|3,0,0]=4 2856 B12R1.226 CC(O)CNc1cc(ncn1)O 27a_100000210904_100000765262 [0,1,0,0,0,0|3,0,0]=4 2857 B12R1.226 CC(O)CNc1cc[nH]c(=O)c1 27a_100000210904_100000061649 [0,1,0,0,0,0|2,0,0]=3 2858 B12R1.226 CC(O)CNc1cc[nH]c(=O)n1 27a_100000210904_200000134032 [0,1,0,0,0,0|3,0,0]=4 2859 B12R1.226 CC(O)CNc1cccc(c1)Br 34a_100000210019_100011218427 [0,1,0,0,0,0|1,0,0]=2 2860 B12R1.226 CC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218427 [0,1,0,0,0,0|1,0,0]=2 2861 B12R1.226 CC(O)CNc1cccc(c1)F 34a_100000210047_100011218427 [0,1,0,0,0,0|1,0,0]=2 2862 B12R1.226 CC(O)CNc1cccc(c1)I 34a_100000211102_100011218427 [0,1,0,0,0,0|1,0,0]=2 2863 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [0,1,0,0,0,0|1,0,0]=2 2864 B12R1.226 CC(O)CNc1cccc(n1)F 27a_100000210904_100009815982 [0,1,0,0,0,0|2,0,0]=3 2865 B12R1.226 CC(O)CNc1ccnc(c1)F 27a_100000210904_100009816116 [0,1,0,0,0,0|2,0,0]=3 2866 B12R1.226 CC(O)CNc1ccnc(n1)N 27a_100000210904_100000055538 [0,1,0,0,0,0|3,0,0]=4 2867 B12R1.226 CC(O)CNc1cncc(n1)Cl 27a_100000210904_100010892449 [0,1,0,0,0,0|3,0,0]=4 2868 B12R1.226 CC(O)CNc1cncc(n1)F 27a_100000210904_200009863489 [0,1,0,0,0,0|3,0,0]=4 2869 B12R1.226 CC(O)CNc1nccc(n1)N 27a_100000210904_100000757536 [0,1,0,0,0,0|3,0,0]=4 2870 B12R1.226 CC(O)CNc1nccc(n1)O 27a_100000210904_100011649813 [0,1,0,0,0,0|3,0,0]=4 2871 B12R1.226 CC(O)COc1cc[nH]c(=O)c1 34a_100000032262_100011218427 [0,1,0,0,0,0|2,0,0]=3 2872 B12R1.226 CC(O)COc1ccc[n+](c1)[O-] 34a_100000039713_100011218427 [0,1,0,0,0,0|2,0,0]=3 2873 B12R1.226 CC(O)COc1ccc[n+](c1)[O-] 7a_100000039713_100011218427 [0,1,0,0,0,0|2,0,0]=3 2874 B12R1.226 CC(O)COc1cccc(=O)[nH]1 34a_100000033347_100011218427 [0,1,0,0,0,0|2,0,0]=3 2875 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,1,0,0,0,0|1,0,0]=2 2876 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,1,0,0,0,0|1,0,0]=2 2877 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,1,0,0,0,0|1,0,0]=2 2878 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,1,0,0,0,0|1,0,0]=2 2879 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,1,0,0,0,0|1,0,0]=2 2880 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,1,0,0,0,0|1,0,0]=2 2881 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,1,0,0,0,0|1,0,0]=2 2882 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,1,0,0,0,0|1,0,0]=2 2883 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,1,0,0,0,0|1,0,0]=2 2884 B12R1.226 CC(O)COc1cccc(n1)F 34a_100011432558_100011218427 [0,1,0,0,0,0|2,0,0]=3 2885 B12R1.226 CC(O)COc1ccnc(c1)Cl 34a_100000762945_100011218427 [0,1,0,0,0,0|2,0,0]=3 2886 B12R1.226 CC(O)COc1ccnc(c1)F 34a_100000732698_100011218427 [0,1,0,0,0,0|2,0,0]=3 2887 B12R1.226 CC(O)COc1ccnc(c1)N 34a_100011834064_100011218427 [0,1,0,0,0,0|2,0,0]=3 2888 B12R1.226 CC(O)COc1cncc(c1)Br 34a_100000754920_100011218427 [0,1,0,0,0,0|2,0,0]=3 2889 B12R1.226 CC(O)COc1cncc(c1)Br 7a_100000754920_100011218427 [0,1,0,0,0,0|2,0,0]=3 2890 B12R1.226 CC(O)COc1cncc(c1)Cl 7a_100000032511_100011218427 [0,1,0,0,0,0|2,0,0]=3 2891 B12R1.226 CC(O)COc1cncc(c1)F 34a_100011830296_100011218427 [0,1,0,0,0,0|2,0,0]=3 2892 B12R1.226 CC(O)COc1cncc(c1)F 7a_100011830296_100011218427 [0,1,0,0,0,0|2,0,0]=3 2893 B12R1.226 CC(O)COc1cncc(c1)N 34a_100011997051_100011218427 [0,1,0,0,0,0|2,0,0]=3 2894 B12R1.226 CC(O)COc1cnnc(c1)Cl 34a_200010734679_100011218427 [0,1,0,0,0,0|3,0,0]=4 2895 B12R1.226 CC(O)COc1cnnc(c1)N 34a_200015193112_100011218427 [0,1,0,0,0,0|3,0,0]=4 2896 B12R1.226 CC(O)CSc1c[n+](ccn1)[O-] 62a_100011218427_100009880115 [0,1,0,0,0,0|3,0,0]=4 2897 B12R1.226 CC(O)CSc1cc(=O)[nH]cn1 62a_100012002517_100011218427 [0,1,0,0,0,0|3,0,0]=4 2898 B12R1.226 CC(O)CSc1cc(=O)cc[nH]1 62a_100009817434_100011218427 [0,1,0,0,0,0|2,0,0]=3 2899 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011218427 [0,1,0,0,0,0|2,0,0]=3 2900 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100011218427_100010167805 [0,1,0,0,0,0|2,0,0]=3 2901 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100000764206_100011218427 [0,1,0,0,0,0|2,0,0]=3 2902 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100011218427_100000764206 [0,1,0,0,0,0|2,0,0]=3 2903 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100009814236_100011218427 [0,1,0,0,0,0|2,0,0]=3 2904 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100011218427_100009814236 [0,1,0,0,0,0|2,0,0]=3 2905 B12R1.226 CC(O)CSc1cc(ccn1)O 62a_100011218427_100000762945 [0,1,0,0,0,0|2,0,0]=3 2906 B12R1.226 CC(O)CSc1cc(cnn1)N 62a_100011218427_100011996757 [0,1,0,0,0,0|3,0,0]=4 2907 B12R1.226 CC(O)CSc1cc(cnn1)N 62a_100011996757_100011218427 [0,1,0,0,0,0|3,0,0]=4 2908 B12R1.226 CC(O)CSc1cc(cnn1)O 62a_100011218427_200010734679 [0,1,0,0,0,0|3,0,0]=4 2909 B12R1.226 CC(O)CSc1cc(ncn1)Cl 62a_100010161198_100011218427 [0,1,0,0,0,0|3,0,0]=4 2910 B12R1.226 CC(O)CSc1cc(ncn1)Cl 62a_100011218427_100010161198 [0,1,0,0,0,0|3,0,0]=4 2911 B12R1.226 CC(O)CSc1cc(ncn1)F 62a_100011218427_200009880791 [0,1,0,0,0,0|3,0,0]=4 2912 B12R1.226 CC(O)CSc1cc(ncn1)F 62a_200009880791_100011218427 [0,1,0,0,0,0|3,0,0]=4 2913 B12R1.226 CC(O)CSc1cc(ncn1)N 62a_100000701291_100011218427 [0,1,0,0,0,0|3,0,0]=4 2914 B12R1.226 CC(O)CSc1cc(ncn1)N 62a_100011218427_100000701291 [0,1,0,0,0,0|3,0,0]=4 2915 B12R1.226 CC(O)CSc1cc(ncn1)O 62a_100011218427_100000765262 [0,1,0,0,0,0|3,0,0]=4 2916 B12R1.226 CC(O)CSc1cc[nH]c(=O)c1 62a_100009816521_100011218427 [0,1,0,0,0,0|2,0,0]=3 2917 B12R1.226 CC(O)CSc1cc[nH]c(=O)c1 62a_100011218427_100009816521 [0,1,0,0,0,0|2,0,0]=3 2918 B12R1.226 CC(O)CSc1cc[nH]c(=O)n1 62a_100011218427_200000134032 [0,1,0,0,0,0|3,0,0]=4 2919 B12R1.226 CC(O)CSc1ccc[n+](c1)C 62a_100009996589_100011218427 [0,1,0,0,0,0|2,0,0]=3 2920 B12R1.226 CC(O)CSc1ccc[n+](c1)C 62a_100011218427_100009996589 [0,1,0,0,0,0|2,0,0]=3 2921 B12R1.226 CC(O)CSc1ccc[n+](c1)[O-] 62a_100011218427_100009815978 [0,1,0,0,0,0|2,0,0]=3 2922 B12R1.226 CC(O)CSc1cccc(=O)[nH]1 62a_100011218427_100000752884 [0,1,0,0,0,0|2,0,0]=3 2923 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100000691529_100011218427 [0,1,0,0,0,0|1,0,0]=2 2924 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100011218427_100000691529 [0,1,0,0,0,0|1,0,0]=2 2925 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218427 [0,1,0,0,0,0|1,0,0]=2 2926 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100011218427_100000699651 [0,1,0,0,0,0|1,0,0]=2 2927 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100000685547_100011218427 [0,1,0,0,0,0|1,0,0]=2 2928 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100011218427_100000685547 [0,1,0,0,0,0|1,0,0]=2 2929 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100000210019_100011218427 [0,1,0,0,0,0|1,0,0]=2 2930 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100011218427_100000210019 [0,1,0,0,0,0|1,0,0]=2 2931 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [0,1,0,0,0,0|1,0,0]=2 2932 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_100011218427_114929384022 [0,1,0,0,0,0|1,0,0]=2 2933 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218427 [0,1,0,0,0,0|1,0,0]=2 2934 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100000684672_100011218427 [0,1,0,0,0,0|2,0,0]=3 2935 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100011218427_100000684672 [0,1,0,0,0,0|2,0,0]=3 2936 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100000051397_100011218427 [0,1,0,0,0,0|2,0,0]=3 2937 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100011218427_100000051397 [0,1,0,0,0,0|2,0,0]=3 2938 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100009815982_100011218427 [0,1,0,0,0,0|2,0,0]=3 2939 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100011218427_100009815982 [0,1,0,0,0,0|2,0,0]=3 2940 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100000740741_100011218427 [0,1,0,0,0,0|2,0,0]=3 2941 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100011218427_100000740741 [0,1,0,0,0,0|2,0,0]=3 2942 B12R1.226 CC(O)CSc1ccnc(c1)Br 62a_100009814637_100011218427 [0,1,0,0,0,0|2,0,0]=3 2943 B12R1.226 CC(O)CSc1ccnc(c1)Br 62a_100011218427_100009814637 [0,1,0,0,0,0|2,0,0]=3 2944 B12R1.226 CC(O)CSc1ccnc(c1)Cl 62a_100000035001_100011218427 [0,1,0,0,0,0|2,0,0]=3 2945 B12R1.226 CC(O)CSc1ccnc(c1)Cl 62a_100011218427_100000035001 [0,1,0,0,0,0|2,0,0]=3 2946 B12R1.226 CC(O)CSc1ccnc(c1)F 62a_100009816116_100011218427 [0,1,0,0,0,0|2,0,0]=3 2947 B12R1.226 CC(O)CSc1ccnc(c1)F 62a_100011218427_100009816116 [0,1,0,0,0,0|2,0,0]=3 2948 B12R1.226 CC(O)CSc1ccnc(c1)N 62a_100000049665_100011218427 [0,1,0,0,0,0|2,0,0]=3 2949 B12R1.226 CC(O)CSc1ccnc(c1)N 62a_100011218427_100000049665 [0,1,0,0,0,0|2,0,0]=3 2950 B12R1.226 CC(O)CSc1ccnc(n1)Cl 62a_100010154678_100011218427 [0,1,0,0,0,0|3,0,0]=4 2951 B12R1.226 CC(O)CSc1ccnc(n1)Cl 62a_100011218427_100010154678 [0,1,0,0,0,0|3,0,0]=4 2952 B12R1.226 CC(O)CSc1ccnc(n1)N 62a_100000055538_100011218427 [0,1,0,0,0,0|3,0,0]=4 2953 B12R1.226 CC(O)CSc1ccnc(n1)N 62a_100011218427_100000055538 [0,1,0,0,0,0|3,0,0]=4 2954 B12R1.226 CC(O)CSc1cn[nH]c(=O)c1 62a_100011218427_100010197405 [0,1,0,0,0,0|3,0,0]=4 2955 B12R1.226 CC(O)CSc1cncc(c1)Br 62a_100000728054_100011218427 [0,1,0,0,0,0|2,0,0]=3 2956 B12R1.226 CC(O)CSc1cncc(c1)Br 62a_100011218427_100000728054 [0,1,0,0,0,0|2,0,0]=3 2957 B12R1.226 CC(O)CSc1cncc(c1)Cl 62a_100000049639_100011218427 [0,1,0,0,0,0|2,0,0]=3 2958 B12R1.226 CC(O)CSc1cncc(c1)Cl 62a_100011218427_100000049639 [0,1,0,0,0,0|2,0,0]=3 2959 B12R1.226 CC(O)CSc1cncc(c1)F 62a_100000744099_100011218427 [0,1,0,0,0,0|2,0,0]=3 2960 B12R1.226 CC(O)CSc1cncc(c1)F 62a_100011218427_100000744099 [0,1,0,0,0,0|2,0,0]=3 2961 B12R1.226 CC(O)CSc1cncc(c1)N 62a_100000687067_100011218427 [0,1,0,0,0,0|2,0,0]=3 2962 B12R1.226 CC(O)CSc1cncc(c1)N 62a_100011218427_100000687067 [0,1,0,0,0,0|2,0,0]=3 2963 B12R1.226 CC(O)CSc1cncc(c1)O 62a_100000754920_100011218427 [0,1,0,0,0,0|2,0,0]=3 2964 B12R1.226 CC(O)CSc1cncc(c1)O 62a_100011218427_100000754920 [0,1,0,0,0,0|2,0,0]=3 2965 B12R1.226 CC(O)CSc1cncc(n1)Cl 62a_100010892449_100011218427 [0,1,0,0,0,0|3,0,0]=4 2966 B12R1.226 CC(O)CSc1cncc(n1)Cl 62a_100011218427_100010892449 [0,1,0,0,0,0|3,0,0]=4 2967 B12R1.226 CC(O)CSc1cncc(n1)F 62a_100011218427_200009863489 [0,1,0,0,0,0|3,0,0]=4 2968 B12R1.226 CC(O)CSc1cncc(n1)F 62a_200009863489_100011218427 [0,1,0,0,0,0|3,0,0]=4 2969 B12R1.226 CC(O)CSc1cncc(n1)N 62a_100000747728_100011218427 [0,1,0,0,0,0|3,0,0]=4 2970 B12R1.226 CC(O)CSc1cncc(n1)N 62a_100011218427_100000747728 [0,1,0,0,0,0|3,0,0]=4 2971 B12R1.226 CC(O)CSc1cncc(n1)O 62a_100011218427_100011269956 [0,1,0,0,0,0|3,0,0]=4 2972 B12R1.226 CC(O)CSc1cnnc(c1)N 62a_100000130277_100011218427 [0,1,0,0,0,0|3,0,0]=4 2973 B12R1.226 CC(O)CSc1cnnc(c1)N 62a_100011218427_100000130277 [0,1,0,0,0,0|3,0,0]=4 2974 B12R1.226 CC(O)CSc1nccc(n1)N 62a_100000757536_100011218427 [0,1,0,0,0,0|3,0,0]=4 2975 B12R1.226 CC(O)CSc1nccc(n1)N 62a_100011218427_100000757536 [0,1,0,0,0,0|3,0,0]=4 2976 B12R1.226 CC(O)CSc1nccc(n1)O 62a_100011218427_100011649813 [0,1,0,0,0,0|3,0,0]=4 2977 B12R1.226 CN(C)CCc1cccc(c1)Br 2230a_100102631434_100011740638 [0,1,0,0,0,0|2,0,0]=3 2978 B12R1.226 CN(C)CCc1cccc(c1)Br 269982a_100102631434_100011740638 [0,1,0,0,0,0|2,0,0]=3 2979 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_100102631434_100011713710 [0,1,0,0,0,0|2,0,0]=3 2980 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_106726388433_200000210301 [0,1,0,0,0,0|2,0,0]=3 2981 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_100102631434_100011713710 [0,1,0,0,0,0|2,0,0]=3 2982 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_106726388433_200000210301 [0,1,0,0,0,0|2,0,0]=3 2983 B12R1.226 CN(C)CCc1cccc(c1)Cl 34a_106726388433_200000210301 [0,1,0,0,0,0|2,0,0]=3 2984 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_100102631434_100011217235 [0,1,0,0,0,0|2,0,0]=3 2985 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_106726388868_200000210301 [0,1,0,0,0,0|2,0,0]=3 2986 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_100102631434_100011217235 [0,1,0,0,0,0|2,0,0]=3 2987 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_106726388868_200000210301 [0,1,0,0,0,0|2,0,0]=3 2988 B12R1.226 CN(C)CCc1cccc(c1)F 34a_106726388868_200000210301 [0,1,0,0,0,0|2,0,0]=3 2989 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 2230a_106726388433_200025704644 [0,1,0,0,0,0|2,0,0]=3 2990 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 269982a_106726388433_200025704644 [0,1,0,0,0,0|2,0,0]=3 2991 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 34a_106726388433_200025704644 [0,1,0,0,0,0|2,0,0]=3 2992 B12R1.226 CN([13CH3])CCc1cccc(c1)F 2230a_106726388868_200025704644 [0,1,0,0,0,0|2,0,0]=3 2993 B12R1.226 CN([13CH3])CCc1cccc(c1)F 269982a_106726388868_200025704644 [0,1,0,0,0,0|2,0,0]=3 2994 B12R1.226 CN([13CH3])CCc1cccc(c1)F 34a_106726388868_200025704644 [0,1,0,0,0,0|2,0,0]=3 2995 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 34a_100000210019_100009817552 [0,1,0,0,0,0|1,0,0]=2 2996 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009817552 [0,1,0,0,0,0|1,0,0]=2 2997 B12R1.226 C[C@@H](O)CNc1cccc(c1)F 34a_100000210047_100009817552 [0,1,0,0,0,0|1,0,0]=2 2998 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 34a_100000211102_100009817552 [0,1,0,0,0,0|1,0,0]=2 2999 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [0,1,0,0,0,0|1,0,0]=2 3000 B12R1.226 C[C@@H](O)COc1cc[nH]c(=O)c1 34a_100000032262_100009817552 [0,1,0,0,0,0|2,0,0]=3 3001 B12R1.226 C[C@@H](O)COc1ccc[n+](c1)[O-] 34a_100000039713_100009817552 [0,1,0,0,0,0|2,0,0]=3 3002 B12R1.226 C[C@@H](O)COc1ccc[n+](c1)[O-] 7a_100000039713_100009817552 [0,1,0,0,0,0|2,0,0]=3 3003 B12R1.226 C[C@@H](O)COc1cccc(=O)[nH]1 34a_100000033347_100009817552 [0,1,0,0,0,0|2,0,0]=3 3004 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,1,0,0,0,0|1,0,0]=2 3005 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,1,0,0,0,0|1,0,0]=2 3006 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,1,0,0,0,0|1,0,0]=2 3007 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,1,0,0,0,0|1,0,0]=2 3008 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,1,0,0,0,0|1,0,0]=2 3009 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,1,0,0,0,0|1,0,0]=2 3010 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,1,0,0,0,0|1,0,0]=2 3011 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,1,0,0,0,0|1,0,0]=2 3012 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,1,0,0,0,0|1,0,0]=2 3013 B12R1.226 C[C@@H](O)COc1cccc(n1)F 34a_100011432558_100009817552 [0,1,0,0,0,0|2,0,0]=3 3014 B12R1.226 C[C@@H](O)COc1ccnc(c1)Cl 34a_100000762945_100009817552 [0,1,0,0,0,0|2,0,0]=3 3015 B12R1.226 C[C@@H](O)COc1ccnc(c1)F 34a_100000732698_100009817552 [0,1,0,0,0,0|2,0,0]=3 3016 B12R1.226 C[C@@H](O)COc1ccnc(c1)N 34a_100011834064_100009817552 [0,1,0,0,0,0|2,0,0]=3 3017 B12R1.226 C[C@@H](O)COc1cncc(c1)Br 34a_100000754920_100009817552 [0,1,0,0,0,0|2,0,0]=3 3018 B12R1.226 C[C@@H](O)COc1cncc(c1)Br 7a_100000754920_100009817552 [0,1,0,0,0,0|2,0,0]=3 3019 B12R1.226 C[C@@H](O)COc1cncc(c1)Cl 7a_100000032511_100009817552 [0,1,0,0,0,0|2,0,0]=3 3020 B12R1.226 C[C@@H](O)COc1cncc(c1)F 34a_100011830296_100009817552 [0,1,0,0,0,0|2,0,0]=3 3021 B12R1.226 C[C@@H](O)COc1cncc(c1)F 7a_100011830296_100009817552 [0,1,0,0,0,0|2,0,0]=3 3022 B12R1.226 C[C@@H](O)COc1cncc(c1)N 34a_100011997051_100009817552 [0,1,0,0,0,0|2,0,0]=3 3023 B12R1.226 C[C@@H](O)COc1cnnc(c1)Cl 34a_200010734679_100009817552 [0,1,0,0,0,0|3,0,0]=4 3024 B12R1.226 C[C@@H](O)COc1cnnc(c1)N 34a_200015193112_100009817552 [0,1,0,0,0,0|3,0,0]=4 3025 B12R1.226 C[C@@H](O)CSc1c[n+](ccn1)[O-] 62a_100009817552_100009880115 [0,1,0,0,0,0|3,0,0]=4 3026 B12R1.226 C[C@@H](O)CSc1cc(=O)[nH]cn1 62a_100012002517_100009817552 [0,1,0,0,0,0|3,0,0]=4 3027 B12R1.226 C[C@@H](O)CSc1cc(=O)cc[nH]1 62a_100009817434_100009817552 [0,1,0,0,0,0|2,0,0]=3 3028 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100009817552_100010167805 [0,1,0,0,0,0|2,0,0]=3 3029 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009817552 [0,1,0,0,0,0|2,0,0]=3 3030 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100000764206_100009817552 [0,1,0,0,0,0|2,0,0]=3 3031 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100009817552_100000764206 [0,1,0,0,0,0|2,0,0]=3 3032 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009814236_100009817552 [0,1,0,0,0,0|2,0,0]=3 3033 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009817552_100009814236 [0,1,0,0,0,0|2,0,0]=3 3034 B12R1.226 C[C@@H](O)CSc1cc(ccn1)O 62a_100009817552_100000762945 [0,1,0,0,0,0|2,0,0]=3 3035 B12R1.226 C[C@@H](O)CSc1cc(cnn1)N 62a_100009817552_100011996757 [0,1,0,0,0,0|3,0,0]=4 3036 B12R1.226 C[C@@H](O)CSc1cc(cnn1)N 62a_100011996757_100009817552 [0,1,0,0,0,0|3,0,0]=4 3037 B12R1.226 C[C@@H](O)CSc1cc(cnn1)O 62a_100009817552_200010734679 [0,1,0,0,0,0|3,0,0]=4 3038 B12R1.226 C[C@@H](O)CSc1cc(ncn1)Cl 62a_100009817552_100010161198 [0,1,0,0,0,0|3,0,0]=4 3039 B12R1.226 C[C@@H](O)CSc1cc(ncn1)Cl 62a_100010161198_100009817552 [0,1,0,0,0,0|3,0,0]=4 3040 B12R1.226 C[C@@H](O)CSc1cc(ncn1)F 62a_100009817552_200009880791 [0,1,0,0,0,0|3,0,0]=4 3041 B12R1.226 C[C@@H](O)CSc1cc(ncn1)F 62a_200009880791_100009817552 [0,1,0,0,0,0|3,0,0]=4 3042 B12R1.226 C[C@@H](O)CSc1cc(ncn1)N 62a_100000701291_100009817552 [0,1,0,0,0,0|3,0,0]=4 3043 B12R1.226 C[C@@H](O)CSc1cc(ncn1)N 62a_100009817552_100000701291 [0,1,0,0,0,0|3,0,0]=4 3044 B12R1.226 C[C@@H](O)CSc1cc(ncn1)O 62a_100009817552_100000765262 [0,1,0,0,0,0|3,0,0]=4 3045 B12R1.226 C[C@@H](O)CSc1cc[nH]c(=O)c1 62a_100009816521_100009817552 [0,1,0,0,0,0|2,0,0]=3 3046 B12R1.226 C[C@@H](O)CSc1cc[nH]c(=O)c1 62a_100009817552_100009816521 [0,1,0,0,0,0|2,0,0]=3 3047 B12R1.226 C[C@@H](O)CSc1cc[nH]c(=O)n1 62a_100009817552_200000134032 [0,1,0,0,0,0|3,0,0]=4 3048 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)C 62a_100009817552_100009996589 [0,1,0,0,0,0|2,0,0]=3 3049 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)C 62a_100009996589_100009817552 [0,1,0,0,0,0|2,0,0]=3 3050 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)[O-] 62a_100009817552_100009815978 [0,1,0,0,0,0|2,0,0]=3 3051 B12R1.226 C[C@@H](O)CSc1cccc(=O)[nH]1 62a_100009817552_100000752884 [0,1,0,0,0,0|2,0,0]=3 3052 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100000691529_100009817552 [0,1,0,0,0,0|1,0,0]=2 3053 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100009817552_100000691529 [0,1,0,0,0,0|1,0,0]=2 3054 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009817552 [0,1,0,0,0,0|1,0,0]=2 3055 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100009817552_100000699651 [0,1,0,0,0,0|1,0,0]=2 3056 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100000685547_100009817552 [0,1,0,0,0,0|1,0,0]=2 3057 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100009817552_100000685547 [0,1,0,0,0,0|1,0,0]=2 3058 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100000210019_100009817552 [0,1,0,0,0,0|1,0,0]=2 3059 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100009817552_100000210019 [0,1,0,0,0,0|1,0,0]=2 3060 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [0,1,0,0,0,0|1,0,0]=2 3061 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_100009817552_114929384022 [0,1,0,0,0,0|1,0,0]=2 3062 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009817552 [0,1,0,0,0,0|1,0,0]=2 3063 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100000684672_100009817552 [0,1,0,0,0,0|2,0,0]=3 3064 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100009817552_100000684672 [0,1,0,0,0,0|2,0,0]=3 3065 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009817552 [0,1,0,0,0,0|2,0,0]=3 3066 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100009817552_100000051397 [0,1,0,0,0,0|2,0,0]=3 3067 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009815982_100009817552 [0,1,0,0,0,0|2,0,0]=3 3068 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009817552_100009815982 [0,1,0,0,0,0|2,0,0]=3 3069 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100000740741_100009817552 [0,1,0,0,0,0|2,0,0]=3 3070 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100009817552_100000740741 [0,1,0,0,0,0|2,0,0]=3 3071 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Br 62a_100009814637_100009817552 [0,1,0,0,0,0|2,0,0]=3 3072 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Br 62a_100009817552_100009814637 [0,1,0,0,0,0|2,0,0]=3 3073 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Cl 62a_100000035001_100009817552 [0,1,0,0,0,0|2,0,0]=3 3074 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Cl 62a_100009817552_100000035001 [0,1,0,0,0,0|2,0,0]=3 3075 B12R1.226 C[C@@H](O)CSc1ccnc(c1)F 62a_100009816116_100009817552 [0,1,0,0,0,0|2,0,0]=3 3076 B12R1.226 C[C@@H](O)CSc1ccnc(c1)F 62a_100009817552_100009816116 [0,1,0,0,0,0|2,0,0]=3 3077 B12R1.226 C[C@@H](O)CSc1ccnc(c1)N 62a_100000049665_100009817552 [0,1,0,0,0,0|2,0,0]=3 3078 B12R1.226 C[C@@H](O)CSc1ccnc(c1)N 62a_100009817552_100000049665 [0,1,0,0,0,0|2,0,0]=3 3079 B12R1.226 C[C@@H](O)CSc1ccnc(n1)Cl 62a_100009817552_100010154678 [0,1,0,0,0,0|3,0,0]=4 3080 B12R1.226 C[C@@H](O)CSc1ccnc(n1)Cl 62a_100010154678_100009817552 [0,1,0,0,0,0|3,0,0]=4 3081 B12R1.226 C[C@@H](O)CSc1ccnc(n1)N 62a_100000055538_100009817552 [0,1,0,0,0,0|3,0,0]=4 3082 B12R1.226 C[C@@H](O)CSc1ccnc(n1)N 62a_100009817552_100000055538 [0,1,0,0,0,0|3,0,0]=4 3083 B12R1.226 C[C@@H](O)CSc1cn[nH]c(=O)c1 62a_100009817552_100010197405 [0,1,0,0,0,0|3,0,0]=4 3084 B12R1.226 C[C@@H](O)CSc1cncc(c1)Br 62a_100000728054_100009817552 [0,1,0,0,0,0|2,0,0]=3 3085 B12R1.226 C[C@@H](O)CSc1cncc(c1)Br 62a_100009817552_100000728054 [0,1,0,0,0,0|2,0,0]=3 3086 B12R1.226 C[C@@H](O)CSc1cncc(c1)Cl 62a_100000049639_100009817552 [0,1,0,0,0,0|2,0,0]=3 3087 B12R1.226 C[C@@H](O)CSc1cncc(c1)Cl 62a_100009817552_100000049639 [0,1,0,0,0,0|2,0,0]=3 3088 B12R1.226 C[C@@H](O)CSc1cncc(c1)F 62a_100000744099_100009817552 [0,1,0,0,0,0|2,0,0]=3 3089 B12R1.226 C[C@@H](O)CSc1cncc(c1)F 62a_100009817552_100000744099 [0,1,0,0,0,0|2,0,0]=3 3090 B12R1.226 C[C@@H](O)CSc1cncc(c1)N 62a_100000687067_100009817552 [0,1,0,0,0,0|2,0,0]=3 3091 B12R1.226 C[C@@H](O)CSc1cncc(c1)N 62a_100009817552_100000687067 [0,1,0,0,0,0|2,0,0]=3 3092 B12R1.226 C[C@@H](O)CSc1cncc(c1)O 62a_100000754920_100009817552 [0,1,0,0,0,0|2,0,0]=3 3093 B12R1.226 C[C@@H](O)CSc1cncc(c1)O 62a_100009817552_100000754920 [0,1,0,0,0,0|2,0,0]=3 3094 B12R1.226 C[C@@H](O)CSc1cncc(n1)Cl 62a_100009817552_100010892449 [0,1,0,0,0,0|3,0,0]=4 3095 B12R1.226 C[C@@H](O)CSc1cncc(n1)Cl 62a_100010892449_100009817552 [0,1,0,0,0,0|3,0,0]=4 3096 B12R1.226 C[C@@H](O)CSc1cncc(n1)F 62a_100009817552_200009863489 [0,1,0,0,0,0|3,0,0]=4 3097 B12R1.226 C[C@@H](O)CSc1cncc(n1)F 62a_200009863489_100009817552 [0,1,0,0,0,0|3,0,0]=4 3098 B12R1.226 C[C@@H](O)CSc1cncc(n1)N 62a_100000747728_100009817552 [0,1,0,0,0,0|3,0,0]=4 3099 B12R1.226 C[C@@H](O)CSc1cncc(n1)N 62a_100009817552_100000747728 [0,1,0,0,0,0|3,0,0]=4 3100 B12R1.226 C[C@@H](O)CSc1cncc(n1)O 62a_100009817552_100011269956 [0,1,0,0,0,0|3,0,0]=4 3101 B12R1.226 C[C@@H](O)CSc1cnnc(c1)N 62a_100000130277_100009817552 [0,1,0,0,0,0|3,0,0]=4 3102 B12R1.226 C[C@@H](O)CSc1cnnc(c1)N 62a_100009817552_100000130277 [0,1,0,0,0,0|3,0,0]=4 3103 B12R1.226 C[C@@H](O)CSc1nccc(n1)N 62a_100000757536_100009817552 [0,1,0,0,0,0|3,0,0]=4 3104 B12R1.226 C[C@@H](O)CSc1nccc(n1)N 62a_100009817552_100000757536 [0,1,0,0,0,0|3,0,0]=4 3105 B12R1.226 C[C@@H](O)CSc1nccc(n1)O 62a_100009817552_100011649813 [0,1,0,0,0,0|3,0,0]=4 3106 B12R1.226 Cc1cc(ccn1)C=CC(C)O 271570a_200011019289_100000758586 [0,1,0,0,0,0|1,0,2]=4 3107 B12R1.226 Cc1cc(ccn1)CNC(C)C 207a_100138425928_100011361630 [0,1,0,0,0,0|3,0,0]=4 3108 B12R1.226 Cc1cc(ccn1)CNC(C)C 2230a_100138425928_200020672517 [0,1,0,0,0,0|3,0,0]=4 3109 B12R1.226 Cc1cc(ccn1)CNC(C)C 34a_100011934566_100000210206 [0,1,0,0,0,0|3,0,0]=4 3110 B12R1.226 Cc1cc(ccn1)CNC(C)C 34a_100138425928_200020672517 [0,1,0,0,0,0|3,0,0]=4 3111 B12R1.226 Cc1cc(ccn1)COC(C)C 34a_100000212225_200020672517 [0,1,0,0,0,0|3,0,0]=4 3112 B12R1.226 Cc1cc(ccn1)COC(C)C 34a_100011998630_100000210206 [0,1,0,0,0,0|3,0,0]=4 3113 B12R1.226 Cc1cc(ccn1)CSC(C)C 62a_100000210206_200020672517 [0,1,0,0,0,0|3,0,0]=4 3114 B12R1.226 Cc1cc(ccn1)CSC(C)C 62a_200020672517_100000210206 [0,1,0,0,0,0|3,0,0]=4 3115 B12R1.226 Cc1cc(ccn1)NCC(C)C 27a_100000210953_100000758586 [0,1,0,0,0,0|3,0,0]=4 3116 B12R1.226 Cc1cc(ccn1)NCC(C)O 27a_100000210904_100000758586 [0,1,0,0,0,0|2,0,0]=3 3117 B12R1.226 Cc1cc(ccn1)OCC(C)C 34a_100000688365_100000210624 [0,1,0,0,0,0|3,0,0]=4 3118 B12R1.226 Cc1cc(ccn1)OCC(C)O 34a_100000688365_100011218427 [0,1,0,0,0,0|2,0,0]=3 3119 B12R1.226 Cc1cc(ccn1)OC[C@@H](C)O 34a_100000688365_100009817552 [0,1,0,0,0,0|2,0,0]=3 3120 B12R1.226 Cc1cc(ccn1)SCC(C)C 62a_100000210624_100000758586 [0,1,0,0,0,0|3,0,0]=4 3121 B12R1.226 Cc1cc(ccn1)SCC(C)C 62a_100000758586_100000210760 [0,1,0,0,0,0|3,0,0]=4 3122 B12R1.226 Cc1cc(ccn1)SCC(C)O 62a_100000758586_100011218427 [0,1,0,0,0,0|2,0,0]=3 3123 B12R1.226 Cc1cc(ccn1)SCC(C)O 62a_100011218427_100000758586 [0,1,0,0,0,0|2,0,0]=3 3124 B12R1.226 Cc1cc(ccn1)SC[C@@H](C)O 62a_100000758586_100009817552 [0,1,0,0,0,0|2,0,0]=3 3125 B12R1.226 Cc1cc(ccn1)SC[C@@H](C)O 62a_100009817552_100000758586 [0,1,0,0,0,0|2,0,0]=3 3126 B12R1.226 Cc1cc(ncn1)NCC(C)O 27a_100000210904_100000744208 [0,1,0,0,0,0|3,0,0]=4 3127 B12R1.226 Cc1cc(ncn1)SCC(C)O 62a_100000744208_100011218427 [0,1,0,0,0,0|3,0,0]=4 3128 B12R1.226 Cc1cc(ncn1)SCC(C)O 62a_100011218427_100000744208 [0,1,0,0,0,0|3,0,0]=4 3129 B12R1.226 Cc1cc(ncn1)SC[C@@H](C)O 62a_100000744208_100009817552 [0,1,0,0,0,0|3,0,0]=4 3130 B12R1.226 Cc1cc(ncn1)SC[C@@H](C)O 62a_100009817552_100000744208 [0,1,0,0,0,0|3,0,0]=4 3131 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [0,1,0,0,0,0|1,0,2]=4 3132 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,1,0,0,0,0|0,0,2]=3 3133 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,0|0,0,2]=3 3134 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [0,1,0,0,0,0|2,0,0]=3 3135 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [0,1,0,0,0,0|2,0,0]=3 3136 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [0,1,0,0,0,0|2,0,0]=3 3137 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [0,1,0,0,0,0|2,0,0]=3 3138 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [0,1,0,0,0,0|2,0,0]=3 3139 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [0,1,0,0,0,0|2,0,0]=3 3140 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [0,1,0,0,0,0|2,0,0]=3 3141 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [0,1,0,0,0,0|2,0,0]=3 3142 B12R1.226 Cc1cccc(c1)CNC(C)C 207a_100138425928_100000211157 [0,1,0,0,0,0|2,0,0]=3 3143 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100000185548_100000210206 [0,1,0,0,0,0|2,0,0]=3 3144 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100138425928_100000211840 [0,1,0,0,0,0|2,0,0]=3 3145 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100000185548_100000210206 [0,1,0,0,0,0|2,0,0]=3 3146 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100138425928_100000211840 [0,1,0,0,0,0|2,0,0]=3 3147 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [0,1,0,0,0,0|2,0,0]=3 3148 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [0,1,0,0,0,0|2,0,0]=3 3149 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [0,1,0,0,0,0|2,0,0]=3 3150 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000210206_100000211840 [0,1,0,0,0,0|2,0,0]=3 3151 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000211840_100000210206 [0,1,0,0,0,0|2,0,0]=3 3152 B12R1.226 Cc1cccc(c1)NCC(C)C 2230a_100000188690_100000210760 [0,1,0,0,0,0|2,0,0]=3 3153 B12R1.226 Cc1cccc(c1)NCC(C)C 34a_100000188690_100000210624 [0,1,0,0,0,0|2,0,0]=3 3154 B12R1.226 Cc1cccc(c1)NCC(C)O 2230a_100000188690_100011218427 [0,1,0,0,0,0|1,0,0]=2 3155 B12R1.226 Cc1cccc(c1)NCC(C)O 34a_100000188690_100011218427 [0,1,0,0,0,0|1,0,0]=2 3156 B12R1.226 Cc1cccc(c1)NCC(F)F 2230a_100000188690_100011934356 [0,1,0,0,0,0|3,0,0]=4 3157 B12R1.226 Cc1cccc(c1)NCC(F)F 34a_100000188690_100011934356 [0,1,0,0,0,0|3,0,0]=4 3158 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 2230a_100000188690_100009817552 [0,1,0,0,0,0|1,0,0]=2 3159 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 34a_100000188690_100009817552 [0,1,0,0,0,0|1,0,0]=2 3160 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,0,0|1,0,2]=4 3161 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,1,0,0,0,0|2,0,0]=3 3162 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,1,0,0,0,0|2,0,0]=3 3163 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,1,0,0,0,0|1,0,0]=2 3164 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,1,0,0,0,0|1,0,0]=2 3165 B12R1.226 Cc1cccc(c1)OCC(F)F 34a_100000210337_100011934356 [0,1,0,0,0,0|3,0,0]=4 3166 B12R1.226 Cc1cccc(c1)OCC(F)F 7a_100000210337_100011934356 [0,1,0,0,0,0|3,0,0]=4 3167 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,1,0,0,0,0|1,0,0]=2 3168 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,1,0,0,0,0|1,0,0]=2 3169 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100000210624_100011215228 [0,1,0,0,0,0|2,0,0]=3 3170 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100011215228_100000210760 [0,1,0,0,0,0|2,0,0]=3 3171 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011215228_100011218427 [0,1,0,0,0,0|1,0,0]=2 3172 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215228 [0,1,0,0,0,0|1,0,0]=2 3173 B12R1.226 Cc1cccc(c1)SCC(F)F 62a_100011215228_100011934356 [0,1,0,0,0,0|3,0,0]=4 3174 B12R1.226 Cc1cccc(c1)SCC(F)F 62a_100011934356_100011215228 [0,1,0,0,0,0|3,0,0]=4 3175 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215228 [0,1,0,0,0,0|1,0,0]=2 3176 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100011215228_100009817552 [0,1,0,0,0,0|1,0,0]=2 3177 B12R1.226 Cc1cccc(n1)C=CC(C)O 271570a_200011019289_100000742759 [0,1,0,0,0,0|1,0,2]=4 3178 B12R1.226 Cc1cccc(n1)CNC(C)C 207a_100138425928_100011215050 [0,1,0,0,0,0|3,0,0]=4 3179 B12R1.226 Cc1cccc(n1)CNC(C)C 2230a_100138425928_100000757606 [0,1,0,0,0,0|3,0,0]=4 3180 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100000701342_100000210206 [0,1,0,0,0,0|3,0,0]=4 3181 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100138425928_100000757606 [0,1,0,0,0,0|3,0,0]=4 3182 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000212225_100000757606 [0,1,0,0,0,0|3,0,0]=4 3183 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000690600_100000210206 [0,1,0,0,0,0|3,0,0]=4 3184 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000210206_100000757606 [0,1,0,0,0,0|3,0,0]=4 3185 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000757606_100000210206 [0,1,0,0,0,0|3,0,0]=4 3186 B12R1.226 Cc1cccc(n1)SCC(C)C 62a_100000210624_100000742759 [0,1,0,0,0,0|3,0,0]=4 3187 B12R1.226 Cc1cccc(n1)SCC(C)C 62a_100000742759_100000210760 [0,1,0,0,0,0|3,0,0]=4 3188 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100000742759_100011218427 [0,1,0,0,0,0|2,0,0]=3 3189 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100011218427_100000742759 [0,1,0,0,0,0|2,0,0]=3 3190 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100000742759_100009817552 [0,1,0,0,0,0|2,0,0]=3 3191 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100000742759 [0,1,0,0,0,0|2,0,0]=3 3192 B12R1.226 Cc1ccnc(c1)C=CC(C)O 271570a_200011019289_100000750283 [0,1,0,0,0,0|1,0,2]=4 3193 B12R1.226 Cc1ccnc(c1)CNC(C)C 207a_100138425928_100011361488 [0,1,0,0,0,0|3,0,0]=4 3194 B12R1.226 Cc1ccnc(c1)CNC(C)C 2230a_100138425928_100000718516 [0,1,0,0,0,0|3,0,0]=4 3195 B12R1.226 Cc1ccnc(c1)CNC(C)C 34a_100138425928_100000718516 [0,1,0,0,0,0|3,0,0]=4 3196 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100000212225_100000718516 [0,1,0,0,0,0|3,0,0]=4 3197 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100011998357_100000210206 [0,1,0,0,0,0|3,0,0]=4 3198 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000210206_100000718516 [0,1,0,0,0,0|3,0,0]=4 3199 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000718516_100000210206 [0,1,0,0,0,0|3,0,0]=4 3200 B12R1.226 Cc1ccnc(c1)SCC(C)C 62a_100000210624_100000750283 [0,1,0,0,0,0|3,0,0]=4 3201 B12R1.226 Cc1ccnc(c1)SCC(C)C 62a_100000750283_100000210760 [0,1,0,0,0,0|3,0,0]=4 3202 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100000750283_100011218427 [0,1,0,0,0,0|2,0,0]=3 3203 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100011218427_100000750283 [0,1,0,0,0,0|2,0,0]=3 3204 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100000750283_100009817552 [0,1,0,0,0,0|2,0,0]=3 3205 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100000750283 [0,1,0,0,0,0|2,0,0]=3 3206 B12R1.226 Cc1ccnc(n1)NCC(C)O 27a_100000210904_100000750684 [0,1,0,0,0,0|3,0,0]=4 3207 B12R1.226 Cc1ccnc(n1)SCC(C)O 62a_100011218427_100011243806 [0,1,0,0,0,0|3,0,0]=4 3208 B12R1.226 Cc1ccnc(n1)SCC(C)O 62a_100011243806_100011218427 [0,1,0,0,0,0|3,0,0]=4 3209 B12R1.226 Cc1ccnc(n1)SC[C@@H](C)O 62a_100009817552_100011243806 [0,1,0,0,0,0|3,0,0]=4 3210 B12R1.226 Cc1ccnc(n1)SC[C@@H](C)O 62a_100011243806_100009817552 [0,1,0,0,0,0|3,0,0]=4 3211 B12R1.226 Cc1cncc(c1)C=CC(C)O 271570a_200011019289_100000760492 [0,1,0,0,0,0|1,0,2]=4 3212 B12R1.226 Cc1cncc(c1)CNC(C)C 207a_100138425928_100011998712 [0,1,0,0,0,0|3,0,0]=4 3213 B12R1.226 Cc1cncc(c1)CNC(C)C 2230a_100000692839_100000210206 [0,1,0,0,0,0|3,0,0]=4 3214 B12R1.226 Cc1cncc(c1)CNC(C)C 2230a_100138425928_100000716715 [0,1,0,0,0,0|3,0,0]=4 3215 B12R1.226 Cc1cncc(c1)CNC(C)C 34a_100000692839_100000210206 [0,1,0,0,0,0|3,0,0]=4 3216 B12R1.226 Cc1cncc(c1)CNC(C)C 34a_100138425928_100000716715 [0,1,0,0,0,0|3,0,0]=4 3217 B12R1.226 Cc1cncc(c1)COC(C)C 34a_100000212225_100000716715 [0,1,0,0,0,0|3,0,0]=4 3218 B12R1.226 Cc1cncc(c1)COC(C)C 34a_100011998709_100000210206 [0,1,0,0,0,0|3,0,0]=4 3219 B12R1.226 Cc1cncc(c1)COC(C)C 7a_100011998709_100000210206 [0,1,0,0,0,0|3,0,0]=4 3220 B12R1.226 Cc1cncc(c1)CSC(C)C 62a_100000210206_100000716715 [0,1,0,0,0,0|3,0,0]=4 3221 B12R1.226 Cc1cncc(c1)CSC(C)C 62a_100000716715_100000210206 [0,1,0,0,0,0|3,0,0]=4 3222 B12R1.226 Cc1cncc(c1)OCC(C)C 34a_100011830280_100000210624 [0,1,0,0,0,0|3,0,0]=4 3223 B12R1.226 Cc1cncc(c1)OCC(C)C 7a_100011830280_100000210760 [0,1,0,0,0,0|3,0,0]=4 3224 B12R1.226 Cc1cncc(c1)OCC(C)O 34a_100011830280_100011218427 [0,1,0,0,0,0|2,0,0]=3 3225 B12R1.226 Cc1cncc(c1)OCC(C)O 7a_100011830280_100011218427 [0,1,0,0,0,0|2,0,0]=3 3226 B12R1.226 Cc1cncc(c1)OC[C@@H](C)O 34a_100011830280_100009817552 [0,1,0,0,0,0|2,0,0]=3 3227 B12R1.226 Cc1cncc(c1)OC[C@@H](C)O 7a_100011830280_100009817552 [0,1,0,0,0,0|2,0,0]=3 3228 B12R1.226 Cc1cncc(c1)SCC(C)C 62a_100000210624_100000760492 [0,1,0,0,0,0|3,0,0]=4 3229 B12R1.226 Cc1cncc(c1)SCC(C)C 62a_100000760492_100000210760 [0,1,0,0,0,0|3,0,0]=4 3230 B12R1.226 Cc1cncc(c1)SCC(C)O 62a_100000760492_100011218427 [0,1,0,0,0,0|2,0,0]=3 3231 B12R1.226 Cc1cncc(c1)SCC(C)O 62a_100011218427_100000760492 [0,1,0,0,0,0|2,0,0]=3 3232 B12R1.226 Cc1cncc(c1)SC[C@@H](C)O 62a_100000760492_100009817552 [0,1,0,0,0,0|2,0,0]=3 3233 B12R1.226 Cc1cncc(c1)SC[C@@H](C)O 62a_100009817552_100000760492 [0,1,0,0,0,0|2,0,0]=3 3234 B12R1.226 Cc1cncc(n1)NCC(C)O 27a_100000210904_100000754123 [0,1,0,0,0,0|3,0,0]=4 3235 B12R1.226 Cc1cncc(n1)SCC(C)O 62a_100000754123_100011218427 [0,1,0,0,0,0|3,0,0]=4 3236 B12R1.226 Cc1cncc(n1)SCC(C)O 62a_100011218427_100000754123 [0,1,0,0,0,0|3,0,0]=4 3237 B12R1.226 Cc1cncc(n1)SC[C@@H](C)O 62a_100000754123_100009817552 [0,1,0,0,0,0|3,0,0]=4 3238 B12R1.226 Cc1cncc(n1)SC[C@@H](C)O 62a_100009817552_100000754123 [0,1,0,0,0,0|3,0,0]=4 3239 B12R1.226 Cc1cnnc(c1)NCC(C)O 27a_100000210904_100000070100 [0,1,0,0,0,0|3,0,0]=4 3240 B12R1.226 Cc1cnnc(c1)OCC(C)O 34a_100000766097_100011218427 [0,1,0,0,0,0|3,0,0]=4 3241 B12R1.226 Cc1cnnc(c1)OC[C@@H](C)O 34a_100000766097_100009817552 [0,1,0,0,0,0|3,0,0]=4 3242 B12R1.226 Cc1cnnc(c1)SCC(C)O 62a_100000070100_100011218427 [0,1,0,0,0,0|3,0,0]=4 3243 B12R1.226 Cc1cnnc(c1)SCC(C)O 62a_100011218427_100000070100 [0,1,0,0,0,0|3,0,0]=4 3244 B12R1.226 Cc1cnnc(c1)SC[C@@H](C)O 62a_100000070100_100009817552 [0,1,0,0,0,0|3,0,0]=4 3245 B12R1.226 Cc1cnnc(c1)SC[C@@H](C)O 62a_100009817552_100000070100 [0,1,0,0,0,0|3,0,0]=4 3246 B12R1.226 Cc1nccc(n1)NCC(C)O 27a_100000210904_100000749937 [0,1,0,0,0,0|3,0,0]=4 3247 B12R1.226 Cc1nccc(n1)SCC(C)O 62a_100000749937_100011218427 [0,1,0,0,0,0|3,0,0]=4 3248 B12R1.226 Cc1nccc(n1)SCC(C)O 62a_100011218427_100000749937 [0,1,0,0,0,0|3,0,0]=4 3249 B12R1.226 Cc1nccc(n1)SC[C@@H](C)O 62a_100000749937_100009817552 [0,1,0,0,0,0|3,0,0]=4 3250 B12R1.226 Cc1nccc(n1)SC[C@@H](C)O 62a_100009817552_100000749937 [0,1,0,0,0,0|3,0,0]=4 3251 B12R1.226 FC(F)CNc1cccc(c1)Br 34a_100000210019_100011934356 [0,1,0,0,0,0|3,0,0]=4 3252 B12R1.226 FC(F)CNc1cccc(c1)Cl 34a_100000185859_100011934356 [0,1,0,0,0,0|3,0,0]=4 3253 B12R1.226 FC(F)CNc1cccc(c1)I 34a_100000211102_100011934356 [0,1,0,0,0,0|3,0,0]=4 3254 B12R1.226 FC(F)COc1cccc(c1)Br 34a_100000210342_100011934356 [0,1,0,0,0,0|3,0,0]=4 3255 B12R1.226 FC(F)COc1cccc(c1)Br 7a_100000210342_100011934356 [0,1,0,0,0,0|3,0,0]=4 3256 B12R1.226 FC(F)COc1cccc(c1)Cl 34a_100000210295_100011934356 [0,1,0,0,0,0|3,0,0]=4 3257 B12R1.226 FC(F)COc1cccc(c1)Cl 7a_100000210295_100011934356 [0,1,0,0,0,0|3,0,0]=4 3258 B12R1.226 FC(F)COc1cccc(c1)I 34a_100000211634_100011934356 [0,1,0,0,0,0|3,0,0]=4 3259 B12R1.226 FC(F)COc1cccc(c1)I 7a_100000211634_100011934356 [0,1,0,0,0,0|3,0,0]=4 3260 B12R1.226 FC(F)CSc1cccc(c1)Br 62a_100000691529_100011934356 [0,1,0,0,0,0|3,0,0]=4 3261 B12R1.226 FC(F)CSc1cccc(c1)Br 62a_100011934356_100000691529 [0,1,0,0,0,0|3,0,0]=4 3262 B12R1.226 FC(F)CSc1cccc(c1)Cl 62a_100000699651_100011934356 [0,1,0,0,0,0|3,0,0]=4 3263 B12R1.226 FC(F)CSc1cccc(c1)Cl 62a_100011934356_100000699651 [0,1,0,0,0,0|3,0,0]=4 3264 B12R1.226 FC(F)CSc1cccc(c1)[S] 62a_100011934356_114929384022 [0,1,0,0,0,0|3,0,0]=4 3265 B12R1.226 FC(F)CSc1cccc(c1)[S] 62a_114929384022_100011934356 [0,1,0,0,0,0|3,0,0]=4 3266 B12R1.226 Fc1cccc(c1)NCC(F)F 34a_100000210047_100011934356 [0,1,0,0,0,0|3,0,0]=4 3267 B12R1.226 Fc1cccc(c1)OCC(F)F 34a_100000210426_100011934356 [0,1,0,0,0,0|3,0,0]=4 3268 B12R1.226 Fc1cccc(c1)OCC(F)F 7a_100000210426_100011934356 [0,1,0,0,0,0|3,0,0]=4 3269 B12R1.226 Fc1cccc(c1)SCC(F)F 62a_100000685547_100011934356 [0,1,0,0,0,0|3,0,0]=4 3270 B12R1.226 Fc1cccc(c1)SCC(F)F 62a_100011934356_100000685547 [0,1,0,0,0,0|3,0,0]=4 3271 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,0,0|1,0,2]=4 3272 B12R1.226 Nc1cccc(c1)OCC(F)F 34a_100000210217_100011934356 [0,1,0,0,0,0|3,0,0]=4 3273 B12R1.226 Nc1cccc(c1)SCC(F)F 62a_100000210019_100011934356 [0,1,0,0,0,0|3,0,0]=4 3274 B12R1.226 Nc1cccc(c1)SCC(F)F 62a_100011934356_100000210019 [0,1,0,0,0,0|3,0,0]=4 3275 B12R1.226 Oc1cccc(c1)NCC(F)F 34a_100000210217_100011934356 [0,1,0,0,0,0|3,0,0]=4 3276 B12R1.226 Oc1cccc(c1)OCC(F)F 271570a_203496583355_100000763112 [0,1,0,0,0,0|3,0,0]=4 3277 B12R1.226 Oc1cccc(c1)SCC(F)F 62a_100011934356_100000211634 [0,1,0,0,0,0|3,0,0]=4 3278 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,0|0,0,2]=3 3279 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,0|0,0,2]=3 3280 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,0|0,0,2]=3 3281 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,0|0,0,2]=3 3282 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,0|0,0,2]=3 3283 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,0,0|1,0,2]=4 3284 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,0,0|1,0,2]=4 3285 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,0,0|1,0,2]=4 3286 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,0,0|1,0,2]=4 3287 B12R1.891 CC(C)(C)C=Cc1ccccc1 271570a_100102527731_100000210277 [0,1,0,0,0,0|1,0,2]=4 3288 B12R1.891 CC(C)(C)CNc1ccccc1 34a_100000106764_100011219605 [0,1,0,0,0,0|2,0,0]=3 3289 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [0,1,0,0,0,0|2,0,0]=3 3290 B12R1.891 CC(C)(C)COc1cccnc1 34a_100000210849_100011219605 [0,1,0,0,0,0|3,0,0]=4 3291 B12R1.891 CC(C)(C)COc1ccncc1 34a_100000212176_100011219605 [0,1,0,0,0,0|3,0,0]=4 3292 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100000719477_100011219605 [0,1,0,0,0,0|2,0,0]=3 3293 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100011219605_100000041952 [0,1,0,0,0,0|2,0,0]=3 3294 B12R1.891 CC(C)(C)CSc1ccccn1 62a_100011216584_100011219605 [0,1,0,0,0,0|3,0,0]=4 3295 B12R1.891 CC(C)(C)CSc1ccccn1 62a_100011219605_100011216584 [0,1,0,0,0,0|3,0,0]=4 3296 B12R1.891 CC(C)(C)CSc1cccnc1 62a_100000210063_100011219605 [0,1,0,0,0,0|3,0,0]=4 3297 B12R1.891 CC(C)(C)CSc1cccnc1 62a_100011219605_100000210063 [0,1,0,0,0,0|3,0,0]=4 3298 B12R1.891 CC(C)(C)CSc1ccncc1 62a_100000728582_100011219605 [0,1,0,0,0,0|3,0,0]=4 3299 B12R1.891 CC(C)(C)CSc1ccncc1 62a_100011219605_100000728582 [0,1,0,0,0,0|3,0,0]=4 3300 B12R1.891 CC(C)(C)NCc1ccccc1 207a_100000715429_100015611070 [0,1,0,0,0,0|2,0,0]=3 3301 B12R1.891 CC(C)(C)NCc1ccccc1 2230a_100000715429_100015291786 [0,1,0,0,0,0|2,0,0]=3 3302 B12R1.891 CC(C)(C)NCc1ccccc1 34a_100015324214_100000210625 [0,1,0,0,0,0|2,0,0]=3 3303 B12R1.891 CC(C)(C)NCc1ccccn1 207a_100000715429_100000209966 [0,1,0,0,0,0|3,0,0]=4 3304 B12R1.891 CC(C)(C)NCc1ccccn1 2230a_100000715429_100000721315 [0,1,0,0,0,0|3,0,0]=4 3305 B12R1.891 CC(C)(C)NCc1cccnc1 207a_100000715429_100000209961 [0,1,0,0,0,0|3,0,0]=4 3306 B12R1.891 CC(C)(C)NCc1cccnc1 2230a_100000715429_100000741622 [0,1,0,0,0,0|3,0,0]=4 3307 B12R1.891 CC(C)(C)NCc1ccncc1 207a_100000715429_100000186114 [0,1,0,0,0,0|3,0,0]=4 3308 B12R1.891 CC(C)(C)NCc1ccncc1 2230a_100000715429_100015193705 [0,1,0,0,0,0|3,0,0]=4 3309 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100000210790_100000210625 [0,1,0,0,0,0|2,0,0]=3 3310 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100015890283_100015291786 [0,1,0,0,0,0|2,0,0]=3 3311 B12R1.891 CC(C)(C)OCc1ccccc1 7a_100015890283_100000211182 [0,1,0,0,0,0|2,0,0]=3 3312 B12R1.891 CC(C)(C)OCc1ccccn1 34a_100015890283_100000721315 [0,1,0,0,0,0|3,0,0]=4 3313 B12R1.891 CC(C)(C)OCc1ccccn1 7a_100015890283_100000721315 [0,1,0,0,0,0|3,0,0]=4 3314 B12R1.891 CC(C)(C)OCc1cccnc1 34a_100015890283_100000733263 [0,1,0,0,0,0|3,0,0]=4 3315 B12R1.891 CC(C)(C)OCc1cccnc1 7a_100015890283_100000741622 [0,1,0,0,0,0|3,0,0]=4 3316 B12R1.891 CC(C)(C)OCc1ccncc1 7a_100015890283_100015193705 [0,1,0,0,0,0|3,0,0]=4 3317 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211182_100000211941 [0,1,0,0,0,0|2,0,0]=3 3318 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211941_100015291786 [0,1,0,0,0,0|2,0,0]=3 3319 B12R1.891 CC(C)(C)SCc1ccccn1 62a_100000211941_100000721315 [0,1,0,0,0,0|3,0,0]=4 3320 B12R1.891 CC(C)(C)SCc1ccccn1 62a_100000721315_100000211941 [0,1,0,0,0,0|3,0,0]=4 3321 B12R1.891 CC(C)(C)SCc1cccnc1 62a_100000211941_100000741622 [0,1,0,0,0,0|3,0,0]=4 3322 B12R1.891 CC(C)(C)SCc1cccnc1 62a_100000741622_100000211941 [0,1,0,0,0,0|3,0,0]=4 3323 B12R1.891 CC(C)(C)SCc1ccncc1 62a_100000211941_100015193705 [0,1,0,0,0,0|3,0,0]=4 3324 B12R1.891 CC(C)(C)SCc1ccncc1 62a_100015193705_100000211941 [0,1,0,0,0,0|3,0,0]=4 3325 B12R1.891 CC(C)(F)CNc1ccccc1 34a_100000106764_100011997219 [0,1,0,0,0,0|2,0,0]=3 3326 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [0,1,0,0,0,0|2,0,0]=3 3327 B12R1.891 CC(C)(F)COc1cccnc1 34a_100000210849_100011997219 [0,1,0,0,0,0|3,0,0]=4 3328 B12R1.891 CC(C)(F)COc1ccncc1 34a_100000212176_100011997219 [0,1,0,0,0,0|3,0,0]=4 3329 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100000719477_100011997219 [0,1,0,0,0,0|2,0,0]=3 3330 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100011997219_100000041952 [0,1,0,0,0,0|2,0,0]=3 3331 B12R1.891 CC(C)(F)CSc1ccccn1 62a_100011216584_100011997219 [0,1,0,0,0,0|3,0,0]=4 3332 B12R1.891 CC(C)(F)CSc1ccccn1 62a_100011997219_100011216584 [0,1,0,0,0,0|3,0,0]=4 3333 B12R1.891 CC(C)(F)CSc1cccnc1 62a_100000210063_100011997219 [0,1,0,0,0,0|3,0,0]=4 3334 B12R1.891 CC(C)(F)CSc1cccnc1 62a_100011997219_100000210063 [0,1,0,0,0,0|3,0,0]=4 3335 B12R1.891 CC(C)(F)CSc1ccncc1 62a_100000728582_100011997219 [0,1,0,0,0,0|3,0,0]=4 3336 B12R1.891 CC(C)(F)CSc1ccncc1 62a_100011997219_100000728582 [0,1,0,0,0,0|3,0,0]=4 3337 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [0,1,0,0,0,0|0,0,2]=3 3338 B12R1.891 CC(C)(O)C=Cc1ccccn1 271570a_200016258132_100011216584 [0,1,0,0,0,0|1,0,2]=4 3339 B12R1.891 CC(C)(O)C=Cc1cccnc1 271570a_200016258132_100000752921 [0,1,0,0,0,0|1,0,2]=4 3340 B12R1.891 CC(C)(O)C=Cc1ccncc1 271570a_200016258132_100000035832 [0,1,0,0,0,0|1,0,2]=4 3341 B12R1.891 CC(C)(O)CNc1ccccc1 34a_100000106764_100000764493 [0,1,0,0,0,0|1,0,0]=2 3342 B12R1.891 CC(C)(O)CNc1cccnn1 27a_100000751335_100016991348 [0,1,0,0,0,0|3,0,0]=4 3343 B12R1.891 CC(C)(O)CNc1ccncn1 27a_100000751335_100000703185 [0,1,0,0,0,0|3,0,0]=4 3344 B12R1.891 CC(C)(O)CNc1cnccn1 27a_100000751335_100000211759 [0,1,0,0,0,0|3,0,0]=4 3345 B12R1.891 CC(C)(O)CNc1ncccn1 27a_100000751335_100000211032 [0,1,0,0,0,0|3,0,0]=4 3346 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,1,0,0,0,0|1,0,0]=2 3347 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,1,0,0,0,0|1,0,0]=2 3348 B12R1.891 CC(C)(O)COc1cccnc1 34a_100000210849_100000764493 [0,1,0,0,0,0|2,0,0]=3 3349 B12R1.891 CC(C)(O)COc1cccnc1 7a_100000210849_100000764493 [0,1,0,0,0,0|2,0,0]=3 3350 B12R1.891 CC(C)(O)COc1ccncc1 34a_100000212176_100000764493 [0,1,0,0,0,0|2,0,0]=3 3351 B12R1.891 CC(C)(O)COc1ccnnc1 34a_100015204005_100000764493 [0,1,0,0,0,0|3,0,0]=4 3352 B12R1.891 CC(C)(O)COc1cncnc1 7a_100000754086_100000764493 [0,1,0,0,0,0|3,0,0]=4 3353 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000719477_100000764493 [0,1,0,0,0,0|1,0,0]=2 3354 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000764493_100000041952 [0,1,0,0,0,0|1,0,0]=2 3355 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100000764493_100011216584 [0,1,0,0,0,0|2,0,0]=3 3356 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100011216584_100000764493 [0,1,0,0,0,0|2,0,0]=3 3357 B12R1.891 CC(C)(O)CSc1cccnc1 62a_100000210063_100000764493 [0,1,0,0,0,0|2,0,0]=3 3358 B12R1.891 CC(C)(O)CSc1cccnc1 62a_100000764493_100000210063 [0,1,0,0,0,0|2,0,0]=3 3359 B12R1.891 CC(C)(O)CSc1cccnn1 62a_100000764493_100016991348 [0,1,0,0,0,0|3,0,0]=4 3360 B12R1.891 CC(C)(O)CSc1cccnn1 62a_100016991348_100000764493 [0,1,0,0,0,0|3,0,0]=4 3361 B12R1.891 CC(C)(O)CSc1ccncc1 62a_100000728582_100000764493 [0,1,0,0,0,0|2,0,0]=3 3362 B12R1.891 CC(C)(O)CSc1ccncc1 62a_100000764493_100000728582 [0,1,0,0,0,0|2,0,0]=3 3363 B12R1.891 CC(C)(O)CSc1ccncn1 62a_100000703185_100000764493 [0,1,0,0,0,0|3,0,0]=4 3364 B12R1.891 CC(C)(O)CSc1ccncn1 62a_100000764493_100000703185 [0,1,0,0,0,0|3,0,0]=4 3365 B12R1.891 CC(C)(O)CSc1ccnnc1 62a_100000732662_100000764493 [0,1,0,0,0,0|3,0,0]=4 3366 B12R1.891 CC(C)(O)CSc1ccnnc1 62a_100000764493_100000732662 [0,1,0,0,0,0|3,0,0]=4 3367 B12R1.891 CC(C)(O)CSc1cnccn1 62a_100000211759_100000764493 [0,1,0,0,0,0|3,0,0]=4 3368 B12R1.891 CC(C)(O)CSc1cnccn1 62a_100000764493_100000211759 [0,1,0,0,0,0|3,0,0]=4 3369 B12R1.891 CC(C)(O)CSc1cncnc1 62a_100000764493_100011206942 [0,1,0,0,0,0|3,0,0]=4 3370 B12R1.891 CC(C)(O)CSc1cncnc1 62a_100011206942_100000764493 [0,1,0,0,0,0|3,0,0]=4 3371 B12R1.891 CC(C)(O)CSc1ncccn1 62a_100000211032_100000764493 [0,1,0,0,0,0|3,0,0]=4 3372 B12R1.891 CC(C)(O)CSc1ncccn1 62a_100000764493_100000211032 [0,1,0,0,0,0|3,0,0]=4 3373 B12R1.891 CS(=O)(=O)NCc1ccccc1 40a_100015324214_100000738038 [0,1,0,0,0,0|2,0,1]=4 3374 B12R1.891 C[N+](C)(C)CSc1ccccc1 62a_100000719477_200000036245 [0,1,0,0,0,0|3,0,0]=4 3375 B12R1.891 C[N+](C)(C)CSc1ccccc1 62a_200000036245_100000041952 [0,1,0,0,0,0|3,0,0]=4 3376 B12R1.891 C[Si](C)(C)COc1ccccc1 7a_100000210340_100000233785 [0,1,0,0,0,0|2,1,0]=4 3377 B12R1.891 C[Si](C)(C)CSc1ccccc1 62a_100000037933_100000041952 [0,1,0,0,0,0|2,1,0]=4 3378 B12R1.891 C[Si](C)(C)CSc1ccccc1 62a_100000719477_100000037933 [0,1,0,0,0,0|2,1,0]=4 3379 B12R1.891 FC(F)(F)CSc1ccccc1 62a_100000719477_100000763148 [0,1,0,0,0,0|3,0,0]=4 3380 B12R1.891 FC(F)(F)CSc1ccccc1 62a_100000763148_100000041952 [0,1,0,0,0,0|3,0,0]=4 3381 B12R1.891 FC(F)(F)NCc1ccccc1 34a_100015324214_200103152311 [0,1,0,0,0,0|3,0,0]=4 3382 B12R1.891 FC(F)(F)OCc1ccccc1 34a_100000210790_200103152311 [0,1,0,0,0,0|3,0,0]=4 3383 B12R1.891 FC(F)(F)OCc1ccccc1 7a_100000210790_200000243211 [0,1,0,0,0,0|3,0,0]=4 3384 B12R1.891 FC(F)(F)SCc1ccccc1 62a_100000211182_200103152311 [0,1,0,0,0,0|3,0,0]=4 3385 B12R1.891 FC(F)(F)SCc1ccccc1 62a_200000243211_100015291786 [0,1,0,0,0,0|3,0,0]=4 3386 B10R0.4 C/C=C/C=C/COCC(C)O 34a_100016283227_100011218427 [0,0,1,0,0,0|1,0,2]=4 3387 B10R0.4 C/C=C/C=C/COC[C@@H](C)O 34a_100016283227_100009817552 [0,0,1,0,0,0|1,0,2]=4 3388 B10R0.27 C=CCC(C=C)OCC(C)O 34a_100000038011_100011218427 [0,0,1,0,0,0|1,0,2]=4 3389 B10R0.27 C=CCC(C=C)OCC(C)O 7a_100000038011_100011218427 [0,0,1,0,0,0|1,0,2]=4 3390 B10R0.27 C=CCC(C=C)OC[C@@H](C)O 34a_100000038011_100009817552 [0,0,1,0,0,0|1,0,2]=4 3391 B10R0.27 C=CCC(C=C)OC[C@@H](C)O 7a_100000038011_100009817552 [0,0,1,0,0,0|1,0,2]=4 3392 B10R0.78 C=CC=CC(=O)CCC(=C)C 1458a_100016291481_100000730704 [0,0,1,0,0,0|2,0,1]=4 3393 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [0,0,1,0,0,0|2,0,0]=3 3394 B10R0.78 C=CC=CC(=O)CCC(C)O 1458a_100016291481_100012276601 [0,0,1,0,0,0|1,0,0]=2 3395 B10R0.78 C=CC=CC(=O)NCC(C)C 1626a_100000210953_100016291481 [0,0,1,0,0,0|3,0,0]=4 3396 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,0,1,0,0,0|1,0,2]=4 3397 B10R0.78 C=CCNC(=O)CCC(C)O 1626a_100020586998_100000718519 [0,0,1,0,0,0|2,0,1]=4 3398 B10R0.78 CC=CCC(=O)CCC(C)O 1458a_100121576822_100012276601 [0,0,1,0,0,0|1,0,2]=4 3399 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,0,1,0,0,0|1,0,2]=4 3400 B10R0.78 COC=CC(=O)CCC(C)O 1458a_100016268678_100012276601 [0,0,1,0,0,0|2,0,1]=4 3401 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 3402 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 3403 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,0|2,0,0]=3 3404 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 3405 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 3406 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,0|2,0,0]=3 3407 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [0,0,0,1,0,0|3,0,0]=4 3408 B12R2.22 CN1CC(C1)c2ccncc2 269982a_100015185986_200000210301 [0,0,0,1,0,0|3,0,0]=4 3409 B12R2.22 OC1CN(C1)c2cccnn2 27a_100000749847_100016991348 [0,0,0,1,0,0|3,0,0]=4 3410 B12R2.22 OC1CN(C1)c2ccncn2 27a_100000749847_100000703185 [0,0,0,1,0,0|3,0,0]=4 3411 B12R2.22 OC1CN(C1)c2cnccn2 27a_100000749847_100000211759 [0,0,0,1,0,0|3,0,0]=4 3412 B12R2.22 OC1CN(C1)c2ncccn2 27a_100000749847_100000211032 [0,0,0,1,0,0|3,0,0]=4 3413 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [0,0,0,1,0,0|3,0,0]=4 3414 B12R2.22 [13CH3]N1CC(C1)c2ccncc2 269982a_100015185986_200025704644 [0,0,0,1,0,0|3,0,0]=4 3415 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,0|2,0,0]=3 3416 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,0|2,0,0]=3 3417 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,0|2,0,0]=3 3418 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,0,0,1,0,0|3,0,0]=4 3419 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,0,0,1,0,0|3,0,0]=4 3420 B12R2.24 CN1CCc2ccncc2C1 2230a_100015190008_200000210301 [0,0,0,1,0,0|3,0,0]=4 3421 B12R2.24 CN1CCc2ccncc2C1 269982a_100015190008_200000210301 [0,0,0,1,0,0|3,0,0]=4 3422 B12R2.24 CN1CCc2cnccc2C1 2230a_100020645890_200000210301 [0,0,0,1,0,0|3,0,0]=4 3423 B12R2.24 CN1CCc2cnccc2C1 269982a_100020645890_200000210301 [0,0,0,1,0,0|3,0,0]=4 3424 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,0,0,1,0,0|3,0,0]=4 3425 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,0,0,1,0,0|3,0,0]=4 3426 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,0|2,0,0]=3 3427 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,0|2,0,0]=3 3428 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,0|2,0,0]=3 3429 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,0,0,1,0,0|3,0,0]=4 3430 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,0,0,1,0,0|3,0,0]=4 3431 B12R2.24 [13CH3]N1CCc2ccncc2C1 2230a_100015190008_200025704644 [0,0,0,1,0,0|3,0,0]=4 3432 B12R2.24 [13CH3]N1CCc2ccncc2C1 269982a_100015190008_200025704644 [0,0,0,1,0,0|3,0,0]=4 3433 B12R2.24 [13CH3]N1CCc2cnccc2C1 2230a_100020645890_200025704644 [0,0,0,1,0,0|3,0,0]=4 3434 B12R2.24 [13CH3]N1CCc2cnccc2C1 269982a_100020645890_200025704644 [0,0,0,1,0,0|3,0,0]=4 3435 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,0,0,1,0,0|3,0,0]=4 3436 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,0,0,1,0,0|3,0,0]=4 3437 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [0,0,0,1,0,0|1,0,2]=4 3438 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,0,0,1,0,0|1,0,2]=4 3439 B12R2.2057 c1cc(ccn1)CSC2CC2 62a_100015193705_100000211595 [0,0,0,1,0,0|3,0,0]=4 3440 B12R2.2057 c1cc(ccn1)OCC2CC2 34a_100000212176_100000742324 [0,0,0,1,0,0|3,0,0]=4 3441 B12R2.2057 c1cc(ccn1)OCC2CO2 34a_100000212176_102125554688 [0,0,0,1,0,0|2,0,0]=3 3442 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000728582_100000742324 [0,0,0,1,0,0|3,0,0]=4 3443 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000756562_100000728582 [0,0,0,1,0,0|3,0,0]=4 3444 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_100000728582_102125554688 [0,0,0,1,0,0|2,0,0]=3 3445 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_102125554688_100000728582 [0,0,0,1,0,0|2,0,0]=3 3446 B12R2.2057 c1cc(ccn1)SCC2CS2 62a_100000031435_100000728582 [0,0,0,1,0,0|2,1,0]=4 3447 B12R2.2057 c1cc(ccn1)SCC2CS2 62a_100000728582_100000031435 [0,0,0,1,0,0|2,1,0]=4 3448 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000728582_100000745022 [0,0,0,1,0,0|2,0,0]=3 3449 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100000728582 [0,0,0,1,0,0|2,0,0]=3 3450 B12R2.2057 c1cc(cnn1)OCC2CO2 34a_100015204005_102125554688 [0,0,0,1,0,0|3,0,0]=4 3451 B12R2.2057 c1cc(cnn1)SCC2CO2 62a_100000732662_102125554688 [0,0,0,1,0,0|3,0,0]=4 3452 B12R2.2057 c1cc(cnn1)SCC2CO2 62a_102125554688_100000732662 [0,0,0,1,0,0|3,0,0]=4 3453 B12R2.2057 c1cc(cnn1)SC[C@@H]2CO2 62a_100000732662_100000745022 [0,0,0,1,0,0|3,0,0]=4 3454 B12R2.2057 c1cc(cnn1)SC[C@@H]2CO2 62a_100000745022_100000732662 [0,0,0,1,0,0|3,0,0]=4 3455 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_100000703185_102125554688 [0,0,0,1,0,0|3,0,0]=4 3456 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_102125554688_100000703185 [0,0,0,1,0,0|3,0,0]=4 3457 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000703185_100000745022 [0,0,0,1,0,0|3,0,0]=4 3458 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000745022_100000703185 [0,0,0,1,0,0|3,0,0]=4 3459 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,0,0,1,0,0|2,0,0]=3 3460 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,0,0,1,0,0|2,0,0]=3 3461 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,0,1,0,0|2,0,0]=3 3462 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,0,0,1,0,0|2,0,0]=3 3463 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,0,0,1,0,0|2,0,0]=3 3464 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,0,0,1,0,0|1,0,0]=2 3465 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,0,0,1,0,0|2,0,0]=3 3466 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,0,0,1,0,0|2,0,0]=3 3467 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,0,0,1,0,0|1,0,0]=2 3468 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,0,0,1,0,0|1,0,0]=2 3469 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,0,0,1,0,0|1,1,0]=3 3470 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,0,0,1,0,0|1,0,0]=2 3471 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,0,0,1,0,0|2,0,0]=3 3472 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,0,0,1,0,0|2,0,0]=3 3473 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,0,0,1,0,0|1,0,0]=2 3474 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,0,0,1,0,0|1,0,0]=2 3475 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [0,0,0,1,0,0|1,1,0]=3 3476 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [0,0,0,1,0,0|1,1,0]=3 3477 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,0,0,1,0,0|1,0,0]=2 3478 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,0,0,1,0,0|1,0,0]=2 3479 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,0,0,1,0,0|3,0,0]=4 3480 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,0,0,1,0,0|3,0,0]=4 3481 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [0,0,0,1,0,0|3,0,0]=4 3482 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [0,0,0,1,0,0|3,0,0]=4 3483 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [0,0,0,1,0,0|2,0,0]=3 3484 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [0,0,0,1,0,0|2,0,0]=3 3485 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100000031435_100011216584 [0,0,0,1,0,0|2,1,0]=4 3486 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100011216584_100000031435 [0,0,0,1,0,0|2,1,0]=4 3487 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [0,0,0,1,0,0|2,0,0]=3 3488 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [0,0,0,1,0,0|2,0,0]=3 3489 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_100000211759_102125554688 [0,0,0,1,0,0|3,0,0]=4 3490 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_102125554688_100000211759 [0,0,0,1,0,0|3,0,0]=4 3491 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000211759_100000745022 [0,0,0,1,0,0|3,0,0]=4 3492 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000745022_100000211759 [0,0,0,1,0,0|3,0,0]=4 3493 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_100000211032_102125554688 [0,0,0,1,0,0|3,0,0]=4 3494 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_102125554688_100000211032 [0,0,0,1,0,0|3,0,0]=4 3495 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000211032_100000745022 [0,0,0,1,0,0|3,0,0]=4 3496 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000745022_100000211032 [0,0,0,1,0,0|3,0,0]=4 3497 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [0,0,0,1,0,0|3,0,0]=4 3498 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [0,0,0,1,0,0|3,0,0]=4 3499 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [0,0,0,1,0,0|3,0,0]=4 3500 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [0,0,0,1,0,0|3,0,0]=4 3501 B12R2.2057 c1cncc(c1)OCC2CO2 34a_100000210849_102125554688 [0,0,0,1,0,0|2,0,0]=3 3502 B12R2.2057 c1cncc(c1)OCC2CO2 7a_100000210849_102125554688 [0,0,0,1,0,0|2,0,0]=3 3503 B12R2.2057 c1cncc(c1)OCC2CS2 7a_100000210849_100000031435 [0,0,0,1,0,0|2,1,0]=4 3504 B12R2.2057 c1cncc(c1)OC[C@@H]2CO2 7a_100000210849_100000745022 [0,0,0,1,0,0|2,0,0]=3 3505 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000210063_100000742324 [0,0,0,1,0,0|3,0,0]=4 3506 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000756562_100000210063 [0,0,0,1,0,0|3,0,0]=4 3507 B12R2.2057 c1cncc(c1)SCC2CO2 62a_100000210063_102125554688 [0,0,0,1,0,0|2,0,0]=3 3508 B12R2.2057 c1cncc(c1)SCC2CO2 62a_102125554688_100000210063 [0,0,0,1,0,0|2,0,0]=3 3509 B12R2.2057 c1cncc(c1)SCC2CS2 62a_100000031435_100000210063 [0,0,0,1,0,0|2,1,0]=4 3510 B12R2.2057 c1cncc(c1)SCC2CS2 62a_100000210063_100000031435 [0,0,0,1,0,0|2,1,0]=4 3511 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000210063_100000745022 [0,0,0,1,0,0|2,0,0]=3 3512 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000210063 [0,0,0,1,0,0|2,0,0]=3 3513 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_100016991348_102125554688 [0,0,0,1,0,0|3,0,0]=4 3514 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_102125554688_100016991348 [0,0,0,1,0,0|3,0,0]=4 3515 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100000745022_100016991348 [0,0,0,1,0,0|3,0,0]=4 3516 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100016991348_100000745022 [0,0,0,1,0,0|3,0,0]=4 3517 B12R2.2057 c1ncc(cn1)OCC2CO2 7a_100000754086_102125554688 [0,0,0,1,0,0|3,0,0]=4 3518 B12R2.2057 c1ncc(cn1)OC[C@@H]2CO2 7a_100000754086_100000745022 [0,0,0,1,0,0|3,0,0]=4 3519 B12R2.2057 c1ncc(cn1)SCC2CO2 62a_100011206942_102125554688 [0,0,0,1,0,0|3,0,0]=4 3520 B12R2.2057 c1ncc(cn1)SCC2CO2 62a_102125554688_100011206942 [0,0,0,1,0,0|3,0,0]=4 3521 B12R2.2057 c1ncc(cn1)SC[C@@H]2CO2 62a_100000745022_100011206942 [0,0,0,1,0,0|3,0,0]=4 3522 B12R2.2057 c1ncc(cn1)SC[C@@H]2CO2 62a_100011206942_100000745022 [0,0,0,1,0,0|3,0,0]=4 3523 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,0|0,0,2]=3 3524 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,0,0,1,0,0|2,0,0]=3 3525 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,0|0,0,2]=3 3526 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,1,0|1,0,2]=4 3527 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,1,0|1,0,2]=4 3528 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,1,0|0,0,2]=3 3529 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,1,0|1,0,2]=4 3530 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,1,0|1,0,2]=4 3531 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,1,0|1,0,2]=4 3532 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,1,0|1,0,2]=4 3533 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,1,0|1,0,2]=4 3534 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,1,0|1,0,2]=4 3535 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,1,0|1,0,2]=4 3536 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,1,0|1,0,2]=4 3537 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,1,0|1,0,2]=4 3538 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,0,0,1,0|2,0,0]=3 3539 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,1,0|2,0,0]=3 3540 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,1,0|2,0,0]=3 3541 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [0,0,0,0,1,0|3,0,0]=4 3542 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [0,0,0,0,1,0|3,0,0]=4 3543 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [0,0,0,0,1,0|3,0,0]=4 3544 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,0,0,1,0|2,0,0]=3 3545 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,0,0,1,0|2,0,0]=3 3546 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,0,0,1,0|3,0,0]=4 3547 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,0,0,1,0|3,0,0]=4 3548 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [0,0,0,0,1,0|3,0,0]=4 3549 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [0,0,0,0,1,0|3,0,0]=4 3550 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [0,0,0,0,1,0|3,0,0]=4 3551 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [0,0,0,0,1,0|3,0,0]=4 3552 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,1,0|2,0,0]=3 3553 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,1,0|2,0,0]=3 3554 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,1,0|2,0,0]=3 3555 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,1,0|2,0,0]=3 3556 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,1,0|2,0,0]=3 3557 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,1,0|3,0,0]=4 3558 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,1,0|3,0,0]=4 3559 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,1,0|3,0,0]=4 3560 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,1,0|3,0,0]=4 3561 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,1,0|3,0,0]=4 3562 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [0,0,0,0,1,0|3,0,0]=4 3563 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [0,0,0,0,1,0|3,0,0]=4 3564 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [0,0,0,0,1,0|3,0,0]=4 3565 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [0,0,0,0,1,0|3,0,0]=4 3566 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [0,0,0,0,1,0|3,0,0]=4 3567 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [0,0,0,0,1,0|3,0,0]=4 3568 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [0,0,0,0,1,0|3,0,0]=4 3569 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [0,0,0,0,1,0|3,0,0]=4 3570 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [0,0,0,0,1,0|3,0,0]=4 3571 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,1,0|2,0,0]=3 3572 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,1,0|2,0,0]=3 3573 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,1,0|3,0,0]=4 3574 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,1,0|3,0,0]=4 3575 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [0,0,0,0,1,0|3,0,0]=4 3576 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [0,0,0,0,1,0|3,0,0]=4 3577 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [0,0,0,0,1,0|3,0,0]=4 3578 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [0,0,0,0,1,0|3,0,0]=4 3579 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,1,0|1,0,2]=4 3580 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,1,0|1,0,2]=4 3581 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,1,0|1,0,2]=4 3582 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,1,0|1,0,2]=4 3583 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,1,0|1,0,2]=4 3584 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,1,0|1,0,2]=4 3585 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,1,0|1,0,2]=4 3586 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,1,0|1,0,2]=4 3587 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,1,0|1,0,2]=4 3588 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,1,0|1,0,2]=4 3589 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,1,0|1,0,2]=4 3590 B10R1.66 CC(C)COc1ccsc1 34a_100000106738_100000210624 [0,0,0,0,1,0|3,0,0]=4 3591 B10R1.66 CC(C)COc1ccsc1 7a_100000106738_100000210760 [0,0,0,0,1,0|3,0,0]=4 3592 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,0,0,1,0|3,0,0]=4 3593 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,0,0,1,0|3,0,0]=4 3594 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,0,0,0,1,0|3,0,0]=4 3595 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,0,0,0,1,0|3,0,0]=4 3596 B10R1.66 CC(C)CSc1ccoc1 62a_100000210624_100011215275 [0,0,0,0,1,0|3,0,0]=4 3597 B10R1.66 CC(C)CSc1ccoc1 62a_100011215275_100000210760 [0,0,0,0,1,0|3,0,0]=4 3598 B10R1.66 CC(C)CSc1ccsc1 62a_100000210624_100000738268 [0,0,0,0,1,0|3,0,0]=4 3599 B10R1.66 CC(C)CSc1ccsc1 62a_100000738268_100000210760 [0,0,0,0,1,0|3,0,0]=4 3600 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,0,0,0,1,0|3,0,0]=4 3601 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,0,0,0,1,0|3,0,0]=4 3602 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,0,0,0,1,0|3,0,0]=4 3603 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,0,0,0,1,0|3,0,0]=4 3604 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,0,0,0,1,0|3,0,0]=4 3605 B10R1.66 CC(C)NCc1ccoc1 207a_100138425928_100011215517 [0,0,0,0,1,0|3,0,0]=4 3606 B10R1.66 CC(C)NCc1ccoc1 2230a_100015206860_100000210206 [0,0,0,0,1,0|3,0,0]=4 3607 B10R1.66 CC(C)NCc1ccoc1 34a_100015206860_100000210206 [0,0,0,0,1,0|3,0,0]=4 3608 B10R1.66 CC(C)NCc1ccsc1 207a_100138425928_100000188534 [0,0,0,0,1,0|3,0,0]=4 3609 B10R1.66 CC(C)NCc1ccsc1 2230a_100000186416_100000210206 [0,0,0,0,1,0|3,0,0]=4 3610 B10R1.66 CC(C)NCc1ccsc1 2230a_100138425928_100011261437 [0,0,0,0,1,0|3,0,0]=4 3611 B10R1.66 CC(C)NCc1ccsc1 34a_100000186416_100000210206 [0,0,0,0,1,0|3,0,0]=4 3612 B10R1.66 CC(C)NCc1ccsc1 34a_100138425928_100011261437 [0,0,0,0,1,0|3,0,0]=4 3613 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,0,0,1,0|3,0,0]=4 3614 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,0,0,0,1,0|3,0,0]=4 3615 B10R1.66 CC(C)OCc1ccoc1 34a_100011215357_100000210206 [0,0,0,0,1,0|3,0,0]=4 3616 B10R1.66 CC(C)OCc1ccsc1 34a_100000212225_100011261437 [0,0,0,0,1,0|3,0,0]=4 3617 B10R1.66 CC(C)OCc1ccsc1 34a_100011215551_100000210206 [0,0,0,0,1,0|3,0,0]=4 3618 B10R1.66 CC(C)SCc1ccsc1 62a_100000210206_100011233845 [0,0,0,0,1,0|3,0,0]=4 3619 B10R1.66 CC(C)SCc1ccsc1 62a_100011261437_100000210206 [0,0,0,0,1,0|3,0,0]=4 3620 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,0,0,1,0|1,0,2]=4 3621 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,0,0,0,1,0|1,0,2]=4 3622 B10R1.66 CC(O)C=Cc1ccoc1 271570a_200011019289_100011215275 [0,0,0,0,1,0|1,0,2]=4 3623 B10R1.66 CC(O)C=Cc1ccsc1 271570a_200011019289_100000738268 [0,0,0,0,1,0|1,0,2]=4 3624 B10R1.66 CC(O)CCN1CC=CC1 269982a_100015195280_100012276601 [0,0,0,0,1,0|1,0,2]=4 3625 B10R1.66 CC(O)COc1ccsc1 34a_100000106738_100011218427 [0,0,0,0,1,0|2,0,0]=3 3626 B10R1.66 CC(O)COc1ccsc1 7a_100000106738_100011218427 [0,0,0,0,1,0|2,0,0]=3 3627 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100000756875_100011218427 [0,0,0,0,1,0|3,0,0]=4 3628 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100011218427_100000756875 [0,0,0,0,1,0|3,0,0]=4 3629 B10R1.66 CC(O)CSc1cc[nH]n1 62a_100000062575_100011218427 [0,0,0,0,1,0|3,0,0]=4 3630 B10R1.66 CC(O)CSc1cc[nH]n1 62a_100011218427_100000062575 [0,0,0,0,1,0|3,0,0]=4 3631 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,0,0,0,1,0|2,0,0]=3 3632 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,0,0,0,1,0|2,0,0]=3 3633 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,0,0,0,1,0|2,0,0]=3 3634 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,0,0,0,1,0|2,0,0]=3 3635 B10R1.66 CC(O)CSc1ccoc1 62a_100011215275_100011218427 [0,0,0,0,1,0|2,0,0]=3 3636 B10R1.66 CC(O)CSc1ccoc1 62a_100011218427_100011215275 [0,0,0,0,1,0|2,0,0]=3 3637 B10R1.66 CC(O)CSc1ccon1 62a_100009818083_100011218427 [0,0,0,0,1,0|3,0,0]=4 3638 B10R1.66 CC(O)CSc1ccon1 62a_100011218427_100009818083 [0,0,0,0,1,0|3,0,0]=4 3639 B10R1.66 CC(O)CSc1ccsc1 62a_100000738268_100011218427 [0,0,0,0,1,0|2,0,0]=3 3640 B10R1.66 CC(O)CSc1ccsc1 62a_100011218427_100000738268 [0,0,0,0,1,0|2,0,0]=3 3641 B10R1.66 CC(O)CSc1ccsn1 62a_100009818082_100011218427 [0,0,0,0,1,0|3,0,0]=4 3642 B10R1.66 CC(O)CSc1ccsn1 62a_100011218427_100009818082 [0,0,0,0,1,0|3,0,0]=4 3643 B10R1.66 CC(O)CSc1cn[nH]c1 62a_100000238712_100011218427 [0,0,0,0,1,0|3,0,0]=4 3644 B10R1.66 CC(O)CSc1cn[nH]c1 62a_100011218427_100000238712 [0,0,0,0,1,0|3,0,0]=4 3645 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,0,0,0,1,0|3,0,0]=4 3646 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,0,0,0,1,0|3,0,0]=4 3647 B10R1.66 CC(O)CSc1cncs1 62a_100011218427_100011934649 [0,0,0,0,1,0|3,0,0]=4 3648 B10R1.66 CC(O)CSc1cncs1 62a_100011934649_100011218427 [0,0,0,0,1,0|3,0,0]=4 3649 B10R1.66 CC(O)CSc1cnoc1 62a_100009815712_100011218427 [0,0,0,0,1,0|3,0,0]=4 3650 B10R1.66 CC(O)CSc1cnoc1 62a_100011218427_100009815712 [0,0,0,0,1,0|3,0,0]=4 3651 B10R1.66 CC(O)CSc1cnsc1 62a_100009815736_100011218427 [0,0,0,0,1,0|3,0,0]=4 3652 B10R1.66 CC(O)CSc1cnsc1 62a_100011218427_100009815736 [0,0,0,0,1,0|3,0,0]=4 3653 B10R1.66 CC(O)CSc1cscn1 62a_100000751502_100011218427 [0,0,0,0,1,0|3,0,0]=4 3654 B10R1.66 CC(O)CSc1cscn1 62a_100011218427_100000751502 [0,0,0,0,1,0|3,0,0]=4 3655 B10R1.66 CC(O)CSc1ncc[nH]1 62a_100011218427_100025796157 [0,0,0,0,1,0|3,0,0]=4 3656 B10R1.66 CC(O)CSc1ncc[nH]1 62a_100025796157_100011218427 [0,0,0,0,1,0|3,0,0]=4 3657 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [0,0,0,0,1,0|3,0,0]=4 3658 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [0,0,0,0,1,0|3,0,0]=4 3659 B10R1.66 CC(O)CSc1nccs1 62a_100000211983_100011218427 [0,0,0,0,1,0|3,0,0]=4 3660 B10R1.66 CC(O)CSc1nccs1 62a_100011218427_100000211983 [0,0,0,0,1,0|3,0,0]=4 3661 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,0,0,0,1,0|3,0,0]=4 3662 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,0,0,0,1,0|3,0,0]=4 3663 B10R1.66 CN(C)CCn1cccc1 2230a_100102631434_200009811947 [0,0,0,0,1,0|3,0,0]=4 3664 B10R1.66 CN(C)CCn1cccc1 269982a_100102631434_200000035178 [0,0,0,0,1,0|3,0,0]=4 3665 B10R1.66 C[C@@H](O)COc1ccsc1 34a_100000106738_100009817552 [0,0,0,0,1,0|2,0,0]=3 3666 B10R1.66 C[C@@H](O)COc1ccsc1 7a_100000106738_100009817552 [0,0,0,0,1,0|2,0,0]=3 3667 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100000756875_100009817552 [0,0,0,0,1,0|3,0,0]=4 3668 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100009817552_100000756875 [0,0,0,0,1,0|3,0,0]=4 3669 B10R1.66 C[C@@H](O)CSc1cc[nH]n1 62a_100000062575_100009817552 [0,0,0,0,1,0|3,0,0]=4 3670 B10R1.66 C[C@@H](O)CSc1cc[nH]n1 62a_100009817552_100000062575 [0,0,0,0,1,0|3,0,0]=4 3671 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,0,0,0,1,0|2,0,0]=3 3672 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,0,0,0,1,0|2,0,0]=3 3673 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,0,0,0,1,0|2,0,0]=3 3674 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,0,0,0,1,0|2,0,0]=3 3675 B10R1.66 C[C@@H](O)CSc1ccoc1 62a_100009817552_100011215275 [0,0,0,0,1,0|2,0,0]=3 3676 B10R1.66 C[C@@H](O)CSc1ccoc1 62a_100011215275_100009817552 [0,0,0,0,1,0|2,0,0]=3 3677 B10R1.66 C[C@@H](O)CSc1ccon1 62a_100009817552_100009818083 [0,0,0,0,1,0|3,0,0]=4 3678 B10R1.66 C[C@@H](O)CSc1ccon1 62a_100009818083_100009817552 [0,0,0,0,1,0|3,0,0]=4 3679 B10R1.66 C[C@@H](O)CSc1ccsc1 62a_100000738268_100009817552 [0,0,0,0,1,0|2,0,0]=3 3680 B10R1.66 C[C@@H](O)CSc1ccsc1 62a_100009817552_100000738268 [0,0,0,0,1,0|2,0,0]=3 3681 B10R1.66 C[C@@H](O)CSc1ccsn1 62a_100009817552_100009818082 [0,0,0,0,1,0|3,0,0]=4 3682 B10R1.66 C[C@@H](O)CSc1ccsn1 62a_100009818082_100009817552 [0,0,0,0,1,0|3,0,0]=4 3683 B10R1.66 C[C@@H](O)CSc1cn[nH]c1 62a_100000238712_100009817552 [0,0,0,0,1,0|3,0,0]=4 3684 B10R1.66 C[C@@H](O)CSc1cn[nH]c1 62a_100009817552_100000238712 [0,0,0,0,1,0|3,0,0]=4 3685 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,0,0,0,1,0|3,0,0]=4 3686 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,0,0,0,1,0|3,0,0]=4 3687 B10R1.66 C[C@@H](O)CSc1cncs1 62a_100009817552_100011934649 [0,0,0,0,1,0|3,0,0]=4 3688 B10R1.66 C[C@@H](O)CSc1cncs1 62a_100011934649_100009817552 [0,0,0,0,1,0|3,0,0]=4 3689 B10R1.66 C[C@@H](O)CSc1cnoc1 62a_100009815712_100009817552 [0,0,0,0,1,0|3,0,0]=4 3690 B10R1.66 C[C@@H](O)CSc1cnoc1 62a_100009817552_100009815712 [0,0,0,0,1,0|3,0,0]=4 3691 B10R1.66 C[C@@H](O)CSc1cnsc1 62a_100009815736_100009817552 [0,0,0,0,1,0|3,0,0]=4 3692 B10R1.66 C[C@@H](O)CSc1cnsc1 62a_100009817552_100009815736 [0,0,0,0,1,0|3,0,0]=4 3693 B10R1.66 C[C@@H](O)CSc1cscn1 62a_100000751502_100009817552 [0,0,0,0,1,0|3,0,0]=4 3694 B10R1.66 C[C@@H](O)CSc1cscn1 62a_100009817552_100000751502 [0,0,0,0,1,0|3,0,0]=4 3695 B10R1.66 C[C@@H](O)CSc1ncc[nH]1 62a_100009817552_100025796157 [0,0,0,0,1,0|3,0,0]=4 3696 B10R1.66 C[C@@H](O)CSc1ncc[nH]1 62a_100025796157_100009817552 [0,0,0,0,1,0|3,0,0]=4 3697 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [0,0,0,0,1,0|3,0,0]=4 3698 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [0,0,0,0,1,0|3,0,0]=4 3699 B10R1.66 C[C@@H](O)CSc1nccs1 62a_100000211983_100009817552 [0,0,0,0,1,0|3,0,0]=4 3700 B10R1.66 C[C@@H](O)CSc1nccs1 62a_100009817552_100000211983 [0,0,0,0,1,0|3,0,0]=4 3701 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,1,0|1,0,2]=4 3702 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,1,0|1,0,2]=4 3703 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,1,0|1,0,2]=4 3704 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,1,0|1,0,2]=4 3705 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,1,0|1,0,2]=4 3706 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,1,0|1,0,2]=4 3707 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,0,0,0,0,1|1,0,1]=3 3708 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,0,0,0,0,1|1,0,1]=3 3709 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,0,0,0,0,1|1,0,1]=3 3710 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,0,0,0,0,1|2,0,1]=4 3711 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,0,0,0,0,1|2,0,1]=4 3712 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,0,0,0,0,1|2,0,1]=4 3713 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,0,0,0,0,1|1,0,1]=3 3714 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,0,0,0,0,1|1,0,1]=3 3715 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,0,0,0,0,1|2,0,1]=4 3716 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,0,0,0,0,1|2,0,1]=4 3717 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000210063_100000730704 [0,0,0,0,0,1|2,0,1]=4 3718 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000730704_100000210063 [0,0,0,0,0,1|2,0,1]=4 3719 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000728582_100000730704 [0,0,0,0,0,1|2,0,1]=4 3720 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000730704_100000728582 [0,0,0,0,0,1|2,0,1]=4 3721 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,0,0,0,1|1,0,1]=3 3722 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,0,0,0,1|1,0,1]=3 3723 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,1|1,0,1]=3 3724 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,1|1,0,1]=3 3725 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,1|1,0,1]=3 3726 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,1|2,0,1]=4 3727 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,0,0,0,0,1|2,0,1]=4 3728 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,0,0,0,1|1,0,1]=3 3729 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,0,0,0,1|1,0,1]=3 3730 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,0,0,0,0,1|2,0,1]=4 3731 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,0,0,0,0,1|2,0,1]=4 3732 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000741622_100000211660 [0,0,0,0,0,1|2,0,1]=4 3733 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000748629_100000741622 [0,0,0,0,0,1|2,0,1]=4 3734 B12R1.252 C=C(C)CSCc1ccncc1 62a_100000748629_100015193705 [0,0,0,0,0,1|2,0,1]=4 3735 B12R1.252 C=C(C)CSCc1ccncc1 62a_100015193705_100000211660 [0,0,0,0,0,1|2,0,1]=4 3736 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,0,0,0,0,1|1,0,2]=4 3737 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,0,0,0,0,1|1,0,2]=4 3738 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,0,0,0,0,1|1,0,2]=4 3739 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,0,0,0,0,1|1,0,2]=4 3740 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,0,0,0,0,1|1,0,2]=4 3741 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,0,0,0,0,1|1,0,2]=4 3742 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,0,0,0,0,1|1,0,2]=4 3743 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,0,0,0,0,1|1,0,2]=4 3744 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,0,0,0,0,1|1,0,2]=4 3745 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,0,0,0,0,1|1,0,2]=4 3746 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,0,0,0,0,1|1,0,2]=4 3747 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,0,0,0,0,1|1,0,2]=4 3748 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,1|0,0,3]=4 3749 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,1|0,0,3]=4 3750 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,1|0,0,3]=4 3751 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,1|0,0,2]=3 3752 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,1|0,0,2]=3 3753 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,1|1,0,2]=4 3754 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,1|1,0,2]=4 3755 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,1|0,0,2]=3 3756 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,1|0,0,2]=3 3757 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,1|0,0,2]=3 3758 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,1|1,0,2]=4 3759 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,1|0,0,2]=3 3760 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,1|0,0,2]=3 3761 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,1|0,0,2]=3 3762 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,1|0,0,2]=3 3763 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,1|1,0,2]=4 3764 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,1|1,0,2]=4 3765 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,1|1,0,2]=4 3766 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,1|1,0,2]=4 3767 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,1|1,0,2]=4 3768 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,1|1,0,2]=4 3769 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,1|0,0,2]=3 3770 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,1|0,0,2]=3 3771 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,1|1,0,2]=4 3772 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,1|1,0,2]=4 3773 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,1|0,0,2]=3 3774 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,1|0,0,2]=3 3775 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,1|1,0,2]=4 3776 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,1|0,0,2]=3 3777 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,1|0,0,2]=3 3778 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,1|0,0,2]=3 3779 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,1|0,0,2]=3 3780 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,1|1,0,2]=4 3781 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,1|1,0,2]=4 3782 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,1|1,0,2]=4 3783 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,1|1,0,2]=4 3784 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,1|1,0,2]=4 3785 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,1|1,0,2]=4 3786 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,1|1,0,2]=4 3787 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,1|1,0,2]=4 3788 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,1|1,0,2]=4 3789 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,1|1,0,2]=4 3790 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,1|1,0,2]=4 3791 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,1|1,0,2]=4 3792 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,1|1,0,2]=4 3793 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,1|1,0,2]=4 3794 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,1|1,0,2]=4 3795 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,1|1,0,2]=4 3796 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,1|1,0,2]=4 3797 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,0,0,0,0,1|1,0,0]=2 3798 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,0,0,0,0,1|2,0,0]=3 3799 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [0,0,0,0,0,1|2,0,0]=3 3800 B12R1.252 CC(Br)COCc1cccnn1 34a_100012180447_100016990269 [0,0,0,0,0,1|3,0,0]=4 3801 B12R1.252 CC(Br)COCc1cnccn1 34a_100012180447_100016995436 [0,0,0,0,0,1|3,0,0]=4 3802 B12R1.252 CC(Br)COCc1cncnc1 34a_100012180447_100015196519 [0,0,0,0,0,1|3,0,0]=4 3803 B12R1.252 CC(Br)COCc1ncccn1 34a_100012180447_100000703007 [0,0,0,0,0,1|3,0,0]=4 3804 B12R1.252 CC(C)C=NNc1ccccc1 4a_100015195140_100000210432 [0,0,0,0,0,1|2,0,1]=4 3805 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,0,0,0,0,1|1,0,1]=3 3806 B12R1.252 CC(C)CC=Cc1ccccn1 271570a_100016259101_100011216584 [0,0,0,0,0,1|2,0,1]=4 3807 B12R1.252 CC(C)CC=Cc1cccnc1 271570a_100016259101_100000752921 [0,0,0,0,0,1|2,0,1]=4 3808 B12R1.252 CC(C)CC=Cc1ccncc1 271570a_100016259101_100000035832 [0,0,0,0,0,1|2,0,1]=4 3809 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,0,0,0,0,1|1,0,0]=2 3810 B12R1.252 CC(C)CCNc1cccnn1 27a_100000210545_100016991348 [0,0,0,0,0,1|3,0,0]=4 3811 B12R1.252 CC(C)CCNc1ccncn1 27a_100000210545_100000703185 [0,0,0,0,0,1|3,0,0]=4 3812 B12R1.252 CC(C)CCNc1cnccn1 27a_100000210545_100000211759 [0,0,0,0,0,1|3,0,0]=4 3813 B12R1.252 CC(C)CCNc1ncccn1 27a_100000210545_100000211032 [0,0,0,0,0,1|3,0,0]=4 3814 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,0,0,0,0,1|1,0,0]=2 3815 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,0,0,0,0,1|1,0,0]=2 3816 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,0,0,0,0,1|2,0,0]=3 3817 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,0,0,0,0,1|2,0,0]=3 3818 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,0,0,0,0,1|2,0,0]=3 3819 B12R1.252 CC(C)CCOc1ccnnc1 34a_100015204005_100000210312 [0,0,0,0,0,1|3,0,0]=4 3820 B12R1.252 CC(C)CCOc1cncnc1 7a_100000754086_100000210626 [0,0,0,0,0,1|3,0,0]=4 3821 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,0,0,0,0,1|1,0,0]=2 3822 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,0,0,0,0,1|1,0,0]=2 3823 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,0,0,0,0,1|2,0,0]=3 3824 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,0,0,0,0,1|2,0,0]=3 3825 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [0,0,0,0,0,1|2,0,0]=3 3826 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [0,0,0,0,0,1|2,0,0]=3 3827 B12R1.252 CC(C)CCSc1cccnn1 62a_100000210312_100016991348 [0,0,0,0,0,1|3,0,0]=4 3828 B12R1.252 CC(C)CCSc1cccnn1 62a_100016991348_100000210312 [0,0,0,0,0,1|3,0,0]=4 3829 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [0,0,0,0,0,1|2,0,0]=3 3830 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [0,0,0,0,0,1|2,0,0]=3 3831 B12R1.252 CC(C)CCSc1ccncn1 62a_100000210312_100000703185 [0,0,0,0,0,1|3,0,0]=4 3832 B12R1.252 CC(C)CCSc1ccncn1 62a_100000703185_100000210312 [0,0,0,0,0,1|3,0,0]=4 3833 B12R1.252 CC(C)CCSc1ccnnc1 62a_100000210312_100000732662 [0,0,0,0,0,1|3,0,0]=4 3834 B12R1.252 CC(C)CCSc1ccnnc1 62a_100000732662_100000210312 [0,0,0,0,0,1|3,0,0]=4 3835 B12R1.252 CC(C)CCSc1cnccn1 62a_100000210312_100000211759 [0,0,0,0,0,1|3,0,0]=4 3836 B12R1.252 CC(C)CCSc1cnccn1 62a_100000211759_100000210312 [0,0,0,0,0,1|3,0,0]=4 3837 B12R1.252 CC(C)CCSc1cncnc1 62a_100000210312_100011206942 [0,0,0,0,0,1|3,0,0]=4 3838 B12R1.252 CC(C)CCSc1cncnc1 62a_100011206942_100000210312 [0,0,0,0,0,1|3,0,0]=4 3839 B12R1.252 CC(C)CCSc1ncccn1 62a_100000210312_100000211032 [0,0,0,0,0,1|3,0,0]=4 3840 B12R1.252 CC(C)CCSc1ncccn1 62a_100000211032_100000210312 [0,0,0,0,0,1|3,0,0]=4 3841 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,0,0,0,0,1|1,0,0]=2 3842 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,0,0,0,0,1|1,0,0]=2 3843 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,0,0,0,0,1|1,0,0]=2 3844 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,0,0,0,0,1|1,0,0]=2 3845 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,0,0,0,0,1|1,0,0]=2 3846 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,0,0,0,0,1|1,0,0]=2 3847 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,0,0,0,0,1|1,0,0]=2 3848 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,0,0,0,0,1|2,0,0]=3 3849 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,0,0,0,0,1|2,0,0]=3 3850 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,0,0,0,0,1|2,0,0]=3 3851 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,0,0,0,0,1|2,0,0]=3 3852 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,0,0,0,0,1|2,0,0]=3 3853 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,0,0,0,0,1|2,0,0]=3 3854 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,0,0,0,0,1|2,0,0]=3 3855 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,0,0,0,0,1|2,0,0]=3 3856 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,0,0,0,0,1|2,0,0]=3 3857 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,0,0,0,0,1|2,0,0]=3 3858 B12R1.252 CC(C)CNCc1cccnn1 2230a_100000210953_100016990269 [0,0,0,0,0,1|3,0,0]=4 3859 B12R1.252 CC(C)CNCc1cccnn1 2230a_100159270163_100000210760 [0,0,0,0,0,1|3,0,0]=4 3860 B12R1.252 CC(C)CNCc1cccnn1 34a_100000210953_100016990269 [0,0,0,0,0,1|3,0,0]=4 3861 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,0,0,0,0,1|2,0,0]=3 3862 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,0,0,0,0,1|2,0,0]=3 3863 B12R1.252 CC(C)CNCc1ccnnc1 270004a_100000210953_100011934578 [0,0,0,0,0,1|3,0,0]=4 3864 B12R1.252 CC(C)CNCc1cnccn1 2230a_100000210953_100016995436 [0,0,0,0,0,1|3,0,0]=4 3865 B12R1.252 CC(C)CNCc1cnccn1 270004a_100000210953_100000749867 [0,0,0,0,0,1|3,0,0]=4 3866 B12R1.252 CC(C)CNCc1cnccn1 34a_100000210953_100016995436 [0,0,0,0,0,1|3,0,0]=4 3867 B12R1.252 CC(C)CNCc1cncnc1 2230a_100000210953_100015196519 [0,0,0,0,0,1|3,0,0]=4 3868 B12R1.252 CC(C)CNCc1cncnc1 2230a_100011243677_100000210760 [0,0,0,0,0,1|3,0,0]=4 3869 B12R1.252 CC(C)CNCc1cncnc1 270004a_100000210953_100000749868 [0,0,0,0,0,1|3,0,0]=4 3870 B12R1.252 CC(C)CNCc1cncnc1 270004a_100011243677_100000210432 [0,0,0,0,0,1|3,0,0]=4 3871 B12R1.252 CC(C)CNCc1cncnc1 34a_100000210953_100015196519 [0,0,0,0,0,1|3,0,0]=4 3872 B12R1.252 CC(C)CNCc1ncccn1 2230a_100000210953_100000703007 [0,0,0,0,0,1|3,0,0]=4 3873 B12R1.252 CC(C)CNCc1ncccn1 270004a_100000210953_100011532527 [0,0,0,0,0,1|3,0,0]=4 3874 B12R1.252 CC(C)CNCc1ncccn1 34a_100000210953_100000703007 [0,0,0,0,0,1|3,0,0]=4 3875 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,0,0,0,0,1|1,0,0]=2 3876 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,0,0,0,0,1|1,0,0]=2 3877 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,0,0,0,0,1|1,0,0]=2 3878 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,0,0,0,0,1|2,0,0]=3 3879 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,0,0,0,0,1|2,0,0]=3 3880 B12R1.252 CC(C)COCc1cccnn1 34a_100000210257_100016990269 [0,0,0,0,0,1|3,0,0]=4 3881 B12R1.252 CC(C)COCc1cnccn1 34a_100000210257_100016995436 [0,0,0,0,0,1|3,0,0]=4 3882 B12R1.252 CC(C)COCc1cncnc1 34a_100000210257_100015196519 [0,0,0,0,0,1|3,0,0]=4 3883 B12R1.252 CC(C)COCc1ncccn1 34a_100000210257_100000703007 [0,0,0,0,0,1|3,0,0]=4 3884 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,0,0,0,0,1|1,0,0]=2 3885 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,0,0,0,0,1|1,0,0]=2 3886 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,0,0,0,0,1|2,0,0]=3 3887 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,0,0,0,0,1|2,0,0]=3 3888 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,0,0,0,0,1|2,0,0]=3 3889 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,0,0,0,0,1|2,0,0]=3 3890 B12R1.252 CC(C)CSCc1cccnn1 62a_100000210624_100016990269 [0,0,0,0,0,1|3,0,0]=4 3891 B12R1.252 CC(C)CSCc1cccnn1 62a_100016990269_100000210760 [0,0,0,0,0,1|3,0,0]=4 3892 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,0,0,0,0,1|2,0,0]=3 3893 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,0,0,0,0,1|2,0,0]=3 3894 B12R1.252 CC(C)CSCc1cnccn1 62a_100000210624_100016995436 [0,0,0,0,0,1|3,0,0]=4 3895 B12R1.252 CC(C)CSCc1cnccn1 62a_100016995436_100000210760 [0,0,0,0,0,1|3,0,0]=4 3896 B12R1.252 CC(C)CSCc1cncnc1 62a_100000210624_100015196519 [0,0,0,0,0,1|3,0,0]=4 3897 B12R1.252 CC(C)CSCc1cncnc1 62a_100015196519_100000210760 [0,0,0,0,0,1|3,0,0]=4 3898 B12R1.252 CC(C)CSCc1ncccn1 62a_100000210624_100000703007 [0,0,0,0,0,1|3,0,0]=4 3899 B12R1.252 CC(C)CSCc1ncccn1 62a_100000703007_100000210760 [0,0,0,0,0,1|3,0,0]=4 3900 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,0,0,0,0,1|1,0,0]=2 3901 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,0,0,0,0,1|1,0,0]=2 3902 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,0,0,0,0,1|1,0,0]=2 3903 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,0,0,0,0,1|1,0,0]=2 3904 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,0,0,0,0,1|2,0,0]=3 3905 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,0,0,0,0,1|2,0,0]=3 3906 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,0,0,0,0,1|2,0,0]=3 3907 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,0,0,0,0,1|2,0,0]=3 3908 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,0,0,0,0,1|2,0,0]=3 3909 B12R1.252 CC(C)NN=Cc1ccccc1 4a_100000741168_100015611070 [0,0,0,0,0,1|2,0,1]=4 3910 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,0,0,0,0,1|1,0,0]=2 3911 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,0,0,0,0,1|1,0,0]=2 3912 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,0,0,0,0,1|1,0,0]=2 3913 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,0,0,0,0,1|2,0,0]=3 3914 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [0,0,0,0,0,1|2,0,0]=3 3915 B12R1.252 CC(C)OCCc1ccncc1 34a_100011216225_100000210206 [0,0,0,0,0,1|2,0,0]=3 3916 B12R1.252 CC(C)OCCc1cnccn1 34a_100011349526_100000210206 [0,0,0,0,0,1|3,0,0]=4 3917 B12R1.252 CC(C)OCCc1cncnc1 34a_100011709255_100000210206 [0,0,0,0,0,1|3,0,0]=4 3918 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [0,0,0,0,0,1|2,0,0]=3 3919 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,0,0,0,0,1|2,0,0]=3 3920 B12R1.252 CC(C)OCOc1cccnc1 34a_100000210849_100000709892 [0,0,0,0,0,1|3,0,0]=4 3921 B12R1.252 CC(C)OCOc1ccncc1 34a_100000212176_100000709892 [0,0,0,0,0,1|3,0,0]=4 3922 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [0,0,0,0,0,1|2,0,0]=3 3923 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [0,0,0,0,0,1|2,0,0]=3 3924 B12R1.252 CC(C)OCSc1ccccn1 62a_100000709892_100011216584 [0,0,0,0,0,1|3,0,0]=4 3925 B12R1.252 CC(C)OCSc1ccccn1 62a_100011216584_100000709892 [0,0,0,0,0,1|3,0,0]=4 3926 B12R1.252 CC(C)OCSc1cccnc1 62a_100000210063_100000709892 [0,0,0,0,0,1|3,0,0]=4 3927 B12R1.252 CC(C)OCSc1cccnc1 62a_100000709892_100000210063 [0,0,0,0,0,1|3,0,0]=4 3928 B12R1.252 CC(C)OCSc1ccncc1 62a_100000709892_100000728582 [0,0,0,0,0,1|3,0,0]=4 3929 B12R1.252 CC(C)OCSc1ccncc1 62a_100000728582_100000709892 [0,0,0,0,0,1|3,0,0]=4 3930 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,0,0,0,0,1|1,0,0]=2 3931 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,0,0,0,0,1|1,0,0]=2 3932 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,0,0,0,0,1|2,0,0]=3 3933 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,0,0,0,0,1|2,0,0]=3 3934 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [0,0,0,0,0,1|2,0,0]=3 3935 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [0,0,0,0,0,1|2,0,0]=3 3936 B12R1.252 CC(C)SCCc1ccncc1 62a_100000210206_100000723409 [0,0,0,0,0,1|2,0,0]=3 3937 B12R1.252 CC(C)SCCc1ccncc1 62a_100000723409_100000210206 [0,0,0,0,0,1|2,0,0]=3 3938 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [0,0,0,0,0,1|2,0,0]=3 3939 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [0,0,0,0,0,1|2,0,0]=3 3940 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,0,0,0,0,1|1,0,0]=2 3941 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,0,0,0,0,1|2,0,0]=3 3942 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [0,0,0,0,0,1|2,0,0]=3 3943 B12R1.252 CC(F)COCc1cccnn1 34a_100015925927_100016990269 [0,0,0,0,0,1|3,0,0]=4 3944 B12R1.252 CC(F)COCc1cnccn1 34a_100015925927_100016995436 [0,0,0,0,0,1|3,0,0]=4 3945 B12R1.252 CC(F)COCc1cncnc1 34a_100015925927_100015196519 [0,0,0,0,0,1|3,0,0]=4 3946 B12R1.252 CC(F)COCc1ncccn1 34a_100015925927_100000703007 [0,0,0,0,0,1|3,0,0]=4 3947 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,0,0,0,0,1|0,0,0]=1 3948 B12R1.252 CC(O)CCNc1cccnn1 27a_200000755665_100016991348 [0,0,0,0,0,1|2,0,0]=3 3949 B12R1.252 CC(O)CCNc1ccncn1 27a_200000755665_100000703185 [0,0,0,0,0,1|2,0,0]=3 3950 B12R1.252 CC(O)CCNc1cnccn1 27a_200000755665_100000211759 [0,0,0,0,0,1|2,0,0]=3 3951 B12R1.252 CC(O)CCNc1ncccn1 27a_200000755665_100000211032 [0,0,0,0,0,1|2,0,0]=3 3952 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,0,0,0,0,1|0,0,0]=1 3953 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,0,0,0,0,1|0,0,0]=1 3954 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,0,0,0,0,1|1,0,0]=2 3955 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,0,0,0,0,1|1,0,0]=2 3956 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,0,0,0,0,1|1,0,0]=2 3957 B12R1.252 CC(O)CCOc1ccnnc1 34a_100015204005_100012276601 [0,0,0,0,0,1|2,0,0]=3 3958 B12R1.252 CC(O)CCOc1cncnc1 7a_100000754086_100012276601 [0,0,0,0,0,1|2,0,0]=3 3959 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,0,0,0,0,1|0,0,0]=1 3960 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,0,0,0,0,1|0,0,0]=1 3961 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,0,0,0,0,1|1,0,0]=2 3962 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,0,0,0,0,1|1,0,0]=2 3963 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,0,0,0,0,1|1,0,0]=2 3964 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,0,0,0,0,1|1,0,0]=2 3965 B12R1.252 CC(O)CCSc1cccnn1 62a_100012276601_100016991348 [0,0,0,0,0,1|2,0,0]=3 3966 B12R1.252 CC(O)CCSc1cccnn1 62a_100016991348_100012276601 [0,0,0,0,0,1|2,0,0]=3 3967 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,0,0,0,0,1|1,0,0]=2 3968 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,0,0,0,0,1|1,0,0]=2 3969 B12R1.252 CC(O)CCSc1ccncn1 62a_100000703185_100012276601 [0,0,0,0,0,1|2,0,0]=3 3970 B12R1.252 CC(O)CCSc1ccncn1 62a_100012276601_100000703185 [0,0,0,0,0,1|2,0,0]=3 3971 B12R1.252 CC(O)CCSc1ccnnc1 62a_100000732662_100012276601 [0,0,0,0,0,1|2,0,0]=3 3972 B12R1.252 CC(O)CCSc1ccnnc1 62a_100012276601_100000732662 [0,0,0,0,0,1|2,0,0]=3 3973 B12R1.252 CC(O)CCSc1cnccn1 62a_100000211759_100012276601 [0,0,0,0,0,1|2,0,0]=3 3974 B12R1.252 CC(O)CCSc1cnccn1 62a_100012276601_100000211759 [0,0,0,0,0,1|2,0,0]=3 3975 B12R1.252 CC(O)CCSc1cncnc1 62a_100011206942_100012276601 [0,0,0,0,0,1|2,0,0]=3 3976 B12R1.252 CC(O)CCSc1cncnc1 62a_100012276601_100011206942 [0,0,0,0,0,1|2,0,0]=3 3977 B12R1.252 CC(O)CCSc1cnnnc1 62a_100009846058_100012276601 [0,0,0,0,0,1|3,0,0]=4 3978 B12R1.252 CC(O)CCSc1cnnnc1 62a_100012276601_100009846058 [0,0,0,0,0,1|3,0,0]=4 3979 B12R1.252 CC(O)CCSc1ncccn1 62a_100000211032_100012276601 [0,0,0,0,0,1|2,0,0]=3 3980 B12R1.252 CC(O)CCSc1ncccn1 62a_100012276601_100000211032 [0,0,0,0,0,1|2,0,0]=3 3981 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,0,0,0,0,1|0,0,0]=1 3982 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,0,0,0,0,1|0,0,0]=1 3983 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,0,0,0,0,1|0,0,0]=1 3984 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,0,0,0,0,1|0,0,0]=1 3985 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,1|0,0,0]=1 3986 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,0,0,0,0,1|0,0,0]=1 3987 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,0,0,0,0,1|1,0,0]=2 3988 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,0,0,0,0,1|1,0,0]=2 3989 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,0,0,0,0,1|1,0,0]=2 3990 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,0,0,0,0,1|1,0,0]=2 3991 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,0,0,0,0,1|1,0,0]=2 3992 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,0,0,0,0,1|1,0,0]=2 3993 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,0,0,0,0,1|1,0,0]=2 3994 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,0,0,0,0,1|1,0,0]=2 3995 B12R1.252 CC(O)CNCc1cccnn1 2230a_100000210904_100016990269 [0,0,0,0,0,1|2,0,0]=3 3996 B12R1.252 CC(O)CNCc1cccnn1 2230a_100159270163_100011218427 [0,0,0,0,0,1|2,0,0]=3 3997 B12R1.252 CC(O)CNCc1cccnn1 34a_100000210904_100016990269 [0,0,0,0,0,1|2,0,0]=3 3998 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,0,0,0,0,1|1,0,0]=2 3999 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,0,0,0,0,1|1,0,0]=2 4000 B12R1.252 CC(O)CNCc1ccnnc1 270004a_100000210904_100011934578 [0,0,0,0,0,1|2,0,0]=3 4001 B12R1.252 CC(O)CNCc1cnccn1 2230a_100000210904_100016995436 [0,0,0,0,0,1|2,0,0]=3 4002 B12R1.252 CC(O)CNCc1cnccn1 270004a_100000210904_100000749867 [0,0,0,0,0,1|2,0,0]=3 4003 B12R1.252 CC(O)CNCc1cnccn1 34a_100000210904_100016995436 [0,0,0,0,0,1|2,0,0]=3 4004 B12R1.252 CC(O)CNCc1cncnc1 2230a_100000210904_100015196519 [0,0,0,0,0,1|2,0,0]=3 4005 B12R1.252 CC(O)CNCc1cncnc1 2230a_100011243677_100011218427 [0,0,0,0,0,1|2,0,0]=3 4006 B12R1.252 CC(O)CNCc1cncnc1 270004a_100000210904_100000749868 [0,0,0,0,0,1|2,0,0]=3 4007 B12R1.252 CC(O)CNCc1cncnc1 34a_100000210904_100015196519 [0,0,0,0,0,1|2,0,0]=3 4008 B12R1.252 CC(O)CNCc1ncccn1 2230a_100000210904_100000703007 [0,0,0,0,0,1|2,0,0]=3 4009 B12R1.252 CC(O)CNCc1ncccn1 270004a_100000210904_100011532527 [0,0,0,0,0,1|2,0,0]=3 4010 B12R1.252 CC(O)CNCc1ncccn1 34a_100000210904_100000703007 [0,0,0,0,0,1|2,0,0]=3 4011 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,0,0,0,0,1|0,0,0]=1 4012 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,0,0,0,0,1|0,0,0]=1 4013 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,0,0,0,1|0,0,0]=1 4014 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,0,0,0,1|0,0,0]=1 4015 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,0,0,0,0,1|1,0,0]=2 4016 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,0,0,0,0,1|1,0,0]=2 4017 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,0,0,0,0,1|1,0,0]=2 4018 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,0,0,0,0,1|1,0,0]=2 4019 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,0,0,0,0,1|2,0,0]=3 4020 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,0,0,0,0,1|2,0,0]=3 4021 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,0,0,0,0,1|1,0,0]=2 4022 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,0,0,0,0,1|1,0,0]=2 4023 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,0,0,0,0,1|2,0,0]=3 4024 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,0,0,0,0,1|2,0,0]=3 4025 B12R1.252 CC(O)CSCc1cncnc1 62a_100011218427_100015196519 [0,0,0,0,0,1|2,0,0]=3 4026 B12R1.252 CC(O)CSCc1cncnc1 62a_100015196519_100011218427 [0,0,0,0,0,1|2,0,0]=3 4027 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,0,0,0,0,1|2,0,0]=3 4028 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,0,0,0,0,1|2,0,0]=3 4029 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [0,0,0,0,0,1|2,0,1]=4 4030 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [0,0,0,0,0,1|2,0,1]=4 4031 B12R1.252 CN(C)CC#Cc1ccccc1 2230a_100102631434_100011352542 [0,0,0,0,0,1|2,0,1]=4 4032 B12R1.252 CN(C)CC#Cc1ccccc1 269982a_100102631434_100011352542 [0,0,0,0,0,1|2,0,1]=4 4033 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [0,0,0,0,0,1|2,0,1]=4 4034 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,0,0,0,0,1|2,0,0]=3 4035 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,0,0,0,0,1|2,0,0]=3 4036 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,0,0,0,0,1|2,0,0]=3 4037 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,0,0,0,0,1|2,0,0]=3 4038 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,0,0,0,0,1|2,0,0]=3 4039 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,0,0,0,0,1|2,0,0]=3 4040 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,0,0,0,0,1|2,0,0]=3 4041 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,0,0,0,0,1|2,0,0]=3 4042 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,0,0,0,0,1|2,0,0]=3 4043 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,0,0,0,0,1|2,0,0]=3 4044 B12R1.252 CN(C)CCOc1cccnc1 7a_100000210849_100000755713 [0,0,0,0,0,1|3,0,0]=4 4045 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,0,0,0,0,1|2,0,0]=3 4046 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,0,0,0,0,1|2,0,0]=3 4047 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,0,0,0,0,1|2,0,0]=3 4048 B12R1.252 CN(C)CCSc1ccccn1 62a_100011216584_100000755713 [0,0,0,0,0,1|3,0,0]=4 4049 B12R1.252 CN(C)CCSc1cccnc1 62a_100000210063_100000755713 [0,0,0,0,0,1|3,0,0]=4 4050 B12R1.252 CN(C)CCSc1ccncc1 62a_100000728582_100000755713 [0,0,0,0,0,1|3,0,0]=4 4051 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,0,0,0,0,1|2,0,0]=3 4052 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,0,0,0,0,1|2,0,0]=3 4053 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,0,0,0,0,1|2,0,0]=3 4054 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,0,0,0,0,1|2,0,0]=3 4055 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,0,0,0,0,1|2,0,0]=3 4056 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,0,0,0,0,1|2,0,0]=3 4057 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,0,0,0,0,1|2,0,0]=3 4058 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,0,0,0,0,1|1,0,0]=2 4059 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,0,0,0,0,1|2,0,0]=3 4060 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [0,0,0,0,0,1|2,0,0]=3 4061 B12R1.252 C[C@@H](Cl)COCc1cccnn1 34a_100016084084_100016990269 [0,0,0,0,0,1|3,0,0]=4 4062 B12R1.252 C[C@@H](Cl)COCc1cnccn1 34a_100016084084_100016995436 [0,0,0,0,0,1|3,0,0]=4 4063 B12R1.252 C[C@@H](Cl)COCc1cncnc1 34a_100016084084_100015196519 [0,0,0,0,0,1|3,0,0]=4 4064 B12R1.252 C[C@@H](Cl)COCc1ncccn1 34a_100016084084_100000703007 [0,0,0,0,0,1|3,0,0]=4 4065 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,0,0,0,0,1|1,0,0]=2 4066 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,0,0,0,0,1|2,0,0]=3 4067 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,0,0,0,0,1|2,0,0]=3 4068 B12R1.252 C[C@@H](N)COCc1cccnn1 34a_100000737577_100016990269 [0,0,0,0,0,1|3,0,0]=4 4069 B12R1.252 C[C@@H](N)COCc1cnccn1 34a_100000737577_100016995436 [0,0,0,0,0,1|3,0,0]=4 4070 B12R1.252 C[C@@H](N)COCc1cncnc1 34a_100000737577_100015196519 [0,0,0,0,0,1|3,0,0]=4 4071 B12R1.252 C[C@@H](N)COCc1ncccn1 34a_100000737577_100000703007 [0,0,0,0,0,1|3,0,0]=4 4072 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,0,0,0,0,1|0,0,0]=1 4073 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,0,0,0,0,1|0,0,0]=1 4074 B12R1.252 C[C@@H](O)CNCc1cccnn1 2230a_100159270163_100009817552 [0,0,0,0,0,1|2,0,0]=3 4075 B12R1.252 C[C@@H](O)CNCc1cncnc1 2230a_100011243677_100009817552 [0,0,0,0,0,1|2,0,0]=3 4076 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,0,0,0,0,1|0,0,0]=1 4077 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,0,0,0,0,1|0,0,0]=1 4078 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,0,0,0,1|0,0,0]=1 4079 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,0,0,0,1|0,0,0]=1 4080 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,0,0,0,0,1|1,0,0]=2 4081 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,0,0,0,0,1|1,0,0]=2 4082 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,0,0,0,0,1|1,0,0]=2 4083 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,0,0,0,0,1|1,0,0]=2 4084 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,0,0,0,0,1|2,0,0]=3 4085 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,0,0,0,0,1|2,0,0]=3 4086 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,0,0,0,0,1|1,0,0]=2 4087 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,0,0,0,0,1|1,0,0]=2 4088 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,0,0,0,0,1|2,0,0]=3 4089 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,0,0,0,0,1|2,0,0]=3 4090 B12R1.252 C[C@@H](O)CSCc1cncnc1 62a_100009817552_100015196519 [0,0,0,0,0,1|2,0,0]=3 4091 B12R1.252 C[C@@H](O)CSCc1cncnc1 62a_100015196519_100009817552 [0,0,0,0,0,1|2,0,0]=3 4092 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,0,0,0,0,1|2,0,0]=3 4093 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,0,0,0,0,1|2,0,0]=3 4094 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,0,0,0,0,1|2,0,0]=3 4095 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,0,0,0,0,1|2,0,0]=3 4096 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,0,0,0,0,1|2,0,0]=3 4097 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,0,0,0,0,1|2,0,0]=3 4098 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,0,0,0,0,1|2,0,0]=3 4099 B12R1.252 FC(F)CNCc1ccccn1 207a_100000765723_100000209966 [0,0,0,0,0,1|3,0,0]=4 4100 B12R1.252 FC(F)CNCc1ccccn1 270004a_100000765723_100000209966 [0,0,0,0,0,1|3,0,0]=4 4101 B12R1.252 FC(F)CNCc1ccccn1 34a_100000765723_100000721315 [0,0,0,0,0,1|3,0,0]=4 4102 B12R1.252 FC(F)CNCc1cccnc1 207a_100000765723_100000209961 [0,0,0,0,0,1|3,0,0]=4 4103 B12R1.252 FC(F)CNCc1cccnc1 270004a_100000765723_100000209961 [0,0,0,0,0,1|3,0,0]=4 4104 B12R1.252 FC(F)CNCc1cccnc1 34a_100000765723_100000733263 [0,0,0,0,0,1|3,0,0]=4 4105 B12R1.252 FC(F)CNCc1ccncc1 207a_100000765723_100000186114 [0,0,0,0,0,1|3,0,0]=4 4106 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,0,0,0,0,1|2,0,0]=3 4107 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,0,0,0,0,1|2,0,0]=3 4108 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,0,0,0,0,1|2,0,0]=3 4109 B12R1.252 FC(F)COCc1ccccn1 34a_100000743014_100000721315 [0,0,0,0,0,1|3,0,0]=4 4110 B12R1.252 FC(F)COCc1cccnc1 34a_100000743014_100000733263 [0,0,0,0,0,1|3,0,0]=4 4111 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [0,0,0,0,0,1|2,0,0]=3 4112 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [0,0,0,0,0,1|2,0,0]=3 4113 B12R1.252 FC(F)CSCc1ccccn1 62a_100000721315_100011934356 [0,0,0,0,0,1|3,0,0]=4 4114 B12R1.252 FC(F)CSCc1ccccn1 62a_100011934356_100000721315 [0,0,0,0,0,1|3,0,0]=4 4115 B12R1.252 FC(F)CSCc1cccnc1 62a_100000741622_100011934356 [0,0,0,0,0,1|3,0,0]=4 4116 B12R1.252 FC(F)CSCc1cccnc1 62a_100011934356_100000741622 [0,0,0,0,0,1|3,0,0]=4 4117 B12R1.252 FC(F)CSCc1ccncc1 62a_100011934356_100015193705 [0,0,0,0,0,1|3,0,0]=4 4118 B12R1.252 FC(F)CSCc1ccncc1 62a_100015193705_100011934356 [0,0,0,0,0,1|3,0,0]=4 4119 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,1|1,0,2]=4 4120 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,1|1,0,2]=4 4121 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,1|1,0,2]=4 4122 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,1|1,0,2]=4 4123 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,1|1,0,2]=4 4124 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,1|1,0,2]=4 4125 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,1|1,0,2]=4 4126 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,1|1,0,2]=4 4127 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,1|1,0,2]=4 4128 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,1|1,0,2]=4 4129 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,1|1,0,2]=4 4130 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,1|1,0,2]=4 4131 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,1|1,0,1]=3 4132 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,1|2,0,1]=4 4133 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,1|2,0,1]=4 4134 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,1|2,0,1]=4 4135 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,1|1,0,2]=4 4136 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,1|1,0,2]=4 4137 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,1|1,0,2]=4 4138 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,1|1,0,2]=4 4139 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,0,0,0,0,1|2,0,1]=4 4140 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,0,0,0,0,1|2,0,1]=4 4141 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,0,0,0,0,1|2,0,1]=4 4142 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,1|0,0,3]=4 4143 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,1|0,0,2]=3 4144 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,1|1,0,2]=4 4145 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,1|1,0,2]=4 4146 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,1|0,0,2]=3 4147 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,1|0,0,2]=3 4148 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,1|0,0,2]=3 4149 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,1|0,0,2]=3 4150 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,1|1,0,2]=4 4151 B9R0.43 C=CC(C=C)OCC(C)O 34a_100000033096_100011218427 [1,0,1,0,0,0|1,0,1]=4 4152 B9R0.43 C=CC(C=C)OC[C@@H](C)O 34a_100000033096_100009817552 [1,0,1,0,0,0|1,0,1]=4 4153 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [1,0,1,0,0,0|1,0,1]=4 4154 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [1,0,1,0,0,0|2,0,0]=4 4155 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [1,0,1,0,0,0|2,0,0]=4 4156 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [1,0,1,0,0,0|2,0,0]=4 4157 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [1,0,1,0,0,0|1,0,1]=4 4158 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|1,0,0]=3 4159 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [1,0,1,0,0,0|2,0,0]=4 4160 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,0,1,0,0,0|1,0,0]=3 4161 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,1,0,0,0|2,0,0]=4 4162 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,0,1,0,0,0|2,0,0]=4 4163 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [1,0,1,0,0,0|2,0,0]=4 4164 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 4165 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 4166 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 4167 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 4168 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 4169 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 4170 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 4171 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 4172 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 4173 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 4174 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 4175 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 4176 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 4177 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 4178 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 4179 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,0]=3 4180 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 4181 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,0]=3 4182 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,0]=3 4183 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 4184 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,0]=3 4185 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,0]=3 4186 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 4187 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 4188 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 4189 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 4190 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 4191 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 4192 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 4193 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 4194 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 4195 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 4196 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|2,0,0]=4 4197 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 4198 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 4199 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 4200 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 4201 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 4202 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 4203 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 4204 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 4205 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 4206 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 4207 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 4208 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 4209 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 4210 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 4211 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 4212 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 4213 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 4214 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 4215 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 4216 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 4217 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 4218 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 4219 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 4220 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 4221 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 4222 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 4223 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 4224 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 4225 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 4226 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 4227 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 4228 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 4229 B11R0.46 C/C=C/C=CC(=O)CCC(C)C 1458a_100000185730_100000210312 [0,1,1,0,0,0|1,0,1]=4 4230 B11R0.46 C/C=C/C=CC(=O)CCC(C)O 1458a_100000185730_100012276601 [0,1,1,0,0,0|0,0,1]=3 4231 B11R0.46 C/C=C/C=CC(=O)NCC(C)O 11a_100000210904_100000185730 [0,1,1,0,0,0|1,0,1]=4 4232 B11R0.46 C/C=C/C=CC(=O)NCC(C)O 240690a_100000210904_100000185730 [0,1,1,0,0,0|1,0,1]=4 4233 B11R0.147 C=CC=CC(=O)CCCC(C)C 1458a_100016291481_100011214892 [0,1,1,0,0,0|1,0,1]=4 4234 B11R0.147 C=CC=CC(=O)CCCC(C)O 1458a_100016291481_200000718107 [0,1,1,0,0,0|0,0,1]=3 4235 B11R0.147 C=CC=CC(=O)NCCC(C)C 1626a_100000210545_100016291481 [0,1,1,0,0,0|2,0,0]=4 4236 B11R0.147 C=CC=CC(=O)NNCC(C)O 22a_200000730056_100016291481 [0,1,1,0,0,0|2,0,0]=4 4237 B11R0.148 C/C=C/C=C/COCCC(C)O 34a_100016283227_100012276601 [0,1,1,0,0,0|0,0,2]=4 4238 B11R0.148 CC=CC=CC=NNCC(C)O 4a_200000730056_100000691131 [0,1,1,0,0,0|1,0,1]=4 4239 B11R0.280 C=CCN(CC=C)CCC(C)O 2230a_100000210471_100012276601 [0,1,1,0,0,0|1,0,1]=4 4240 B11R0.280 C=CCN(CC=C)CCC(C)O 269982a_100000210471_100012276601 [0,1,1,0,0,0|1,0,1]=4 4241 B11R0.68 C=CC=CC(=O)C(C)CC(C)C 1458a_100016291481_100000731052 [0,1,1,0,0,0|2,0,0]=4 4242 B11R0.70 C=CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100016291481 [0,1,1,0,0,0|2,0,0]=4 4243 B11R0.82 C=CC=CC(=O)CCC(C)(C)C 1458a_100016291481_100000755188 [0,1,1,0,0,0|2,0,0]=4 4244 B11R0.82 C=CC=CC(=O)NCC(C)(C)O 1626a_100000751335_100016291481 [0,1,1,0,0,0|2,0,0]=4 4245 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|1,0,0]=3 4246 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|1,0,0]=3 4247 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [1,1,0,0,0,0|2,0,0]=4 4248 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|0,0,0]=2 4249 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|0,0,0]=2 4250 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|0,0,0]=2 4251 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|0,0,0]=2 4252 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|0,0,0]=2 4253 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|0,0,0]=2 4254 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|0,0,0]=2 4255 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|1,0,0]=3 4256 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|1,0,0]=3 4257 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|1,0,0]=3 4258 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|1,0,0]=3 4259 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|1,0,0]=3 4260 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|1,0,0]=3 4261 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|1,0,0]=3 4262 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|1,0,0]=3 4263 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|1,0,0]=3 4264 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|1,0,0]=3 4265 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|1,0,0]=3 4266 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [1,1,0,0,0,0|2,0,0]=4 4267 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [1,1,0,0,0,0|2,0,0]=4 4268 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [1,1,0,0,0,0|2,0,0]=4 4269 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [1,1,0,0,0,0|2,0,0]=4 4270 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [1,1,0,0,0,0|2,0,0]=4 4271 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [1,1,0,0,0,0|2,0,0]=4 4272 B11R1.1 CCCCc1cnc(nc1)Br 271570a_100020621405_200012349914 [1,1,0,0,0,0|2,0,0]=4 4273 B11R1.1 CCCCc1cnc(nc1)C 271570a_100020621405_100000686985 [1,1,0,0,0,0|2,0,0]=4 4274 B11R1.1 CCCCc1cnc(nc1)F 271570a_100020621405_100000685262 [1,1,0,0,0,0|2,0,0]=4 4275 B11R1.1 CCCCc1cnc(nc1)N 271570a_100020621405_100000760574 [1,1,0,0,0,0|2,0,0]=4 4276 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [1,1,0,0,0,0|2,0,0]=4 4277 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [1,1,0,0,0,0|2,0,0]=4 4278 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [1,1,0,0,0,0|2,0,0]=4 4279 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [1,1,0,0,0,0|2,0,0]=4 4280 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [1,1,0,0,0,0|2,0,0]=4 4281 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [1,1,0,0,0,0|2,0,0]=4 4282 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|1,0,0]=3 4283 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|1,0,0]=3 4284 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|1,0,0]=3 4285 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|1,0,0]=3 4286 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|1,0,0]=3 4287 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|1,0,0]=3 4288 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|1,0,0]=3 4289 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|1,0,0]=3 4290 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [1,1,0,0,0,0|2,0,0]=4 4291 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|1,0,0]=3 4292 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|1,0,0]=3 4293 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|1,0,0]=3 4294 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|1,0,0]=3 4295 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|1,0,0]=3 4296 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|1,0,0]=3 4297 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|1,0,0]=3 4298 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|1,0,0]=3 4299 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|1,0,0]=3 4300 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|1,0,0]=3 4301 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|1,0,0]=3 4302 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [1,1,0,0,0,0|2,0,0]=4 4303 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [1,1,0,0,0,0|2,0,0]=4 4304 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [1,1,0,0,0,0|2,0,0]=4 4305 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [1,1,0,0,0,0|2,0,0]=4 4306 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [1,1,0,0,0,0|2,0,0]=4 4307 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [1,1,0,0,0,0|2,0,0]=4 4308 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [1,1,0,0,0,0|2,0,0]=4 4309 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [1,1,0,0,0,0|2,0,0]=4 4310 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [1,1,0,0,0,0|2,0,0]=4 4311 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [1,1,0,0,0,0|2,0,0]=4 4312 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [1,1,0,0,0,0|2,0,0]=4 4313 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [1,1,0,0,0,0|2,0,0]=4 4314 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [1,1,0,0,0,0|2,0,0]=4 4315 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [1,1,0,0,0,0|2,0,0]=4 4316 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [1,1,0,0,0,0|2,0,0]=4 4317 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [1,1,0,0,0,0|2,0,0]=4 4318 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [1,1,0,0,0,0|2,0,0]=4 4319 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [1,1,0,0,0,0|2,0,0]=4 4320 B11R1.1 CCCSc1cc[n+](cc1)[O-] 62a_100000210303_100000039755 [1,1,0,0,0,0|2,0,0]=4 4321 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [1,1,0,0,0,0|2,0,0]=4 4322 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [1,1,0,0,0,0|2,0,0]=4 4323 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|1,0,0]=3 4324 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|1,0,0]=3 4325 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|1,0,0]=3 4326 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|1,0,0]=3 4327 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|1,0,0]=3 4328 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|1,0,0]=3 4329 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|1,0,0]=3 4330 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|1,0,0]=3 4331 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|1,0,0]=3 4332 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|1,0,0]=3 4333 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|1,0,0]=3 4334 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|1,0,0]=3 4335 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [1,1,0,0,0,0|2,0,0]=4 4336 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [1,1,0,0,0,0|2,0,0]=4 4337 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [1,1,0,0,0,0|2,0,0]=4 4338 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [1,1,0,0,0,0|2,0,0]=4 4339 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [1,1,0,0,0,0|2,0,0]=4 4340 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [1,1,0,0,0,0|2,0,0]=4 4341 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [1,1,0,0,0,0|2,0,0]=4 4342 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [1,1,0,0,0,0|2,0,0]=4 4343 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [1,1,0,0,0,0|2,0,0]=4 4344 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [1,1,0,0,0,0|2,0,0]=4 4345 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [1,1,0,0,0,0|2,0,0]=4 4346 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [1,1,0,0,0,0|2,0,0]=4 4347 B11R1.1 CCCSc1ccc(nc1)Br 62a_100000210303_100009814638 [1,1,0,0,0,0|2,0,0]=4 4348 B11R1.1 CCCSc1ccc(nc1)Br 62a_100009814638_100000210303 [1,1,0,0,0,0|2,0,0]=4 4349 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [1,1,0,0,0,0|2,0,0]=4 4350 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [1,1,0,0,0,0|2,0,0]=4 4351 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [1,1,0,0,0,0|2,0,0]=4 4352 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [1,1,0,0,0,0|2,0,0]=4 4353 B11R1.1 CCCSc1ccc(nc1)F 62a_100000042367_100000210303 [1,1,0,0,0,0|2,0,0]=4 4354 B11R1.1 CCCSc1ccc(nc1)F 62a_100000210303_100000042367 [1,1,0,0,0,0|2,0,0]=4 4355 B11R1.1 CCCSc1ccc(nc1)N 62a_100000187370_100000210303 [1,1,0,0,0,0|2,0,0]=4 4356 B11R1.1 CCCSc1ccc(nc1)N 62a_100000210303_100000187370 [1,1,0,0,0,0|2,0,0]=4 4357 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|1,0,0]=3 4358 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|1,0,0]=3 4359 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|1,0,0]=3 4360 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|1,0,0]=3 4361 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|1,0,0]=3 4362 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|1,0,0]=3 4363 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|1,0,0]=3 4364 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|1,0,0]=3 4365 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|1,0,0]=3 4366 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|1,0,0]=3 4367 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|1,0,0]=3 4368 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|1,0,0]=3 4369 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|1,0,0]=3 4370 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|1,0,0]=3 4371 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|1,0,0]=3 4372 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|1,0,0]=3 4373 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|1,0,0]=3 4374 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|1,0,0]=3 4375 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|1,0,0]=3 4376 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|1,0,0]=3 4377 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|1,0,0]=3 4378 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|1,0,0]=3 4379 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|1,0,0]=3 4380 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|1,0,0]=3 4381 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|1,0,0]=3 4382 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,0]=3 4383 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [1,1,0,0,0,0|2,0,0]=4 4384 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [1,1,0,0,0,0|2,0,0]=4 4385 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [1,1,0,0,0,0|2,0,0]=4 4386 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [1,1,0,0,0,0|2,0,0]=4 4387 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [1,1,0,0,0,0|2,0,0]=4 4388 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [1,1,0,0,0,0|2,0,0]=4 4389 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [1,1,0,0,0,0|2,0,0]=4 4390 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [1,1,0,0,0,0|2,0,0]=4 4391 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [1,1,0,0,0,0|2,0,0]=4 4392 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [1,1,0,0,0,0|2,0,0]=4 4393 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [1,1,0,0,0,0|2,0,0]=4 4394 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [1,1,0,0,0,0|2,0,0]=4 4395 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [1,1,0,0,0,0|2,0,0]=4 4396 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [1,1,0,0,0,0|2,0,0]=4 4397 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [1,1,0,0,0,0|2,0,0]=4 4398 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [1,1,0,0,0,0|2,0,0]=4 4399 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100009817727_100000210202 [1,1,0,0,0,0|2,0,0]=4 4400 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100015525214_100009831999 [1,1,0,0,0,0|2,0,0]=4 4401 B11R1.1 CCNCc1ccc(nc1)Br 34a_100009817727_100000210202 [1,1,0,0,0,0|2,0,0]=4 4402 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [1,1,0,0,0,0|2,0,0]=4 4403 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [1,1,0,0,0,0|2,0,0]=4 4404 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [1,1,0,0,0,0|2,0,0]=4 4405 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [1,1,0,0,0,0|2,0,0]=4 4406 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [1,1,0,0,0,0|2,0,0]=4 4407 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [1,1,0,0,0,0|2,0,0]=4 4408 B11R1.1 CCNCc1ccc(nc1)F 2230a_100000101913_100000210202 [1,1,0,0,0,0|2,0,0]=4 4409 B11R1.1 CCNCc1ccc(nc1)F 2230a_100015525214_100009820150 [1,1,0,0,0,0|2,0,0]=4 4410 B11R1.1 CCNCc1ccc(nc1)F 34a_100000101913_100000210202 [1,1,0,0,0,0|2,0,0]=4 4411 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [1,1,0,0,0,0|2,0,0]=4 4412 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [1,1,0,0,0,0|2,0,0]=4 4413 B11R1.1 CCOCc1cc[n+](cc1)C 34a_100009831711_100000210202 [1,1,0,0,0,0|2,0,0]=4 4414 B11R1.1 CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210202 [1,1,0,0,0,0|2,0,0]=4 4415 B11R1.1 CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210202 [1,1,0,0,0,0|2,0,0]=4 4416 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [1,1,0,0,0,0|2,0,0]=4 4417 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|1,0,0]=3 4418 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|1,0,0]=3 4419 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|1,0,0]=3 4420 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|1,0,0]=3 4421 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|1,0,0]=3 4422 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|1,0,0]=3 4423 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|1,0,0]=3 4424 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|1,0,0]=3 4425 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|1,0,0]=3 4426 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|1,0,0]=3 4427 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|1,0,0]=3 4428 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|1,0,0]=3 4429 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|1,0,0]=3 4430 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|1,0,0]=3 4431 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|1,0,0]=3 4432 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|1,0,0]=3 4433 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [1,1,0,0,0,0|2,0,0]=4 4434 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [1,1,0,0,0,0|2,0,0]=4 4435 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [1,1,0,0,0,0|2,0,0]=4 4436 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [1,1,0,0,0,0|2,0,0]=4 4437 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [1,1,0,0,0,0|2,0,0]=4 4438 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [1,1,0,0,0,0|2,0,0]=4 4439 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [1,1,0,0,0,0|2,0,0]=4 4440 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [1,1,0,0,0,0|2,0,0]=4 4441 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [1,1,0,0,0,0|2,0,0]=4 4442 B11R1.1 CCOCc1ccc(nc1)Br 34a_100009816760_100000210202 [1,1,0,0,0,0|2,0,0]=4 4443 B11R1.1 CCOCc1ccc(nc1)Br 34a_100121572206_100009831999 [1,1,0,0,0,0|2,0,0]=4 4444 B11R1.1 CCOCc1ccc(nc1)Br 7a_100009816760_100000210202 [1,1,0,0,0,0|2,0,0]=4 4445 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [1,1,0,0,0,0|2,0,0]=4 4446 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [1,1,0,0,0,0|2,0,0]=4 4447 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [1,1,0,0,0,0|2,0,0]=4 4448 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [1,1,0,0,0,0|2,0,0]=4 4449 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [1,1,0,0,0,0|2,0,0]=4 4450 B11R1.1 CCOCc1ccc(nc1)F 34a_100000079959_100000210202 [1,1,0,0,0,0|2,0,0]=4 4451 B11R1.1 CCOCc1ccc(nc1)F 34a_100121572206_100000099788 [1,1,0,0,0,0|2,0,0]=4 4452 B11R1.1 CCOCc1ccc(nc1)N 34a_100000704267_100000210202 [1,1,0,0,0,0|2,0,0]=4 4453 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [1,1,0,0,0,0|2,0,0]=4 4454 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|1,0,0]=3 4455 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|1,0,0]=3 4456 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|1,0,0]=3 4457 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|1,0,0]=3 4458 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|1,0,0]=3 4459 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|1,0,0]=3 4460 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|1,0,0]=3 4461 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|1,0,0]=3 4462 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|1,0,0]=3 4463 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|1,0,0]=3 4464 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [1,1,0,0,0,0|2,0,0]=4 4465 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [1,1,0,0,0,0|2,0,0]=4 4466 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [1,1,0,0,0,0|2,0,0]=4 4467 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [1,1,0,0,0,0|2,0,0]=4 4468 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [1,1,0,0,0,0|2,0,0]=4 4469 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [1,1,0,0,0,0|2,0,0]=4 4470 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [1,1,0,0,0,0|2,0,0]=4 4471 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [1,1,0,0,0,0|2,0,0]=4 4472 B11R1.1 CCSCc1ccc(nc1)Br 62a_100000210202_100009831999 [1,1,0,0,0,0|2,0,0]=4 4473 B11R1.1 CCSCc1ccc(nc1)Br 62a_100009831999_100000210202 [1,1,0,0,0,0|2,0,0]=4 4474 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [1,1,0,0,0,0|2,0,0]=4 4475 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [1,1,0,0,0,0|2,0,0]=4 4476 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [1,1,0,0,0,0|2,0,0]=4 4477 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [1,1,0,0,0,0|2,0,0]=4 4478 B11R1.1 CCSCc1ccc(nc1)F 62a_100000210202_100000099788 [1,1,0,0,0,0|2,0,0]=4 4479 B11R1.1 CCSCc1ccc(nc1)F 62a_100009820150_100000210202 [1,1,0,0,0,0|2,0,0]=4 4480 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|1,0,0]=3 4481 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|1,0,0]=3 4482 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|1,0,0]=3 4483 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|1,0,0]=3 4484 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|1,0,0]=3 4485 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|1,0,0]=3 4486 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|1,0,0]=3 4487 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|1,0,0]=3 4488 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|1,0,0]=3 4489 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|1,0,0]=3 4490 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|1,0,0]=3 4491 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|1,0,0]=3 4492 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|1,0,0]=3 4493 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|1,0,0]=3 4494 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|1,0,0]=3 4495 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|1,0,0]=3 4496 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|1,0,0]=3 4497 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|1,0,0]=3 4498 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|1,0,0]=3 4499 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|1,0,0]=3 4500 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|1,0,0]=3 4501 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|1,0,0]=3 4502 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|1,0,0]=3 4503 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|1,0,0]=3 4504 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 4505 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|1,0,0]=3 4506 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 4507 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 4508 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|1,0,0]=3 4509 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 4510 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 4511 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|1,0,0]=3 4512 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 4513 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 4514 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|1,0,0]=3 4515 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 4516 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 4517 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 4518 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 4519 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|1,0,0]=3 4520 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,1,0,0,0,0|2,0,0]=4 4521 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [1,1,0,0,0,0|2,0,0]=4 4522 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 4523 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 4524 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [1,1,0,0,0,0|2,0,0]=4 4525 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [1,1,0,0,0,0|2,0,0]=4 4526 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|2,0,0]=4 4527 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [1,1,0,0,0,0|2,0,0]=4 4528 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [1,1,0,0,0,0|2,0,0]=4 4529 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|2,0,0]=4 4530 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|2,0,0]=4 4531 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [1,1,0,0,0,0|2,0,0]=4 4532 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [1,1,0,0,0,0|2,0,0]=4 4533 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [1,1,0,0,0,0|2,0,0]=4 4534 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [1,1,0,0,0,0|2,0,0]=4 4535 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [1,1,0,0,0,0|2,0,0]=4 4536 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [1,1,0,0,0,0|2,0,0]=4 4537 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|2,0,0]=4 4538 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|1,0,0]=3 4539 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|1,0,0]=3 4540 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|1,0,0]=3 4541 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|1,0,0]=3 4542 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|1,0,0]=3 4543 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|1,0,0]=3 4544 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|1,0,0]=3 4545 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|1,0,0]=3 4546 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|1,0,0]=3 4547 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|1,0,0]=3 4548 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 4549 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 4550 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,1,0,0,0,0|2,0,0]=4 4551 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 4552 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 4553 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [1,1,0,0,0,0|2,0,0]=4 4554 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 4555 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 4556 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [1,1,0,0,0,0|2,0,0]=4 4557 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|2,0,0]=4 4558 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [1,1,0,0,0,0|2,0,0]=4 4559 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [1,1,0,0,0,0|2,0,0]=4 4560 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [1,1,0,0,0,0|2,0,0]=4 4561 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 4562 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [1,1,0,0,0,0|2,0,0]=4 4563 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [1,1,0,0,0,0|2,0,0]=4 4564 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,1,0,0,0,0|2,0,0]=4 4565 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,1,0,0,0,0|2,0,0]=4 4566 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [1,1,0,0,0,0|2,0,0]=4 4567 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [1,1,0,0,0,0|2,0,0]=4 4568 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [1,1,0,0,0,0|2,0,0]=4 4569 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [1,1,0,0,0,0|2,0,0]=4 4570 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 4571 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [1,1,0,0,0,0|2,0,0]=4 4572 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|2,0,0]=4 4573 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|1,0,0]=3 4574 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|1,0,0]=3 4575 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 4576 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 4577 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|1,0,0]=3 4578 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|1,0,0]=3 4579 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [1,1,0,0,0,0|2,0,0]=4 4580 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [1,1,0,0,0,0|2,0,0]=4 4581 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [1,1,0,0,0,0|2,0,0]=4 4582 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [1,1,0,0,0,0|2,0,0]=4 4583 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [1,1,0,0,0,0|2,0,0]=4 4584 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [1,1,0,0,0,0|2,0,0]=4 4585 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|1,0,0]=3 4586 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [1,1,0,0,0,0|2,0,0]=4 4587 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [1,1,0,0,0,0|2,0,0]=4 4588 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|1,0,0]=3 4589 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|1,0,0]=3 4590 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [1,1,0,0,0,0|2,0,0]=4 4591 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [1,1,0,0,0,0|2,0,0]=4 4592 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|1,0,0]=3 4593 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|1,0,0]=3 4594 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [1,1,0,0,0,0|2,0,0]=4 4595 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [1,1,0,0,0,0|2,0,0]=4 4596 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [1,1,0,0,0,0|2,0,0]=4 4597 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000211926_100000751577 [1,1,0,0,0,0|2,0,0]=4 4598 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000751577_100000211926 [1,1,0,0,0,0|2,0,0]=4 4599 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [1,1,0,0,0,0|2,0,0]=4 4600 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [1,1,0,0,0,0|2,0,0]=4 4601 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [1,1,0,0,0,0|2,0,0]=4 4602 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [1,1,0,0,0,0|2,0,0]=4 4603 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [1,1,0,0,0,0|2,0,0]=4 4604 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [1,1,0,0,0,0|2,0,0]=4 4605 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [1,1,0,0,0,0|2,0,0]=4 4606 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [1,1,0,0,0,0|2,0,0]=4 4607 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [1,1,0,0,0,0|2,0,0]=4 4608 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [1,1,0,0,0,0|2,0,0]=4 4609 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [1,1,0,0,0,0|2,0,0]=4 4610 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [1,1,0,0,0,0|2,0,0]=4 4611 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [1,1,0,0,0,0|2,0,0]=4 4612 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [1,1,0,0,0,0|2,0,0]=4 4613 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [1,1,0,0,0,0|2,0,0]=4 4614 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [1,1,0,0,0,0|2,0,0]=4 4615 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [1,1,0,0,0,0|2,0,0]=4 4616 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [1,1,0,0,0,0|2,0,0]=4 4617 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [1,1,0,0,0,0|2,0,0]=4 4618 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [1,1,0,0,0,0|2,0,0]=4 4619 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [1,1,0,0,0,0|2,0,0]=4 4620 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [1,1,0,0,0,0|2,0,0]=4 4621 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [1,1,0,0,0,0|2,0,0]=4 4622 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [1,1,0,0,0,0|2,0,0]=4 4623 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [1,1,0,0,0,0|2,0,0]=4 4624 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [1,1,0,0,0,0|2,0,0]=4 4625 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [1,1,0,0,0,0|2,0,0]=4 4626 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [1,1,0,0,0,0|2,0,0]=4 4627 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [1,1,0,0,0,0|2,0,0]=4 4628 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [1,1,0,0,0,0|2,0,0]=4 4629 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [1,1,0,0,0,0|2,0,0]=4 4630 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [1,1,0,0,0,0|2,0,0]=4 4631 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [1,1,0,0,0,0|2,0,0]=4 4632 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [1,1,0,0,0,0|2,0,0]=4 4633 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [1,1,0,0,0,0|2,0,0]=4 4634 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [1,1,0,0,0,0|2,0,0]=4 4635 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [1,1,0,0,0,0|2,0,0]=4 4636 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [1,1,0,0,0,0|2,0,0]=4 4637 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [1,1,0,0,0,0|2,0,0]=4 4638 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [1,1,0,0,0,0|2,0,0]=4 4639 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [1,1,0,0,0,0|2,0,0]=4 4640 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|1,0,1]=4 4641 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|1,0,0]=3 4642 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|2,0,0]=4 4643 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,1,0,0,0,0|2,0,0]=4 4644 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [1,1,0,0,0,0|2,0,0]=4 4645 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|2,0,0]=4 4646 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,0]=3 4647 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [1,1,0,0,0,0|2,0,0]=4 4648 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [1,1,0,0,0,0|2,0,0]=4 4649 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [1,1,0,0,0,0|1,0,0]=3 4650 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [1,1,0,0,0,0|1,0,0]=3 4651 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [1,1,0,0,0,0|2,0,0]=4 4652 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [1,1,0,0,0,0|2,0,0]=4 4653 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000187370_100000211926 [1,1,0,0,0,0|2,0,0]=4 4654 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000211926_100000187370 [1,1,0,0,0,0|2,0,0]=4 4655 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [1,1,0,0,0,0|2,0,0]=4 4656 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000211926_100000737798 [1,1,0,0,0,0|2,0,0]=4 4657 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000737798_100000211926 [1,1,0,0,0,0|2,0,0]=4 4658 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|0,0,2]=4 4659 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [1,1,0,0,0,0|2,0,0]=4 4660 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000211926_100000212171 [1,1,0,0,0,0|2,0,0]=4 4661 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000212171_100000211926 [1,1,0,0,0,0|2,0,0]=4 4662 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [1,1,0,0,0,0|0,0,2]=4 4663 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|0,0,0]=2 4664 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [1,1,0,0,0,0|1,0,0]=3 4665 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [1,1,0,0,0,0|1,0,0]=3 4666 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [1,1,0,0,0,0|1,0,0]=3 4667 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [1,1,0,0,0,0|1,0,0]=3 4668 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [1,1,0,0,0,0|1,0,0]=3 4669 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [1,1,0,0,0,0|1,0,0]=3 4670 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,0]=3 4671 B11R1.1 OCCNc1ccc(cn1)Br 27a_100000210304_100000686858 [1,1,0,0,0,0|2,0,0]=4 4672 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [1,1,0,0,0,0|1,0,0]=3 4673 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [1,1,0,0,0,0|1,0,0]=3 4674 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [1,1,0,0,0,0|1,0,0]=3 4675 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [1,1,0,0,0,0|1,0,0]=3 4676 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [1,1,0,0,0,0|1,0,0]=3 4677 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [1,1,0,0,0,0|1,0,0]=3 4678 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [1,1,0,0,0,0|1,0,0]=3 4679 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|1,0,0]=3 4680 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [1,1,0,0,0,0|2,0,0]=4 4681 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [1,1,0,0,0,0|2,0,0]=4 4682 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [1,1,0,0,0,0|2,0,0]=4 4683 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [1,1,0,0,0,0|2,0,0]=4 4684 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [1,1,0,0,0,0|2,0,0]=4 4685 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [1,1,0,0,0,0|2,0,0]=4 4686 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [1,1,0,0,0,0|2,0,0]=4 4687 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [1,1,0,0,0,0|2,0,0]=4 4688 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [1,1,0,0,0,0|2,0,0]=4 4689 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [1,1,0,0,0,0|2,0,0]=4 4690 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [1,1,0,0,0,0|2,0,0]=4 4691 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [1,1,0,0,0,0|1,0,0]=3 4692 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [1,1,0,0,0,0|1,0,0]=3 4693 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [1,1,0,0,0,0|1,0,0]=3 4694 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [1,1,0,0,0,0|1,0,0]=3 4695 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [1,1,0,0,0,0|1,0,0]=3 4696 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [1,1,0,0,0,0|1,0,0]=3 4697 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|1,0,0]=3 4698 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000211926_100000686858 [1,1,0,0,0,0|2,0,0]=4 4699 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000686858_100000211926 [1,1,0,0,0,0|2,0,0]=4 4700 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100000211926_100011356976 [1,1,0,0,0,0|2,0,0]=4 4701 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100011356976_100000211926 [1,1,0,0,0,0|2,0,0]=4 4702 B11R1.1 OCCSc1ccc(cn1)F 62a_100000211926_100000744514 [1,1,0,0,0,0|2,0,0]=4 4703 B11R1.1 OCCSc1ccc(cn1)F 62a_100000744514_100000211926 [1,1,0,0,0,0|2,0,0]=4 4704 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [1,1,0,0,0,0|2,0,0]=4 4705 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [1,1,0,0,0,0|2,0,0]=4 4706 B11R1.1 OCCSc1ccc(nc1)Br 62a_100000211926_100009814638 [1,1,0,0,0,0|2,0,0]=4 4707 B11R1.1 OCCSc1ccc(nc1)Br 62a_100009814638_100000211926 [1,1,0,0,0,0|2,0,0]=4 4708 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000034144_100000211926 [1,1,0,0,0,0|2,0,0]=4 4709 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000211926_100000034144 [1,1,0,0,0,0|2,0,0]=4 4710 B11R1.1 OCCSc1ccc(nc1)F 62a_100000042367_100000211926 [1,1,0,0,0,0|2,0,0]=4 4711 B11R1.1 OCCSc1ccc(nc1)F 62a_100000211926_100000042367 [1,1,0,0,0,0|2,0,0]=4 4712 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,1,0,0,0,0|2,0,0]=4 4713 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|2,0,0]=4 4714 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|2,0,0]=4 4715 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,1,0,0,0,0|2,0,0]=4 4716 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|1,0,0]=3 4717 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|1,0,0]=3 4718 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|1,0,0]=3 4719 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|1,0,0]=3 4720 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|1,0,0]=3 4721 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|1,0,0]=3 4722 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|1,0,0]=3 4723 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 4724 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 4725 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 4726 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 4727 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 4728 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 4729 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 4730 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 4731 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 4732 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,1,0,0,0,0|2,0,0]=4 4733 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 4734 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 4735 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|1,0,0]=3 4736 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|1,0,0]=3 4737 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|1,0,0]=3 4738 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|1,0,0]=3 4739 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|1,0,0]=3 4740 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|1,0,0]=3 4741 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|1,0,0]=3 4742 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|1,0,0]=3 4743 B11R1.1 [O-][n+]1ccc(cc1)SCCO 62a_100000211926_100000039755 [1,1,0,0,0,0|2,0,0]=4 4744 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|1,0,0]=3 4745 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|1,0,0]=3 4746 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 4747 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 4748 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|1,0,0]=3 4749 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|1,0,0]=3 4750 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [1,1,0,0,0,0|2,0,0]=4 4751 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [1,1,0,0,0,0|2,0,0]=4 4752 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|0,0,1]=3 4753 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|1,0,0]=3 4754 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|1,0,0]=3 4755 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|1,0,0]=3 4756 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|1,0,0]=3 4757 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|1,0,0]=3 4758 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|1,0,0]=3 4759 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|1,0,0]=3 4760 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|1,0,0]=3 4761 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|1,0,0]=3 4762 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 4763 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 4764 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 4765 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|1,0,0]=3 4766 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|1,0,0]=3 4767 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,1,0,0,0,0|2,0,0]=4 4768 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,1,0,0,0,0|2,0,0]=4 4769 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [1,1,0,0,0,0|2,0,0]=4 4770 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [1,1,0,0,0,0|2,0,0]=4 4771 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [1,1,0,0,0,0|2,0,0]=4 4772 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [1,1,0,0,0,0|2,0,0]=4 4773 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|1,0,0]=3 4774 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|1,0,0]=3 4775 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|1,0,0]=3 4776 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|1,0,0]=3 4777 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|1,0,0]=3 4778 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|1,0,0]=3 4779 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 4780 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 4781 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 4782 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 4783 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 4784 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 4785 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 4786 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 4787 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 4788 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,1,0,0,0,0|1,0,1]=4 4789 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|1,0,0]=3 4790 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|1,0,0]=3 4791 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|1,0,0]=3 4792 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|1,0,0]=3 4793 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|1,0,0]=3 4794 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|1,0,0]=3 4795 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|1,0,0]=3 4796 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|1,0,0]=3 4797 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|1,0,0]=3 4798 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|1,0,0]=3 4799 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,1,0,0,0,0|2,0,0]=4 4800 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,1,0,0,0,0|2,0,0]=4 4801 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|1,0,0]=3 4802 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|1,0,0]=3 4803 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|1,0,0]=3 4804 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 4805 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|1,0,0]=3 4806 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 4807 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|1,0,0]=3 4808 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 4809 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 4810 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 4811 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,1,0,0,0,0|2,0,0]=4 4812 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|1,0,0]=3 4813 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,1,0,0,0,0|1,0,1]=4 4814 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,1,0,0,0,0|1,0,1]=4 4815 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|1,0,0]=3 4816 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|1,0,0]=3 4817 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|1,0,0]=3 4818 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|1,0,0]=3 4819 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 4820 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 4821 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 4822 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,1,0,0,0,0|2,0,0]=4 4823 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|1,0,0]=3 4824 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|1,0,0]=3 4825 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,1,0,0,0,0|2,0,0]=4 4826 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,1,0,0,0,0|2,0,0]=4 4827 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,1,0,0,0,0|1,0,1]=4 4828 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|0,0,1]=3 4829 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 4830 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 4831 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 4832 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|1,0,0]=3 4833 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,1,0,0,0,0|2,0,0]=4 4834 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,1,0,0,0,0|2,0,0]=4 4835 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 4836 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,1,0,0,0,0|2,0,0]=4 4837 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,1,0,0,0,0|1,0,1]=4 4838 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,1,0,0,0,0|1,0,1]=4 4839 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|1,0,0]=3 4840 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|1,0,0]=3 4841 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,1,0,0,0,0|2,0,0]=4 4842 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|1,0,0]=3 4843 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|1,0,0]=3 4844 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [1,1,0,0,0,0|1,0,0]=3 4845 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [1,1,0,0,0,0|1,0,0]=3 4846 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,1,0,0,0,0|1,0,0]=3 4847 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [1,1,0,0,0,0|1,0,0]=3 4848 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [1,1,0,0,0,0|1,0,0]=3 4849 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|0,0,0]=2 4850 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|0,0,0]=2 4851 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|0,0,0]=2 4852 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|0,0,0]=2 4853 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|0,0,0]=2 4854 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|0,0,0]=2 4855 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [1,1,0,0,0,0|1,0,0]=3 4856 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|1,0,0]=3 4857 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [1,1,0,0,0,0|1,0,0]=3 4858 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [1,1,0,0,0,0|1,0,0]=3 4859 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [1,1,0,0,0,0|1,0,0]=3 4860 B11R1.17 CCCCc1ccn[nH]c1=O 271570a_100020621405_100000087129 [1,1,0,0,0,0|2,0,0]=4 4861 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [1,1,0,0,0,0|1,0,0]=3 4862 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [1,1,0,0,0,0|1,0,0]=3 4863 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [1,1,0,0,0,0|1,0,0]=3 4864 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [1,1,0,0,0,0|1,0,0]=3 4865 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [1,1,0,0,0,0|1,0,0]=3 4866 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [1,1,0,0,0,0|1,0,0]=3 4867 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [1,1,0,0,0,0|1,0,0]=3 4868 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [1,1,0,0,0,0|1,0,0]=3 4869 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [1,1,0,0,0,0|1,0,0]=3 4870 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [1,1,0,0,0,0|1,0,0]=3 4871 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [1,1,0,0,0,0|1,0,0]=3 4872 B11R1.17 CCCCc1cncnc1Br 271570a_100020621405_200012461658 [1,1,0,0,0,0|2,0,0]=4 4873 B11R1.17 CCCCc1cncnc1C 271570a_100020621405_100009819671 [1,1,0,0,0,0|2,0,0]=4 4874 B11R1.17 CCCCc1cncnc1Cl 271570a_100020621405_100000758962 [1,1,0,0,0,0|2,0,0]=4 4875 B11R1.17 CCCCc1cncnc1N 271570a_100020621405_100011996079 [1,1,0,0,0,0|2,0,0]=4 4876 B11R1.17 CCCCc1cncnc1O 271570a_100020621405_100000751107 [1,1,0,0,0,0|2,0,0]=4 4877 B11R1.17 CCCCc1cnncc1N 271570a_100020621405_100009829405 [1,1,0,0,0,0|2,0,0]=4 4878 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [1,1,0,0,0,0|2,0,0]=4 4879 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [1,1,0,0,0,0|1,0,0]=3 4880 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|1,0,0]=3 4881 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [1,1,0,0,0,0|1,0,0]=3 4882 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [1,1,0,0,0,0|1,0,0]=3 4883 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [1,1,0,0,0,0|1,0,0]=3 4884 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|1,0,0]=3 4885 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [1,1,0,0,0,0|2,0,0]=4 4886 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [1,1,0,0,0,0|2,0,0]=4 4887 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [1,1,0,0,0,0|2,0,0]=4 4888 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [1,1,0,0,0,0|2,0,0]=4 4889 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [1,1,0,0,0,0|2,0,0]=4 4890 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [1,1,0,0,0,0|2,0,0]=4 4891 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [1,1,0,0,0,0|2,0,0]=4 4892 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [1,1,0,0,0,0|2,0,0]=4 4893 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|1,0,0]=3 4894 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|1,0,0]=3 4895 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|1,0,0]=3 4896 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|1,0,0]=3 4897 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|1,0,0]=3 4898 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 4899 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [1,1,0,0,0,0|2,0,0]=4 4900 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|1,0,0]=3 4901 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|1,0,0]=3 4902 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|1,0,0]=3 4903 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|1,0,0]=3 4904 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|1,0,0]=3 4905 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|1,0,0]=3 4906 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|1,0,0]=3 4907 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|1,0,0]=3 4908 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 4909 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 4910 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 4911 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 4912 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|1,0,0]=3 4913 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 4914 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 4915 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [1,1,0,0,0,0|2,0,0]=4 4916 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [1,1,0,0,0,0|2,0,0]=4 4917 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 4918 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 4919 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 4920 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 4921 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 4922 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 4923 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 4924 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 4925 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [1,1,0,0,0,0|2,0,0]=4 4926 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [1,1,0,0,0,0|2,0,0]=4 4927 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [1,1,0,0,0,0|2,0,0]=4 4928 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [1,1,0,0,0,0|2,0,0]=4 4929 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [1,1,0,0,0,0|2,0,0]=4 4930 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [1,1,0,0,0,0|2,0,0]=4 4931 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [1,1,0,0,0,0|2,0,0]=4 4932 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [1,1,0,0,0,0|2,0,0]=4 4933 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [1,1,0,0,0,0|2,0,0]=4 4934 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [1,1,0,0,0,0|2,0,0]=4 4935 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [1,1,0,0,0,0|2,0,0]=4 4936 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [1,1,0,0,0,0|2,0,0]=4 4937 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [1,1,0,0,0,0|2,0,0]=4 4938 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [1,1,0,0,0,0|2,0,0]=4 4939 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [1,1,0,0,0,0|2,0,0]=4 4940 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [1,1,0,0,0,0|2,0,0]=4 4941 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [1,1,0,0,0,0|2,0,0]=4 4942 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [1,1,0,0,0,0|2,0,0]=4 4943 B11R1.17 CCCSc1c[nH]ccc1=S 62a_100000210303_200012280681 [1,1,0,0,0,0|2,0,0]=4 4944 B11R1.17 CCCSc1c[nH]ccc1=S 62a_200012280681_100000210303 [1,1,0,0,0,0|2,0,0]=4 4945 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [1,1,0,0,0,0|2,0,0]=4 4946 B11R1.17 CCCSc1cccc[n+]1[O-] 62a_100000210303_200000042595 [1,1,0,0,0,0|2,0,0]=4 4947 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|1,0,0]=3 4948 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|1,0,0]=3 4949 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|1,0,0]=3 4950 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|1,0,0]=3 4951 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|1,0,0]=3 4952 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|1,0,0]=3 4953 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|1,0,0]=3 4954 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|1,0,0]=3 4955 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|1,0,0]=3 4956 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|1,0,0]=3 4957 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|1,0,0]=3 4958 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 4959 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [1,1,0,0,0,0|2,0,0]=4 4960 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [1,1,0,0,0,0|2,0,0]=4 4961 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [1,1,0,0,0,0|2,0,0]=4 4962 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [1,1,0,0,0,0|2,0,0]=4 4963 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [1,1,0,0,0,0|2,0,0]=4 4964 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [1,1,0,0,0,0|2,0,0]=4 4965 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [1,1,0,0,0,0|2,0,0]=4 4966 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [1,1,0,0,0,0|2,0,0]=4 4967 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [1,1,0,0,0,0|2,0,0]=4 4968 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [1,1,0,0,0,0|2,0,0]=4 4969 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [1,1,0,0,0,0|2,0,0]=4 4970 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [1,1,0,0,0,0|2,0,0]=4 4971 B11R1.17 CCCSc1ccncc1Br 62a_100000210303_100000726257 [1,1,0,0,0,0|2,0,0]=4 4972 B11R1.17 CCCSc1ccncc1Br 62a_100000726257_100000210303 [1,1,0,0,0,0|2,0,0]=4 4973 B11R1.17 CCCSc1ccncc1C 62a_100000210303_100000765111 [1,1,0,0,0,0|2,0,0]=4 4974 B11R1.17 CCCSc1ccncc1C 62a_100000765111_100000210303 [1,1,0,0,0,0|2,0,0]=4 4975 B11R1.17 CCCSc1ccncc1Cl 62a_100000210303_100000708259 [1,1,0,0,0,0|2,0,0]=4 4976 B11R1.17 CCCSc1ccncc1Cl 62a_100000708259_100000210303 [1,1,0,0,0,0|2,0,0]=4 4977 B11R1.17 CCCSc1ccncc1F 62a_100000047030_100000210303 [1,1,0,0,0,0|2,0,0]=4 4978 B11R1.17 CCCSc1ccncc1F 62a_100000210303_100000047030 [1,1,0,0,0,0|2,0,0]=4 4979 B11R1.17 CCCSc1ccncc1N 62a_100000210303_100000756074 [1,1,0,0,0,0|2,0,0]=4 4980 B11R1.17 CCCSc1ccncc1N 62a_100000756074_100000210303 [1,1,0,0,0,0|2,0,0]=4 4981 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [1,1,0,0,0,0|2,0,0]=4 4982 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [1,1,0,0,0,0|2,0,0]=4 4983 B11R1.17 CCCSc1cnccc1Br 62a_100000210303_100010138639 [1,1,0,0,0,0|2,0,0]=4 4984 B11R1.17 CCCSc1cnccc1Br 62a_100010138639_100000210303 [1,1,0,0,0,0|2,0,0]=4 4985 B11R1.17 CCCSc1cnccc1C 62a_100000210303_100000761580 [1,1,0,0,0,0|2,0,0]=4 4986 B11R1.17 CCCSc1cnccc1C 62a_100000761580_100000210303 [1,1,0,0,0,0|2,0,0]=4 4987 B11R1.17 CCCSc1cnccc1Cl 62a_100000210303_100009995489 [1,1,0,0,0,0|2,0,0]=4 4988 B11R1.17 CCCSc1cnccc1Cl 62a_100009995489_100000210303 [1,1,0,0,0,0|2,0,0]=4 4989 B11R1.17 CCCSc1cnccc1F 62a_100000210303_100009820683 [1,1,0,0,0,0|2,0,0]=4 4990 B11R1.17 CCCSc1cnccc1F 62a_100009820683_100000210303 [1,1,0,0,0,0|2,0,0]=4 4991 B11R1.17 CCCSc1cnccc1N 62a_100000047001_100000210303 [1,1,0,0,0,0|2,0,0]=4 4992 B11R1.17 CCCSc1cnccc1N 62a_100000210303_100000047001 [1,1,0,0,0,0|2,0,0]=4 4993 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [1,1,0,0,0,0|2,0,0]=4 4994 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [1,1,0,0,0,0|2,0,0]=4 4995 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [1,1,0,0,0,0|2,0,0]=4 4996 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [1,1,0,0,0,0|2,0,0]=4 4997 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [1,1,0,0,0,0|2,0,0]=4 4998 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [1,1,0,0,0,0|2,0,0]=4 4999 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [1,1,0,0,0,0|2,0,0]=4 5000 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [1,1,0,0,0,0|2,0,0]=4 5001 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [1,1,0,0,0,0|2,0,0]=4 5002 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [1,1,0,0,0,0|2,0,0]=4 5003 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 5004 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [1,1,0,0,0,0|2,0,0]=4 5005 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|1,0,0]=3 5006 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|1,0,0]=3 5007 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|1,0,0]=3 5008 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|1,0,0]=3 5009 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|1,0,0]=3 5010 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|1,0,0]=3 5011 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|1,0,0]=3 5012 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|1,0,0]=3 5013 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|1,0,0]=3 5014 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|1,0,0]=3 5015 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|1,0,0]=3 5016 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|1,0,0]=3 5017 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|1,0,0]=3 5018 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|1,0,0]=3 5019 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|1,0,0]=3 5020 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|1,0,0]=3 5021 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|1,0,0]=3 5022 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|1,0,0]=3 5023 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|1,0,0]=3 5024 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|1,0,0]=3 5025 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|1,0,0]=3 5026 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|1,0,0]=3 5027 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [1,1,0,0,0,0|2,0,0]=4 5028 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [1,1,0,0,0,0|2,0,0]=4 5029 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [1,1,0,0,0,0|2,0,0]=4 5030 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [1,1,0,0,0,0|2,0,0]=4 5031 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [1,1,0,0,0,0|2,0,0]=4 5032 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [1,1,0,0,0,0|2,0,0]=4 5033 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [1,1,0,0,0,0|2,0,0]=4 5034 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [1,1,0,0,0,0|2,0,0]=4 5035 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [1,1,0,0,0,0|2,0,0]=4 5036 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [1,1,0,0,0,0|2,0,0]=4 5037 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [1,1,0,0,0,0|2,0,0]=4 5038 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [1,1,0,0,0,0|2,0,0]=4 5039 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [1,1,0,0,0,0|2,0,0]=4 5040 B11R1.17 CCNCc1ccncc1Br 270004a_100015525214_100000755692 [1,1,0,0,0,0|2,0,0]=4 5041 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [1,1,0,0,0,0|2,0,0]=4 5042 B11R1.17 CCNCc1ccncc1Cl 207a_100015525214_100011934409 [1,1,0,0,0,0|2,0,0]=4 5043 B11R1.17 CCNCc1ccncc1Cl 2230a_100015525214_100000763264 [1,1,0,0,0,0|2,0,0]=4 5044 B11R1.17 CCNCc1ccncc1Cl 270004a_100015525214_100011934409 [1,1,0,0,0,0|2,0,0]=4 5045 B11R1.17 CCNCc1ccncc1F 34a_100011935246_100000210202 [1,1,0,0,0,0|2,0,0]=4 5046 B11R1.17 CCNCc1cnccc1Br 270004a_100015525214_100009816821 [1,1,0,0,0,0|2,0,0]=4 5047 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [1,1,0,0,0,0|2,0,0]=4 5048 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [1,1,0,0,0,0|2,0,0]=4 5049 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [1,1,0,0,0,0|2,0,0]=4 5050 B11R1.17 CCNCc1cnccc1Cl 270004a_100015525214_100000050567 [1,1,0,0,0,0|2,0,0]=4 5051 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [1,1,0,0,0,0|2,0,0]=4 5052 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [1,1,0,0,0,0|2,0,0]=4 5053 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [1,1,0,0,0,0|2,0,0]=4 5054 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [1,1,0,0,0,0|2,0,0]=4 5055 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [1,1,0,0,0,0|2,0,0]=4 5056 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [1,1,0,0,0,0|2,0,0]=4 5057 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [1,1,0,0,0,0|2,0,0]=4 5058 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [1,1,0,0,0,0|2,0,0]=4 5059 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [1,1,0,0,0,0|2,0,0]=4 5060 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [1,1,0,0,0,0|2,0,0]=4 5061 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [1,1,0,0,0,0|2,0,0]=4 5062 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [1,1,0,0,0,0|2,0,0]=4 5063 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [1,1,0,0,0,0|2,0,0]=4 5064 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [1,1,0,0,0,0|2,0,0]=4 5065 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [1,1,0,0,0,0|2,0,0]=4 5066 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|1,0,0]=3 5067 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|1,0,0]=3 5068 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|1,0,0]=3 5069 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|1,0,0]=3 5070 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|1,0,0]=3 5071 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|1,0,0]=3 5072 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|1,0,0]=3 5073 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|1,0,0]=3 5074 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|1,0,0]=3 5075 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|1,0,0]=3 5076 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|1,0,0]=3 5077 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|1,0,0]=3 5078 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|1,0,0]=3 5079 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|1,0,0]=3 5080 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|1,0,0]=3 5081 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|1,0,0]=3 5082 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|1,0,0]=3 5083 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [1,1,0,0,0,0|2,0,0]=4 5084 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [1,1,0,0,0,0|2,0,0]=4 5085 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [1,1,0,0,0,0|2,0,0]=4 5086 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [1,1,0,0,0,0|2,0,0]=4 5087 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [1,1,0,0,0,0|2,0,0]=4 5088 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [1,1,0,0,0,0|2,0,0]=4 5089 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 5090 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [1,1,0,0,0,0|2,0,0]=4 5091 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 5092 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [1,1,0,0,0,0|2,0,0]=4 5093 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [1,1,0,0,0,0|2,0,0]=4 5094 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [1,1,0,0,0,0|2,0,0]=4 5095 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [1,1,0,0,0,0|2,0,0]=4 5096 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [1,1,0,0,0,0|2,0,0]=4 5097 B11R1.17 CCOCc1ccncc1F 34a_100012172863_100000210202 [1,1,0,0,0,0|2,0,0]=4 5098 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [1,1,0,0,0,0|2,0,0]=4 5099 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [1,1,0,0,0,0|2,0,0]=4 5100 B11R1.17 CCOCc1cnccc1Cl 34a_100000117392_100000210202 [1,1,0,0,0,0|2,0,0]=4 5101 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [1,1,0,0,0,0|2,0,0]=4 5102 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [1,1,0,0,0,0|2,0,0]=4 5103 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [1,1,0,0,0,0|2,0,0]=4 5104 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [1,1,0,0,0,0|2,0,0]=4 5105 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [1,1,0,0,0,0|2,0,0]=4 5106 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [1,1,0,0,0,0|2,0,0]=4 5107 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [1,1,0,0,0,0|2,0,0]=4 5108 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [1,1,0,0,0,0|2,0,0]=4 5109 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [1,1,0,0,0,0|2,0,0]=4 5110 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|1,0,0]=3 5111 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|1,0,0]=3 5112 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|1,0,0]=3 5113 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|1,0,0]=3 5114 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|1,0,0]=3 5115 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|1,0,0]=3 5116 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|1,0,0]=3 5117 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|1,0,0]=3 5118 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|1,0,0]=3 5119 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|1,0,0]=3 5120 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|1,0,0]=3 5121 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [1,1,0,0,0,0|2,0,0]=4 5122 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [1,1,0,0,0,0|2,0,0]=4 5123 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [1,1,0,0,0,0|2,0,0]=4 5124 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [1,1,0,0,0,0|2,0,0]=4 5125 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [1,1,0,0,0,0|2,0,0]=4 5126 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [1,1,0,0,0,0|2,0,0]=4 5127 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [1,1,0,0,0,0|2,0,0]=4 5128 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [1,1,0,0,0,0|2,0,0]=4 5129 B11R1.17 CCSCc1ccncc1C 62a_100000210202_100020672808 [1,1,0,0,0,0|2,0,0]=4 5130 B11R1.17 CCSCc1ccncc1C 62a_100020672808_100000210202 [1,1,0,0,0,0|2,0,0]=4 5131 B11R1.17 CCSCc1ccncc1Cl 62a_100000210202_100000763264 [1,1,0,0,0,0|2,0,0]=4 5132 B11R1.17 CCSCc1ccncc1Cl 62a_100000763264_100000210202 [1,1,0,0,0,0|2,0,0]=4 5133 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [1,1,0,0,0,0|2,0,0]=4 5134 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [1,1,0,0,0,0|2,0,0]=4 5135 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [1,1,0,0,0,0|2,0,0]=4 5136 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [1,1,0,0,0,0|2,0,0]=4 5137 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [1,1,0,0,0,0|2,0,0]=4 5138 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [1,1,0,0,0,0|2,0,0]=4 5139 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [1,1,0,0,0,0|2,0,0]=4 5140 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [1,1,0,0,0,0|2,0,0]=4 5141 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [1,1,0,0,0,0|2,0,0]=4 5142 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [1,1,0,0,0,0|2,0,0]=4 5143 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [1,1,0,0,0,0|2,0,0]=4 5144 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [1,1,0,0,0,0|2,0,0]=4 5145 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|1,0,0]=3 5146 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|1,0,0]=3 5147 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|1,0,0]=3 5148 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|1,0,0]=3 5149 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|1,0,0]=3 5150 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|1,0,0]=3 5151 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|1,0,0]=3 5152 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|1,0,0]=3 5153 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|1,0,0]=3 5154 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|1,0,0]=3 5155 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|1,0,0]=3 5156 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|1,0,0]=3 5157 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|1,0,0]=3 5158 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|1,0,0]=3 5159 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|1,0,0]=3 5160 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|1,0,0]=3 5161 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|1,0,0]=3 5162 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|1,0,0]=3 5163 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|1,0,0]=3 5164 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|1,0,0]=3 5165 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|1,0,0]=3 5166 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|1,0,0]=3 5167 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|1,0,0]=3 5168 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|1,0,0]=3 5169 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [1,1,0,0,0,0|2,0,0]=4 5170 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|1,0,0]=3 5171 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|1,0,0]=3 5172 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|1,0,0]=3 5173 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 5174 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|1,0,0]=3 5175 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 5176 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|1,0,0]=3 5177 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|1,0,0]=3 5178 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|1,0,0]=3 5179 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|1,0,0]=3 5180 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|1,0,0]=3 5181 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|1,0,0]=3 5182 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|1,0,0]=3 5183 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|1,0,0]=3 5184 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|1,0,0]=3 5185 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|1,0,0]=3 5186 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 5187 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 5188 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|2,0,0]=4 5189 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [1,1,0,0,0,0|2,0,0]=4 5190 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [1,1,0,0,0,0|2,0,0]=4 5191 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [1,1,0,0,0,0|2,0,0]=4 5192 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [1,1,0,0,0,0|2,0,0]=4 5193 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [1,1,0,0,0,0|2,0,0]=4 5194 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [1,1,0,0,0,0|2,0,0]=4 5195 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [1,1,0,0,0,0|2,0,0]=4 5196 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [1,1,0,0,0,0|2,0,0]=4 5197 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [1,1,0,0,0,0|2,0,0]=4 5198 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [1,1,0,0,0,0|2,0,0]=4 5199 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [1,1,0,0,0,0|2,0,0]=4 5200 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [1,1,0,0,0,0|2,0,0]=4 5201 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|1,0,0]=3 5202 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|1,0,0]=3 5203 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|1,0,0]=3 5204 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|1,0,0]=3 5205 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|1,0,0]=3 5206 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|1,0,0]=3 5207 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|1,0,0]=3 5208 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|1,0,0]=3 5209 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|1,0,0]=3 5210 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|1,0,0]=3 5211 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [1,1,0,0,0,0|2,0,0]=4 5212 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [1,1,0,0,0,0|2,0,0]=4 5213 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [1,1,0,0,0,0|2,0,0]=4 5214 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [1,1,0,0,0,0|2,0,0]=4 5215 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [1,1,0,0,0,0|2,0,0]=4 5216 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 5217 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [1,1,0,0,0,0|2,0,0]=4 5218 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [1,1,0,0,0,0|2,0,0]=4 5219 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [1,1,0,0,0,0|2,0,0]=4 5220 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [1,1,0,0,0,0|2,0,0]=4 5221 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 5222 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 5223 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [1,1,0,0,0,0|2,0,0]=4 5224 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [1,1,0,0,0,0|2,0,0]=4 5225 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [1,1,0,0,0,0|2,0,0]=4 5226 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [1,1,0,0,0,0|2,0,0]=4 5227 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [1,1,0,0,0,0|2,0,0]=4 5228 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [1,1,0,0,0,0|2,0,0]=4 5229 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [1,1,0,0,0,0|2,0,0]=4 5230 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [1,1,0,0,0,0|2,0,0]=4 5231 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [1,1,0,0,0,0|2,0,0]=4 5232 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [1,1,0,0,0,0|2,0,0]=4 5233 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 5234 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [1,1,0,0,0,0|2,0,0]=4 5235 B11R1.17 C[n+]1ccccc1SCCO 62a_100000211926_100000212160 [1,1,0,0,0,0|2,0,0]=4 5236 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|1,0,0]=3 5237 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|1,0,0]=3 5238 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 5239 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 5240 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|1,0,0]=3 5241 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|1,0,0]=3 5242 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [1,1,0,0,0,0|2,0,0]=4 5243 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [1,1,0,0,0,0|2,0,0]=4 5244 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [1,1,0,0,0,0|2,0,0]=4 5245 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [1,1,0,0,0,0|2,0,0]=4 5246 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [1,1,0,0,0,0|2,0,0]=4 5247 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [1,1,0,0,0,0|2,0,0]=4 5248 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,1,0,0,0,0|1,0,0]=3 5249 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [1,1,0,0,0,0|2,0,0]=4 5250 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [1,1,0,0,0,0|2,0,0]=4 5251 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,1,0,0,0,0|1,0,0]=3 5252 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,1,0,0,0,0|1,0,0]=3 5253 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [1,1,0,0,0,0|2,0,0]=4 5254 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [1,1,0,0,0,0|2,0,0]=4 5255 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [1,1,0,0,0,0|1,0,0]=3 5256 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [1,1,0,0,0,0|1,0,0]=3 5257 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 5258 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 5259 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [1,1,0,0,0,0|2,0,0]=4 5260 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [1,1,0,0,0,0|2,0,0]=4 5261 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [1,1,0,0,0,0|2,0,0]=4 5262 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [1,1,0,0,0,0|2,0,0]=4 5263 B11R1.17 Cc1ccncc1SCCO 62a_100000211926_100000761580 [1,1,0,0,0,0|2,0,0]=4 5264 B11R1.17 Cc1ccncc1SCCO 62a_100000761580_100000211926 [1,1,0,0,0,0|2,0,0]=4 5265 B11R1.17 Cc1cnccc1NCCO 27a_100000210304_100000765111 [1,1,0,0,0,0|2,0,0]=4 5266 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [1,1,0,0,0,0|2,0,0]=4 5267 B11R1.17 Cc1cnccc1SCCO 62a_100000211926_100000765111 [1,1,0,0,0,0|2,0,0]=4 5268 B11R1.17 Cc1cnccc1SCCO 62a_100000765111_100000211926 [1,1,0,0,0,0|2,0,0]=4 5269 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [1,1,0,0,0,0|2,0,0]=4 5270 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [1,1,0,0,0,0|2,0,0]=4 5271 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [1,1,0,0,0,0|2,0,0]=4 5272 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [1,1,0,0,0,0|2,0,0]=4 5273 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 5274 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [1,1,0,0,0,0|2,0,0]=4 5275 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [1,1,0,0,0,0|2,0,0]=4 5276 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [1,1,0,0,0,0|2,0,0]=4 5277 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [1,1,0,0,0,0|2,0,0]=4 5278 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [1,1,0,0,0,0|2,0,0]=4 5279 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [1,1,0,0,0,0|2,0,0]=4 5280 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [1,1,0,0,0,0|2,0,0]=4 5281 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [1,1,0,0,0,0|2,0,0]=4 5282 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [1,1,0,0,0,0|2,0,0]=4 5283 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 5284 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 5285 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [1,1,0,0,0,0|2,0,0]=4 5286 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [1,1,0,0,0,0|2,0,0]=4 5287 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [1,1,0,0,0,0|2,0,0]=4 5288 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [1,1,0,0,0,0|2,0,0]=4 5289 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [1,1,0,0,0,0|2,0,0]=4 5290 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [1,1,0,0,0,0|2,0,0]=4 5291 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [1,1,0,0,0,0|2,0,0]=4 5292 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [1,1,0,0,0,0|2,0,0]=4 5293 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [1,1,0,0,0,0|2,0,0]=4 5294 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [1,1,0,0,0,0|2,0,0]=4 5295 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [1,1,0,0,0,0|2,0,0]=4 5296 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [1,1,0,0,0,0|2,0,0]=4 5297 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [1,1,0,0,0,0|2,0,0]=4 5298 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [1,1,0,0,0,0|2,0,0]=4 5299 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [1,1,0,0,0,0|2,0,0]=4 5300 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [1,1,0,0,0,0|2,0,0]=4 5301 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [1,1,0,0,0,0|2,0,0]=4 5302 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [1,1,0,0,0,0|2,0,0]=4 5303 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [1,1,0,0,0,0|2,0,0]=4 5304 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [1,1,0,0,0,0|2,0,0]=4 5305 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [1,1,0,0,0,0|2,0,0]=4 5306 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [1,1,0,0,0,0|2,0,0]=4 5307 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [1,1,0,0,0,0|2,0,0]=4 5308 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [1,1,0,0,0,0|2,0,0]=4 5309 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [1,1,0,0,0,0|2,0,0]=4 5310 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [1,1,0,0,0,0|2,0,0]=4 5311 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [1,1,0,0,0,0|2,0,0]=4 5312 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 5313 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 5314 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [1,1,0,0,0,0|1,0,0]=3 5315 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [1,1,0,0,0,0|1,0,0]=3 5316 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 5317 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [1,1,0,0,0,0|2,0,0]=4 5318 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [1,1,0,0,0,0|1,0,0]=3 5319 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [1,1,0,0,0,0|1,0,0]=3 5320 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [1,1,0,0,0,0|2,0,0]=4 5321 B11R1.17 Nc1cccnc1SCCO 62a_100000211926_100000688686 [1,1,0,0,0,0|2,0,0]=4 5322 B11R1.17 Nc1cccnc1SCCO 62a_100000688686_100000211926 [1,1,0,0,0,0|2,0,0]=4 5323 B11R1.17 Nc1ccncc1OCCO 34a_100000753702_100000211926 [1,1,0,0,0,0|2,0,0]=4 5324 B11R1.17 Nc1ccncc1SCCO 62a_100000047001_100000211926 [1,1,0,0,0,0|2,0,0]=4 5325 B11R1.17 Nc1ccncc1SCCO 62a_100000211926_100000047001 [1,1,0,0,0,0|2,0,0]=4 5326 B11R1.17 Nc1cnccc1SCCO 62a_100000211926_100000756074 [1,1,0,0,0,0|2,0,0]=4 5327 B11R1.17 Nc1cnccc1SCCO 62a_100000756074_100000211926 [1,1,0,0,0,0|2,0,0]=4 5328 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [1,1,0,0,0,0|2,0,0]=4 5329 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [1,1,0,0,0,0|2,0,0]=4 5330 B11R1.17 Nc1ncccc1SCCO 62a_100000045569_100000211926 [1,1,0,0,0,0|2,0,0]=4 5331 B11R1.17 Nc1ncccc1SCCO 62a_100000211926_100000045569 [1,1,0,0,0,0|2,0,0]=4 5332 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|0,0,2]=4 5333 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100000211926_100009998708 [1,1,0,0,0,0|2,0,0]=4 5334 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100009998708_100000211926 [1,1,0,0,0,0|2,0,0]=4 5335 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [1,1,0,0,0,0|2,0,0]=4 5336 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [1,1,0,0,0,0|2,0,0]=4 5337 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [1,1,0,0,0,0|2,0,0]=4 5338 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,1,0,0,0,0|0,0,2]=4 5339 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|0,0,0]=2 5340 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [1,1,0,0,0,0|1,0,0]=3 5341 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [1,1,0,0,0,0|1,0,0]=3 5342 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,1,0,0,0,0|1,0,0]=3 5343 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [1,1,0,0,0,0|1,0,0]=3 5344 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|1,0,0]=3 5345 B11R1.17 OCCNc1ccncc1Br 27a_100000210304_100000726257 [1,1,0,0,0,0|2,0,0]=4 5346 B11R1.17 OCCNc1ccncc1F 27a_100000210304_100000035921 [1,1,0,0,0,0|2,0,0]=4 5347 B11R1.17 OCCNc1ncccc1Br 27a_100000210304_100000696092 [1,1,0,0,0,0|2,0,0]=4 5348 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [1,1,0,0,0,0|2,0,0]=4 5349 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [1,1,0,0,0,0|1,0,0]=3 5350 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [1,1,0,0,0,0|1,0,0]=3 5351 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [1,1,0,0,0,0|1,0,0]=3 5352 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [1,1,0,0,0,0|1,0,0]=3 5353 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [1,1,0,0,0,0|1,0,0]=3 5354 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [1,1,0,0,0,0|1,0,0]=3 5355 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [1,1,0,0,0,0|1,0,0]=3 5356 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [1,1,0,0,0,0|1,0,0]=3 5357 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|1,0,0]=3 5358 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [1,1,0,0,0,0|2,0,0]=4 5359 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [1,1,0,0,0,0|2,0,0]=4 5360 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [1,1,0,0,0,0|2,0,0]=4 5361 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [1,1,0,0,0,0|2,0,0]=4 5362 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [1,1,0,0,0,0|2,0,0]=4 5363 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [1,1,0,0,0,0|2,0,0]=4 5364 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 5365 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 5366 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [1,1,0,0,0,0|2,0,0]=4 5367 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [1,1,0,0,0,0|2,0,0]=4 5368 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [1,1,0,0,0,0|2,0,0]=4 5369 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [1,1,0,0,0,0|2,0,0]=4 5370 B11R1.17 OCCOc1cnccc1I 34a_100000050107_100000211926 [1,1,0,0,0,0|2,0,0]=4 5371 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [1,1,0,0,0,0|2,0,0]=4 5372 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [1,1,0,0,0,0|2,0,0]=4 5373 B11R1.17 OCCSc1c[nH]ccc1=S 62a_100000211926_200012280681 [1,1,0,0,0,0|2,0,0]=4 5374 B11R1.17 OCCSc1c[nH]ccc1=S 62a_200012280681_100000211926 [1,1,0,0,0,0|2,0,0]=4 5375 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [1,1,0,0,0,0|1,0,0]=3 5376 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [1,1,0,0,0,0|1,0,0]=3 5377 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [1,1,0,0,0,0|1,0,0]=3 5378 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [1,1,0,0,0,0|1,0,0]=3 5379 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [1,1,0,0,0,0|1,0,0]=3 5380 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [1,1,0,0,0,0|1,0,0]=3 5381 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|1,0,0]=3 5382 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|1,0,0]=3 5383 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|1,0,0]=3 5384 B11R1.17 OCCSc1cccnc1Br 62a_100000211926_100010202626 [1,1,0,0,0,0|2,0,0]=4 5385 B11R1.17 OCCSc1cccnc1Br 62a_100010202626_100000211926 [1,1,0,0,0,0|2,0,0]=4 5386 B11R1.17 OCCSc1cccnc1Cl 62a_100000036424_100000211926 [1,1,0,0,0,0|2,0,0]=4 5387 B11R1.17 OCCSc1cccnc1Cl 62a_100000211926_100000036424 [1,1,0,0,0,0|2,0,0]=4 5388 B11R1.17 OCCSc1cccnc1F 62a_100000211926_100009816115 [1,1,0,0,0,0|2,0,0]=4 5389 B11R1.17 OCCSc1cccnc1F 62a_100009816115_100000211926 [1,1,0,0,0,0|2,0,0]=4 5390 B11R1.17 OCCSc1cccnc1O 62a_100000211926_100000760158 [1,1,0,0,0,0|2,0,0]=4 5391 B11R1.17 OCCSc1cccnc1O 62a_100000760158_100000211926 [1,1,0,0,0,0|2,0,0]=4 5392 B11R1.17 OCCSc1ccncc1Br 62a_100000211926_100000726257 [1,1,0,0,0,0|2,0,0]=4 5393 B11R1.17 OCCSc1ccncc1Br 62a_100000726257_100000211926 [1,1,0,0,0,0|2,0,0]=4 5394 B11R1.17 OCCSc1ccncc1Cl 62a_100000211926_100000708259 [1,1,0,0,0,0|2,0,0]=4 5395 B11R1.17 OCCSc1ccncc1Cl 62a_100000708259_100000211926 [1,1,0,0,0,0|2,0,0]=4 5396 B11R1.17 OCCSc1ccncc1F 62a_100000047030_100000211926 [1,1,0,0,0,0|2,0,0]=4 5397 B11R1.17 OCCSc1ccncc1F 62a_100000211926_100000047030 [1,1,0,0,0,0|2,0,0]=4 5398 B11R1.17 OCCSc1ccncc1O 62a_100000211926_100009817591 [1,1,0,0,0,0|2,0,0]=4 5399 B11R1.17 OCCSc1ccncc1O 62a_100009817591_100000211926 [1,1,0,0,0,0|2,0,0]=4 5400 B11R1.17 OCCSc1cnccc1Br 62a_100000211926_100010138639 [1,1,0,0,0,0|2,0,0]=4 5401 B11R1.17 OCCSc1cnccc1Br 62a_100010138639_100000211926 [1,1,0,0,0,0|2,0,0]=4 5402 B11R1.17 OCCSc1cnccc1Cl 62a_100000211926_100009995489 [1,1,0,0,0,0|2,0,0]=4 5403 B11R1.17 OCCSc1cnccc1Cl 62a_100009995489_100000211926 [1,1,0,0,0,0|2,0,0]=4 5404 B11R1.17 OCCSc1cnccc1F 62a_100000211926_100009820683 [1,1,0,0,0,0|2,0,0]=4 5405 B11R1.17 OCCSc1cnccc1F 62a_100009820683_100000211926 [1,1,0,0,0,0|2,0,0]=4 5406 B11R1.17 OCCSc1ncccc1Br 62a_100000211926_100000696092 [1,1,0,0,0,0|2,0,0]=4 5407 B11R1.17 OCCSc1ncccc1Br 62a_100000696092_100000211926 [1,1,0,0,0,0|2,0,0]=4 5408 B11R1.17 OCCSc1ncccc1Cl 62a_100000211926_100011356963 [1,1,0,0,0,0|2,0,0]=4 5409 B11R1.17 OCCSc1ncccc1Cl 62a_100011356963_100000211926 [1,1,0,0,0,0|2,0,0]=4 5410 B11R1.17 OCCSc1ncccc1F 62a_100000211926_100000685392 [1,1,0,0,0,0|2,0,0]=4 5411 B11R1.17 OCCSc1ncccc1F 62a_100000685392_100000211926 [1,1,0,0,0,0|2,0,0]=4 5412 B11R1.17 OCCSc1ncccc1O 62a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 5413 B11R1.17 OCCSc1ncccc1O 62a_100000211926_100000034122 [1,1,0,0,0,0|2,0,0]=4 5414 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [1,1,0,0,0,0|2,0,0]=4 5415 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 5416 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 5417 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [1,1,0,0,0,0|2,0,0]=4 5418 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|1,0,0]=3 5419 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|1,0,0]=3 5420 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|1,0,0]=3 5421 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|1,0,0]=3 5422 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|1,0,0]=3 5423 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|1,0,0]=3 5424 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|1,0,0]=3 5425 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [1,1,0,0,0,0|2,0,0]=4 5426 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|1,0,0]=3 5427 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|1,0,0]=3 5428 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|1,0,0]=3 5429 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|1,0,0]=3 5430 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|1,0,0]=3 5431 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|1,0,0]=3 5432 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|1,0,0]=3 5433 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|1,0,0]=3 5434 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|1,0,0]=3 5435 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|1,0,0]=3 5436 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|1,0,0]=3 5437 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|1,0,0]=3 5438 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|1,0,0]=3 5439 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|1,0,0]=3 5440 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|1,0,0]=3 5441 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|1,0,0]=3 5442 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|1,0,0]=3 5443 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [1,1,0,0,0,0|2,0,0]=4 5444 B11R1.17 [O-][n+]1ccccc1SCCO 62a_100000211926_200000042595 [1,1,0,0,0,0|2,0,0]=4 5445 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [1,1,0,0,0,0|2,0,0]=4 5446 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,1,0,0,0,0|1,0,0]=3 5447 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,1,0,0,0,0|1,0,0]=3 5448 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,1,0,0,0,0|1,0,0]=3 5449 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,1,0,0,0,0|1,0,0]=3 5450 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,1,0,0,0,0|1,0,0]=3 5451 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [1,1,0,0,0,0|2,0,0]=4 5452 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [1,1,0,0,0,0|2,0,0]=4 5453 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [1,1,0,0,0,0|2,0,0]=4 5454 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [1,1,0,0,0,0|2,0,0]=4 5455 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [1,1,0,0,0,0|2,0,0]=4 5456 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [1,1,0,0,0,0|2,0,0]=4 5457 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|1,0,0]=3 5458 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [1,1,0,0,0,0|2,0,0]=4 5459 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,1,0,0,0,0|1,0,0]=3 5460 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,1,0,0,0,0|1,0,0]=3 5461 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|1,0,0]=3 5462 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|0,0,0]=2 5463 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|0,0,0]=2 5464 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|0,0,0]=2 5465 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|0,0,0]=2 5466 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|0,0,0]=2 5467 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|0,0,0]=2 5468 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|0,0,0]=2 5469 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|0,0,0]=2 5470 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,1,0,0,0,0|1,0,0]=3 5471 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,1,0,0,0,0|1,0,0]=3 5472 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,1,0,0,0,0|1,0,0]=3 5473 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,1,0,0,0,0|1,0,0]=3 5474 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,1,0,0,0,0|1,0,0]=3 5475 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,1,0,0,0,0|1,0,0]=3 5476 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,1,0,0,0,0|1,0,0]=3 5477 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,1,0,0,0,0|1,0,0]=3 5478 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,1,0,0,0,0|1,0,0]=3 5479 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [1,1,0,0,0,0|2,0,0]=4 5480 B11R1.24 CCCCc1ccnc(n1)N 271570a_100020621405_100009820717 [1,1,0,0,0,0|2,0,0]=4 5481 B11R1.24 CCCCc1cn[nH]c(=O)c1 271570a_100020621405_100010197405 [1,1,0,0,0,0|2,0,0]=4 5482 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,1,0,0,0,0|1,0,0]=3 5483 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,1,0,0,0,0|1,0,0]=3 5484 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,1,0,0,0,0|1,0,0]=3 5485 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,1,0,0,0,0|1,0,0]=3 5486 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,1,0,0,0,0|1,0,0]=3 5487 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,1,0,0,0,0|1,0,0]=3 5488 B11R1.24 CCCCc1cncc(n1)C 271570a_100020621405_100009842155 [1,1,0,0,0,0|2,0,0]=4 5489 B11R1.24 CCCCc1cncc(n1)F 271570a_100020621405_200009863489 [1,1,0,0,0,0|2,0,0]=4 5490 B11R1.24 CCCCc1cncc(n1)N 271570a_100020621405_100009819714 [1,1,0,0,0,0|2,0,0]=4 5491 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [1,1,0,0,0,0|2,0,0]=4 5492 B11R1.24 CCCCc1cnnc(c1)N 271570a_100020621405_100000130277 [1,1,0,0,0,0|2,0,0]=4 5493 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [1,1,0,0,0,0|2,0,0]=4 5494 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [1,1,0,0,0,0|2,0,0]=4 5495 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [1,1,0,0,0,0|2,0,0]=4 5496 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|1,0,0]=3 5497 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|1,0,0]=3 5498 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|1,0,0]=3 5499 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|1,0,0]=3 5500 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|1,0,0]=3 5501 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|1,0,0]=3 5502 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|1,0,0]=3 5503 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [1,1,0,0,0,0|2,0,0]=4 5504 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [1,1,0,0,0,0|2,0,0]=4 5505 B11R1.24 CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210303 [1,1,0,0,0,0|2,0,0]=4 5506 B11R1.24 CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210303 [1,1,0,0,0,0|2,0,0]=4 5507 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [1,1,0,0,0,0|2,0,0]=4 5508 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|1,0,0]=3 5509 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|1,0,0]=3 5510 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|1,0,0]=3 5511 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|1,0,0]=3 5512 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|1,0,0]=3 5513 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|1,0,0]=3 5514 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|1,0,0]=3 5515 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|1,0,0]=3 5516 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|1,0,0]=3 5517 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|1,0,0]=3 5518 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|1,0,0]=3 5519 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|1,0,0]=3 5520 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [1,1,0,0,0,0|2,0,0]=4 5521 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [1,1,0,0,0,0|2,0,0]=4 5522 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [1,1,0,0,0,0|2,0,0]=4 5523 B11R1.24 CCCOc1ccnc(c1)Cl 34a_100000762945_100000210303 [1,1,0,0,0,0|2,0,0]=4 5524 B11R1.24 CCCOc1ccnc(c1)F 34a_100000732698_100000210303 [1,1,0,0,0,0|2,0,0]=4 5525 B11R1.24 CCCOc1ccnc(c1)N 34a_100011834064_100000210303 [1,1,0,0,0,0|2,0,0]=4 5526 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [1,1,0,0,0,0|2,0,0]=4 5527 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [1,1,0,0,0,0|2,0,0]=4 5528 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [1,1,0,0,0,0|2,0,0]=4 5529 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [1,1,0,0,0,0|2,0,0]=4 5530 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [1,1,0,0,0,0|2,0,0]=4 5531 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [1,1,0,0,0,0|2,0,0]=4 5532 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [1,1,0,0,0,0|2,0,0]=4 5533 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [1,1,0,0,0,0|2,0,0]=4 5534 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [1,1,0,0,0,0|2,0,0]=4 5535 B11R1.24 CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210303 [1,1,0,0,0,0|2,0,0]=4 5536 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [1,1,0,0,0,0|2,0,0]=4 5537 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [1,1,0,0,0,0|2,0,0]=4 5538 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [1,1,0,0,0,0|2,0,0]=4 5539 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [1,1,0,0,0,0|2,0,0]=4 5540 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [1,1,0,0,0,0|2,0,0]=4 5541 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [1,1,0,0,0,0|2,0,0]=4 5542 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [1,1,0,0,0,0|2,0,0]=4 5543 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [1,1,0,0,0,0|2,0,0]=4 5544 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [1,1,0,0,0,0|2,0,0]=4 5545 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100000210303_100009816521 [1,1,0,0,0,0|2,0,0]=4 5546 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210303 [1,1,0,0,0,0|2,0,0]=4 5547 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100000210303_100009996589 [1,1,0,0,0,0|2,0,0]=4 5548 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100009996589_100000210303 [1,1,0,0,0,0|2,0,0]=4 5549 B11R1.24 CCCSc1ccc[n+](c1)[O-] 62a_100000210303_100009815978 [1,1,0,0,0,0|2,0,0]=4 5550 B11R1.24 CCCSc1cccc(=O)[nH]1 62a_100000210303_100000752884 [1,1,0,0,0,0|2,0,0]=4 5551 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|1,0,0]=3 5552 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|1,0,0]=3 5553 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|1,0,0]=3 5554 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|1,0,0]=3 5555 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|1,0,0]=3 5556 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|1,0,0]=3 5557 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|1,0,0]=3 5558 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|1,0,0]=3 5559 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|1,0,0]=3 5560 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|1,0,0]=3 5561 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|1,0,0]=3 5562 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|1,0,0]=3 5563 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|1,0,0]=3 5564 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|1,0,0]=3 5565 B11R1.24 CCCSc1cccc(n1)Br 62a_100000210303_100000684672 [1,1,0,0,0,0|2,0,0]=4 5566 B11R1.24 CCCSc1cccc(n1)Br 62a_100000684672_100000210303 [1,1,0,0,0,0|2,0,0]=4 5567 B11R1.24 CCCSc1cccc(n1)C 62a_100000210303_100000742759 [1,1,0,0,0,0|2,0,0]=4 5568 B11R1.24 CCCSc1cccc(n1)C 62a_100000742759_100000210303 [1,1,0,0,0,0|2,0,0]=4 5569 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000051397_100000210303 [1,1,0,0,0,0|2,0,0]=4 5570 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000210303_100000051397 [1,1,0,0,0,0|2,0,0]=4 5571 B11R1.24 CCCSc1cccc(n1)F 62a_100000210303_100009815982 [1,1,0,0,0,0|2,0,0]=4 5572 B11R1.24 CCCSc1cccc(n1)F 62a_100009815982_100000210303 [1,1,0,0,0,0|2,0,0]=4 5573 B11R1.24 CCCSc1cccc(n1)N 62a_100000210303_100000740741 [1,1,0,0,0,0|2,0,0]=4 5574 B11R1.24 CCCSc1cccc(n1)N 62a_100000740741_100000210303 [1,1,0,0,0,0|2,0,0]=4 5575 B11R1.24 CCCSc1ccnc(c1)Br 62a_100000210303_100009814637 [1,1,0,0,0,0|2,0,0]=4 5576 B11R1.24 CCCSc1ccnc(c1)Br 62a_100009814637_100000210303 [1,1,0,0,0,0|2,0,0]=4 5577 B11R1.24 CCCSc1ccnc(c1)C 62a_100000210303_100000758586 [1,1,0,0,0,0|2,0,0]=4 5578 B11R1.24 CCCSc1ccnc(c1)C 62a_100000758586_100000210303 [1,1,0,0,0,0|2,0,0]=4 5579 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000035001_100000210303 [1,1,0,0,0,0|2,0,0]=4 5580 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000210303_100000035001 [1,1,0,0,0,0|2,0,0]=4 5581 B11R1.24 CCCSc1ccnc(c1)F 62a_100000210303_100009816116 [1,1,0,0,0,0|2,0,0]=4 5582 B11R1.24 CCCSc1ccnc(c1)F 62a_100009816116_100000210303 [1,1,0,0,0,0|2,0,0]=4 5583 B11R1.24 CCCSc1ccnc(c1)N 62a_100000049665_100000210303 [1,1,0,0,0,0|2,0,0]=4 5584 B11R1.24 CCCSc1ccnc(c1)N 62a_100000210303_100000049665 [1,1,0,0,0,0|2,0,0]=4 5585 B11R1.24 CCCSc1cncc(c1)Br 62a_100000210303_100000728054 [1,1,0,0,0,0|2,0,0]=4 5586 B11R1.24 CCCSc1cncc(c1)Br 62a_100000728054_100000210303 [1,1,0,0,0,0|2,0,0]=4 5587 B11R1.24 CCCSc1cncc(c1)C 62a_100000210303_100000760492 [1,1,0,0,0,0|2,0,0]=4 5588 B11R1.24 CCCSc1cncc(c1)C 62a_100000760492_100000210303 [1,1,0,0,0,0|2,0,0]=4 5589 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000049639_100000210303 [1,1,0,0,0,0|2,0,0]=4 5590 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000210303_100000049639 [1,1,0,0,0,0|2,0,0]=4 5591 B11R1.24 CCCSc1cncc(c1)F 62a_100000210303_100000744099 [1,1,0,0,0,0|2,0,0]=4 5592 B11R1.24 CCCSc1cncc(c1)F 62a_100000744099_100000210303 [1,1,0,0,0,0|2,0,0]=4 5593 B11R1.24 CCCSc1cncc(c1)N 62a_100000210303_100000687067 [1,1,0,0,0,0|2,0,0]=4 5594 B11R1.24 CCCSc1cncc(c1)N 62a_100000687067_100000210303 [1,1,0,0,0,0|2,0,0]=4 5595 B11R1.24 CCCSc1cncc(c1)O 62a_100000210303_100000754920 [1,1,0,0,0,0|2,0,0]=4 5596 B11R1.24 CCCSc1cncc(c1)O 62a_100000754920_100000210303 [1,1,0,0,0,0|2,0,0]=4 5597 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [1,1,0,0,0,0|2,0,0]=4 5598 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [1,1,0,0,0,0|2,0,0]=4 5599 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [1,1,0,0,0,0|2,0,0]=4 5600 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [1,1,0,0,0,0|2,0,0]=4 5601 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [1,1,0,0,0,0|2,0,0]=4 5602 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [1,1,0,0,0,0|2,0,0]=4 5603 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [1,1,0,0,0,0|2,0,0]=4 5604 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [1,1,0,0,0,0|2,0,0]=4 5605 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [1,1,0,0,0,0|2,0,0]=4 5606 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|1,0,0]=3 5607 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|1,0,0]=3 5608 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|1,0,0]=3 5609 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|1,0,0]=3 5610 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|1,0,0]=3 5611 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|1,0,0]=3 5612 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|1,0,0]=3 5613 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|1,0,0]=3 5614 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|1,0,0]=3 5615 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|1,0,0]=3 5616 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|1,0,0]=3 5617 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|1,0,0]=3 5618 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|1,0,0]=3 5619 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|1,0,0]=3 5620 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|1,0,0]=3 5621 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|1,0,0]=3 5622 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|1,0,0]=3 5623 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|1,0,0]=3 5624 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|1,0,0]=3 5625 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|1,0,0]=3 5626 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|1,0,0]=3 5627 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|1,0,0]=3 5628 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|1,0,0]=3 5629 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|1,0,0]=3 5630 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|1,0,0]=3 5631 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|1,0,0]=3 5632 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|1,0,0]=3 5633 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|1,0,0]=3 5634 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|1,0,0]=3 5635 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|1,0,0]=3 5636 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|1,0,0]=3 5637 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [1,1,0,0,0,0|2,0,0]=4 5638 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [1,1,0,0,0,0|2,0,0]=4 5639 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [1,1,0,0,0,0|2,0,0]=4 5640 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [1,1,0,0,0,0|2,0,0]=4 5641 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [1,1,0,0,0,0|2,0,0]=4 5642 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [1,1,0,0,0,0|2,0,0]=4 5643 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [1,1,0,0,0,0|2,0,0]=4 5644 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [1,1,0,0,0,0|2,0,0]=4 5645 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [1,1,0,0,0,0|2,0,0]=4 5646 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [1,1,0,0,0,0|2,0,0]=4 5647 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [1,1,0,0,0,0|2,0,0]=4 5648 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [1,1,0,0,0,0|2,0,0]=4 5649 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [1,1,0,0,0,0|2,0,0]=4 5650 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [1,1,0,0,0,0|2,0,0]=4 5651 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100015525214_100010243470 [1,1,0,0,0,0|2,0,0]=4 5652 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100025757509_100000210202 [1,1,0,0,0,0|2,0,0]=4 5653 B11R1.24 CCNCc1ccnc(c1)Br 270004a_100015525214_100009814634 [1,1,0,0,0,0|2,0,0]=4 5654 B11R1.24 CCNCc1ccnc(c1)Br 34a_100025757509_100000210202 [1,1,0,0,0,0|2,0,0]=4 5655 B11R1.24 CCNCc1ccnc(c1)C 207a_100015525214_100011361630 [1,1,0,0,0,0|2,0,0]=4 5656 B11R1.24 CCNCc1ccnc(c1)C 2230a_100015525214_200020672517 [1,1,0,0,0,0|2,0,0]=4 5657 B11R1.24 CCNCc1ccnc(c1)C 270004a_100015525214_100011361630 [1,1,0,0,0,0|2,0,0]=4 5658 B11R1.24 CCNCc1ccnc(c1)C 34a_100011934566_100000210202 [1,1,0,0,0,0|2,0,0]=4 5659 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210202 [1,1,0,0,0,0|2,0,0]=4 5660 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015525214_100000764220 [1,1,0,0,0,0|2,0,0]=4 5661 B11R1.24 CCNCc1ccnc(c1)Cl 270004a_100015525214_100011290808 [1,1,0,0,0,0|2,0,0]=4 5662 B11R1.24 CCNCc1ccnc(c1)Cl 34a_100015205668_100000210202 [1,1,0,0,0,0|2,0,0]=4 5663 B11R1.24 CCNCc1ccnc(c1)F 2230a_100015188774_100000210202 [1,1,0,0,0,0|2,0,0]=4 5664 B11R1.24 CCNCc1ccnc(c1)F 270004a_100015525214_100000068331 [1,1,0,0,0,0|2,0,0]=4 5665 B11R1.24 CCNCc1ccnc(c1)F 34a_100015188774_100000210202 [1,1,0,0,0,0|2,0,0]=4 5666 B11R1.24 CCNCc1ccnc(c1)O 207a_100015525214_100000688113 [1,1,0,0,0,0|2,0,0]=4 5667 B11R1.24 CCNCc1cncc(c1)Br 207a_100015525214_100000687066 [1,1,0,0,0,0|2,0,0]=4 5668 B11R1.24 CCNCc1cncc(c1)Br 2230a_100015525214_100000738771 [1,1,0,0,0,0|2,0,0]=4 5669 B11R1.24 CCNCc1cncc(c1)Br 270004a_100015525214_100000687066 [1,1,0,0,0,0|2,0,0]=4 5670 B11R1.24 CCNCc1cncc(c1)C 207a_100015525214_100011998712 [1,1,0,0,0,0|2,0,0]=4 5671 B11R1.24 CCNCc1cncc(c1)C 2230a_100000692839_100000210202 [1,1,0,0,0,0|2,0,0]=4 5672 B11R1.24 CCNCc1cncc(c1)C 2230a_100015525214_100000716715 [1,1,0,0,0,0|2,0,0]=4 5673 B11R1.24 CCNCc1cncc(c1)C 270004a_100015525214_100011998712 [1,1,0,0,0,0|2,0,0]=4 5674 B11R1.24 CCNCc1cncc(c1)C 34a_100000692839_100000210202 [1,1,0,0,0,0|2,0,0]=4 5675 B11R1.24 CCNCc1cncc(c1)Cl 207a_100015525214_100000088910 [1,1,0,0,0,0|2,0,0]=4 5676 B11R1.24 CCNCc1cncc(c1)Cl 2230a_100015525214_100016992070 [1,1,0,0,0,0|2,0,0]=4 5677 B11R1.24 CCNCc1cncc(c1)Cl 2230a_200020614424_100000210202 [1,1,0,0,0,0|2,0,0]=4 5678 B11R1.24 CCNCc1cncc(c1)Cl 270004a_100015525214_100000088910 [1,1,0,0,0,0|2,0,0]=4 5679 B11R1.24 CCNCc1cncc(c1)F 207a_100015525214_100011361476 [1,1,0,0,0,0|2,0,0]=4 5680 B11R1.24 CCNCc1cncc(c1)F 2230a_100011962886_100000210202 [1,1,0,0,0,0|2,0,0]=4 5681 B11R1.24 CCNCc1cncc(c1)F 2230a_100015525214_100000725299 [1,1,0,0,0,0|2,0,0]=4 5682 B11R1.24 CCNCc1cncc(c1)F 270004a_100015525214_100011361476 [1,1,0,0,0,0|2,0,0]=4 5683 B11R1.24 CCNCc1cncc(c1)F 34a_100011962886_100000210202 [1,1,0,0,0,0|2,0,0]=4 5684 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [1,1,0,0,0,0|2,0,0]=4 5685 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [1,1,0,0,0,0|2,0,0]=4 5686 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [1,1,0,0,0,0|2,0,0]=4 5687 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [1,1,0,0,0,0|2,0,0]=4 5688 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [1,1,0,0,0,0|2,0,0]=4 5689 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [1,1,0,0,0,0|2,0,0]=4 5690 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [1,1,0,0,0,0|2,0,0]=4 5691 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [1,1,0,0,0,0|2,0,0]=4 5692 B11R1.24 CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210202 [1,1,0,0,0,0|2,0,0]=4 5693 B11R1.24 CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210202 [1,1,0,0,0,0|2,0,0]=4 5694 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|1,0,0]=3 5695 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|1,0,0]=3 5696 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|1,0,0]=3 5697 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|1,0,0]=3 5698 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|1,0,0]=3 5699 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|1,0,0]=3 5700 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|1,0,0]=3 5701 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|1,0,0]=3 5702 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|1,0,0]=3 5703 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|1,0,0]=3 5704 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|1,0,0]=3 5705 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|1,0,0]=3 5706 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|1,0,0]=3 5707 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|1,0,0]=3 5708 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|1,0,0]=3 5709 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|1,0,0]=3 5710 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|1,0,0]=3 5711 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|1,0,0]=3 5712 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [1,1,0,0,0,0|2,0,0]=4 5713 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [1,1,0,0,0,0|2,0,0]=4 5714 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [1,1,0,0,0,0|2,0,0]=4 5715 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [1,1,0,0,0,0|2,0,0]=4 5716 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [1,1,0,0,0,0|2,0,0]=4 5717 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [1,1,0,0,0,0|2,0,0]=4 5718 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [1,1,0,0,0,0|2,0,0]=4 5719 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [1,1,0,0,0,0|2,0,0]=4 5720 B11R1.24 CCOCc1ccnc(c1)Br 34a_100009814636_100000210202 [1,1,0,0,0,0|2,0,0]=4 5721 B11R1.24 CCOCc1ccnc(c1)Br 34a_100121572206_100010243470 [1,1,0,0,0,0|2,0,0]=4 5722 B11R1.24 CCOCc1ccnc(c1)Br 7a_100009814636_100000210202 [1,1,0,0,0,0|2,0,0]=4 5723 B11R1.24 CCOCc1ccnc(c1)C 34a_100011998630_100000210202 [1,1,0,0,0,0|2,0,0]=4 5724 B11R1.24 CCOCc1ccnc(c1)C 34a_100121572206_200020672517 [1,1,0,0,0,0|2,0,0]=4 5725 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100000748751_100000210202 [1,1,0,0,0,0|2,0,0]=4 5726 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100121572206_100000764220 [1,1,0,0,0,0|2,0,0]=4 5727 B11R1.24 CCOCc1ccnc(c1)F 34a_100000082451_100000210202 [1,1,0,0,0,0|2,0,0]=4 5728 B11R1.24 CCOCc1cncc(c1)Br 34a_100011259137_100000210202 [1,1,0,0,0,0|2,0,0]=4 5729 B11R1.24 CCOCc1cncc(c1)Br 34a_100121572206_100000738771 [1,1,0,0,0,0|2,0,0]=4 5730 B11R1.24 CCOCc1cncc(c1)Br 7a_100011259137_100000210202 [1,1,0,0,0,0|2,0,0]=4 5731 B11R1.24 CCOCc1cncc(c1)C 34a_100011998709_100000210202 [1,1,0,0,0,0|2,0,0]=4 5732 B11R1.24 CCOCc1cncc(c1)C 34a_100121572206_100000716715 [1,1,0,0,0,0|2,0,0]=4 5733 B11R1.24 CCOCc1cncc(c1)C 7a_100011998709_100000210202 [1,1,0,0,0,0|2,0,0]=4 5734 B11R1.24 CCOCc1cncc(c1)Cl 34a_100000092867_100000210202 [1,1,0,0,0,0|2,0,0]=4 5735 B11R1.24 CCOCc1cncc(c1)Cl 34a_100121572206_100016992070 [1,1,0,0,0,0|2,0,0]=4 5736 B11R1.24 CCOCc1cncc(c1)Cl 7a_100000092867_100000210202 [1,1,0,0,0,0|2,0,0]=4 5737 B11R1.24 CCOCc1cncc(c1)F 34a_100011962875_100000210202 [1,1,0,0,0,0|2,0,0]=4 5738 B11R1.24 CCOCc1cncc(c1)F 34a_100121572206_100000725299 [1,1,0,0,0,0|2,0,0]=4 5739 B11R1.24 CCOCc1cncc(c1)F 7a_100011962875_100000210202 [1,1,0,0,0,0|2,0,0]=4 5740 B11R1.24 CCOCc1cncc(c1)N 34a_100000085308_100000210202 [1,1,0,0,0,0|2,0,0]=4 5741 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [1,1,0,0,0,0|2,0,0]=4 5742 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [1,1,0,0,0,0|2,0,0]=4 5743 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [1,1,0,0,0,0|2,0,0]=4 5744 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [1,1,0,0,0,0|2,0,0]=4 5745 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [1,1,0,0,0,0|2,0,0]=4 5746 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [1,1,0,0,0,0|2,0,0]=4 5747 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|1,0,0]=3 5748 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|1,0,0]=3 5749 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|1,0,0]=3 5750 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|1,0,0]=3 5751 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|1,0,0]=3 5752 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|1,0,0]=3 5753 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|1,0,0]=3 5754 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|1,0,0]=3 5755 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|1,0,0]=3 5756 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|1,0,0]=3 5757 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|1,0,0]=3 5758 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|1,0,0]=3 5759 B11R1.24 CCSCc1cccc(n1)Br 62a_100000210202_100009889011 [1,1,0,0,0,0|2,0,0]=4 5760 B11R1.24 CCSCc1cccc(n1)Br 62a_100009889011_100000210202 [1,1,0,0,0,0|2,0,0]=4 5761 B11R1.24 CCSCc1cccc(n1)C 62a_100000210202_100000757606 [1,1,0,0,0,0|2,0,0]=4 5762 B11R1.24 CCSCc1cccc(n1)C 62a_100000757606_100000210202 [1,1,0,0,0,0|2,0,0]=4 5763 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000086093_100000210202 [1,1,0,0,0,0|2,0,0]=4 5764 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000210202_100000086093 [1,1,0,0,0,0|2,0,0]=4 5765 B11R1.24 CCSCc1cccc(n1)F 62a_100000210202_100009819644 [1,1,0,0,0,0|2,0,0]=4 5766 B11R1.24 CCSCc1cccc(n1)F 62a_100009819644_100000210202 [1,1,0,0,0,0|2,0,0]=4 5767 B11R1.24 CCSCc1ccnc(c1)Br 62a_100000210202_100010243470 [1,1,0,0,0,0|2,0,0]=4 5768 B11R1.24 CCSCc1ccnc(c1)Br 62a_100010254460_100000210202 [1,1,0,0,0,0|2,0,0]=4 5769 B11R1.24 CCSCc1ccnc(c1)C 62a_100000210202_200020672517 [1,1,0,0,0,0|2,0,0]=4 5770 B11R1.24 CCSCc1ccnc(c1)C 62a_200020672517_100000210202 [1,1,0,0,0,0|2,0,0]=4 5771 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000210202_100000764220 [1,1,0,0,0,0|2,0,0]=4 5772 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000764220_100000210202 [1,1,0,0,0,0|2,0,0]=4 5773 B11R1.24 CCSCc1cncc(c1)Br 62a_100000210202_100000738771 [1,1,0,0,0,0|2,0,0]=4 5774 B11R1.24 CCSCc1cncc(c1)Br 62a_100000738771_100000210202 [1,1,0,0,0,0|2,0,0]=4 5775 B11R1.24 CCSCc1cncc(c1)C 62a_100000210202_100000716715 [1,1,0,0,0,0|2,0,0]=4 5776 B11R1.24 CCSCc1cncc(c1)C 62a_100000716715_100000210202 [1,1,0,0,0,0|2,0,0]=4 5777 B11R1.24 CCSCc1cncc(c1)Cl 62a_100000210202_100016992070 [1,1,0,0,0,0|2,0,0]=4 5778 B11R1.24 CCSCc1cncc(c1)Cl 62a_100016992070_100000210202 [1,1,0,0,0,0|2,0,0]=4 5779 B11R1.24 CCSCc1cncc(c1)F 62a_100000210202_100000725299 [1,1,0,0,0,0|2,0,0]=4 5780 B11R1.24 CCSCc1cncc(c1)F 62a_100000725299_100000210202 [1,1,0,0,0,0|2,0,0]=4 5781 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|1,0,0]=3 5782 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|1,0,0]=3 5783 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|1,0,0]=3 5784 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|1,0,0]=3 5785 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|1,0,0]=3 5786 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|1,0,0]=3 5787 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|1,0,0]=3 5788 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|1,0,0]=3 5789 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|1,0,0]=3 5790 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|1,0,0]=3 5791 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|1,0,0]=3 5792 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|1,0,0]=3 5793 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|1,0,0]=3 5794 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|1,0,0]=3 5795 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|1,0,0]=3 5796 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|1,0,0]=3 5797 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|1,0,0]=3 5798 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|1,0,0]=3 5799 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|1,0,0]=3 5800 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|1,0,0]=3 5801 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|1,0,0]=3 5802 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|1,0,0]=3 5803 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [1,1,0,0,0,0|2,0,0]=4 5804 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [1,1,0,0,0,0|2,0,0]=4 5805 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 5806 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|1,0,0]=3 5807 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 5808 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 5809 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|1,0,0]=3 5810 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 5811 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 5812 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|1,0,0]=3 5813 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 5814 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 5815 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|1,0,0]=3 5816 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 5817 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|1,0,0]=3 5818 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 5819 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 5820 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [1,1,0,0,0,0|2,0,0]=4 5821 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,1,0,0,0,0|2,0,0]=4 5822 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [1,1,0,0,0,0|2,0,0]=4 5823 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [1,1,0,0,0,0|2,0,0]=4 5824 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [1,1,0,0,0,0|2,0,0]=4 5825 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [1,1,0,0,0,0|2,0,0]=4 5826 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [1,1,0,0,0,0|2,0,0]=4 5827 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [1,1,0,0,0,0|2,0,0]=4 5828 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [1,1,0,0,0,0|2,0,0]=4 5829 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [1,1,0,0,0,0|2,0,0]=4 5830 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [1,1,0,0,0,0|2,0,0]=4 5831 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [1,1,0,0,0,0|2,0,0]=4 5832 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [1,1,0,0,0,0|2,0,0]=4 5833 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [1,1,0,0,0,0|2,0,0]=4 5834 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [1,1,0,0,0,0|2,0,0]=4 5835 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|1,0,0]=3 5836 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|1,0,0]=3 5837 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|1,0,0]=3 5838 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|1,0,0]=3 5839 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|1,0,0]=3 5840 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|1,0,0]=3 5841 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|1,0,0]=3 5842 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|1,0,0]=3 5843 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 5844 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 5845 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 5846 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [1,1,0,0,0,0|2,0,0]=4 5847 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [1,1,0,0,0,0|2,0,0]=4 5848 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [1,1,0,0,0,0|2,0,0]=4 5849 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 5850 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [1,1,0,0,0,0|2,0,0]=4 5851 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,1,0,0,0,0|2,0,0]=4 5852 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [1,1,0,0,0,0|2,0,0]=4 5853 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [1,1,0,0,0,0|2,0,0]=4 5854 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [1,1,0,0,0,0|2,0,0]=4 5855 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 5856 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [1,1,0,0,0,0|2,0,0]=4 5857 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [1,1,0,0,0,0|2,0,0]=4 5858 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [1,1,0,0,0,0|2,0,0]=4 5859 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [1,1,0,0,0,0|2,0,0]=4 5860 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [1,1,0,0,0,0|2,0,0]=4 5861 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [1,1,0,0,0,0|2,0,0]=4 5862 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [1,1,0,0,0,0|2,0,0]=4 5863 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [1,1,0,0,0,0|2,0,0]=4 5864 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 5865 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [1,1,0,0,0,0|2,0,0]=4 5866 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [1,1,0,0,0,0|2,0,0]=4 5867 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [1,1,0,0,0,0|2,0,0]=4 5868 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [1,1,0,0,0,0|2,0,0]=4 5869 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100000211926_100009996589 [1,1,0,0,0,0|2,0,0]=4 5870 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100009996589_100000211926 [1,1,0,0,0,0|2,0,0]=4 5871 B11R1.24 Cc1cc(ccn1)NCCO 27a_100000210304_100000758586 [1,1,0,0,0,0|2,0,0]=4 5872 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [1,1,0,0,0,0|2,0,0]=4 5873 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000211926_100000758586 [1,1,0,0,0,0|2,0,0]=4 5874 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000758586_100000211926 [1,1,0,0,0,0|2,0,0]=4 5875 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|1,0,0]=3 5876 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|1,0,0]=3 5877 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 5878 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 5879 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|1,0,0]=3 5880 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|1,0,0]=3 5881 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [1,1,0,0,0,0|2,0,0]=4 5882 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [1,1,0,0,0,0|2,0,0]=4 5883 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [1,1,0,0,0,0|2,0,0]=4 5884 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [1,1,0,0,0,0|2,0,0]=4 5885 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [1,1,0,0,0,0|2,0,0]=4 5886 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [1,1,0,0,0,0|2,0,0]=4 5887 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [1,1,0,0,0,0|2,0,0]=4 5888 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [1,1,0,0,0,0|1,0,0]=3 5889 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [1,1,0,0,0,0|1,0,0]=3 5890 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [1,1,0,0,0,0|2,0,0]=4 5891 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [1,1,0,0,0,0|2,0,0]=4 5892 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [1,1,0,0,0,0|1,0,0]=3 5893 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [1,1,0,0,0,0|1,0,0]=3 5894 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [1,1,0,0,0,0|2,0,0]=4 5895 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [1,1,0,0,0,0|2,0,0]=4 5896 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [1,1,0,0,0,0|1,0,0]=3 5897 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [1,1,0,0,0,0|1,0,0]=3 5898 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [1,1,0,0,0,0|2,0,0]=4 5899 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [1,1,0,0,0,0|2,0,0]=4 5900 B11R1.24 Cc1cccc(n1)SCCO 62a_100000211926_100000742759 [1,1,0,0,0,0|2,0,0]=4 5901 B11R1.24 Cc1cccc(n1)SCCO 62a_100000742759_100000211926 [1,1,0,0,0,0|2,0,0]=4 5902 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000211926_100000750283 [1,1,0,0,0,0|2,0,0]=4 5903 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000750283_100000211926 [1,1,0,0,0,0|2,0,0]=4 5904 B11R1.24 Cc1cncc(c1)OCCO 34a_100011830280_100000211926 [1,1,0,0,0,0|2,0,0]=4 5905 B11R1.24 Cc1cncc(c1)OCCO 7a_100011830280_100000211926 [1,1,0,0,0,0|2,0,0]=4 5906 B11R1.24 Cc1cncc(c1)SCCO 62a_100000211926_100000760492 [1,1,0,0,0,0|2,0,0]=4 5907 B11R1.24 Cc1cncc(c1)SCCO 62a_100000760492_100000211926 [1,1,0,0,0,0|2,0,0]=4 5908 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [1,1,0,0,0,0|2,0,0]=4 5909 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [1,1,0,0,0,0|2,0,0]=4 5910 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [1,1,0,0,0,0|2,0,0]=4 5911 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [1,1,0,0,0,0|2,0,0]=4 5912 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [1,1,0,0,0,0|2,0,0]=4 5913 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [1,1,0,0,0,0|2,0,0]=4 5914 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [1,1,0,0,0,0|2,0,0]=4 5915 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [1,1,0,0,0,0|2,0,0]=4 5916 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [1,1,0,0,0,0|2,0,0]=4 5917 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [1,1,0,0,0,0|2,0,0]=4 5918 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [1,1,0,0,0,0|2,0,0]=4 5919 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [1,1,0,0,0,0|2,0,0]=4 5920 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [1,1,0,0,0,0|2,0,0]=4 5921 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [1,1,0,0,0,0|2,0,0]=4 5922 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [1,1,0,0,0,0|2,0,0]=4 5923 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [1,1,0,0,0,0|2,0,0]=4 5924 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [1,1,0,0,0,0|2,0,0]=4 5925 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [1,1,0,0,0,0|2,0,0]=4 5926 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [1,1,0,0,0,0|2,0,0]=4 5927 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [1,1,0,0,0,0|2,0,0]=4 5928 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [1,1,0,0,0,0|2,0,0]=4 5929 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [1,1,0,0,0,0|2,0,0]=4 5930 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [1,1,0,0,0,0|2,0,0]=4 5931 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [1,1,0,0,0,0|2,0,0]=4 5932 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [1,1,0,0,0,0|2,0,0]=4 5933 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [1,1,0,0,0,0|2,0,0]=4 5934 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [1,1,0,0,0,0|2,0,0]=4 5935 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [1,1,0,0,0,0|2,0,0]=4 5936 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [1,1,0,0,0,0|2,0,0]=4 5937 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [1,1,0,0,0,0|2,0,0]=4 5938 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [1,1,0,0,0,0|2,0,0]=4 5939 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [1,1,0,0,0,0|2,0,0]=4 5940 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [1,1,0,0,0,0|2,0,0]=4 5941 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [1,1,0,0,0,0|2,0,0]=4 5942 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [1,1,0,0,0,0|2,0,0]=4 5943 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [1,1,0,0,0,0|2,0,0]=4 5944 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [1,1,0,0,0,0|2,0,0]=4 5945 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [1,1,0,0,0,0|2,0,0]=4 5946 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [1,1,0,0,0,0|2,0,0]=4 5947 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [1,1,0,0,0,0|2,0,0]=4 5948 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [1,1,0,0,0,0|1,0,1]=4 5949 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|1,0,0]=3 5950 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [1,1,0,0,0,0|2,0,0]=4 5951 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [1,1,0,0,0,0|2,0,0]=4 5952 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000049665_100000211926 [1,1,0,0,0,0|2,0,0]=4 5953 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000211926_100000049665 [1,1,0,0,0,0|2,0,0]=4 5954 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [1,1,0,0,0,0|2,0,0]=4 5955 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|2,0,0]=4 5956 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [1,1,0,0,0,0|1,0,0]=3 5957 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [1,1,0,0,0,0|2,0,0]=4 5958 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [1,1,0,0,0,0|2,0,0]=4 5959 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [1,1,0,0,0,0|1,0,0]=3 5960 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [1,1,0,0,0,0|1,0,0]=3 5961 B11R1.24 Nc1cccc(n1)SCCO 62a_100000211926_100000740741 [1,1,0,0,0,0|2,0,0]=4 5962 B11R1.24 Nc1cccc(n1)SCCO 62a_100000740741_100000211926 [1,1,0,0,0,0|2,0,0]=4 5963 B11R1.24 Nc1ccnc(c1)SCCO 62a_100000211926_100009814236 [1,1,0,0,0,0|2,0,0]=4 5964 B11R1.24 Nc1ccnc(c1)SCCO 62a_100009814236_100000211926 [1,1,0,0,0,0|2,0,0]=4 5965 B11R1.24 Nc1cncc(c1)OCCO 34a_100011997051_100000211926 [1,1,0,0,0,0|2,0,0]=4 5966 B11R1.24 Nc1cncc(c1)SCCO 62a_100000211926_100000687067 [1,1,0,0,0,0|2,0,0]=4 5967 B11R1.24 Nc1cncc(c1)SCCO 62a_100000687067_100000211926 [1,1,0,0,0,0|2,0,0]=4 5968 B11R1.24 O=c1cc(cc[nH]1)NCCO 27a_100000210304_100000061649 [1,1,0,0,0,0|2,0,0]=4 5969 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [1,1,0,0,0,0|2,0,0]=4 5970 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100000211926_100009816521 [1,1,0,0,0,0|2,0,0]=4 5971 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100009816521_100000211926 [1,1,0,0,0,0|2,0,0]=4 5972 B11R1.24 O=c1cc[nH]c(c1)SCCO 62a_100009817434_100000211926 [1,1,0,0,0,0|2,0,0]=4 5973 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [1,1,0,0,0,0|2,0,0]=4 5974 B11R1.24 O=c1cccc([nH]1)SCCO 62a_100000211926_100000752884 [1,1,0,0,0,0|2,0,0]=4 5975 B11R1.24 OCC#Cc1cccc(c1)O 271570a_203496583355_100009814051 [1,1,0,0,0,0|0,0,2]=4 5976 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|0,0,0]=2 5977 B11R1.24 OCCNc1cc(ccn1)F 27a_100000210304_100000764206 [1,1,0,0,0,0|2,0,0]=4 5978 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [1,1,0,0,0,0|1,0,0]=3 5979 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [1,1,0,0,0,0|1,0,0]=3 5980 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [1,1,0,0,0,0|1,0,0]=3 5981 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [1,1,0,0,0,0|1,0,0]=3 5982 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [1,1,0,0,0,0|1,0,0]=3 5983 B11R1.24 OCCNc1cccc(n1)F 27a_100000210304_100009815982 [1,1,0,0,0,0|2,0,0]=4 5984 B11R1.24 OCCNc1cccc(n1)O 271570a_203496583355_200011880208 [1,1,0,0,0,0|2,0,0]=4 5985 B11R1.24 OCCNc1ccnc(c1)F 27a_100000210304_100009816116 [1,1,0,0,0,0|2,0,0]=4 5986 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [1,1,0,0,0,0|1,0,0]=3 5987 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [1,1,0,0,0,0|1,0,0]=3 5988 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [1,1,0,0,0,0|1,0,0]=3 5989 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [1,1,0,0,0,0|1,0,0]=3 5990 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [1,1,0,0,0,0|1,0,0]=3 5991 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [1,1,0,0,0,0|1,0,0]=3 5992 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [1,1,0,0,0,0|1,0,0]=3 5993 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [1,1,0,0,0,0|1,0,0]=3 5994 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [1,1,0,0,0,0|1,0,0]=3 5995 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [1,1,0,0,0,0|2,0,0]=4 5996 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [1,1,0,0,0,0|2,0,0]=4 5997 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [1,1,0,0,0,0|2,0,0]=4 5998 B11R1.24 OCCOc1cncc(c1)Br 34a_100000754920_100000211926 [1,1,0,0,0,0|2,0,0]=4 5999 B11R1.24 OCCOc1cncc(c1)Br 7a_100000754920_100000211926 [1,1,0,0,0,0|2,0,0]=4 6000 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [1,1,0,0,0,0|2,0,0]=4 6001 B11R1.24 OCCOc1cncc(c1)F 34a_100011830296_100000211926 [1,1,0,0,0,0|2,0,0]=4 6002 B11R1.24 OCCOc1cncc(c1)F 7a_100011830296_100000211926 [1,1,0,0,0,0|2,0,0]=4 6003 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100000211926_100010167805 [1,1,0,0,0,0|2,0,0]=4 6004 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100010167805_100000211926 [1,1,0,0,0,0|2,0,0]=4 6005 B11R1.24 OCCSc1cc(ccn1)F 62a_100000211926_100000764206 [1,1,0,0,0,0|2,0,0]=4 6006 B11R1.24 OCCSc1cc(ccn1)F 62a_100000764206_100000211926 [1,1,0,0,0,0|2,0,0]=4 6007 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [1,1,0,0,0,0|2,0,0]=4 6008 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [1,1,0,0,0,0|1,0,0]=3 6009 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [1,1,0,0,0,0|1,0,0]=3 6010 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [1,1,0,0,0,0|1,0,0]=3 6011 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [1,1,0,0,0,0|1,0,0]=3 6012 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [1,1,0,0,0,0|1,0,0]=3 6013 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [1,1,0,0,0,0|1,0,0]=3 6014 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [1,1,0,0,0,0|1,0,0]=3 6015 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [1,1,0,0,0,0|1,0,0]=3 6016 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [1,1,0,0,0,0|1,0,0]=3 6017 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [1,1,0,0,0,0|1,0,0]=3 6018 B11R1.24 OCCSc1cccc(n1)Br 62a_100000211926_100000684672 [1,1,0,0,0,0|2,0,0]=4 6019 B11R1.24 OCCSc1cccc(n1)Br 62a_100000684672_100000211926 [1,1,0,0,0,0|2,0,0]=4 6020 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000051397_100000211926 [1,1,0,0,0,0|2,0,0]=4 6021 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000211926_100000051397 [1,1,0,0,0,0|2,0,0]=4 6022 B11R1.24 OCCSc1cccc(n1)F 62a_100000211926_100009815982 [1,1,0,0,0,0|2,0,0]=4 6023 B11R1.24 OCCSc1cccc(n1)F 62a_100009815982_100000211926 [1,1,0,0,0,0|2,0,0]=4 6024 B11R1.24 OCCSc1ccnc(c1)Br 62a_100000211926_100009814637 [1,1,0,0,0,0|2,0,0]=4 6025 B11R1.24 OCCSc1ccnc(c1)Br 62a_100009814637_100000211926 [1,1,0,0,0,0|2,0,0]=4 6026 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000035001_100000211926 [1,1,0,0,0,0|2,0,0]=4 6027 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000211926_100000035001 [1,1,0,0,0,0|2,0,0]=4 6028 B11R1.24 OCCSc1ccnc(c1)F 62a_100000211926_100009816116 [1,1,0,0,0,0|2,0,0]=4 6029 B11R1.24 OCCSc1ccnc(c1)F 62a_100009816116_100000211926 [1,1,0,0,0,0|2,0,0]=4 6030 B11R1.24 OCCSc1cncc(c1)Br 62a_100000211926_100000728054 [1,1,0,0,0,0|2,0,0]=4 6031 B11R1.24 OCCSc1cncc(c1)Br 62a_100000728054_100000211926 [1,1,0,0,0,0|2,0,0]=4 6032 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000049639_100000211926 [1,1,0,0,0,0|2,0,0]=4 6033 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000211926_100000049639 [1,1,0,0,0,0|2,0,0]=4 6034 B11R1.24 OCCSc1cncc(c1)F 62a_100000211926_100000744099 [1,1,0,0,0,0|2,0,0]=4 6035 B11R1.24 OCCSc1cncc(c1)F 62a_100000744099_100000211926 [1,1,0,0,0,0|2,0,0]=4 6036 B11R1.24 OCCSc1cncc(c1)O 62a_100000211926_100000754920 [1,1,0,0,0,0|2,0,0]=4 6037 B11R1.24 OCCSc1cncc(c1)O 62a_100000754920_100000211926 [1,1,0,0,0,0|2,0,0]=4 6038 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [1,1,0,0,0,0|2,0,0]=4 6039 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [1,1,0,0,0,0|2,0,0]=4 6040 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [1,1,0,0,0,0|2,0,0]=4 6041 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|2,0,0]=4 6042 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [1,1,0,0,0,0|2,0,0]=4 6043 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|1,0,0]=3 6044 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|1,0,0]=3 6045 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|1,0,0]=3 6046 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|1,0,0]=3 6047 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|1,0,0]=3 6048 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|1,0,0]=3 6049 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|1,0,0]=3 6050 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|1,0,0]=3 6051 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 6052 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 6053 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 6054 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 6055 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 6056 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 6057 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|1,0,0]=3 6058 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 6059 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 6060 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|1,0,0]=3 6061 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|1,0,0]=3 6062 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|1,0,0]=3 6063 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|1,0,0]=3 6064 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|1,0,0]=3 6065 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|1,0,0]=3 6066 B11R1.24 [O-][n+]1cccc(c1)OCCO 34a_100000039713_100000211926 [1,1,0,0,0,0|2,0,0]=4 6067 B11R1.24 [O-][n+]1cccc(c1)OCCO 7a_100000039713_100000211926 [1,1,0,0,0,0|2,0,0]=4 6068 B11R1.24 [O-][n+]1cccc(c1)SCCO 62a_100000211926_100009815978 [1,1,0,0,0,0|2,0,0]=4 6069 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|1,0,0]=3 6070 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [1,1,0,0,0,0|2,0,0]=4 6071 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,1,0,0,0,0|2,0,0]=4 6072 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,1,0,0,0,0|0,0,2]=4 6073 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,1,0,0,0,0|0,0,2]=4 6074 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,1,0,0,0,0|0,0,2]=4 6075 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,1,0,0,0,0|0,0,2]=4 6076 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,1,0,0,0,0|0,0,2]=4 6077 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,1,0,0,0,0|0,0,2]=4 6078 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,1,0,0,0,0|0,0,2]=4 6079 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,1,0,0,0,0|0,0,2]=4 6080 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|0,0,2]=4 6081 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|0,0,2]=4 6082 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|0,0,2]=4 6083 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,1,0,0,0,0|0,0,2]=4 6084 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,1,0,0,0,0|0,0,2]=4 6085 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|0,0,2]=4 6086 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|0,0,2]=4 6087 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,1,0,0,0,0|0,0,2]=4 6088 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,1,0,0,0,0|0,0,2]=4 6089 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,1,0,0,0,0|0,0,2]=4 6090 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,1,0,0,0,0|0,0,2]=4 6091 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,1,0,0,0,0|0,0,2]=4 6092 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,1,0,0,0,0|0,0,2]=4 6093 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,1,0,0,0,0|0,0,2]=4 6094 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,1,0,0,0,0|0,0,2]=4 6095 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,1,0,0,0,0|0,0,2]=4 6096 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,1,0,0,0,0|0,0,2]=4 6097 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,1,0,0,0,0|0,0,2]=4 6098 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|0,0,2]=4 6099 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|0,0,2]=4 6100 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|0,0,2]=4 6101 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,1,0,0,0,0|0,0,2]=4 6102 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,1,0,0,0,0|0,0,2]=4 6103 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [1,1,0,0,0,0|0,0,2]=4 6104 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,1,0,0,0,0|0,0,2]=4 6105 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,1,0,0,0,0|0,0,2]=4 6106 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [1,1,0,0,0,0|0,0,2]=4 6107 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [1,1,0,0,0,0|0,0,2]=4 6108 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,1,0,0,0,0|0,0,2]=4 6109 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|0,0,2]=4 6110 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|0,0,2]=4 6111 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,1,0,0,0,0|0,0,2]=4 6112 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,1,0,0,0,0|0,0,2]=4 6113 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,1,0,0,0,0|1,0,1]=4 6114 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [1,1,0,0,0,0|1,0,1]=4 6115 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|0,0,1]=3 6116 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [1,1,0,0,0,0|1,0,1]=4 6117 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,1,0,0,0,0|1,0,1]=4 6118 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [1,1,0,0,0,0|1,0,1]=4 6119 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|0,0,0]=2 6120 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [1,1,0,0,0,0|2,0,0]=4 6121 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [1,1,0,0,0,0|2,0,0]=4 6122 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [1,1,0,0,0,0|2,0,0]=4 6123 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [1,1,0,0,0,0|2,0,0]=4 6124 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|0,0,0]=2 6125 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|0,0,0]=2 6126 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,1,0,0,0,0|1,0,0]=3 6127 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,1,0,0,0,0|1,0,0]=3 6128 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,1,0,0,0,0|1,0,0]=3 6129 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [1,1,0,0,0,0|2,0,0]=4 6130 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [1,1,0,0,0,0|2,0,0]=4 6131 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|0,0,0]=2 6132 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|0,0,0]=2 6133 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,1,0,0,0,0|1,0,0]=3 6134 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,1,0,0,0,0|1,0,0]=3 6135 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,1,0,0,0,0|1,0,0]=3 6136 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,1,0,0,0,0|1,0,0]=3 6137 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [1,1,0,0,0,0|2,0,0]=4 6138 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [1,1,0,0,0,0|2,0,0]=4 6139 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [1,1,0,0,0,0|1,0,0]=3 6140 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [1,1,0,0,0,0|1,0,0]=3 6141 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [1,1,0,0,0,0|2,0,0]=4 6142 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [1,1,0,0,0,0|2,0,0]=4 6143 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [1,1,0,0,0,0|2,0,0]=4 6144 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [1,1,0,0,0,0|2,0,0]=4 6145 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [1,1,0,0,0,0|2,0,0]=4 6146 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [1,1,0,0,0,0|2,0,0]=4 6147 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [1,1,0,0,0,0|2,0,0]=4 6148 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [1,1,0,0,0,0|2,0,0]=4 6149 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [1,1,0,0,0,0|2,0,0]=4 6150 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [1,1,0,0,0,0|2,0,0]=4 6151 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|0,0,0]=2 6152 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|0,0,0]=2 6153 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|0,0,0]=2 6154 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|0,0,0]=2 6155 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,1,0,0,0,0|1,0,0]=3 6156 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,1,0,0,0,0|1,0,0]=3 6157 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,1,0,0,0,0|1,0,0]=3 6158 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,1,0,0,0,0|1,0,0]=3 6159 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [1,1,0,0,0,0|2,0,0]=4 6160 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,1,0,0,0,0|1,0,0]=3 6161 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [1,1,0,0,0,0|2,0,0]=4 6162 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [1,1,0,0,0,0|2,0,0]=4 6163 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [1,1,0,0,0,0|2,0,0]=4 6164 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [1,1,0,0,0,0|2,0,0]=4 6165 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [1,1,0,0,0,0|2,0,0]=4 6166 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|0,0,0]=2 6167 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|0,0,0]=2 6168 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|0,0,0]=2 6169 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,1,0,0,0,0|1,0,0]=3 6170 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,1,0,0,0,0|1,0,0]=3 6171 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [1,1,0,0,0,0|2,0,0]=4 6172 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [1,1,0,0,0,0|2,0,0]=4 6173 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [1,1,0,0,0,0|2,0,0]=4 6174 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [1,1,0,0,0,0|2,0,0]=4 6175 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|0,0,0]=2 6176 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|0,0,0]=2 6177 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,1,0,0,0,0|1,0,0]=3 6178 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,1,0,0,0,0|1,0,0]=3 6179 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,1,0,0,0,0|1,0,0]=3 6180 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,1,0,0,0,0|1,0,0]=3 6181 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [1,1,0,0,0,0|2,0,0]=4 6182 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [1,1,0,0,0,0|2,0,0]=4 6183 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,1,0,0,0,0|1,0,0]=3 6184 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,1,0,0,0,0|1,0,0]=3 6185 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [1,1,0,0,0,0|2,0,0]=4 6186 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [1,1,0,0,0,0|2,0,0]=4 6187 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [1,1,0,0,0,0|2,0,0]=4 6188 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [1,1,0,0,0,0|2,0,0]=4 6189 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [1,1,0,0,0,0|2,0,0]=4 6190 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [1,1,0,0,0,0|2,0,0]=4 6191 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|0,0,0]=2 6192 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|0,0,0]=2 6193 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|0,0,0]=2 6194 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,1,0,0,0,0|1,0,0]=3 6195 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,1,0,0,0,0|1,0,0]=3 6196 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,1,0,0,0,0|1,0,0]=3 6197 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [1,1,0,0,0,0|1,0,0]=3 6198 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|1,0,0]=3 6199 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [1,1,0,0,0,0|1,0,1]=4 6200 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,1,0,0,0,0|0,0,2]=4 6201 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|0,0,0]=2 6202 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|0,0,0]=2 6203 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|0,0,0]=2 6204 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,1,0,0,0,0|1,0,0]=3 6205 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,1,0,0,0,0|1,0,0]=3 6206 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,1,0,0,0,0|1,0,0]=3 6207 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [1,1,0,0,0,0|2,0,0]=4 6208 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [1,1,0,0,0,0|2,0,0]=4 6209 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|1,0,0]=3 6210 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|1,0,0]=3 6211 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [1,1,0,0,0,0|2,0,0]=4 6212 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [1,1,0,0,0,0|2,0,0]=4 6213 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [1,1,0,0,0,0|2,0,0]=4 6214 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [1,1,0,0,0,0|2,0,0]=4 6215 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [1,1,0,0,0,0|2,0,0]=4 6216 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [1,1,0,0,0,0|2,0,0]=4 6217 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|0,0,0]=2 6218 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|0,0,0]=2 6219 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [1,1,0,0,0,0|1,0,0]=3 6220 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [1,1,0,0,0,0|1,0,0]=3 6221 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,1,0,0,0,0|1,0,0]=3 6222 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,1,0,0,0,0|1,0,0]=3 6223 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [1,1,0,0,0,0|1,0,0]=3 6224 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [1,1,0,0,0,0|1,0,0]=3 6225 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|1,0,0]=3 6226 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|1,0,0]=3 6227 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,1,0,0,0,0|0,0,2]=4 6228 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,1,0,0,0,0|0,0,2]=4 6229 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,1,0,0,0,0|0,0,2]=4 6230 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,1,0,0,0,0|0,0,2]=4 6231 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,1,0,0,0,0|0,0,2]=4 6232 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [1,1,0,0,0,0|0,0,2]=4 6233 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [1,1,0,0,0,0|0,0,2]=4 6234 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [1,1,0,0,0,0|0,0,2]=4 6235 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [1,1,0,0,0,0|0,0,2]=4 6236 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,1,0,0,0,0|0,0,2]=4 6237 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|0,0,0]=2 6238 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|0,0,0]=2 6239 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|0,0,0]=2 6240 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|0,0,0]=2 6241 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|0,0,0]=2 6242 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,1,0,0,0,0|1,0,0]=3 6243 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,1,0,0,0,0|1,0,0]=3 6244 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,1,0,0,0,0|1,0,0]=3 6245 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|1,0,0]=3 6246 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|1,0,0]=3 6247 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|1,0,0]=3 6248 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|1,0,0]=3 6249 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|1,0,0]=3 6250 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|1,0,0]=3 6251 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [1,1,0,0,0,0|2,0,0]=4 6252 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,1,0,0,0,0|2,0,0]=4 6253 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|1,0,0]=3 6254 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|1,0,0]=3 6255 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|1,0,0]=3 6256 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|1,0,0]=3 6257 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|1,0,0]=3 6258 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|1,0,0]=3 6259 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,1,0,0,0,0|1,0,0]=3 6260 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,1,0,0,0,0|1,0,0]=3 6261 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|0,0,2]=4 6262 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|0,0,2]=4 6263 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|0,0,2]=4 6264 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|0,0,2]=4 6265 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|0,0,2]=4 6266 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|0,0,2]=4 6267 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [1,1,0,0,0,0|0,0,2]=4 6268 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|0,0,0]=2 6269 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|0,0,0]=2 6270 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|0,0,0]=2 6271 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,1,0,0,0,0|1,0,0]=3 6272 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,1,0,0,0,0|1,0,0]=3 6273 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,1,0,0,0,0|1,0,0]=3 6274 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|1,0,0]=3 6275 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 6276 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [1,1,0,0,0,0|2,0,0]=4 6277 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 6278 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|1,0,0]=3 6279 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|1,0,0]=3 6280 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 6281 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|1,0,0]=3 6282 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,1,0,0,0,0|2,0,0]=4 6283 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,1,0,0,0,0|2,0,0]=4 6284 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,1,0,0,0,0|2,0,0]=4 6285 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|1,0,0]=3 6286 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|1,0,0]=3 6287 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|1,0,0]=3 6288 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|1,0,0]=3 6289 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [1,1,0,0,0,0|2,0,0]=4 6290 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [1,1,0,0,0,0|2,0,0]=4 6291 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [1,1,0,0,0,0|2,0,0]=4 6292 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,1,0,0,0,0|2,0,0]=4 6293 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,1,0,0,0,0|2,0,0]=4 6294 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [1,1,0,0,0,0|2,0,0]=4 6295 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [1,1,0,0,0,0|2,0,0]=4 6296 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|1,0,0]=3 6297 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|1,0,0]=3 6298 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|1,0,0]=3 6299 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|1,0,0]=3 6300 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|1,0,0]=3 6301 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [1,1,0,0,0,0|2,0,0]=4 6302 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [1,1,0,0,0,0|2,0,0]=4 6303 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,1,0,0,0,0|2,0,0]=4 6304 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,1,0,0,0,0|2,0,0]=4 6305 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [1,1,0,0,0,0|2,0,0]=4 6306 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [1,1,0,0,0,0|2,0,0]=4 6307 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,1,0,0,0,0|0,0,2]=4 6308 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,1,0,0,0,0|0,0,2]=4 6309 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [1,1,0,0,0,0|0,0,2]=4 6310 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|0,0,0]=2 6311 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|0,0,0]=2 6312 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|1,0,0]=3 6313 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|1,0,0]=3 6314 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|1,0,0]=3 6315 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|1,0,0]=3 6316 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|1,0,0]=3 6317 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,1,0,0,0,0|2,0,0]=4 6318 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,1,0,0,0,0|2,0,0]=4 6319 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [1,1,0,0,0,0|2,0,0]=4 6320 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|1,0,0]=3 6321 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|1,0,0]=3 6322 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|1,0,0]=3 6323 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|1,0,0]=3 6324 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [1,1,0,0,0,0|2,0,0]=4 6325 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [1,1,0,0,0,0|2,0,0]=4 6326 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [1,1,0,0,0,0|2,0,0]=4 6327 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [1,1,0,0,0,0|2,0,0]=4 6328 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [1,1,0,0,0,0|2,0,0]=4 6329 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [1,1,0,0,0,0|2,0,0]=4 6330 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,1,0,0,0,0|1,0,0]=3 6331 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,1,0,0,0,0|1,0,0]=3 6332 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|1,0,0]=3 6333 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|1,0,0]=3 6334 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|1,0,0]=3 6335 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,1,0,0,0,0|1,0,0]=3 6336 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,1,0,0,0,0|1,0,0]=3 6337 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,1,0,0,0,0|1,0,0]=3 6338 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,1,0,0,0,0|1,0,0]=3 6339 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [1,1,0,0,0,0|2,0,0]=4 6340 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [1,1,0,0,0,0|2,0,0]=4 6341 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [1,1,0,0,0,0|2,0,0]=4 6342 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [1,1,0,0,0,0|2,0,0]=4 6343 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [1,1,0,0,0,0|2,0,0]=4 6344 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [1,1,0,0,0,0|2,0,0]=4 6345 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,1,0,0,0,0|1,0,0]=3 6346 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|1,0,0]=3 6347 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|1,0,0]=3 6348 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [1,1,0,0,0,0|2,0,0]=4 6349 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [1,1,0,0,0,0|2,0,0]=4 6350 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [1,1,0,0,0,0|2,0,0]=4 6351 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,1,0,0,0,0|1,0,0]=3 6352 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,1,0,0,0,0|1,0,0]=3 6353 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [1,1,0,0,0,0|2,0,0]=4 6354 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [1,1,0,0,0,0|2,0,0]=4 6355 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [1,1,0,0,0,0|2,0,0]=4 6356 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [1,1,0,0,0,0|2,0,0]=4 6357 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [1,1,0,0,0,0|2,0,0]=4 6358 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [1,1,0,0,0,0|2,0,0]=4 6359 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|1,0,0]=3 6360 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|1,0,0]=3 6361 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|1,0,0]=3 6362 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [1,1,0,0,0,0|2,0,0]=4 6363 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [1,1,0,0,0,0|2,0,0]=4 6364 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|1,0,0]=3 6365 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|1,0,0]=3 6366 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|1,0,0]=3 6367 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|1,0,0]=3 6368 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [1,1,0,0,0,0|2,0,0]=4 6369 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [1,1,0,0,0,0|2,0,0]=4 6370 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [1,1,0,0,0,0|2,0,0]=4 6371 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [1,1,0,0,0,0|2,0,0]=4 6372 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [1,1,0,0,0,0|2,0,0]=4 6373 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [1,1,0,0,0,0|2,0,0]=4 6374 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,1,0,0,0,0|1,0,0]=3 6375 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 6376 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 6377 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [1,1,0,0,0,0|2,0,0]=4 6378 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,1,0,0,0,0|2,0,0]=4 6379 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [1,1,0,0,0,0|2,0,0]=4 6380 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,1,0,0,0,0|1,0,0]=3 6381 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,1,0,0,0,0|1,0,0]=3 6382 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [1,1,0,0,0,0|2,0,0]=4 6383 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [1,1,0,0,0,0|2,0,0]=4 6384 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,1,0,0,0,0|2,0,0]=4 6385 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,1,0,0,0,0|2,0,0]=4 6386 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [1,1,0,0,0,0|2,0,0]=4 6387 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [1,1,0,0,0,0|2,0,0]=4 6388 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [1,1,0,0,0,0|2,0,0]=4 6389 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [1,1,0,0,0,0|2,0,0]=4 6390 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,1,0,0,0,0|1,0,1]=4 6391 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,1,0,0,0,0|1,0,1]=4 6392 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,1,0,0,0,0|1,0,1]=4 6393 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,1,0,0,0,0|1,0,1]=4 6394 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|1,0,1]=4 6395 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,1,0,0,0,0|1,0,1]=4 6396 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,1,0,0,0,0|1,0,1]=4 6397 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|1,0,0]=3 6398 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [1,1,0,0,0,0|2,0,0]=4 6399 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,1,0,0,0,0|2,0,0]=4 6400 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|0,0,2]=4 6401 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|0,0,2]=4 6402 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|0,0,2]=4 6403 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|0,0,2]=4 6404 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|0,0,2]=4 6405 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|0,0,2]=4 6406 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|0,0,0]=2 6407 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [1,1,0,0,0,0|2,0,0]=4 6408 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [1,1,0,0,0,0|2,0,0]=4 6409 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [1,1,0,0,0,0|2,0,0]=4 6410 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [1,1,0,0,0,0|2,0,0]=4 6411 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|0,0,0]=2 6412 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|0,0,0]=2 6413 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,1,0,0,0,0|1,0,0]=3 6414 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,1,0,0,0,0|1,0,0]=3 6415 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [1,1,0,0,0,0|1,0,0]=3 6416 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [1,1,0,0,0,0|2,0,0]=4 6417 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [1,1,0,0,0,0|2,0,0]=4 6418 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|0,0,0]=2 6419 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|0,0,0]=2 6420 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [1,1,0,0,0,0|1,0,0]=3 6421 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [1,1,0,0,0,0|1,0,0]=3 6422 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,1,0,0,0,0|1,0,0]=3 6423 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,1,0,0,0,0|1,0,0]=3 6424 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [1,1,0,0,0,0|2,0,0]=4 6425 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [1,1,0,0,0,0|2,0,0]=4 6426 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [1,1,0,0,0,0|1,0,0]=3 6427 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [1,1,0,0,0,0|1,0,0]=3 6428 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [1,1,0,0,0,0|2,0,0]=4 6429 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [1,1,0,0,0,0|2,0,0]=4 6430 B11R1.28 OCCCSc1ccnnc1 62a_100000732662_100011215043 [1,1,0,0,0,0|2,0,0]=4 6431 B11R1.28 OCCCSc1ccnnc1 62a_100011215043_100000732662 [1,1,0,0,0,0|2,0,0]=4 6432 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [1,1,0,0,0,0|2,0,0]=4 6433 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [1,1,0,0,0,0|2,0,0]=4 6434 B11R1.28 OCCCSc1cncnc1 62a_100011206942_100011215043 [1,1,0,0,0,0|2,0,0]=4 6435 B11R1.28 OCCCSc1cncnc1 62a_100011215043_100011206942 [1,1,0,0,0,0|2,0,0]=4 6436 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [1,1,0,0,0,0|2,0,0]=4 6437 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [1,1,0,0,0,0|2,0,0]=4 6438 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|0,0,0]=2 6439 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|0,0,0]=2 6440 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|0,0,0]=2 6441 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|0,0,0]=2 6442 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|0,0,0]=2 6443 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|0,0,0]=2 6444 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [1,1,0,0,0,0|1,0,0]=3 6445 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [1,1,0,0,0,0|1,0,0]=3 6446 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [1,1,0,0,0,0|1,0,0]=3 6447 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [1,1,0,0,0,0|1,0,0]=3 6448 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,1,0,0,0,0|1,0,0]=3 6449 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,1,0,0,0,0|1,0,0]=3 6450 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,1,0,0,0,0|1,0,0]=3 6451 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,1,0,0,0,0|1,0,0]=3 6452 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [1,1,0,0,0,0|2,0,0]=4 6453 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [1,1,0,0,0,0|2,0,0]=4 6454 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [1,1,0,0,0,0|2,0,0]=4 6455 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [1,1,0,0,0,0|1,0,0]=3 6456 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [1,1,0,0,0,0|1,0,0]=3 6457 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [1,1,0,0,0,0|2,0,0]=4 6458 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [1,1,0,0,0,0|2,0,0]=4 6459 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [1,1,0,0,0,0|2,0,0]=4 6460 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [1,1,0,0,0,0|2,0,0]=4 6461 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [1,1,0,0,0,0|2,0,0]=4 6462 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [1,1,0,0,0,0|2,0,0]=4 6463 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [1,1,0,0,0,0|2,0,0]=4 6464 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [1,1,0,0,0,0|2,0,0]=4 6465 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [1,1,0,0,0,0|2,0,0]=4 6466 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [1,1,0,0,0,0|2,0,0]=4 6467 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [1,1,0,0,0,0|2,0,0]=4 6468 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|0,0,0]=2 6469 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|0,0,0]=2 6470 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|0,0,0]=2 6471 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|0,0,0]=2 6472 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [1,1,0,0,0,0|1,0,0]=3 6473 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [1,1,0,0,0,0|1,0,0]=3 6474 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,1,0,0,0,0|1,0,0]=3 6475 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,1,0,0,0,0|1,0,0]=3 6476 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [1,1,0,0,0,0|2,0,0]=4 6477 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [1,1,0,0,0,0|2,0,0]=4 6478 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [1,1,0,0,0,0|1,0,0]=3 6479 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [1,1,0,0,0,0|1,0,0]=3 6480 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [1,1,0,0,0,0|2,0,0]=4 6481 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [1,1,0,0,0,0|2,0,0]=4 6482 B11R1.28 OCCSCc1cncnc1 62a_100000211926_100015196519 [1,1,0,0,0,0|2,0,0]=4 6483 B11R1.28 OCCSCc1cncnc1 62a_100015196519_100000211926 [1,1,0,0,0,0|2,0,0]=4 6484 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [1,1,0,0,0,0|2,0,0]=4 6485 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [1,1,0,0,0,0|2,0,0]=4 6486 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,1,0,0,0,0|0,0,2]=4 6487 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,1,0,0,0,0|0,0,2]=4 6488 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [1,1,0,0,0,0|0,0,2]=4 6489 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|0,0,0]=2 6490 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|0,0,0]=2 6491 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,1,0,0,0,0|1,0,0]=3 6492 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,1,0,0,0,0|1,0,0]=3 6493 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,1,0,0,0,0|1,0,0]=3 6494 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|1,0,0]=3 6495 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|1,0,0]=3 6496 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [1,1,0,0,0,0|2,0,0]=4 6497 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,1,0,0,0,0|2,0,0]=4 6498 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|1,0,0]=3 6499 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|0,0,2]=4 6500 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|0,0,2]=4 6501 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|0,0,2]=4 6502 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [1,1,0,0,0,0|0,0,2]=4 6503 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|0,0,0]=2 6504 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|0,0,0]=2 6505 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,1,0,0,0,0|1,0,0]=3 6506 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,1,0,0,0,0|1,0,0]=3 6507 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,1,0,0,0,0|1,0,0]=3 6508 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 6509 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [1,1,0,0,0,0|2,0,0]=4 6510 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 6511 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 6512 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|1,0,0]=3 6513 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [1,1,0,0,0,0|2,0,0]=4 6514 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,1,0,0,0,0|0,0,2]=4 6515 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,1,0,0,0,0|0,0,2]=4 6516 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [1,1,0,0,0,0|0,0,2]=4 6517 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|0,0,0]=2 6518 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|0,0,0]=2 6519 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|1,0,0]=3 6520 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|1,0,0]=3 6521 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|1,0,0]=3 6522 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|1,0,0]=3 6523 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|1,0,0]=3 6524 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|1,0,0]=3 6525 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,1,0,0,0,0|1,0,0]=3 6526 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,1,0,0,0,0|1,0,0]=3 6527 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,1,0,0,0,0|1,0,0]=3 6528 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,1,0,0,0,0|1,0,0]=3 6529 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,1,0,0,0,0|1,0,0]=3 6530 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [1,1,0,0,0,0|2,0,0]=4 6531 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [1,1,0,0,0,0|2,0,0]=4 6532 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [1,1,0,0,0,0|2,0,0]=4 6533 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,1,0,0,0,0|1,0,0]=3 6534 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [1,1,0,0,0,0|2,0,0]=4 6535 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [1,1,0,0,0,0|2,0,0]=4 6536 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [1,1,0,0,0,0|2,0,0]=4 6537 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 6538 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 6539 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,1,0,0,0,0|1,0,0]=3 6540 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,1,0,0,0,0|1,0,0]=3 6541 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,1,0,0,0,0|2,0,0]=4 6542 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,1,0,0,0,0|2,0,0]=4 6543 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,1,0,0,0,0|1,0,1]=4 6544 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|0,0,1]=3 6545 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,1,0,0,0,0|1,0,1]=4 6546 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,1,0,0,0,0|1,0,1]=4 6547 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,1,0,0,0,0|1,0,1]=4 6548 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,1,0,0,0,0|1,0,1]=4 6549 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,1,0,0,0,0|1,0,1]=4 6550 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,1,0,0,0,0|1,0,1]=4 6551 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,1,0,0,0,0|1,0,1]=4 6552 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,1,0,0,0,0|1,0,1]=4 6553 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,1,0,0,0,0|1,0,1]=4 6554 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|1,0,0]=3 6555 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|1,0,0]=3 6556 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|1,0,0]=3 6557 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [1,1,0,0,0,0|2,0,0]=4 6558 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [1,1,0,0,0,0|2,0,0]=4 6559 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [1,1,0,0,0,0|2,0,0]=4 6560 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|1,0,0]=3 6561 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|1,0,0]=3 6562 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [1,1,0,0,0,0|2,0,0]=4 6563 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [1,1,0,0,0,0|2,0,0]=4 6564 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [1,1,0,0,0,0|2,0,0]=4 6565 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [1,1,0,0,0,0|2,0,0]=4 6566 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [1,1,0,0,0,0|2,0,0]=4 6567 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [1,1,0,0,0,0|2,0,0]=4 6568 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,1,0,0,0,0|1,0,0]=3 6569 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,1,0,0,0,0|1,0,0]=3 6570 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,1,0,0,0,0|1,0,0]=3 6571 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,1,0,0,0,0|1,0,0]=3 6572 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,1,0,0,0,0|1,0,0]=3 6573 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,1,0,0,0,0|1,0,0]=3 6574 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [1,1,0,0,0,0|2,0,0]=4 6575 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [1,1,0,0,0,0|2,0,0]=4 6576 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [1,1,0,0,0,0|2,0,0]=4 6577 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [1,1,0,0,0,0|2,0,0]=4 6578 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [1,1,0,0,0,0|2,0,0]=4 6579 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [1,1,0,0,0,0|2,0,0]=4 6580 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [1,1,0,0,0,0|2,0,0]=4 6581 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [1,1,0,0,0,0|2,0,0]=4 6582 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [1,1,0,0,0,0|2,0,0]=4 6583 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [1,1,0,0,0,0|2,0,0]=4 6584 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [1,1,0,0,0,0|2,0,0]=4 6585 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [1,1,0,0,0,0|2,0,0]=4 6586 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [1,1,0,0,0,0|2,0,0]=4 6587 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [1,1,0,0,0,0|2,0,0]=4 6588 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [1,1,0,0,0,0|2,0,0]=4 6589 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [1,1,0,0,0,0|2,0,0]=4 6590 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [1,1,0,0,0,0|2,0,0]=4 6591 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [1,1,0,0,0,0|2,0,0]=4 6592 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,1,0,0,0,0|1,0,0]=3 6593 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,1,0,0,0,0|1,0,0]=3 6594 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [1,1,0,0,0,0|2,0,0]=4 6595 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [1,1,0,0,0,0|2,0,0]=4 6596 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [1,1,0,0,0,0|2,0,0]=4 6597 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [1,1,0,0,0,0|2,0,0]=4 6598 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [1,1,0,0,0,0|2,0,0]=4 6599 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [1,1,0,0,0,0|2,0,0]=4 6600 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [1,1,0,0,0,0|2,0,0]=4 6601 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,1,0,0,0,0|2,0,0]=4 6602 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,1,0,0,0,0|1,0,0]=3 6603 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,1,0,0,0,0|1,0,0]=3 6604 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,1,0,0,0,0|2,0,0]=4 6605 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,1,0,0,0,0|2,0,0]=4 6606 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,1,0,0,0,0|2,0,0]=4 6607 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,1,0,0,0,0|2,0,0]=4 6608 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 6609 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|1,0,0]=3 6610 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 6611 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,1,0,0,0,0|2,0,0]=4 6612 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,1,0,0,0,0|2,0,0]=4 6613 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,1,0,0,0,0|1,0,0]=3 6614 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,1,0,0,0,0|1,0,0]=3 6615 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,1,0,0,0,0|1,0,0]=3 6616 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,1,0,0,0,0|1,0,0]=3 6617 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [1,1,0,0,0,0|2,0,0]=4 6618 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [1,1,0,0,0,0|2,0,0]=4 6619 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [1,1,0,0,0,0|2,0,0]=4 6620 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [1,1,0,0,0,0|2,0,0]=4 6621 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [1,1,0,0,0,0|2,0,0]=4 6622 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [1,1,0,0,0,0|2,0,0]=4 6623 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|0,0,1]=3 6624 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [1,1,0,0,0,0|1,0,1]=4 6625 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [1,1,0,0,0,0|1,0,1]=4 6626 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [1,1,0,0,0,0|1,0,1]=4 6627 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,1,0,0,0,0|1,0,1]=4 6628 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,1,0,0,0,0|1,0,1]=4 6629 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,1,0|0,0,2]=4 6630 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,1,0|0,0,2]=4 6631 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,1,0|0,0,2]=4 6632 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,1,0|0,0,2]=4 6633 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,1,0|0,0,2]=4 6634 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,1,0|0,0,2]=4 6635 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,1,0|0,0,2]=4 6636 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,1,0|0,0,2]=4 6637 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,1,0|0,0,2]=4 6638 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,1,0|0,0,2]=4 6639 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,1,0|0,0,2]=4 6640 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,1,0|0,0,2]=4 6641 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,1,0,0,1,0|1,0,0]=3 6642 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [0,1,0,0,1,0|2,0,0]=4 6643 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [0,1,0,0,1,0|2,0,0]=4 6644 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [0,1,0,0,1,0|2,0,0]=4 6645 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [0,1,0,0,1,0|2,0,0]=4 6646 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [0,1,0,0,1,0|2,0,0]=4 6647 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [0,1,0,0,1,0|2,0,0]=4 6648 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [0,1,0,0,1,0|2,0,0]=4 6649 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [0,1,0,0,1,0|2,0,0]=4 6650 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [0,1,0,0,1,0|2,0,0]=4 6651 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [0,1,0,0,1,0|2,0,0]=4 6652 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [0,1,0,0,1,0|2,0,0]=4 6653 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [0,1,0,0,1,0|2,0,0]=4 6654 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [0,1,0,0,1,0|2,0,0]=4 6655 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [0,1,0,0,1,0|2,0,0]=4 6656 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [0,1,0,0,1,0|2,0,0]=4 6657 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [0,1,0,0,1,0|2,0,0]=4 6658 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,1,0,0,1,0|2,0,0]=4 6659 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [0,1,0,0,1,0|2,0,0]=4 6660 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [0,1,0,0,1,0|2,0,0]=4 6661 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [0,1,0,0,1,0|2,0,0]=4 6662 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [0,1,0,0,1,0|2,0,0]=4 6663 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [0,1,0,0,1,0|2,0,0]=4 6664 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [0,1,0,0,1,0|2,0,0]=4 6665 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [0,1,0,0,1,0|2,0,0]=4 6666 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [0,1,0,0,1,0|2,0,0]=4 6667 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,1,0,0,1,0|2,0,0]=4 6668 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,1,0,0,1,0|2,0,0]=4 6669 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [0,1,0,0,1,0|2,0,0]=4 6670 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [0,1,0,0,1,0|2,0,0]=4 6671 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [0,1,0,0,1,0|2,0,0]=4 6672 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [0,1,0,0,1,0|2,0,0]=4 6673 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [0,1,0,0,1,0|2,0,0]=4 6674 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [0,1,0,0,1,0|2,0,0]=4 6675 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [0,1,0,0,1,0|2,0,0]=4 6676 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [0,1,0,0,1,0|2,0,0]=4 6677 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [0,1,0,0,1,0|2,0,0]=4 6678 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [0,1,0,0,1,0|2,0,0]=4 6679 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [0,1,0,0,1,0|2,0,0]=4 6680 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [0,1,0,0,1,0|2,0,0]=4 6681 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [0,1,0,0,1,0|2,0,0]=4 6682 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [0,1,0,0,1,0|2,0,0]=4 6683 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [0,1,0,0,1,0|2,0,0]=4 6684 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [0,1,0,0,1,0|2,0,0]=4 6685 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [0,1,0,0,1,0|2,0,0]=4 6686 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [0,1,0,0,1,0|2,0,0]=4 6687 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [0,1,0,0,1,0|2,0,0]=4 6688 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,1,0,0,1,0|2,0,0]=4 6689 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,1,0,0,1,0|2,0,0]=4 6690 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,1,0,0,1,0|2,0,0]=4 6691 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [0,1,0,0,1,0|2,0,0]=4 6692 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [0,1,0,0,1,0|2,0,0]=4 6693 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [0,1,0,0,1,0|2,0,0]=4 6694 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [0,1,0,0,1,0|2,0,0]=4 6695 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [0,1,0,0,1,0|2,0,0]=4 6696 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [0,1,0,0,1,0|2,0,0]=4 6697 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [0,1,0,0,1,0|2,0,0]=4 6698 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [0,1,0,0,1,0|2,0,0]=4 6699 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,1,0,0,1,0|2,0,0]=4 6700 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,1,0,0,1,0|2,0,0]=4 6701 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,1,0|0,0,2]=4 6702 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [0,1,0,0,1,0|2,0,0]=4 6703 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [0,1,0,0,1,0|2,0,0]=4 6704 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [0,1,0,0,1,0|2,0,0]=4 6705 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [0,1,0,0,1,0|2,0,0]=4 6706 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [0,1,0,0,1,0|2,0,0]=4 6707 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [0,1,0,0,1,0|2,0,0]=4 6708 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [0,1,0,0,1,0|2,0,0]=4 6709 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [0,1,0,0,1,0|2,0,0]=4 6710 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [0,1,0,0,1,0|2,0,0]=4 6711 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [0,1,0,0,1,0|2,0,0]=4 6712 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [0,1,0,0,1,0|2,0,0]=4 6713 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [0,1,0,0,1,0|2,0,0]=4 6714 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [0,1,0,0,1,0|2,0,0]=4 6715 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [0,1,0,0,1,0|2,0,0]=4 6716 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,1,0|0,0,2]=4 6717 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,1,0|0,0,2]=4 6718 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,1,0|0,0,2]=4 6719 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,1,0|0,0,2]=4 6720 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,1,0|0,0,2]=4 6721 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,1,0|0,0,2]=4 6722 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,1,0|0,0,2]=4 6723 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,1,0|0,0,2]=4 6724 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,1,0|0,0,2]=4 6725 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,1,0|1,0,1]=4 6726 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,1,0,0,1,0|2,0,0]=4 6727 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,1,0,0,1,0|2,0,0]=4 6728 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,1,0,0,1,0|2,0,0]=4 6729 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,1,0,0,1,0|2,0,0]=4 6730 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,1,0,0,1,0|2,0,0]=4 6731 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,1,0,0,1,0|2,0,0]=4 6732 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,1,0,0,1,0|2,0,0]=4 6733 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,1,0,0,1,0|2,0,0]=4 6734 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,1,0,0,1,0|2,0,0]=4 6735 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,1,0,0,1,0|2,0,0]=4 6736 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,1,0,0,1,0|2,0,0]=4 6737 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,1,0|2,0,0]=4 6738 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,1,0|2,0,0]=4 6739 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,1,0|2,0,0]=4 6740 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,1,0|2,0,0]=4 6741 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,1,0|2,0,0]=4 6742 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,1,0|2,0,0]=4 6743 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,1,0|0,0,2]=4 6744 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,1,0|0,0,2]=4 6745 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,1,0|0,0,2]=4 6746 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,1,0|0,0,2]=4 6747 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,1,0|0,0,2]=4 6748 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,1,0|0,0,2]=4 6749 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,1,0|0,0,2]=4 6750 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,1,0|0,0,2]=4 6751 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,1,0|0,0,2]=4 6752 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,1,0|0,0,2]=4 6753 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,1,0|0,0,2]=4 6754 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,1,0|0,0,2]=4 6755 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,1,0|0,0,2]=4 6756 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,1,0|0,0,2]=4 6757 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,1,0|0,0,2]=4 6758 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [0,1,0,0,1,0|2,0,0]=4 6759 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [0,1,0,0,1,0|2,0,0]=4 6760 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [0,1,0,0,1,0|2,0,0]=4 6761 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [0,1,0,0,1,0|2,0,0]=4 6762 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,1,0,0,1,0|2,0,0]=4 6763 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,1,0,0,1,0|2,0,0]=4 6764 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [0,1,0,0,1,0|2,0,0]=4 6765 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [0,1,0,0,1,0|2,0,0]=4 6766 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [0,1,0,0,1,0|2,0,0]=4 6767 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [0,1,0,0,1,0|2,0,0]=4 6768 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [0,1,0,0,1,0|2,0,0]=4 6769 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [0,1,0,0,1,0|2,0,0]=4 6770 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [0,1,0,0,1,0|2,0,0]=4 6771 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [0,1,0,0,1,0|2,0,0]=4 6772 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [0,1,0,0,1,0|2,0,0]=4 6773 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [0,1,0,0,1,0|2,0,0]=4 6774 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,1,0,0,1,0|2,0,0]=4 6775 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [0,1,0,0,1,0|2,0,0]=4 6776 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [0,1,0,0,1,0|2,0,0]=4 6777 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [0,1,0,0,1,0|2,0,0]=4 6778 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [0,1,0,0,1,0|2,0,0]=4 6779 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [0,1,0,0,1,0|2,0,0]=4 6780 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [0,1,0,0,1,0|2,0,0]=4 6781 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [0,1,0,0,1,0|2,0,0]=4 6782 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [0,1,0,0,1,0|2,0,0]=4 6783 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,1,0,0,1,0|2,0,0]=4 6784 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,1,0,0,1,0|2,0,0]=4 6785 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [0,1,0,0,1,0|2,0,0]=4 6786 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [0,1,0,0,1,0|2,0,0]=4 6787 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [0,1,0,0,1,0|2,0,0]=4 6788 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [0,1,0,0,1,0|2,0,0]=4 6789 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [0,1,0,0,1,0|2,0,0]=4 6790 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [0,1,0,0,1,0|2,0,0]=4 6791 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [0,1,0,0,1,0|2,0,0]=4 6792 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [0,1,0,0,1,0|2,0,0]=4 6793 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [0,1,0,0,1,0|2,0,0]=4 6794 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [0,1,0,0,1,0|2,0,0]=4 6795 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [0,1,0,0,1,0|2,0,0]=4 6796 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [0,1,0,0,1,0|2,0,0]=4 6797 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [0,1,0,0,1,0|2,0,0]=4 6798 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [0,1,0,0,1,0|2,0,0]=4 6799 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [0,1,0,0,1,0|2,0,0]=4 6800 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [0,1,0,0,1,0|2,0,0]=4 6801 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [0,1,0,0,1,0|2,0,0]=4 6802 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [0,1,0,0,1,0|2,0,0]=4 6803 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [0,1,0,0,1,0|2,0,0]=4 6804 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,1,0,0,1,0|2,0,0]=4 6805 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,1,0,0,1,0|2,0,0]=4 6806 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,1,0,0,1,0|2,0,0]=4 6807 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [0,1,0,0,1,0|2,0,0]=4 6808 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [0,1,0,0,1,0|2,0,0]=4 6809 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [0,1,0,0,1,0|2,0,0]=4 6810 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [0,1,0,0,1,0|2,0,0]=4 6811 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [0,1,0,0,1,0|2,0,0]=4 6812 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [0,1,0,0,1,0|2,0,0]=4 6813 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [0,1,0,0,1,0|2,0,0]=4 6814 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,1,0,0,1,0|2,0,0]=4 6815 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,1,0,0,1,0|2,0,0]=4 6816 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,1,0|0,0,2]=4 6817 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [0,1,0,0,1,0|2,0,0]=4 6818 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [0,1,0,0,1,0|2,0,0]=4 6819 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [0,1,0,0,1,0|2,0,0]=4 6820 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [0,1,0,0,1,0|2,0,0]=4 6821 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [0,1,0,0,1,0|2,0,0]=4 6822 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [0,1,0,0,1,0|2,0,0]=4 6823 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [0,1,0,0,1,0|2,0,0]=4 6824 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [0,1,0,0,1,0|2,0,0]=4 6825 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [0,1,0,0,1,0|2,0,0]=4 6826 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [0,1,0,0,1,0|2,0,0]=4 6827 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,1,0,0,1,0|2,0,0]=4 6828 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,1,0,0,1,0|2,0,0]=4 6829 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,1,0|0,0,2]=4 6830 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,1,0|0,0,2]=4 6831 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,1,0|0,0,2]=4 6832 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,1,0|0,0,2]=4 6833 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,1,0|0,0,2]=4 6834 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,1,0|0,0,2]=4 6835 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,1,0|0,0,2]=4 6836 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,1,0|0,0,2]=4 6837 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,1,0|0,0,2]=4 6838 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,1,0|0,0,2]=4 6839 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,1,0|0,0,2]=4 6840 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,1,0|0,0,2]=4 6841 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,1,0|0,0,2]=4 6842 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,1,0|0,0,2]=4 6843 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,1,0|0,0,2]=4 6844 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,1,0|0,0,2]=4 6845 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,1,0|0,0,2]=4 6846 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,1,0|0,0,2]=4 6847 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [0,1,0,0,1,0|1,0,0]=3 6848 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [0,1,0,0,1,0|2,0,0]=4 6849 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [0,1,0,0,1,0|2,0,0]=4 6850 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [0,1,0,0,1,0|2,0,0]=4 6851 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [0,1,0,0,1,0|2,0,0]=4 6852 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [0,1,0,0,1,0|2,0,0]=4 6853 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [0,1,0,0,1,0|2,0,0]=4 6854 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [0,1,0,0,1,0|2,0,0]=4 6855 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [0,1,0,0,1,0|2,0,0]=4 6856 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [0,1,0,0,1,0|2,0,0]=4 6857 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [0,1,0,0,1,0|2,0,0]=4 6858 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [0,1,0,0,1,0|2,0,0]=4 6859 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [0,1,0,0,1,0|2,0,0]=4 6860 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [0,1,0,0,1,0|2,0,0]=4 6861 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [0,1,0,0,1,0|2,0,0]=4 6862 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [0,1,0,0,1,0|2,0,0]=4 6863 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [0,1,0,0,1,0|2,0,0]=4 6864 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000210206_100000691529 [0,1,0,0,1,0|2,0,0]=4 6865 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000691529_100000210206 [0,1,0,0,1,0|2,0,0]=4 6866 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000210206_100000699651 [0,1,0,0,1,0|2,0,0]=4 6867 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000699651_100000210206 [0,1,0,0,1,0|2,0,0]=4 6868 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000210206_100000685547 [0,1,0,0,1,0|2,0,0]=4 6869 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000685547_100000210206 [0,1,0,0,1,0|2,0,0]=4 6870 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [0,1,0,0,1,0|2,0,0]=4 6871 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [0,1,0,0,1,0|2,0,0]=4 6872 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [0,1,0,0,1,0|2,0,0]=4 6873 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [0,1,0,0,1,0|2,0,0]=4 6874 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_100000210206_114929384022 [0,1,0,0,1,0|2,0,0]=4 6875 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_114929384022_100000210206 [0,1,0,0,1,0|2,0,0]=4 6876 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [0,1,0,0,1,0|2,0,0]=4 6877 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [0,1,0,0,1,0|2,0,0]=4 6878 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [0,1,0,0,1,0|2,0,0]=4 6879 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [0,1,0,0,1,0|2,0,0]=4 6880 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [0,1,0,0,1,0|2,0,0]=4 6881 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [0,1,0,0,1,0|2,0,0]=4 6882 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [0,1,0,0,1,0|2,0,0]=4 6883 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [0,1,0,0,1,0|2,0,0]=4 6884 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [0,1,0,0,1,0|2,0,0]=4 6885 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [0,1,0,0,1,0|2,0,0]=4 6886 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [0,1,0,0,1,0|2,0,0]=4 6887 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [0,1,0,0,1,0|2,0,0]=4 6888 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [0,1,0,0,1,0|2,0,0]=4 6889 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [0,1,0,0,1,0|2,0,0]=4 6890 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [0,1,0,0,1,0|2,0,0]=4 6891 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [0,1,0,0,1,0|2,0,0]=4 6892 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [0,1,0,0,1,0|2,0,0]=4 6893 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [0,1,0,0,1,0|2,0,0]=4 6894 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [0,1,0,0,1,0|2,0,0]=4 6895 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [0,1,0,0,1,0|2,0,0]=4 6896 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [0,1,0,0,1,0|2,0,0]=4 6897 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [0,1,0,0,1,0|2,0,0]=4 6898 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [0,1,0,0,1,0|2,0,0]=4 6899 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [0,1,0,0,1,0|2,0,0]=4 6900 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [0,1,0,0,1,0|2,0,0]=4 6901 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [0,1,0,0,1,0|2,0,0]=4 6902 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [0,1,0,0,1,0|2,0,0]=4 6903 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [0,1,0,0,1,0|2,0,0]=4 6904 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [0,1,0,0,1,0|2,0,0]=4 6905 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [0,1,0,0,1,0|2,0,0]=4 6906 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [0,1,0,0,1,0|2,0,0]=4 6907 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [0,1,0,0,1,0|2,0,0]=4 6908 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [0,1,0,0,1,0|2,0,0]=4 6909 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [0,1,0,0,1,0|2,0,0]=4 6910 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,1,0|0,0,2]=4 6911 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [0,1,0,0,1,0|2,0,0]=4 6912 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [0,1,0,0,1,0|2,0,0]=4 6913 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [0,1,0,0,1,0|2,0,0]=4 6914 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [0,1,0,0,1,0|2,0,0]=4 6915 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [0,1,0,0,1,0|2,0,0]=4 6916 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [0,1,0,0,1,0|2,0,0]=4 6917 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [0,1,0,0,1,0|2,0,0]=4 6918 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [0,1,0,0,1,0|2,0,0]=4 6919 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [0,1,0,0,1,0|2,0,0]=4 6920 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [0,1,0,0,1,0|2,0,0]=4 6921 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [0,1,0,0,1,0|2,0,0]=4 6922 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [0,1,0,0,1,0|2,0,0]=4 6923 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [0,1,0,0,1,0|2,0,0]=4 6924 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [0,1,0,0,1,0|2,0,0]=4 6925 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [0,1,0,0,1,0|2,0,0]=4 6926 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,1,0|0,0,2]=4 6927 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,1,0|0,0,2]=4 6928 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,1,0|0,0,2]=4 6929 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,1,0|0,0,2]=4 6930 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,1,0|0,0,2]=4 6931 B11R1.509 CC(C)(C)Nc1ccccc1 34a_100000106764_100000210625 [0,1,0,0,1,0|2,0,0]=4 6932 B11R1.509 CC(C)(C)Oc1ccccc1 34a_100000210340_100000210625 [0,1,0,0,1,0|2,0,0]=4 6933 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000211941_100000041952 [0,1,0,0,1,0|2,0,0]=4 6934 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000719477_100000211941 [0,1,0,0,1,0|2,0,0]=4 6935 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,1,0,0,1,0|2,0,0]=4 6936 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,1,0,0,1,0|2,0,0]=4 6937 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,1,0,0,1,0|2,0,0]=4 6938 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,1,0,0,1,0|2,0,0]=4 6939 B11R1.25 CC(CO)NCc1cccs1 2230a_100000211653_100012180447 [0,1,0,0,1,0|2,0,0]=4 6940 B11R1.25 CC(CO)NCc1ccoc1 2230a_100015206860_100012180447 [0,1,0,0,1,0|2,0,0]=4 6941 B11R1.25 CC(CO)NCc1ccoc1 34a_100015206860_100012180447 [0,1,0,0,1,0|2,0,0]=4 6942 B11R1.25 CC(CO)NCc1ccsc1 2230a_100000186416_100012180447 [0,1,0,0,1,0|2,0,0]=4 6943 B11R1.25 CC(CO)NCc1ccsc1 34a_100000186416_100012180447 [0,1,0,0,1,0|2,0,0]=4 6944 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,1,0,0,1,0|2,0,0]=4 6945 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [0,1,0,0,1,0|2,0,0]=4 6946 B11R1.25 CC(CO)OCc1ccoc1 34a_100011215357_100012180447 [0,1,0,0,1,0|2,0,0]=4 6947 B11R1.25 CC(CO)OCc1ccsc1 34a_100011215551_100012180447 [0,1,0,0,1,0|2,0,0]=4 6948 B11R1.25 CC(CO)SCc1ccsc1 62a_100012180447_100011233845 [0,1,0,0,1,0|2,0,0]=4 6949 B11R1.25 CCC(O)COc1ccsc1 34a_100000106738_100011218378 [0,1,0,0,1,0|2,0,0]=4 6950 B11R1.25 CCC(O)COc1ccsc1 7a_100000106738_100011218378 [0,1,0,0,1,0|2,0,0]=4 6951 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [0,1,0,0,1,0|2,0,0]=4 6952 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [0,1,0,0,1,0|2,0,0]=4 6953 B11R1.25 CCC(O)CSc1cccs1 62a_100011215356_100011218378 [0,1,0,0,1,0|2,0,0]=4 6954 B11R1.25 CCC(O)CSc1cccs1 62a_100011218378_100011215356 [0,1,0,0,1,0|2,0,0]=4 6955 B11R1.25 CCC(O)CSc1ccoc1 62a_100011215275_100011218378 [0,1,0,0,1,0|2,0,0]=4 6956 B11R1.25 CCC(O)CSc1ccoc1 62a_100011218378_100011215275 [0,1,0,0,1,0|2,0,0]=4 6957 B11R1.25 CCC(O)CSc1ccsc1 62a_100000738268_100011218378 [0,1,0,0,1,0|2,0,0]=4 6958 B11R1.25 CCC(O)CSc1ccsc1 62a_100011218378_100000738268 [0,1,0,0,1,0|2,0,0]=4 6959 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,1,0,0,1,0|2,0,0]=4 6960 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,1,0,0,1,0|2,0,0]=4 6961 B11R1.25 COC(C)SCc1ccsc1 62a_100009879195_100011233845 [0,1,0,0,1,0|2,0,0]=4 6962 B11R1.25 COC(C)SCc1ccsc1 62a_100011261437_100009879195 [0,1,0,0,1,0|2,0,0]=4 6963 B11R1.25 C[C@@H](CO)COc1ccsc1 34a_100000106738_100000059175 [0,1,0,0,1,0|2,0,0]=4 6964 B11R1.25 C[C@@H](CO)COc1ccsc1 7a_100000106738_100000059175 [0,1,0,0,1,0|2,0,0]=4 6965 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100000059175_100009814098 [0,1,0,0,1,0|2,0,0]=4 6966 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100009814098_100000059175 [0,1,0,0,1,0|2,0,0]=4 6967 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100000059175_100011215356 [0,1,0,0,1,0|2,0,0]=4 6968 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100011215356_100000059175 [0,1,0,0,1,0|2,0,0]=4 6969 B11R1.25 C[C@@H](CO)CSc1ccoc1 62a_100000059175_100011215275 [0,1,0,0,1,0|2,0,0]=4 6970 B11R1.25 C[C@@H](CO)CSc1ccoc1 62a_100011215275_100000059175 [0,1,0,0,1,0|2,0,0]=4 6971 B11R1.25 C[C@@H](CO)CSc1ccsc1 62a_100000059175_100000738268 [0,1,0,0,1,0|2,0,0]=4 6972 B11R1.25 C[C@@H](CO)CSc1ccsc1 62a_100000738268_100000059175 [0,1,0,0,1,0|2,0,0]=4 6973 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,1,0,0,1,0|2,0,0]=4 6974 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,1,0,0,1,0|2,0,0]=4 6975 B11R1.25 C[C@H](CO)NCc1cccs1 207a_100000737577_100000209959 [0,1,0,0,1,0|2,0,0]=4 6976 B11R1.25 C[C@H](CO)NCc1cccs1 270004a_100000737577_100000209959 [0,1,0,0,1,0|2,0,0]=4 6977 B11R1.25 C[C@H](CO)NCc1ccoc1 207a_100000737577_100011215517 [0,1,0,0,1,0|2,0,0]=4 6978 B11R1.25 C[C@H](CO)NCc1ccoc1 270004a_100000737577_100011215517 [0,1,0,0,1,0|2,0,0]=4 6979 B11R1.25 C[C@H](CO)NCc1ccsc1 207a_100000737577_100000188534 [0,1,0,0,1,0|2,0,0]=4 6980 B11R1.25 C[C@H](CO)NCc1ccsc1 2230a_100000737577_100011261437 [0,1,0,0,1,0|2,0,0]=4 6981 B11R1.25 C[C@H](CO)NCc1ccsc1 270004a_100000737577_100000188534 [0,1,0,0,1,0|2,0,0]=4 6982 B11R1.25 C[C@H](CO)SCc1ccsc1 62a_100011261437_100016084084 [0,1,0,0,1,0|2,0,0]=4 6983 B11R1.25 C[C@H](CO)SCc1ccsc1 62a_100016084084_100011233845 [0,1,0,0,1,0|2,0,0]=4 6984 B11R1.25 OCC(O)COc1ccsc1 34a_100000106738_100011219619 [0,1,0,0,1,0|2,0,0]=4 6985 B11R1.25 OCC(O)COc1ccsc1 7a_100000106738_100011219619 [0,1,0,0,1,0|2,0,0]=4 6986 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [0,1,0,0,1,0|2,0,0]=4 6987 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [0,1,0,0,1,0|2,0,0]=4 6988 B11R1.25 OCC(O)CSc1cccs1 62a_100011215356_100011219619 [0,1,0,0,1,0|2,0,0]=4 6989 B11R1.25 OCC(O)CSc1cccs1 62a_100011219619_100011215356 [0,1,0,0,1,0|2,0,0]=4 6990 B11R1.25 OCC(O)CSc1ccoc1 62a_100011215275_100011219619 [0,1,0,0,1,0|2,0,0]=4 6991 B11R1.25 OCC(O)CSc1ccoc1 62a_100011219619_100011215275 [0,1,0,0,1,0|2,0,0]=4 6992 B11R1.25 OCC(O)CSc1ccsc1 62a_100000738268_100011219619 [0,1,0,0,1,0|2,0,0]=4 6993 B11R1.25 OCC(O)CSc1ccsc1 62a_100011219619_100000738268 [0,1,0,0,1,0|2,0,0]=4 6994 B11R1.25 OC[C@H](O)COc1ccsc1 34a_100000106738_100009815848 [0,1,0,0,1,0|2,0,0]=4 6995 B11R1.25 OC[C@H](O)COc1ccsc1 7a_100000106738_100009815848 [0,1,0,0,1,0|2,0,0]=4 6996 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [0,1,0,0,1,0|2,0,0]=4 6997 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [0,1,0,0,1,0|2,0,0]=4 6998 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100009815848_100011215356 [0,1,0,0,1,0|2,0,0]=4 6999 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100011215356_100009815848 [0,1,0,0,1,0|2,0,0]=4 7000 B11R1.25 OC[C@H](O)CSc1ccoc1 62a_100009815848_100011215275 [0,1,0,0,1,0|2,0,0]=4 7001 B11R1.25 OC[C@H](O)CSc1ccoc1 62a_100011215275_100009815848 [0,1,0,0,1,0|2,0,0]=4 7002 B11R1.25 OC[C@H](O)CSc1ccsc1 62a_100000738268_100009815848 [0,1,0,0,1,0|2,0,0]=4 7003 B11R1.25 OC[C@H](O)CSc1ccsc1 62a_100009815848_100000738268 [0,1,0,0,1,0|2,0,0]=4 7004 B11R1.25 O[C@@H](CF)COc1ccsc1 34a_100000106738_100015614560 [0,1,0,0,1,0|2,0,0]=4 7005 B11R1.25 O[C@@H](CF)COc1ccsc1 7a_100000106738_100015614560 [0,1,0,0,1,0|2,0,0]=4 7006 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100009814098_100015614560 [0,1,0,0,1,0|2,0,0]=4 7007 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100015614560_100009814098 [0,1,0,0,1,0|2,0,0]=4 7008 B11R1.25 O[C@@H](CF)CSc1cccs1 62a_100011215356_100015614560 [0,1,0,0,1,0|2,0,0]=4 7009 B11R1.25 O[C@@H](CF)CSc1cccs1 62a_100015614560_100011215356 [0,1,0,0,1,0|2,0,0]=4 7010 B11R1.25 O[C@@H](CF)CSc1ccoc1 62a_100011215275_100015614560 [0,1,0,0,1,0|2,0,0]=4 7011 B11R1.25 O[C@@H](CF)CSc1ccoc1 62a_100015614560_100011215275 [0,1,0,0,1,0|2,0,0]=4 7012 B11R1.25 O[C@@H](CF)CSc1ccsc1 62a_100000738268_100015614560 [0,1,0,0,1,0|2,0,0]=4 7013 B11R1.25 O[C@@H](CF)CSc1ccsc1 62a_100015614560_100000738268 [0,1,0,0,1,0|2,0,0]=4 7014 B11R1.35 C[C@@H](O)C(=O)Cc1ccsc1 1458a_100000717761_100011233845 [0,1,0,0,1,0|1,0,1]=4 7015 B11R1.35 C[C@H](O)C(=O)Cc1ccsc1 1458a_217856618621_100011233845 [0,1,0,0,1,0|1,0,1]=4 7016 B11R1.75 CC(O)CSc1ccc(s1)Br 62a_100010197418_100011218427 [0,1,0,0,1,0|2,0,0]=4 7017 B11R1.75 CC(O)CSc1ccc(s1)Br 62a_100011218427_100010197418 [0,1,0,0,1,0|2,0,0]=4 7018 B11R1.75 C[C@@H](O)CSc1ccc(s1)Br 62a_100009817552_100010197418 [0,1,0,0,1,0|2,0,0]=4 7019 B11R1.75 C[C@@H](O)CSc1ccc(s1)Br 62a_100010197418_100009817552 [0,1,0,0,1,0|2,0,0]=4 7020 B11R1.75 Cc1cc(cs1)SCC(C)O 62a_100000759034_100011218427 [0,1,0,0,1,0|2,0,0]=4 7021 B11R1.75 Cc1cc(cs1)SCC(C)O 62a_100011218427_100000759034 [0,1,0,0,1,0|2,0,0]=4 7022 B11R1.75 Cc1cc(cs1)SC[C@@H](C)O 62a_100000759034_100009817552 [0,1,0,0,1,0|2,0,0]=4 7023 B11R1.75 Cc1cc(cs1)SC[C@@H](C)O 62a_100009817552_100000759034 [0,1,0,0,1,0|2,0,0]=4 7024 B11R1.75 Cc1ccc(s1)SCC(C)O 62a_100000031368_100011218427 [0,1,0,0,1,0|2,0,0]=4 7025 B11R1.75 Cc1ccc(s1)SCC(C)O 62a_100011218427_100000031368 [0,1,0,0,1,0|2,0,0]=4 7026 B11R1.75 Cc1ccc(s1)SC[C@@H](C)O 62a_100000031368_100009817552 [0,1,0,0,1,0|2,0,0]=4 7027 B11R1.75 Cc1ccc(s1)SC[C@@H](C)O 62a_100009817552_100000031368 [0,1,0,0,1,0|2,0,0]=4 7028 B11R1.75 Cc1csc(c1)SCC(C)O 62a_100009876951_100011218427 [0,1,0,0,1,0|2,0,0]=4 7029 B11R1.75 Cc1csc(c1)SCC(C)O 62a_100011218427_100009876951 [0,1,0,0,1,0|2,0,0]=4 7030 B11R1.75 Cc1csc(c1)SC[C@@H](C)O 62a_100009817552_100009876951 [0,1,0,0,1,0|2,0,0]=4 7031 B11R1.75 Cc1csc(c1)SC[C@@H](C)O 62a_100009876951_100009817552 [0,1,0,0,1,0|2,0,0]=4 7032 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,1,0,0,1,0|2,0,0]=4 7033 B11R1.77 CC(C)C[C@H](N)c1cccs1 271570a_100015190218_100011215356 [0,1,0,0,1,0|2,0,0]=4 7034 B11R1.77 CC(C)C[C@H](N)c1ccoc1 271570a_100015190218_100011215275 [0,1,0,0,1,0|2,0,0]=4 7035 B11R1.77 CC(C)C[C@H](N)c1ccsc1 271570a_100015190218_100000738268 [0,1,0,0,1,0|2,0,0]=4 7036 B11R1.90 CC(O)CSc1cscc1Br 62a_100010143727_100011218427 [0,1,0,0,1,0|2,0,0]=4 7037 B11R1.90 CC(O)CSc1cscc1Br 62a_100011218427_100010143727 [0,1,0,0,1,0|2,0,0]=4 7038 B11R1.90 CC(O)CSc1sccc1Br 62a_100011218427_100012361411 [0,1,0,0,1,0|2,0,0]=4 7039 B11R1.90 CC(O)CSc1sccc1Br 62a_100012361411_100011218427 [0,1,0,0,1,0|2,0,0]=4 7040 B11R1.90 C[C@@H](O)CSc1cscc1Br 62a_100009817552_100010143727 [0,1,0,0,1,0|2,0,0]=4 7041 B11R1.90 C[C@@H](O)CSc1cscc1Br 62a_100010143727_100009817552 [0,1,0,0,1,0|2,0,0]=4 7042 B11R1.90 C[C@@H](O)CSc1sccc1Br 62a_100009817552_100012361411 [0,1,0,0,1,0|2,0,0]=4 7043 B11R1.90 C[C@@H](O)CSc1sccc1Br 62a_100012361411_100009817552 [0,1,0,0,1,0|2,0,0]=4 7044 B11R1.90 Cc1ccsc1SCC(C)O 62a_100010247149_100011218427 [0,1,0,0,1,0|2,0,0]=4 7045 B11R1.90 Cc1ccsc1SCC(C)O 62a_100011218427_100010247149 [0,1,0,0,1,0|2,0,0]=4 7046 B11R1.90 Cc1ccsc1SC[C@@H](C)O 62a_100009817552_100010247149 [0,1,0,0,1,0|2,0,0]=4 7047 B11R1.90 Cc1ccsc1SC[C@@H](C)O 62a_100010247149_100009817552 [0,1,0,0,1,0|2,0,0]=4 7048 B11R1.90 Cc1cscc1SCC(C)O 62a_100000759966_100011218427 [0,1,0,0,1,0|2,0,0]=4 7049 B11R1.90 Cc1cscc1SCC(C)O 62a_100011218427_100000759966 [0,1,0,0,1,0|2,0,0]=4 7050 B11R1.90 Cc1cscc1SC[C@@H](C)O 62a_100000759966_100009817552 [0,1,0,0,1,0|2,0,0]=4 7051 B11R1.90 Cc1cscc1SC[C@@H](C)O 62a_100009817552_100000759966 [0,1,0,0,1,0|2,0,0]=4 7052 B11R1.90 Cc1sccc1SCC(C)O 62a_100000684487_100011218427 [0,1,0,0,1,0|2,0,0]=4 7053 B11R1.90 Cc1sccc1SCC(C)O 62a_100011218427_100000684487 [0,1,0,0,1,0|2,0,0]=4 7054 B11R1.90 Cc1sccc1SC[C@@H](C)O 62a_100000684487_100009817552 [0,1,0,0,1,0|2,0,0]=4 7055 B11R1.90 Cc1sccc1SC[C@@H](C)O 62a_100009817552_100000684487 [0,1,0,0,1,0|2,0,0]=4 7056 B11R1.510 CC(C)(O)COc1ccsc1 34a_100000106738_100000764493 [0,1,0,0,1,0|2,0,0]=4 7057 B11R1.510 CC(C)(O)COc1ccsc1 7a_100000106738_100000764493 [0,1,0,0,1,0|2,0,0]=4 7058 B11R1.510 CC(C)(O)CSc1ccco1 62a_100000764493_100009814098 [0,1,0,0,1,0|2,0,0]=4 7059 B11R1.510 CC(C)(O)CSc1ccco1 62a_100009814098_100000764493 [0,1,0,0,1,0|2,0,0]=4 7060 B11R1.510 CC(C)(O)CSc1cccs1 62a_100000764493_100011215356 [0,1,0,0,1,0|2,0,0]=4 7061 B11R1.510 CC(C)(O)CSc1cccs1 62a_100011215356_100000764493 [0,1,0,0,1,0|2,0,0]=4 7062 B11R1.510 CC(C)(O)CSc1ccoc1 62a_100000764493_100011215275 [0,1,0,0,1,0|2,0,0]=4 7063 B11R1.510 CC(C)(O)CSc1ccoc1 62a_100011215275_100000764493 [0,1,0,0,1,0|2,0,0]=4 7064 B11R1.510 CC(C)(O)CSc1ccsc1 62a_100000738268_100000764493 [0,1,0,0,1,0|2,0,0]=4 7065 B11R1.510 CC(C)(O)CSc1ccsc1 62a_100000764493_100000738268 [0,1,0,0,1,0|2,0,0]=4 7066 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,1,0,0,0,1|1,0,1]=4 7067 B13R1.45 C=C(C)CCN(C)c1ccccc1 2230a_100000210012_100000730704 [0,1,0,0,0,1|1,0,1]=4 7068 B13R1.45 C=C(C)CCN(C)c1ccccc1 269982a_100000210012_100000730704 [0,1,0,0,0,1|1,0,1]=4 7069 B13R1.45 C=C(C)CCN(C)c1ccccc1 34a_100000210012_100000730704 [0,1,0,0,0,1|1,0,1]=4 7070 B13R1.45 C=C(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748629 [0,1,0,0,0,1|1,0,1]=4 7071 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,1,0,0,0,1|1,0,1]=4 7072 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,1,0,0,0,1|1,0,1]=4 7073 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,1,0,0,0,1|1,0,1]=4 7074 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000230085_100000211660 [0,1,0,0,0,1|1,0,1]=4 7075 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000748629_100000230085 [0,1,0,0,0,1|1,0,1]=4 7076 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,1,0,0,0,1|0,0,2]=4 7077 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [0,1,0,0,0,1|0,0,2]=4 7078 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,1,0,0,0,1|0,0,2]=4 7079 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,1,0,0,0,1|0,0,2]=4 7080 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,1,0,0,0,1|0,0,2]=4 7081 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,1,0,0,0,1|0,0,2]=4 7082 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,1,0,0,0,1|0,0,2]=4 7083 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,1,0,0,0,1|0,0,2]=4 7084 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,1,0,0,0,1|0,0,2]=4 7085 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,1,0,0,0,1|0,0,2]=4 7086 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,1,0,0,0,1|1,0,0]=3 7087 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [0,1,0,0,0,1|1,0,0]=3 7088 B13R1.45 CC(C)CCN(C)c1ccccc1 2230a_100000210012_100000210312 [0,1,0,0,0,1|1,0,0]=3 7089 B13R1.45 CC(C)CCN(C)c1ccccc1 269982a_100000210012_100000210312 [0,1,0,0,0,1|1,0,0]=3 7090 B13R1.45 CC(C)CCN(C)c1ccccc1 34a_100000210012_100000210312 [0,1,0,0,0,1|1,0,0]=3 7091 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [0,1,0,0,0,1|1,0,1]=4 7092 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [0,1,0,0,0,1|1,0,1]=4 7093 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [0,1,0,0,0,1|1,0,1]=4 7094 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [0,1,0,0,0,1|1,0,1]=4 7095 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,1,0,0,0,1|1,0,0]=3 7096 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,1,0,0,0,1|1,0,0]=3 7097 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,1,0,0,0,1|1,0,0]=3 7098 B13R1.45 CC(C)CNC(C)c1ccccn1 2230a_100000181244_100000210760 [0,1,0,0,0,1|2,0,0]=4 7099 B13R1.45 CC(C)CNC(C)c1ccccn1 269862a_100000210953_100000210467 [0,1,0,0,0,1|2,0,0]=4 7100 B13R1.45 CC(C)CNC(C)c1ccccn1 270004a_100000181244_100000210432 [0,1,0,0,0,1|2,0,0]=4 7101 B13R1.45 CC(C)CNC(C)c1cccnc1 2230a_100000195435_100000210760 [0,1,0,0,0,1|2,0,0]=4 7102 B13R1.45 CC(C)CNC(C)c1cccnc1 269862a_100000210953_100000210468 [0,1,0,0,0,1|2,0,0]=4 7103 B13R1.45 CC(C)CNC(C)c1cccnc1 270004a_100000195435_100000210432 [0,1,0,0,0,1|2,0,0]=4 7104 B13R1.45 CC(C)CNC(C)c1ccncc1 2230a_100000181269_100000210760 [0,1,0,0,0,1|2,0,0]=4 7105 B13R1.45 CC(C)CNC(C)c1ccncc1 269862a_100000210953_100000185792 [0,1,0,0,0,1|2,0,0]=4 7106 B13R1.45 CC(C)CNC(C)c1ccncc1 270004a_100000181269_100000210432 [0,1,0,0,0,1|2,0,0]=4 7107 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,1,0,0,0,1|1,0,0]=3 7108 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,1,0,0,0,1|1,0,0]=3 7109 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,1,0,0,0,1|1,0,0]=3 7110 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,1,0,0,0,1|1,0,0]=3 7111 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,1,0,0,0,1|1,0,0]=3 7112 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,1,0,0,0,1|1,0,0]=3 7113 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,1,0,0,0,1|1,0,0]=3 7114 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [0,1,0,0,0,1|1,0,0]=3 7115 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [0,1,0,0,0,1|1,0,0]=3 7116 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [0,1,0,0,0,1|1,0,0]=3 7117 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [0,1,0,0,0,1|1,0,0]=3 7118 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,1,0,0,0,1|1,0,0]=3 7119 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,1,0,0,0,1|1,0,0]=3 7120 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,1,0,0,0,1|1,0,0]=3 7121 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [0,1,0,0,0,1|2,0,0]=4 7122 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [0,1,0,0,0,1|2,0,0]=4 7123 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,1,0,0,0,1|1,0,0]=3 7124 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,1,0,0,0,1|1,0,0]=3 7125 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,1,0,0,0,1|1,0,0]=3 7126 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,1,0,0,0,1|1,0,0]=3 7127 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,1,0,0,0,1|1,0,0]=3 7128 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,1,0,0,0,1|1,0,0]=3 7129 B13R1.45 CC(C)OCN(C)c1ccccc1 2230a_100000210012_100000709892 [0,1,0,0,0,1|2,0,0]=4 7130 B13R1.45 CC(C)OCN(C)c1ccccc1 269982a_100000210012_100000709892 [0,1,0,0,0,1|2,0,0]=4 7131 B13R1.45 CC(C)OCN(C)c1ccccc1 34a_100000210012_100000709892 [0,1,0,0,0,1|2,0,0]=4 7132 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,1,0,0,0,1|1,0,0]=3 7133 B13R1.45 CC(C)OC[C@@H](N)c1ccncc1 34a_100138412524_100000210206 [0,1,0,0,0,1|2,0,0]=4 7134 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,1,0,0,0,1|1,0,0]=3 7135 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000210206_100000211460 [0,1,0,0,0,1|1,0,1]=4 7136 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000210206 [0,1,0,0,0,1|1,0,1]=4 7137 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [0,1,0,0,0,1|1,0,0]=3 7138 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [0,1,0,0,0,1|1,0,0]=3 7139 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,1,0,0,0,1|1,0,0]=3 7140 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,1,0,0,0,1|1,0,0]=3 7141 B13R1.45 CC(C)SCS(=O)c1ccccc1 62a_100000210206_100000031784 [0,1,0,0,0,1|2,0,0]=4 7142 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,1,0,0,0,1|1,0,0]=3 7143 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,1,0,0,0,1|1,0,0]=3 7144 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [0,1,0,0,0,1|2,0,0]=4 7145 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,1,0,0,0,1|1,0,0]=3 7146 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,1,0,0,0,1|1,0,1]=4 7147 B13R1.45 CC(NCC(F)F)c1ccccc1 34a_100000765723_100000211855 [0,1,0,0,0,1|2,0,0]=4 7148 B13R1.45 CC(NC[C@@H](C)O)c1ccccn1 2230a_100000181244_100009817552 [0,1,0,0,0,1|1,0,0]=3 7149 B13R1.45 CC(NC[C@@H](C)O)c1cccnc1 2230a_100000195435_100009817552 [0,1,0,0,0,1|1,0,0]=3 7150 B13R1.45 CC(NC[C@@H](C)O)c1ccncc1 2230a_100000181269_100009817552 [0,1,0,0,0,1|1,0,0]=3 7151 B13R1.45 CC(NC[C@@H](C)O)c1ncccn1 2230a_100020641698_100009817552 [0,1,0,0,0,1|2,0,0]=4 7152 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,1,0,0,0,1|0,0,0]=2 7153 B13R1.45 CC(O)CCN(C)c1ccccc1 2230a_100000210012_100012276601 [0,1,0,0,0,1|0,0,0]=2 7154 B13R1.45 CC(O)CCN(C)c1ccccc1 269982a_100000210012_100012276601 [0,1,0,0,0,1|0,0,0]=2 7155 B13R1.45 CC(O)CCN(C)c1ccccc1 34a_100000210012_100012276601 [0,1,0,0,0,1|0,0,0]=2 7156 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [0,1,0,0,0,1|0,0,1]=3 7157 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [0,1,0,0,0,1|0,0,1]=3 7158 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [0,1,0,0,0,1|0,0,1]=3 7159 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,1,0,0,0,1|0,0,0]=2 7160 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,1,0,0,0,1|0,0,0]=2 7161 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,1|0,0,0]=2 7162 B13R1.45 CC(O)CNC(C)c1ccccn1 2230a_100000181244_100011218427 [0,1,0,0,0,1|1,0,0]=3 7163 B13R1.45 CC(O)CNC(C)c1ccccn1 269862a_100000210904_100000210467 [0,1,0,0,0,1|1,0,0]=3 7164 B13R1.45 CC(O)CNC(C)c1cccnc1 2230a_100000195435_100011218427 [0,1,0,0,0,1|1,0,0]=3 7165 B13R1.45 CC(O)CNC(C)c1cccnc1 269862a_100000210904_100000210468 [0,1,0,0,0,1|1,0,0]=3 7166 B13R1.45 CC(O)CNC(C)c1cccnn1 269862a_100000210904_100009866853 [0,1,0,0,0,1|2,0,0]=4 7167 B13R1.45 CC(O)CNC(C)c1ccncc1 2230a_100000181269_100011218427 [0,1,0,0,0,1|1,0,0]=3 7168 B13R1.45 CC(O)CNC(C)c1ccncc1 269862a_100000210904_100000185792 [0,1,0,0,0,1|1,0,0]=3 7169 B13R1.45 CC(O)CNC(C)c1ccnnc1 269862a_100000210904_100012182992 [0,1,0,0,0,1|2,0,0]=4 7170 B13R1.45 CC(O)CNC(C)c1cnccn1 2230a_100000210904_200000703233 [0,1,0,0,0,1|2,0,0]=4 7171 B13R1.45 CC(O)CNC(C)c1cnccn1 269862a_100000210904_100000751083 [0,1,0,0,0,1|2,0,0]=4 7172 B13R1.45 CC(O)CNC(C)c1cncnc1 269862a_100000210904_100000757475 [0,1,0,0,0,1|2,0,0]=4 7173 B13R1.45 CC(O)CNC(C)c1ncccn1 2230a_100020641698_100011218427 [0,1,0,0,0,1|2,0,0]=4 7174 B13R1.45 CC(O)CNC(C)c1ncccn1 270004a_100000210904_100011350828 [0,1,0,0,0,1|2,0,0]=4 7175 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,1,0,0,0,1|0,0,0]=2 7176 B13R1.45 CC(O)CN[C@H](C)c1cnccn1 2230a_100020589798_100011218427 [0,1,0,0,0,1|2,0,0]=4 7177 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,1,0,0,0,1|0,0,0]=2 7178 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,1,0,0,0,1|0,0,0]=2 7179 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,1,0,0,0,1|0,0,0]=2 7180 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,1,0,0,0,1|0,0,0]=2 7181 B13R1.45 CC(O)CSC(C)c1cnccn1 62a_100011218427_200000703233 [0,1,0,0,0,1|2,0,0]=4 7182 B13R1.45 CC(O)CSC(C)c1cnccn1 62a_200000703233_100011218427 [0,1,0,0,0,1|2,0,0]=4 7183 B13R1.45 CC(OCC(F)F)c1ccccc1 34a_100000743014_100000211855 [0,1,0,0,0,1|2,0,0]=4 7184 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,1,0,0,0,1|1,0,0]=3 7185 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,1,0,0,0,1|1,0,0]=3 7186 B13R1.45 CC(SCC(F)F)c1ccccc1 62a_100000230085_100011934356 [0,1,0,0,0,1|2,0,0]=4 7187 B13R1.45 CC(SCC(F)F)c1ccccc1 62a_100011934356_100000230085 [0,1,0,0,0,1|2,0,0]=4 7188 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,1,0,0,0,1|0,0,0]=2 7189 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,1,0,0,0,1|0,0,0]=2 7190 B13R1.45 CC(SC[C@@H](C)O)c1cnccn1 62a_100009817552_200000703233 [0,1,0,0,0,1|2,0,0]=4 7191 B13R1.45 CC(SC[C@@H](C)O)c1cnccn1 62a_200000703233_100009817552 [0,1,0,0,0,1|2,0,0]=4 7192 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [0,1,0,0,0,1|2,0,0]=4 7193 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [0,1,0,0,0,1|2,0,0]=4 7194 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,1,0,0,0,1|2,0,0]=4 7195 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,1,0,0,0,1|2,0,0]=4 7196 B13R1.45 CN(C)CCN(C)c1ccccc1 2230a_106657271745_200000210301 [0,1,0,0,0,1|2,0,0]=4 7197 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_100000210012_100000755713 [0,1,0,0,0,1|2,0,0]=4 7198 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_106657271745_200000210301 [0,1,0,0,0,1|2,0,0]=4 7199 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_200000219566_200000210301 [0,1,0,0,0,1|2,0,0]=4 7200 B13R1.45 CN(C)CCN([13CH3])c1ccccc1 269982a_200000219566_200025704644 [0,1,0,0,0,1|2,0,0]=4 7201 B13R1.45 CN(C)CCS(=O)c1ccccc1 2230a_100102631434_100000740319 [0,1,0,0,0,1|2,0,0]=4 7202 B13R1.45 CN(C)CCS(=O)c1ccccc1 269982a_100102631434_100000740319 [0,1,0,0,0,1|2,0,0]=4 7203 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,1,0,0,0,1|2,0,0]=4 7204 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,1,0,0,0,1|2,0,0]=4 7205 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,1,0,0,0,1|2,0,0]=4 7206 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,1,0,0,0,1|2,0,0]=4 7207 B13R1.45 CN([13CH3])CCN(C)c1ccccc1 2230a_106657271745_200025704644 [0,1,0,0,0,1|2,0,0]=4 7208 B13R1.45 CN([13CH3])CCN(C)c1ccccc1 269982a_106657271745_200025704644 [0,1,0,0,0,1|2,0,0]=4 7209 B13R1.45 C[C@@H](NCC(F)F)c1ccccc1 2230a_100000751104_100011934356 [0,1,0,0,0,1|2,0,0]=4 7210 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,1,0,0,0,1|0,0,0]=2 7211 B13R1.45 C[C@@H](O)CN[C@H](C)c1cnccn1 2230a_100020589798_100009817552 [0,1,0,0,0,1|2,0,0]=4 7212 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,1,0,0,0,1|0,0,0]=2 7213 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,1,0,0,0,1|0,0,0]=2 7214 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 34a_100000761318_100011934356 [0,1,0,0,0,1|2,0,0]=4 7215 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 7a_100000761318_100011934356 [0,1,0,0,0,1|2,0,0]=4 7216 B13R1.149 C=C(C)CCNc1cccc(c1)Br 34a_100000210019_100000730704 [0,1,0,0,0,1|1,0,1]=4 7217 B13R1.149 C=C(C)CCNc1cccc(c1)C 2230a_100000188690_100000730704 [0,1,0,0,0,1|1,0,1]=4 7218 B13R1.149 C=C(C)CCNc1cccc(c1)C 34a_100000188690_100000730704 [0,1,0,0,0,1|1,0,1]=4 7219 B13R1.149 C=C(C)CCNc1cccc(c1)Cl 34a_100000185859_100000730704 [0,1,0,0,0,1|1,0,1]=4 7220 B13R1.149 C=C(C)CCNc1cccc(c1)F 34a_100000210047_100000730704 [0,1,0,0,0,1|1,0,1]=4 7221 B13R1.149 C=C(C)CCNc1cccc(c1)I 34a_100000211102_100000730704 [0,1,0,0,0,1|1,0,1]=4 7222 B13R1.149 C=C(C)CCNc1cccc(c1)O 34a_100000210217_100000730704 [0,1,0,0,0,1|1,0,1]=4 7223 B13R1.149 C=C(C)CCOc1cccc(c1)Br 34a_100000210342_100000730704 [0,1,0,0,0,1|1,0,1]=4 7224 B13R1.149 C=C(C)CCOc1cccc(c1)Br 7a_100000210342_100000730704 [0,1,0,0,0,1|1,0,1]=4 7225 B13R1.149 C=C(C)CCOc1cccc(c1)C 34a_100000210337_100000730704 [0,1,0,0,0,1|1,0,1]=4 7226 B13R1.149 C=C(C)CCOc1cccc(c1)C 7a_100000210337_100000730704 [0,1,0,0,0,1|1,0,1]=4 7227 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 34a_100000210295_100000730704 [0,1,0,0,0,1|1,0,1]=4 7228 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 7a_100000210295_100000730704 [0,1,0,0,0,1|1,0,1]=4 7229 B13R1.149 C=C(C)CCOc1cccc(c1)F 34a_100000210426_100000730704 [0,1,0,0,0,1|1,0,1]=4 7230 B13R1.149 C=C(C)CCOc1cccc(c1)F 7a_100000210426_100000730704 [0,1,0,0,0,1|1,0,1]=4 7231 B13R1.149 C=C(C)CCOc1cccc(c1)I 34a_100000211634_100000730704 [0,1,0,0,0,1|1,0,1]=4 7232 B13R1.149 C=C(C)CCOc1cccc(c1)I 7a_100000211634_100000730704 [0,1,0,0,0,1|1,0,1]=4 7233 B13R1.149 C=C(C)CCOc1cccc(c1)N 34a_100000210217_100000730704 [0,1,0,0,0,1|1,0,1]=4 7234 B13R1.149 C=C(C)CCSc1cccc(c1)Br 62a_100000691529_100000730704 [0,1,0,0,0,1|1,0,1]=4 7235 B13R1.149 C=C(C)CCSc1cccc(c1)Br 62a_100000730704_100000691529 [0,1,0,0,0,1|1,0,1]=4 7236 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100000730704_100011215228 [0,1,0,0,0,1|1,0,1]=4 7237 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100011215228_100000730704 [0,1,0,0,0,1|1,0,1]=4 7238 B13R1.149 C=C(C)CCSc1cccc(c1)Cl 62a_100000699651_100000730704 [0,1,0,0,0,1|1,0,1]=4 7239 B13R1.149 C=C(C)CCSc1cccc(c1)Cl 62a_100000730704_100000699651 [0,1,0,0,0,1|1,0,1]=4 7240 B13R1.149 C=C(C)CCSc1cccc(c1)F 62a_100000685547_100000730704 [0,1,0,0,0,1|1,0,1]=4 7241 B13R1.149 C=C(C)CCSc1cccc(c1)F 62a_100000730704_100000685547 [0,1,0,0,0,1|1,0,1]=4 7242 B13R1.149 C=C(C)CCSc1cccc(c1)N 62a_100000210019_100000730704 [0,1,0,0,0,1|1,0,1]=4 7243 B13R1.149 C=C(C)CCSc1cccc(c1)N 62a_100000730704_100000210019 [0,1,0,0,0,1|1,0,1]=4 7244 B13R1.149 C=C(C)CCSc1cccc(c1)O 62a_100000730704_100000211634 [0,1,0,0,0,1|1,0,1]=4 7245 B13R1.149 C=C(C)CCSc1cccc(c1)[S] 62a_100000730704_114929384022 [0,1,0,0,0,1|1,0,1]=4 7246 B13R1.149 C=C(C)CCSc1cccc(c1)[S] 62a_114929384022_100000730704 [0,1,0,0,0,1|1,0,1]=4 7247 B13R1.149 C=C(C)CNCc1cccc(c1)Br 2230a_100000174977_100000748629 [0,1,0,0,0,1|1,0,1]=4 7248 B13R1.149 C=C(C)CNCc1cccc(c1)Br 34a_100000174977_100000748629 [0,1,0,0,0,1|1,0,1]=4 7249 B13R1.149 C=C(C)CNCc1cccc(c1)C 2230a_100000185548_100000748629 [0,1,0,0,0,1|1,0,1]=4 7250 B13R1.149 C=C(C)CNCc1cccc(c1)C 34a_100000185548_100000748629 [0,1,0,0,0,1|1,0,1]=4 7251 B13R1.149 C=C(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000748629 [0,1,0,0,0,1|1,0,1]=4 7252 B13R1.149 C=C(C)CNCc1cccc(c1)Cl 34a_100000174878_100000748629 [0,1,0,0,0,1|1,0,1]=4 7253 B13R1.149 C=C(C)CNCc1cccc(c1)F 2230a_100000174948_100000748629 [0,1,0,0,0,1|1,0,1]=4 7254 B13R1.149 C=C(C)CNCc1cccc(c1)F 34a_100000174948_100000748629 [0,1,0,0,0,1|1,0,1]=4 7255 B13R1.149 C=C(C)CNCc1cccc(c1)I 2230a_100000106179_100000748629 [0,1,0,0,0,1|1,0,1]=4 7256 B13R1.149 C=C(C)CNCc1cccc(c1)I 34a_100000106179_100000748629 [0,1,0,0,0,1|1,0,1]=4 7257 B13R1.149 C=C(C)CNCc1cccc(c1)O 2230a_100000743036_100000748629 [0,1,0,0,0,1|1,0,1]=4 7258 B13R1.149 C=C(C)CNCc1cccc(c1)O 34a_100000743036_100000748629 [0,1,0,0,0,1|1,0,1]=4 7259 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000210245_100000698116 [0,1,0,0,0,1|1,0,1]=4 7260 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000687537_100000748629 [0,1,0,0,0,1|1,0,1]=4 7261 B13R1.149 C=C(C)COCc1cccc(c1)Br 7a_100000687537_100000748629 [0,1,0,0,0,1|1,0,1]=4 7262 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100000210245_100000211840 [0,1,0,0,0,1|1,0,1]=4 7263 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100011217746_100000748629 [0,1,0,0,0,1|1,0,1]=4 7264 B13R1.149 C=C(C)COCc1cccc(c1)C 7a_100011217746_100000748629 [0,1,0,0,0,1|1,0,1]=4 7265 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000210245_100000187163 [0,1,0,0,0,1|1,0,1]=4 7266 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000241301_100000748629 [0,1,0,0,0,1|1,0,1]=4 7267 B13R1.149 C=C(C)COCc1cccc(c1)Cl 7a_100000241301_100000748629 [0,1,0,0,0,1|1,0,1]=4 7268 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210245_100000187166 [0,1,0,0,0,1|1,0,1]=4 7269 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210976_100000748629 [0,1,0,0,0,1|1,0,1]=4 7270 B13R1.149 C=C(C)COCc1cccc(c1)F 7a_100000210976_100000748629 [0,1,0,0,0,1|1,0,1]=4 7271 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100000210245_100011218688 [0,1,0,0,0,1|1,0,1]=4 7272 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100011215336_100000748629 [0,1,0,0,0,1|1,0,1]=4 7273 B13R1.149 C=C(C)COCc1cccc(c1)I 7a_100011215336_100000748629 [0,1,0,0,0,1|1,0,1]=4 7274 B13R1.149 C=C(C)COCc1cccc(c1)N 34a_100000211919_100000748629 [0,1,0,0,0,1|1,0,1]=4 7275 B13R1.149 C=C(C)COCc1cccc(c1)O 34a_100000210245_100011660834 [0,1,0,0,0,1|1,0,1]=4 7276 B13R1.149 C=C(C)CSCc1cccc(c1)Br 62a_100000211773_100000211660 [0,1,0,0,0,1|1,0,1]=4 7277 B13R1.149 C=C(C)CSCc1cccc(c1)Br 62a_100000748629_100000211773 [0,1,0,0,0,1|1,0,1]=4 7278 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000211840_100000211660 [0,1,0,0,0,1|1,0,1]=4 7279 B13R1.149 C=C(C)CSCc1cccc(c1)C 62a_100000748629_100000211840 [0,1,0,0,0,1|1,0,1]=4 7280 B13R1.149 C=C(C)CSCc1cccc(c1)Cl 62a_100000187163_100000211660 [0,1,0,0,0,1|1,0,1]=4 7281 B13R1.149 C=C(C)CSCc1cccc(c1)Cl 62a_100000748629_100000187163 [0,1,0,0,0,1|1,0,1]=4 7282 B13R1.149 C=C(C)CSCc1cccc(c1)F 62a_100000230114_100000211660 [0,1,0,0,0,1|1,0,1]=4 7283 B13R1.149 C=C(C)CSCc1cccc(c1)F 62a_100000748629_100000230114 [0,1,0,0,0,1|1,0,1]=4 7284 B13R1.149 C=C(C)CSCc1cccc(c1)I 62a_100000748629_100011218688 [0,1,0,0,0,1|1,0,1]=4 7285 B13R1.149 C=C(C)CSCc1cccc(c1)I 62a_100011218688_100000211660 [0,1,0,0,0,1|1,0,1]=4 7286 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100000748629_100011660834 [0,1,0,0,0,1|1,0,1]=4 7287 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100011660834_100000211660 [0,1,0,0,0,1|1,0,1]=4 7288 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,1,0,0,0,1|0,0,2]=4 7289 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,1,0,0,0,1|0,0,2]=4 7290 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,1,0,0,0,1|0,0,2]=4 7291 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000070787_100000183150 [0,1,0,0,0,1|0,0,2]=4 7292 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000183437_200000210301 [0,1,0,0,0,1|0,0,2]=4 7293 B13R1.149 CC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000053229 [0,1,0,0,0,1|0,0,2]=4 7294 B13R1.149 CC(=O)CCOc1cccc(c1)C 1458a_100000182325_200000210301 [0,1,0,0,0,1|0,0,2]=4 7295 B13R1.149 CC(=O)CCOc1cccc(c1)C 7a_100000210337_100000053229 [0,1,0,0,0,1|0,0,2]=4 7296 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000070787_100000181161 [0,1,0,0,0,1|0,0,2]=4 7297 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200000210301 [0,1,0,0,0,1|0,0,2]=4 7298 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000053229 [0,1,0,0,0,1|0,0,2]=4 7299 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000070787_100000739188 [0,1,0,0,0,1|0,0,2]=4 7300 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000737089_200000210301 [0,1,0,0,0,1|0,0,2]=4 7301 B13R1.149 CC(=O)CCOc1cccc(c1)F 7a_100000210426_100000053229 [0,1,0,0,0,1|0,0,2]=4 7302 B13R1.149 CC(=O)CCOc1cccc(c1)I 7a_100000211634_100000053229 [0,1,0,0,0,1|0,0,2]=4 7303 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000053229_100000691529 [0,1,0,0,0,1|0,0,2]=4 7304 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000053229 [0,1,0,0,0,1|0,0,2]=4 7305 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100000053229_100011215228 [0,1,0,0,0,1|0,0,2]=4 7306 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100011215228_100000053229 [0,1,0,0,0,1|0,0,2]=4 7307 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000053229_100000699651 [0,1,0,0,0,1|0,0,2]=4 7308 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000053229 [0,1,0,0,0,1|0,0,2]=4 7309 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000053229_100000685547 [0,1,0,0,0,1|0,0,2]=4 7310 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000685547_100000053229 [0,1,0,0,0,1|0,0,2]=4 7311 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000053229_100000210019 [0,1,0,0,0,1|0,0,2]=4 7312 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000210019_100000053229 [0,1,0,0,0,1|0,0,2]=4 7313 B13R1.149 CC(=O)CCSc1cccc(c1)O 62a_100000053229_100000211634 [0,1,0,0,0,1|0,0,2]=4 7314 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_100000053229_114929384022 [0,1,0,0,0,1|0,0,2]=4 7315 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000053229 [0,1,0,0,0,1|0,0,2]=4 7316 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [0,1,0,0,0,1|0,0,2]=4 7317 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,1,0,0,0,1|0,0,2]=4 7318 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [0,1,0,0,0,1|0,0,2]=4 7319 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [0,1,0,0,0,1|0,0,2]=4 7320 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [0,1,0,0,0,1|0,0,2]=4 7321 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [0,1,0,0,0,1|0,0,2]=4 7322 B13R1.149 CC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200000210301 [0,1,0,0,0,1|0,0,2]=4 7323 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [0,1,0,0,0,1|0,0,2]=4 7324 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [0,1,0,0,0,1|0,0,2]=4 7325 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [0,1,0,0,0,1|0,0,2]=4 7326 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [0,1,0,0,0,1|0,0,2]=4 7327 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [0,1,0,0,0,1|0,0,2]=4 7328 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [0,1,0,0,0,1|0,0,2]=4 7329 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [0,1,0,0,0,1|0,0,2]=4 7330 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [0,1,0,0,0,1|0,0,2]=4 7331 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [0,1,0,0,0,1|0,0,2]=4 7332 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [0,1,0,0,0,1|0,0,2]=4 7333 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [0,1,0,0,0,1|0,0,2]=4 7334 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [0,1,0,0,0,1|0,0,2]=4 7335 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [0,1,0,0,0,1|0,0,2]=4 7336 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [0,1,0,0,0,1|0,0,2]=4 7337 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [0,1,0,0,0,1|0,0,2]=4 7338 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [0,1,0,0,0,1|0,0,2]=4 7339 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [0,1,0,0,0,1|0,0,2]=4 7340 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [0,1,0,0,0,1|0,0,2]=4 7341 B13R1.149 CC(Br)COCc1cc(ccn1)Br 34a_100012180447_100010173614 [0,1,0,0,0,1|2,0,0]=4 7342 B13R1.149 CC(Br)COCc1cc(ccn1)Cl 34a_100012180447_100016988179 [0,1,0,0,0,1|2,0,0]=4 7343 B13R1.149 CC(Br)COCc1cccc(c1)Br 34a_100012180447_100000698116 [0,1,0,0,0,1|1,0,0]=3 7344 B13R1.149 CC(Br)COCc1cccc(c1)Cl 34a_100012180447_100000187163 [0,1,0,0,0,1|1,0,0]=3 7345 B13R1.149 CC(Br)COCc1cccc(c1)F 34a_100012180447_100000187166 [0,1,0,0,0,1|1,0,0]=3 7346 B13R1.149 CC(Br)COCc1cccc(c1)I 34a_100012180447_100011218688 [0,1,0,0,0,1|1,0,0]=3 7347 B13R1.149 CC(Br)COCc1cccc(c1)O 34a_100012180447_100011660834 [0,1,0,0,0,1|1,0,0]=3 7348 B13R1.149 CC(Br)COCc1cccc(n1)Br 34a_100012180447_100009889011 [0,1,0,0,0,1|2,0,0]=4 7349 B13R1.149 CC(Br)COCc1cccc(n1)Cl 34a_100012180447_100000086093 [0,1,0,0,0,1|2,0,0]=4 7350 B13R1.149 CC(Br)COCc1cccc(n1)F 34a_100012180447_100009819644 [0,1,0,0,0,1|2,0,0]=4 7351 B13R1.149 CC(Br)COCc1ccnc(c1)Br 34a_100012180447_100010243470 [0,1,0,0,0,1|2,0,0]=4 7352 B13R1.149 CC(Br)COCc1ccnc(c1)Cl 34a_100012180447_100000764220 [0,1,0,0,0,1|2,0,0]=4 7353 B13R1.149 CC(Br)COCc1cncc(c1)Br 34a_100012180447_100000738771 [0,1,0,0,0,1|2,0,0]=4 7354 B13R1.149 CC(Br)COCc1cncc(c1)Cl 34a_100012180447_100016992070 [0,1,0,0,0,1|2,0,0]=4 7355 B13R1.149 CC(Br)COCc1cncc(c1)F 34a_100012180447_100000725299 [0,1,0,0,0,1|2,0,0]=4 7356 B13R1.149 CC(C)CC=Cc1cccc(c1)Br 271570a_100016259101_100000691529 [0,1,0,0,0,1|1,0,1]=4 7357 B13R1.149 CC(C)CC=Cc1cccc(c1)Cl 271570a_100016259101_100000699651 [0,1,0,0,0,1|1,0,1]=4 7358 B13R1.149 CC(C)CC=Cc1cccc(c1)F 271570a_100016259101_100000685547 [0,1,0,0,0,1|1,0,1]=4 7359 B13R1.149 CC(C)CC=Cc1cccc(c1)N 271570a_100016259101_100000210019 [0,1,0,0,0,1|1,0,1]=4 7360 B13R1.149 CC(C)CC=Cc1cccc(c1)O 271570a_100016259101_100000211634 [0,1,0,0,0,1|1,0,1]=4 7361 B13R1.149 CC(C)CC=Cc1cccc(c1)[S] 271570a_100016259101_114929384022 [0,1,0,0,0,1|1,0,1]=4 7362 B13R1.149 CC(C)CCNc1cc(ccn1)F 27a_100000210545_100000764206 [0,1,0,0,0,1|2,0,0]=4 7363 B13R1.149 CC(C)CCNc1cc[nH]c(=O)c1 27a_100000210545_100000061649 [0,1,0,0,0,1|2,0,0]=4 7364 B13R1.149 CC(C)CCNc1cccc(c1)Br 34a_100000210019_100000210312 [0,1,0,0,0,1|1,0,0]=3 7365 B13R1.149 CC(C)CCNc1cccc(c1)Cl 34a_100000185859_100000210312 [0,1,0,0,0,1|1,0,0]=3 7366 B13R1.149 CC(C)CCNc1cccc(c1)F 34a_100000210047_100000210312 [0,1,0,0,0,1|1,0,0]=3 7367 B13R1.149 CC(C)CCNc1cccc(c1)I 34a_100000211102_100000210312 [0,1,0,0,0,1|1,0,0]=3 7368 B13R1.149 CC(C)CCNc1cccc(c1)O 34a_100000210217_100000210312 [0,1,0,0,0,1|1,0,0]=3 7369 B13R1.149 CC(C)CCNc1cccc(n1)F 27a_100000210545_100009815982 [0,1,0,0,0,1|2,0,0]=4 7370 B13R1.149 CC(C)CCNc1ccnc(c1)F 27a_100000210545_100009816116 [0,1,0,0,0,1|2,0,0]=4 7371 B13R1.149 CC(C)CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210312 [0,1,0,0,0,1|2,0,0]=4 7372 B13R1.149 CC(C)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210312 [0,1,0,0,0,1|2,0,0]=4 7373 B13R1.149 CC(C)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210626 [0,1,0,0,0,1|2,0,0]=4 7374 B13R1.149 CC(C)CCOc1cccc(=O)[nH]1 34a_100000033347_100000210312 [0,1,0,0,0,1|2,0,0]=4 7375 B13R1.149 CC(C)CCOc1cccc(c1)Br 34a_100000210342_100000210312 [0,1,0,0,0,1|1,0,0]=3 7376 B13R1.149 CC(C)CCOc1cccc(c1)Br 7a_100000210342_100000210626 [0,1,0,0,0,1|1,0,0]=3 7377 B13R1.149 CC(C)CCOc1cccc(c1)Cl 34a_100000210295_100000210312 [0,1,0,0,0,1|1,0,0]=3 7378 B13R1.149 CC(C)CCOc1cccc(c1)Cl 7a_100000210295_100000210626 [0,1,0,0,0,1|1,0,0]=3 7379 B13R1.149 CC(C)CCOc1cccc(c1)F 34a_100000210426_100000210312 [0,1,0,0,0,1|1,0,0]=3 7380 B13R1.149 CC(C)CCOc1cccc(c1)F 7a_100000210426_100000210626 [0,1,0,0,0,1|1,0,0]=3 7381 B13R1.149 CC(C)CCOc1cccc(c1)I 34a_100000211634_100000210312 [0,1,0,0,0,1|1,0,0]=3 7382 B13R1.149 CC(C)CCOc1cccc(c1)I 7a_100000211634_100000210626 [0,1,0,0,0,1|1,0,0]=3 7383 B13R1.149 CC(C)CCOc1cccc(c1)N 34a_100000210217_100000210312 [0,1,0,0,0,1|1,0,0]=3 7384 B13R1.149 CC(C)CCOc1cccc(n1)F 34a_100011432558_100000210312 [0,1,0,0,0,1|2,0,0]=4 7385 B13R1.149 CC(C)CCOc1ccnc(c1)Cl 34a_100000762945_100000210312 [0,1,0,0,0,1|2,0,0]=4 7386 B13R1.149 CC(C)CCOc1ccnc(c1)F 34a_100000732698_100000210312 [0,1,0,0,0,1|2,0,0]=4 7387 B13R1.149 CC(C)CCOc1ccnc(c1)N 34a_100011834064_100000210312 [0,1,0,0,0,1|2,0,0]=4 7388 B13R1.149 CC(C)CCOc1cncc(c1)Br 34a_100000754920_100000210312 [0,1,0,0,0,1|2,0,0]=4 7389 B13R1.149 CC(C)CCOc1cncc(c1)Br 7a_100000754920_100000210626 [0,1,0,0,0,1|2,0,0]=4 7390 B13R1.149 CC(C)CCOc1cncc(c1)Cl 7a_100000032511_100000210626 [0,1,0,0,0,1|2,0,0]=4 7391 B13R1.149 CC(C)CCOc1cncc(c1)F 34a_100011830296_100000210312 [0,1,0,0,0,1|2,0,0]=4 7392 B13R1.149 CC(C)CCOc1cncc(c1)F 7a_100011830296_100000210626 [0,1,0,0,0,1|2,0,0]=4 7393 B13R1.149 CC(C)CCOc1cncc(c1)N 34a_100011997051_100000210312 [0,1,0,0,0,1|2,0,0]=4 7394 B13R1.149 CC(C)CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210312 [0,1,0,0,0,1|2,0,0]=4 7395 B13R1.149 CC(C)CCSc1cc(ccn1)Cl 62a_100000210312_100010167805 [0,1,0,0,0,1|2,0,0]=4 7396 B13R1.149 CC(C)CCSc1cc(ccn1)Cl 62a_100010167805_100000210312 [0,1,0,0,0,1|2,0,0]=4 7397 B13R1.149 CC(C)CCSc1cc(ccn1)F 62a_100000210312_100000764206 [0,1,0,0,0,1|2,0,0]=4 7398 B13R1.149 CC(C)CCSc1cc(ccn1)F 62a_100000764206_100000210312 [0,1,0,0,0,1|2,0,0]=4 7399 B13R1.149 CC(C)CCSc1cc(ccn1)N 62a_100000210312_100009814236 [0,1,0,0,0,1|2,0,0]=4 7400 B13R1.149 CC(C)CCSc1cc(ccn1)N 62a_100009814236_100000210312 [0,1,0,0,0,1|2,0,0]=4 7401 B13R1.149 CC(C)CCSc1cc(ccn1)O 62a_100000210312_100000762945 [0,1,0,0,0,1|2,0,0]=4 7402 B13R1.149 CC(C)CCSc1cc[nH]c(=O)c1 62a_100000210312_100009816521 [0,1,0,0,0,1|2,0,0]=4 7403 B13R1.149 CC(C)CCSc1cc[nH]c(=O)c1 62a_100009816521_100000210312 [0,1,0,0,0,1|2,0,0]=4 7404 B13R1.149 CC(C)CCSc1ccc[n+](c1)C 62a_100000210312_100009996589 [0,1,0,0,0,1|2,0,0]=4 7405 B13R1.149 CC(C)CCSc1ccc[n+](c1)C 62a_100009996589_100000210312 [0,1,0,0,0,1|2,0,0]=4 7406 B13R1.149 CC(C)CCSc1ccc[n+](c1)[O-] 62a_100000210312_100009815978 [0,1,0,0,0,1|2,0,0]=4 7407 B13R1.149 CC(C)CCSc1cccc(=O)[nH]1 62a_100000210312_100000752884 [0,1,0,0,0,1|2,0,0]=4 7408 B13R1.149 CC(C)CCSc1cccc(c1)Br 62a_100000210312_100000691529 [0,1,0,0,0,1|1,0,0]=3 7409 B13R1.149 CC(C)CCSc1cccc(c1)Br 62a_100000691529_100000210312 [0,1,0,0,0,1|1,0,0]=3 7410 B13R1.149 CC(C)CCSc1cccc(c1)Cl 62a_100000210312_100000699651 [0,1,0,0,0,1|1,0,0]=3 7411 B13R1.149 CC(C)CCSc1cccc(c1)Cl 62a_100000699651_100000210312 [0,1,0,0,0,1|1,0,0]=3 7412 B13R1.149 CC(C)CCSc1cccc(c1)F 62a_100000210312_100000685547 [0,1,0,0,0,1|1,0,0]=3 7413 B13R1.149 CC(C)CCSc1cccc(c1)F 62a_100000685547_100000210312 [0,1,0,0,0,1|1,0,0]=3 7414 B13R1.149 CC(C)CCSc1cccc(c1)N 62a_100000210019_100000210312 [0,1,0,0,0,1|1,0,0]=3 7415 B13R1.149 CC(C)CCSc1cccc(c1)N 62a_100000210312_100000210019 [0,1,0,0,0,1|1,0,0]=3 7416 B13R1.149 CC(C)CCSc1cccc(c1)O 62a_100000210312_100000211634 [0,1,0,0,0,1|1,0,0]=3 7417 B13R1.149 CC(C)CCSc1cccc(c1)[S] 62a_100000210312_114929384022 [0,1,0,0,0,1|1,0,0]=3 7418 B13R1.149 CC(C)CCSc1cccc(c1)[S] 62a_114929384022_100000210312 [0,1,0,0,0,1|1,0,0]=3 7419 B13R1.149 CC(C)CCSc1cccc(n1)Br 62a_100000210312_100000684672 [0,1,0,0,0,1|2,0,0]=4 7420 B13R1.149 CC(C)CCSc1cccc(n1)Br 62a_100000684672_100000210312 [0,1,0,0,0,1|2,0,0]=4 7421 B13R1.149 CC(C)CCSc1cccc(n1)Cl 62a_100000051397_100000210312 [0,1,0,0,0,1|2,0,0]=4 7422 B13R1.149 CC(C)CCSc1cccc(n1)Cl 62a_100000210312_100000051397 [0,1,0,0,0,1|2,0,0]=4 7423 B13R1.149 CC(C)CCSc1cccc(n1)F 62a_100000210312_100009815982 [0,1,0,0,0,1|2,0,0]=4 7424 B13R1.149 CC(C)CCSc1cccc(n1)F 62a_100009815982_100000210312 [0,1,0,0,0,1|2,0,0]=4 7425 B13R1.149 CC(C)CCSc1cccc(n1)N 62a_100000210312_100000740741 [0,1,0,0,0,1|2,0,0]=4 7426 B13R1.149 CC(C)CCSc1cccc(n1)N 62a_100000740741_100000210312 [0,1,0,0,0,1|2,0,0]=4 7427 B13R1.149 CC(C)CCSc1ccnc(c1)Br 62a_100000210312_100009814637 [0,1,0,0,0,1|2,0,0]=4 7428 B13R1.149 CC(C)CCSc1ccnc(c1)Br 62a_100009814637_100000210312 [0,1,0,0,0,1|2,0,0]=4 7429 B13R1.149 CC(C)CCSc1ccnc(c1)Cl 62a_100000035001_100000210312 [0,1,0,0,0,1|2,0,0]=4 7430 B13R1.149 CC(C)CCSc1ccnc(c1)Cl 62a_100000210312_100000035001 [0,1,0,0,0,1|2,0,0]=4 7431 B13R1.149 CC(C)CCSc1ccnc(c1)F 62a_100000210312_100009816116 [0,1,0,0,0,1|2,0,0]=4 7432 B13R1.149 CC(C)CCSc1ccnc(c1)F 62a_100009816116_100000210312 [0,1,0,0,0,1|2,0,0]=4 7433 B13R1.149 CC(C)CCSc1ccnc(c1)N 62a_100000049665_100000210312 [0,1,0,0,0,1|2,0,0]=4 7434 B13R1.149 CC(C)CCSc1ccnc(c1)N 62a_100000210312_100000049665 [0,1,0,0,0,1|2,0,0]=4 7435 B13R1.149 CC(C)CCSc1cncc(c1)Br 62a_100000210312_100000728054 [0,1,0,0,0,1|2,0,0]=4 7436 B13R1.149 CC(C)CCSc1cncc(c1)Br 62a_100000728054_100000210312 [0,1,0,0,0,1|2,0,0]=4 7437 B13R1.149 CC(C)CCSc1cncc(c1)Cl 62a_100000049639_100000210312 [0,1,0,0,0,1|2,0,0]=4 7438 B13R1.149 CC(C)CCSc1cncc(c1)Cl 62a_100000210312_100000049639 [0,1,0,0,0,1|2,0,0]=4 7439 B13R1.149 CC(C)CCSc1cncc(c1)F 62a_100000210312_100000744099 [0,1,0,0,0,1|2,0,0]=4 7440 B13R1.149 CC(C)CCSc1cncc(c1)F 62a_100000744099_100000210312 [0,1,0,0,0,1|2,0,0]=4 7441 B13R1.149 CC(C)CCSc1cncc(c1)N 62a_100000210312_100000687067 [0,1,0,0,0,1|2,0,0]=4 7442 B13R1.149 CC(C)CCSc1cncc(c1)N 62a_100000687067_100000210312 [0,1,0,0,0,1|2,0,0]=4 7443 B13R1.149 CC(C)CCSc1cncc(c1)O 62a_100000210312_100000754920 [0,1,0,0,0,1|2,0,0]=4 7444 B13R1.149 CC(C)CCSc1cncc(c1)O 62a_100000754920_100000210312 [0,1,0,0,0,1|2,0,0]=4 7445 B13R1.149 CC(C)CNCc1cc(ccn1)Br 2230a_100000210953_100010173614 [0,1,0,0,0,1|2,0,0]=4 7446 B13R1.149 CC(C)CNCc1cc(ccn1)Br 270004a_100000210953_100009818557 [0,1,0,0,0,1|2,0,0]=4 7447 B13R1.149 CC(C)CNCc1cc(ccn1)Br 34a_100000210953_100010173614 [0,1,0,0,0,1|2,0,0]=4 7448 B13R1.149 CC(C)CNCc1cc(ccn1)Cl 2230a_100000210953_100016988179 [0,1,0,0,0,1|2,0,0]=4 7449 B13R1.149 CC(C)CNCc1cc(ccn1)Cl 270004a_100000210953_100011998288 [0,1,0,0,0,1|2,0,0]=4 7450 B13R1.149 CC(C)CNCc1cc(ccn1)Cl 34a_100000210953_100016988179 [0,1,0,0,0,1|2,0,0]=4 7451 B13R1.149 CC(C)CNCc1cccc(=O)[nH]1 207a_100000210953_100011935257 [0,1,0,0,0,1|2,0,0]=4 7452 B13R1.149 CC(C)CNCc1cccc(=O)[nH]1 2230a_100000696482_100000210760 [0,1,0,0,0,1|2,0,0]=4 7453 B13R1.149 CC(C)CNCc1cccc(c1)Br 207a_100000210953_100000210085 [0,1,0,0,0,1|1,0,0]=3 7454 B13R1.149 CC(C)CNCc1cccc(c1)Br 2230a_100000174977_100000210760 [0,1,0,0,0,1|1,0,0]=3 7455 B13R1.149 CC(C)CNCc1cccc(c1)Br 2230a_100000210953_100000698116 [0,1,0,0,0,1|1,0,0]=3 7456 B13R1.149 CC(C)CNCc1cccc(c1)Br 26a_100000210953_100000210342 [0,1,0,0,0,1|1,0,0]=3 7457 B13R1.149 CC(C)CNCc1cccc(c1)Br 270004a_100000174977_100000210432 [0,1,0,0,0,1|1,0,0]=3 7458 B13R1.149 CC(C)CNCc1cccc(c1)Br 270004a_100000210953_100000210085 [0,1,0,0,0,1|1,0,0]=3 7459 B13R1.149 CC(C)CNCc1cccc(c1)Br 34a_100000174977_100000210624 [0,1,0,0,0,1|1,0,0]=3 7460 B13R1.149 CC(C)CNCc1cccc(c1)Br 34a_100000210953_100000698116 [0,1,0,0,0,1|1,0,0]=3 7461 B13R1.149 CC(C)CNCc1cccc(c1)Cl 207a_100000210953_100000210801 [0,1,0,0,0,1|1,0,0]=3 7462 B13R1.149 CC(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000210760 [0,1,0,0,0,1|1,0,0]=3 7463 B13R1.149 CC(C)CNCc1cccc(c1)Cl 2230a_100000210953_100000181238 [0,1,0,0,0,1|1,0,0]=3 7464 B13R1.149 CC(C)CNCc1cccc(c1)Cl 270004a_100000174878_100000210432 [0,1,0,0,0,1|1,0,0]=3 7465 B13R1.149 CC(C)CNCc1cccc(c1)Cl 270004a_100000210953_100000210801 [0,1,0,0,0,1|1,0,0]=3 7466 B13R1.149 CC(C)CNCc1cccc(c1)Cl 34a_100000174878_100000210624 [0,1,0,0,0,1|1,0,0]=3 7467 B13R1.149 CC(C)CNCc1cccc(c1)Cl 34a_100000210953_100000187163 [0,1,0,0,0,1|1,0,0]=3 7468 B13R1.149 CC(C)CNCc1cccc(c1)F 207a_100000210953_100000210812 [0,1,0,0,0,1|1,0,0]=3 7469 B13R1.149 CC(C)CNCc1cccc(c1)F 2230a_100000174948_100000210760 [0,1,0,0,0,1|1,0,0]=3 7470 B13R1.149 CC(C)CNCc1cccc(c1)F 2230a_100000210953_100000230114 [0,1,0,0,0,1|1,0,0]=3 7471 B13R1.149 CC(C)CNCc1cccc(c1)F 270004a_100000174948_100000210432 [0,1,0,0,0,1|1,0,0]=3 7472 B13R1.149 CC(C)CNCc1cccc(c1)F 270004a_100000210953_100000210812 [0,1,0,0,0,1|1,0,0]=3 7473 B13R1.149 CC(C)CNCc1cccc(c1)F 34a_100000174948_100000210624 [0,1,0,0,0,1|1,0,0]=3 7474 B13R1.149 CC(C)CNCc1cccc(c1)F 34a_100000210953_100000187166 [0,1,0,0,0,1|1,0,0]=3 7475 B13R1.149 CC(C)CNCc1cccc(c1)I 207a_100000210953_100000014684 [0,1,0,0,0,1|1,0,0]=3 7476 B13R1.149 CC(C)CNCc1cccc(c1)I 2230a_100000106179_100000210760 [0,1,0,0,0,1|1,0,0]=3 7477 B13R1.149 CC(C)CNCc1cccc(c1)I 2230a_100000210953_100011218688 [0,1,0,0,0,1|1,0,0]=3 7478 B13R1.149 CC(C)CNCc1cccc(c1)I 270004a_100000106179_100000210432 [0,1,0,0,0,1|1,0,0]=3 7479 B13R1.149 CC(C)CNCc1cccc(c1)I 270004a_100000210953_100000014684 [0,1,0,0,0,1|1,0,0]=3 7480 B13R1.149 CC(C)CNCc1cccc(c1)I 34a_100000106179_100000210624 [0,1,0,0,0,1|1,0,0]=3 7481 B13R1.149 CC(C)CNCc1cccc(c1)I 34a_100000210953_100011218688 [0,1,0,0,0,1|1,0,0]=3 7482 B13R1.149 CC(C)CNCc1cccc(c1)O 207a_100000210953_100000188321 [0,1,0,0,0,1|1,0,0]=3 7483 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000210953_100011660834 [0,1,0,0,0,1|1,0,0]=3 7484 B13R1.149 CC(C)CNCc1cccc(c1)O 2230a_100000743036_100000210760 [0,1,0,0,0,1|1,0,0]=3 7485 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000210953_100000188321 [0,1,0,0,0,1|1,0,0]=3 7486 B13R1.149 CC(C)CNCc1cccc(c1)O 270004a_100000743036_100000210432 [0,1,0,0,0,1|1,0,0]=3 7487 B13R1.149 CC(C)CNCc1cccc(c1)O 271570a_203496583355_100015187148 [0,1,0,0,0,1|1,0,0]=3 7488 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000210953_100011660834 [0,1,0,0,0,1|1,0,0]=3 7489 B13R1.149 CC(C)CNCc1cccc(c1)O 34a_100000743036_100000210624 [0,1,0,0,0,1|1,0,0]=3 7490 B13R1.149 CC(C)CNCc1cccc(n1)Br 2230a_100000210953_100009889011 [0,1,0,0,0,1|2,0,0]=4 7491 B13R1.149 CC(C)CNCc1cccc(n1)Br 2230a_100016987751_100000210760 [0,1,0,0,0,1|2,0,0]=4 7492 B13R1.149 CC(C)CNCc1cccc(n1)Br 270004a_100000210953_100000688028 [0,1,0,0,0,1|2,0,0]=4 7493 B13R1.149 CC(C)CNCc1cccc(n1)Br 34a_100000210953_100009889011 [0,1,0,0,0,1|2,0,0]=4 7494 B13R1.149 CC(C)CNCc1cccc(n1)Cl 2230a_100000210953_100000086093 [0,1,0,0,0,1|2,0,0]=4 7495 B13R1.149 CC(C)CNCc1cccc(n1)Cl 2230a_100016990191_100000210760 [0,1,0,0,0,1|2,0,0]=4 7496 B13R1.149 CC(C)CNCc1cccc(n1)Cl 270004a_100000210953_100011361687 [0,1,0,0,0,1|2,0,0]=4 7497 B13R1.149 CC(C)CNCc1cccc(n1)Cl 34a_100000210953_100000086093 [0,1,0,0,0,1|2,0,0]=4 7498 B13R1.149 CC(C)CNCc1cccc(n1)F 2230a_100000210953_100009819644 [0,1,0,0,0,1|2,0,0]=4 7499 B13R1.149 CC(C)CNCc1cccc(n1)F 2230a_100015188798_100000210760 [0,1,0,0,0,1|2,0,0]=4 7500 B13R1.149 CC(C)CNCc1cccc(n1)F 270004a_100000210953_100000050434 [0,1,0,0,0,1|2,0,0]=4 7501 B13R1.149 CC(C)CNCc1cccc(n1)F 34a_100000210953_100009819644 [0,1,0,0,0,1|2,0,0]=4 7502 B13R1.149 CC(C)CNCc1cccc(n1)F 34a_100015188798_100000210624 [0,1,0,0,0,1|2,0,0]=4 7503 B13R1.149 CC(C)CNCc1ccnc(c1)Br 2230a_100000210953_100010243470 [0,1,0,0,0,1|2,0,0]=4 7504 B13R1.149 CC(C)CNCc1ccnc(c1)Br 2230a_100025757509_100000210760 [0,1,0,0,0,1|2,0,0]=4 7505 B13R1.149 CC(C)CNCc1ccnc(c1)Br 270004a_100000210953_100009814634 [0,1,0,0,0,1|2,0,0]=4 7506 B13R1.149 CC(C)CNCc1ccnc(c1)Br 270004a_100025757509_100000210432 [0,1,0,0,0,1|2,0,0]=4 7507 B13R1.149 CC(C)CNCc1ccnc(c1)Br 34a_100000210953_100010243470 [0,1,0,0,0,1|2,0,0]=4 7508 B13R1.149 CC(C)CNCc1ccnc(c1)Br 34a_100025757509_100000210624 [0,1,0,0,0,1|2,0,0]=4 7509 B13R1.149 CC(C)CNCc1ccnc(c1)Cl 2230a_100000210953_100000764220 [0,1,0,0,0,1|2,0,0]=4 7510 B13R1.149 CC(C)CNCc1ccnc(c1)Cl 2230a_100015205668_100000210760 [0,1,0,0,0,1|2,0,0]=4 7511 B13R1.149 CC(C)CNCc1ccnc(c1)Cl 270004a_100000210953_100011290808 [0,1,0,0,0,1|2,0,0]=4 7512 B13R1.149 CC(C)CNCc1ccnc(c1)Cl 270004a_100015205668_100000210432 [0,1,0,0,0,1|2,0,0]=4 7513 B13R1.149 CC(C)CNCc1ccnc(c1)Cl 34a_100000210953_100000764220 [0,1,0,0,0,1|2,0,0]=4 7514 B13R1.149 CC(C)CNCc1ccnc(c1)Cl 34a_100015205668_100000210624 [0,1,0,0,0,1|2,0,0]=4 7515 B13R1.149 CC(C)CNCc1ccnc(c1)F 2230a_100015188774_100000210760 [0,1,0,0,0,1|2,0,0]=4 7516 B13R1.149 CC(C)CNCc1ccnc(c1)F 270004a_100000210953_100000068331 [0,1,0,0,0,1|2,0,0]=4 7517 B13R1.149 CC(C)CNCc1ccnc(c1)F 270004a_100015188774_100000210432 [0,1,0,0,0,1|2,0,0]=4 7518 B13R1.149 CC(C)CNCc1ccnc(c1)F 34a_100015188774_100000210624 [0,1,0,0,0,1|2,0,0]=4 7519 B13R1.149 CC(C)CNCc1ccnc(c1)O 207a_100000210953_100000688113 [0,1,0,0,0,1|2,0,0]=4 7520 B13R1.149 CC(C)CNCc1cncc(c1)Br 207a_100000210953_100000687066 [0,1,0,0,0,1|2,0,0]=4 7521 B13R1.149 CC(C)CNCc1cncc(c1)Br 2230a_100000210953_100000738771 [0,1,0,0,0,1|2,0,0]=4 7522 B13R1.149 CC(C)CNCc1cncc(c1)Br 270004a_100000210953_100000687066 [0,1,0,0,0,1|2,0,0]=4 7523 B13R1.149 CC(C)CNCc1cncc(c1)Br 270004a_100011249555_100000210432 [0,1,0,0,0,1|2,0,0]=4 7524 B13R1.149 CC(C)CNCc1cncc(c1)Br 34a_100000210953_100000738771 [0,1,0,0,0,1|2,0,0]=4 7525 B13R1.149 CC(C)CNCc1cncc(c1)Cl 207a_100000210953_100000088910 [0,1,0,0,0,1|2,0,0]=4 7526 B13R1.149 CC(C)CNCc1cncc(c1)Cl 2230a_100000210953_100016992070 [0,1,0,0,0,1|2,0,0]=4 7527 B13R1.149 CC(C)CNCc1cncc(c1)Cl 2230a_200020614424_100000210760 [0,1,0,0,0,1|2,0,0]=4 7528 B13R1.149 CC(C)CNCc1cncc(c1)Cl 270004a_100000210953_100000088910 [0,1,0,0,0,1|2,0,0]=4 7529 B13R1.149 CC(C)CNCc1cncc(c1)Cl 270004a_200020614424_100000210432 [0,1,0,0,0,1|2,0,0]=4 7530 B13R1.149 CC(C)CNCc1cncc(c1)Cl 34a_100000210953_100016992070 [0,1,0,0,0,1|2,0,0]=4 7531 B13R1.149 CC(C)CNCc1cncc(c1)F 207a_100000210953_100011361476 [0,1,0,0,0,1|2,0,0]=4 7532 B13R1.149 CC(C)CNCc1cncc(c1)F 2230a_100000210953_100000725299 [0,1,0,0,0,1|2,0,0]=4 7533 B13R1.149 CC(C)CNCc1cncc(c1)F 2230a_100011962886_100000210760 [0,1,0,0,0,1|2,0,0]=4 7534 B13R1.149 CC(C)CNCc1cncc(c1)F 270004a_100000210953_100011361476 [0,1,0,0,0,1|2,0,0]=4 7535 B13R1.149 CC(C)CNCc1cncc(c1)F 270004a_100011962886_100000210432 [0,1,0,0,0,1|2,0,0]=4 7536 B13R1.149 CC(C)CNCc1cncc(c1)F 34a_100000210953_100000725299 [0,1,0,0,0,1|2,0,0]=4 7537 B13R1.149 CC(C)CNCc1cncc(c1)F 34a_100011962886_100000210624 [0,1,0,0,0,1|2,0,0]=4 7538 B13R1.149 CC(C)CNCc1cncc(c1)O 207a_100000210953_100012187055 [0,1,0,0,0,1|2,0,0]=4 7539 B13R1.149 CC(C)CNCc1cncc(c1)O 270004a_100000210953_100012187055 [0,1,0,0,0,1|2,0,0]=4 7540 B13R1.149 CC(C)COCc1cc(ccn1)Br 34a_100000210257_100010173614 [0,1,0,0,0,1|2,0,0]=4 7541 B13R1.149 CC(C)COCc1cc(ccn1)Cl 34a_100000210257_100016988179 [0,1,0,0,0,1|2,0,0]=4 7542 B13R1.149 CC(C)COCc1cc(ccn1)Cl 34a_100000748867_100000210624 [0,1,0,0,0,1|2,0,0]=4 7543 B13R1.149 CC(C)COCc1cc(ccn1)N 34a_100000692640_100000210624 [0,1,0,0,0,1|2,0,0]=4 7544 B13R1.149 CC(C)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000210624 [0,1,0,0,0,1|2,0,0]=4 7545 B13R1.149 CC(C)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000210760 [0,1,0,0,0,1|2,0,0]=4 7546 B13R1.149 CC(C)COCc1cccc(c1)Br 34a_100000210257_100000698116 [0,1,0,0,0,1|1,0,0]=3 7547 B13R1.149 CC(C)COCc1cccc(c1)Br 34a_100000687537_100000210624 [0,1,0,0,0,1|1,0,0]=3 7548 B13R1.149 CC(C)COCc1cccc(c1)Br 7a_100000687537_100000210760 [0,1,0,0,0,1|1,0,0]=3 7549 B13R1.149 CC(C)COCc1cccc(c1)Cl 34a_100000210257_100000187163 [0,1,0,0,0,1|1,0,0]=3 7550 B13R1.149 CC(C)COCc1cccc(c1)Cl 34a_100000241301_100000210624 [0,1,0,0,0,1|1,0,0]=3 7551 B13R1.149 CC(C)COCc1cccc(c1)Cl 7a_100000241301_100000210760 [0,1,0,0,0,1|1,0,0]=3 7552 B13R1.149 CC(C)COCc1cccc(c1)F 34a_100000210257_100000187166 [0,1,0,0,0,1|1,0,0]=3 7553 B13R1.149 CC(C)COCc1cccc(c1)F 34a_100000210976_100000210624 [0,1,0,0,0,1|1,0,0]=3 7554 B13R1.149 CC(C)COCc1cccc(c1)F 7a_100000210976_100000210760 [0,1,0,0,0,1|1,0,0]=3 7555 B13R1.149 CC(C)COCc1cccc(c1)I 34a_100000210257_100011218688 [0,1,0,0,0,1|1,0,0]=3 7556 B13R1.149 CC(C)COCc1cccc(c1)I 34a_100011215336_100000210624 [0,1,0,0,0,1|1,0,0]=3 7557 B13R1.149 CC(C)COCc1cccc(c1)I 7a_100011215336_100000210760 [0,1,0,0,0,1|1,0,0]=3 7558 B13R1.149 CC(C)COCc1cccc(c1)N 34a_100000211919_100000210624 [0,1,0,0,0,1|1,0,0]=3 7559 B13R1.149 CC(C)COCc1cccc(c1)O 34a_100000210257_100011660834 [0,1,0,0,0,1|1,0,0]=3 7560 B13R1.149 CC(C)COCc1cccc(n1)Br 34a_100000210257_100009889011 [0,1,0,0,0,1|2,0,0]=4 7561 B13R1.149 CC(C)COCc1cccc(n1)Br 34a_100000694195_100000210624 [0,1,0,0,0,1|2,0,0]=4 7562 B13R1.149 CC(C)COCc1cccc(n1)Cl 34a_100000210257_100000086093 [0,1,0,0,0,1|2,0,0]=4 7563 B13R1.149 CC(C)COCc1cccc(n1)Cl 34a_100011998359_100000210624 [0,1,0,0,0,1|2,0,0]=4 7564 B13R1.149 CC(C)COCc1cccc(n1)F 34a_100000086748_100000210624 [0,1,0,0,0,1|2,0,0]=4 7565 B13R1.149 CC(C)COCc1cccc(n1)F 34a_100000210257_100009819644 [0,1,0,0,0,1|2,0,0]=4 7566 B13R1.149 CC(C)COCc1ccnc(c1)Br 34a_100000210257_100010243470 [0,1,0,0,0,1|2,0,0]=4 7567 B13R1.149 CC(C)COCc1ccnc(c1)Br 34a_100009814636_100000210624 [0,1,0,0,0,1|2,0,0]=4 7568 B13R1.149 CC(C)COCc1ccnc(c1)Br 7a_100009814636_100000210760 [0,1,0,0,0,1|2,0,0]=4 7569 B13R1.149 CC(C)COCc1ccnc(c1)Cl 34a_100000210257_100000764220 [0,1,0,0,0,1|2,0,0]=4 7570 B13R1.149 CC(C)COCc1ccnc(c1)Cl 34a_100000748751_100000210624 [0,1,0,0,0,1|2,0,0]=4 7571 B13R1.149 CC(C)COCc1ccnc(c1)F 34a_100000082451_100000210624 [0,1,0,0,0,1|2,0,0]=4 7572 B13R1.149 CC(C)COCc1cncc(c1)Br 34a_100000210257_100000738771 [0,1,0,0,0,1|2,0,0]=4 7573 B13R1.149 CC(C)COCc1cncc(c1)Br 34a_100011259137_100000210624 [0,1,0,0,0,1|2,0,0]=4 7574 B13R1.149 CC(C)COCc1cncc(c1)Br 7a_100011259137_100000210760 [0,1,0,0,0,1|2,0,0]=4 7575 B13R1.149 CC(C)COCc1cncc(c1)Cl 34a_100000092867_100000210624 [0,1,0,0,0,1|2,0,0]=4 7576 B13R1.149 CC(C)COCc1cncc(c1)Cl 34a_100000210257_100016992070 [0,1,0,0,0,1|2,0,0]=4 7577 B13R1.149 CC(C)COCc1cncc(c1)Cl 7a_100000092867_100000210760 [0,1,0,0,0,1|2,0,0]=4 7578 B13R1.149 CC(C)COCc1cncc(c1)F 34a_100000210257_100000725299 [0,1,0,0,0,1|2,0,0]=4 7579 B13R1.149 CC(C)COCc1cncc(c1)F 34a_100011962875_100000210624 [0,1,0,0,0,1|2,0,0]=4 7580 B13R1.149 CC(C)COCc1cncc(c1)F 7a_100011962875_100000210760 [0,1,0,0,0,1|2,0,0]=4 7581 B13R1.149 CC(C)COCc1cncc(c1)N 34a_100000085308_100000210624 [0,1,0,0,0,1|2,0,0]=4 7582 B13R1.149 CC(C)CSCc1cc(ccn1)Br 62a_100000210624_100010173614 [0,1,0,0,0,1|2,0,0]=4 7583 B13R1.149 CC(C)CSCc1cc(ccn1)Br 62a_100010173614_100000210760 [0,1,0,0,0,1|2,0,0]=4 7584 B13R1.149 CC(C)CSCc1cc(ccn1)Cl 62a_100000210624_100016988179 [0,1,0,0,0,1|2,0,0]=4 7585 B13R1.149 CC(C)CSCc1cc(ccn1)Cl 62a_100016988179_100000210760 [0,1,0,0,0,1|2,0,0]=4 7586 B13R1.149 CC(C)CSCc1cccc(c1)Br 62a_100000210624_100000211773 [0,1,0,0,0,1|1,0,0]=3 7587 B13R1.149 CC(C)CSCc1cccc(c1)Br 62a_100000211773_100000210760 [0,1,0,0,0,1|1,0,0]=3 7588 B13R1.149 CC(C)CSCc1cccc(c1)Cl 62a_100000187163_100000210760 [0,1,0,0,0,1|1,0,0]=3 7589 B13R1.149 CC(C)CSCc1cccc(c1)Cl 62a_100000210624_100000187163 [0,1,0,0,0,1|1,0,0]=3 7590 B13R1.149 CC(C)CSCc1cccc(c1)F 62a_100000210624_100000230114 [0,1,0,0,0,1|1,0,0]=3 7591 B13R1.149 CC(C)CSCc1cccc(c1)F 62a_100000230114_100000210760 [0,1,0,0,0,1|1,0,0]=3 7592 B13R1.149 CC(C)CSCc1cccc(c1)I 62a_100000210624_100011218688 [0,1,0,0,0,1|1,0,0]=3 7593 B13R1.149 CC(C)CSCc1cccc(c1)I 62a_100011218688_100000210760 [0,1,0,0,0,1|1,0,0]=3 7594 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100000210624_100011660834 [0,1,0,0,0,1|1,0,0]=3 7595 B13R1.149 CC(C)CSCc1cccc(c1)O 62a_100011660834_100000210760 [0,1,0,0,0,1|1,0,0]=3 7596 B13R1.149 CC(C)CSCc1cccc(n1)Br 62a_100000210624_100009889011 [0,1,0,0,0,1|2,0,0]=4 7597 B13R1.149 CC(C)CSCc1cccc(n1)Br 62a_100009889011_100000210760 [0,1,0,0,0,1|2,0,0]=4 7598 B13R1.149 CC(C)CSCc1cccc(n1)Cl 62a_100000086093_100000210760 [0,1,0,0,0,1|2,0,0]=4 7599 B13R1.149 CC(C)CSCc1cccc(n1)Cl 62a_100000210624_100000086093 [0,1,0,0,0,1|2,0,0]=4 7600 B13R1.149 CC(C)CSCc1cccc(n1)F 62a_100000210624_100009819644 [0,1,0,0,0,1|2,0,0]=4 7601 B13R1.149 CC(C)CSCc1cccc(n1)F 62a_100009819644_100000210760 [0,1,0,0,0,1|2,0,0]=4 7602 B13R1.149 CC(C)CSCc1ccnc(c1)Br 62a_100000210624_100010243470 [0,1,0,0,0,1|2,0,0]=4 7603 B13R1.149 CC(C)CSCc1ccnc(c1)Br 62a_100010254460_100000210760 [0,1,0,0,0,1|2,0,0]=4 7604 B13R1.149 CC(C)CSCc1ccnc(c1)Cl 62a_100000210624_100000764220 [0,1,0,0,0,1|2,0,0]=4 7605 B13R1.149 CC(C)CSCc1ccnc(c1)Cl 62a_100000764220_100000210760 [0,1,0,0,0,1|2,0,0]=4 7606 B13R1.149 CC(C)CSCc1cncc(c1)Br 62a_100000210624_100000738771 [0,1,0,0,0,1|2,0,0]=4 7607 B13R1.149 CC(C)CSCc1cncc(c1)Br 62a_100000738771_100000210760 [0,1,0,0,0,1|2,0,0]=4 7608 B13R1.149 CC(C)CSCc1cncc(c1)Cl 62a_100000210624_100016992070 [0,1,0,0,0,1|2,0,0]=4 7609 B13R1.149 CC(C)CSCc1cncc(c1)Cl 62a_100016992070_100000210760 [0,1,0,0,0,1|2,0,0]=4 7610 B13R1.149 CC(C)CSCc1cncc(c1)F 62a_100000210624_100000725299 [0,1,0,0,0,1|2,0,0]=4 7611 B13R1.149 CC(C)CSCc1cncc(c1)F 62a_100000725299_100000210760 [0,1,0,0,0,1|2,0,0]=4 7612 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000210206 [0,1,0,0,0,1|1,0,0]=3 7613 B13R1.149 CC(C)NCCc1cccc(c1)Br 2230a_100138425928_100011740638 [0,1,0,0,0,1|1,0,0]=3 7614 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100011207229_100000210206 [0,1,0,0,0,1|1,0,0]=3 7615 B13R1.149 CC(C)NCCc1cccc(c1)Br 34a_100138425928_100011740638 [0,1,0,0,0,1|1,0,0]=3 7616 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000210206 [0,1,0,0,0,1|1,0,0]=3 7617 B13R1.149 CC(C)NCCc1cccc(c1)Cl 2230a_100138425928_100011713710 [0,1,0,0,0,1|1,0,0]=3 7618 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100000185263_100000210206 [0,1,0,0,0,1|1,0,0]=3 7619 B13R1.149 CC(C)NCCc1cccc(c1)Cl 34a_100138425928_100011713710 [0,1,0,0,0,1|1,0,0]=3 7620 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100000205154_100000210206 [0,1,0,0,0,1|1,0,0]=3 7621 B13R1.149 CC(C)NCCc1cccc(c1)F 2230a_100138425928_100011217235 [0,1,0,0,0,1|1,0,0]=3 7622 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100000205154_100000210206 [0,1,0,0,0,1|1,0,0]=3 7623 B13R1.149 CC(C)NCCc1cccc(c1)F 34a_100138425928_100011217235 [0,1,0,0,0,1|1,0,0]=3 7624 B13R1.149 CC(C)NCCc1cccc(c1)O 2230a_100000747277_100000210206 [0,1,0,0,0,1|1,0,0]=3 7625 B13R1.149 CC(C)NCCc1cccc(c1)O 34a_100000747277_100000210206 [0,1,0,0,0,1|1,0,0]=3 7626 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100000212225_100011740638 [0,1,0,0,0,1|1,0,0]=3 7627 B13R1.149 CC(C)OCCc1cccc(c1)Br 34a_100011217444_100000210206 [0,1,0,0,0,1|1,0,0]=3 7628 B13R1.149 CC(C)OCCc1cccc(c1)Br 7a_100011217444_100000210206 [0,1,0,0,0,1|1,0,0]=3 7629 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000212225_100011713710 [0,1,0,0,0,1|1,0,0]=3 7630 B13R1.149 CC(C)OCCc1cccc(c1)Cl 34a_100000754733_100000210206 [0,1,0,0,0,1|1,0,0]=3 7631 B13R1.149 CC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000210206 [0,1,0,0,0,1|1,0,0]=3 7632 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000212225_100011217235 [0,1,0,0,0,1|1,0,0]=3 7633 B13R1.149 CC(C)OCCc1cccc(c1)F 34a_100000763591_100000210206 [0,1,0,0,0,1|1,0,0]=3 7634 B13R1.149 CC(C)OCCc1cccc(c1)F 7a_100000763591_100000210206 [0,1,0,0,0,1|1,0,0]=3 7635 B13R1.149 CC(C)OCCc1cccc(c1)N 34a_100011996697_100000210206 [0,1,0,0,0,1|1,0,0]=3 7636 B13R1.149 CC(C)OCCc1cccc(n1)Br 34a_100010221043_100000210206 [0,1,0,0,0,1|2,0,0]=4 7637 B13R1.149 CC(C)OCCc1cccc(n1)Br 7a_100010221043_100000210206 [0,1,0,0,0,1|2,0,0]=4 7638 B13R1.149 CC(C)OCNc1cccc(c1)Br 34a_100000210019_100000709892 [0,1,0,0,0,1|2,0,0]=4 7639 B13R1.149 CC(C)OCNc1cccc(c1)Cl 34a_100000185859_100000709892 [0,1,0,0,0,1|2,0,0]=4 7640 B13R1.149 CC(C)OCNc1cccc(c1)F 34a_100000210047_100000709892 [0,1,0,0,0,1|2,0,0]=4 7641 B13R1.149 CC(C)OCNc1cccc(c1)I 34a_100000211102_100000709892 [0,1,0,0,0,1|2,0,0]=4 7642 B13R1.149 CC(C)OCNc1cccc(c1)O 34a_100000210217_100000709892 [0,1,0,0,0,1|2,0,0]=4 7643 B13R1.149 CC(C)OCOc1cccc(c1)Br 34a_100000210342_100000709892 [0,1,0,0,0,1|2,0,0]=4 7644 B13R1.149 CC(C)OCOc1cccc(c1)Cl 34a_100000210295_100000709892 [0,1,0,0,0,1|2,0,0]=4 7645 B13R1.149 CC(C)OCOc1cccc(c1)F 34a_100000210426_100000709892 [0,1,0,0,0,1|2,0,0]=4 7646 B13R1.149 CC(C)OCOc1cccc(c1)I 34a_100000211634_100000709892 [0,1,0,0,0,1|2,0,0]=4 7647 B13R1.149 CC(C)OCOc1cccc(c1)N 34a_100000210217_100000709892 [0,1,0,0,0,1|2,0,0]=4 7648 B13R1.149 CC(C)OCSc1cccc(c1)Br 62a_100000691529_100000709892 [0,1,0,0,0,1|2,0,0]=4 7649 B13R1.149 CC(C)OCSc1cccc(c1)Br 62a_100000709892_100000691529 [0,1,0,0,0,1|2,0,0]=4 7650 B13R1.149 CC(C)OCSc1cccc(c1)Cl 62a_100000699651_100000709892 [0,1,0,0,0,1|2,0,0]=4 7651 B13R1.149 CC(C)OCSc1cccc(c1)Cl 62a_100000709892_100000699651 [0,1,0,0,0,1|2,0,0]=4 7652 B13R1.149 CC(C)OCSc1cccc(c1)F 62a_100000685547_100000709892 [0,1,0,0,0,1|2,0,0]=4 7653 B13R1.149 CC(C)OCSc1cccc(c1)F 62a_100000709892_100000685547 [0,1,0,0,0,1|2,0,0]=4 7654 B13R1.149 CC(C)OCSc1cccc(c1)N 62a_100000210019_100000709892 [0,1,0,0,0,1|2,0,0]=4 7655 B13R1.149 CC(C)OCSc1cccc(c1)N 62a_100000709892_100000210019 [0,1,0,0,0,1|2,0,0]=4 7656 B13R1.149 CC(C)OCSc1cccc(c1)O 62a_100000709892_100000211634 [0,1,0,0,0,1|2,0,0]=4 7657 B13R1.149 CC(C)OCSc1cccc(c1)[S] 62a_100000709892_114929384022 [0,1,0,0,0,1|2,0,0]=4 7658 B13R1.149 CC(C)OCSc1cccc(c1)[S] 62a_114929384022_100000709892 [0,1,0,0,0,1|2,0,0]=4 7659 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100000210206_100011740638 [0,1,0,0,0,1|1,0,0]=3 7660 B13R1.149 CC(C)SCCc1cccc(c1)Br 62a_100011740638_100000210206 [0,1,0,0,0,1|1,0,0]=3 7661 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100000210206_100011713710 [0,1,0,0,0,1|1,0,0]=3 7662 B13R1.149 CC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000210206 [0,1,0,0,0,1|1,0,0]=3 7663 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100000210206_100011217235 [0,1,0,0,0,1|1,0,0]=3 7664 B13R1.149 CC(C)SCCc1cccc(c1)F 62a_100011217235_100000210206 [0,1,0,0,0,1|1,0,0]=3 7665 B13R1.149 CC(F)COCc1cc(ccn1)Br 34a_100015925927_100010173614 [0,1,0,0,0,1|2,0,0]=4 7666 B13R1.149 CC(F)COCc1cc(ccn1)Cl 34a_100015925927_100016988179 [0,1,0,0,0,1|2,0,0]=4 7667 B13R1.149 CC(F)COCc1cccc(c1)Br 34a_100015925927_100000698116 [0,1,0,0,0,1|1,0,0]=3 7668 B13R1.149 CC(F)COCc1cccc(c1)Cl 34a_100015925927_100000187163 [0,1,0,0,0,1|1,0,0]=3 7669 B13R1.149 CC(F)COCc1cccc(c1)F 34a_100015925927_100000187166 [0,1,0,0,0,1|1,0,0]=3 7670 B13R1.149 CC(F)COCc1cccc(c1)I 34a_100015925927_100011218688 [0,1,0,0,0,1|1,0,0]=3 7671 B13R1.149 CC(F)COCc1cccc(c1)O 34a_100015925927_100011660834 [0,1,0,0,0,1|1,0,0]=3 7672 B13R1.149 CC(F)COCc1cccc(n1)Br 34a_100015925927_100009889011 [0,1,0,0,0,1|2,0,0]=4 7673 B13R1.149 CC(F)COCc1cccc(n1)Cl 34a_100015925927_100000086093 [0,1,0,0,0,1|2,0,0]=4 7674 B13R1.149 CC(F)COCc1cccc(n1)F 34a_100015925927_100009819644 [0,1,0,0,0,1|2,0,0]=4 7675 B13R1.149 CC(F)COCc1ccnc(c1)Br 34a_100015925927_100010243470 [0,1,0,0,0,1|2,0,0]=4 7676 B13R1.149 CC(F)COCc1ccnc(c1)Cl 34a_100015925927_100000764220 [0,1,0,0,0,1|2,0,0]=4 7677 B13R1.149 CC(F)COCc1cncc(c1)Br 34a_100015925927_100000738771 [0,1,0,0,0,1|2,0,0]=4 7678 B13R1.149 CC(F)COCc1cncc(c1)Cl 34a_100015925927_100016992070 [0,1,0,0,0,1|2,0,0]=4 7679 B13R1.149 CC(F)COCc1cncc(c1)F 34a_100015925927_100000725299 [0,1,0,0,0,1|2,0,0]=4 7680 B13R1.149 CC(O)CCNc1c[n+](ccn1)[O-] 27a_200000755665_100009880115 [0,1,0,0,0,1|2,0,0]=4 7681 B13R1.149 CC(O)CCNc1cc(ccn1)F 27a_200000755665_100000764206 [0,1,0,0,0,1|1,0,0]=3 7682 B13R1.149 CC(O)CCNc1cc(ncn1)F 27a_200000755665_200009880791 [0,1,0,0,0,1|2,0,0]=4 7683 B13R1.149 CC(O)CCNc1cc(ncn1)N 27a_200000755665_100000701291 [0,1,0,0,0,1|2,0,0]=4 7684 B13R1.149 CC(O)CCNc1cc(ncn1)O 27a_200000755665_100000765262 [0,1,0,0,0,1|2,0,0]=4 7685 B13R1.149 CC(O)CCNc1cc[nH]c(=O)c1 27a_200000755665_100000061649 [0,1,0,0,0,1|1,0,0]=3 7686 B13R1.149 CC(O)CCNc1cc[nH]c(=O)n1 27a_200000755665_200000134032 [0,1,0,0,0,1|2,0,0]=4 7687 B13R1.149 CC(O)CCNc1cccc(c1)Br 34a_100000210019_100012276601 [0,1,0,0,0,1|0,0,0]=2 7688 B13R1.149 CC(O)CCNc1cccc(c1)Cl 34a_100000185859_100012276601 [0,1,0,0,0,1|0,0,0]=2 7689 B13R1.149 CC(O)CCNc1cccc(c1)F 34a_100000210047_100012276601 [0,1,0,0,0,1|0,0,0]=2 7690 B13R1.149 CC(O)CCNc1cccc(c1)I 34a_100000211102_100012276601 [0,1,0,0,0,1|0,0,0]=2 7691 B13R1.149 CC(O)CCNc1cccc(c1)O 34a_100000210217_100012276601 [0,1,0,0,0,1|0,0,0]=2 7692 B13R1.149 CC(O)CCNc1cccc(n1)F 27a_200000755665_100009815982 [0,1,0,0,0,1|1,0,0]=3 7693 B13R1.149 CC(O)CCNc1ccnc(c1)F 27a_200000755665_100009816116 [0,1,0,0,0,1|1,0,0]=3 7694 B13R1.149 CC(O)CCNc1ccnc(n1)N 27a_200000755665_100000055538 [0,1,0,0,0,1|2,0,0]=4 7695 B13R1.149 CC(O)CCNc1cncc(n1)Cl 27a_200000755665_100010892449 [0,1,0,0,0,1|2,0,0]=4 7696 B13R1.149 CC(O)CCNc1cncc(n1)F 27a_200000755665_200009863489 [0,1,0,0,0,1|2,0,0]=4 7697 B13R1.149 CC(O)CCNc1nccc(n1)N 27a_200000755665_100000757536 [0,1,0,0,0,1|2,0,0]=4 7698 B13R1.149 CC(O)CCNc1nccc(n1)O 27a_200000755665_100011649813 [0,1,0,0,0,1|2,0,0]=4 7699 B13R1.149 CC(O)CCOc1cc[nH]c(=O)c1 34a_100000032262_100012276601 [0,1,0,0,0,1|1,0,0]=3 7700 B13R1.149 CC(O)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100012276601 [0,1,0,0,0,1|1,0,0]=3 7701 B13R1.149 CC(O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100012276601 [0,1,0,0,0,1|1,0,0]=3 7702 B13R1.149 CC(O)CCOc1cccc(=O)[nH]1 34a_100000033347_100012276601 [0,1,0,0,0,1|1,0,0]=3 7703 B13R1.149 CC(O)CCOc1cccc(c1)Br 34a_100000210342_100012276601 [0,1,0,0,0,1|0,0,0]=2 7704 B13R1.149 CC(O)CCOc1cccc(c1)Br 7a_100000210342_100012276601 [0,1,0,0,0,1|0,0,0]=2 7705 B13R1.149 CC(O)CCOc1cccc(c1)Cl 34a_100000210295_100012276601 [0,1,0,0,0,1|0,0,0]=2 7706 B13R1.149 CC(O)CCOc1cccc(c1)Cl 7a_100000210295_100012276601 [0,1,0,0,0,1|0,0,0]=2 7707 B13R1.149 CC(O)CCOc1cccc(c1)F 34a_100000210426_100012276601 [0,1,0,0,0,1|0,0,0]=2 7708 B13R1.149 CC(O)CCOc1cccc(c1)F 7a_100000210426_100012276601 [0,1,0,0,0,1|0,0,0]=2 7709 B13R1.149 CC(O)CCOc1cccc(c1)I 34a_100000211634_100012276601 [0,1,0,0,0,1|0,0,0]=2 7710 B13R1.149 CC(O)CCOc1cccc(c1)I 7a_100000211634_100012276601 [0,1,0,0,0,1|0,0,0]=2 7711 B13R1.149 CC(O)CCOc1cccc(c1)N 34a_100000210217_100012276601 [0,1,0,0,0,1|0,0,0]=2 7712 B13R1.149 CC(O)CCOc1cccc(n1)F 34a_100011432558_100012276601 [0,1,0,0,0,1|1,0,0]=3 7713 B13R1.149 CC(O)CCOc1ccnc(c1)Cl 34a_100000762945_100012276601 [0,1,0,0,0,1|1,0,0]=3 7714 B13R1.149 CC(O)CCOc1ccnc(c1)F 34a_100000732698_100012276601 [0,1,0,0,0,1|1,0,0]=3 7715 B13R1.149 CC(O)CCOc1ccnc(c1)N 34a_100011834064_100012276601 [0,1,0,0,0,1|1,0,0]=3 7716 B13R1.149 CC(O)CCOc1cncc(c1)Br 34a_100000754920_100012276601 [0,1,0,0,0,1|1,0,0]=3 7717 B13R1.149 CC(O)CCOc1cncc(c1)Br 7a_100000754920_100012276601 [0,1,0,0,0,1|1,0,0]=3 7718 B13R1.149 CC(O)CCOc1cncc(c1)Cl 7a_100000032511_100012276601 [0,1,0,0,0,1|1,0,0]=3 7719 B13R1.149 CC(O)CCOc1cncc(c1)F 34a_100011830296_100012276601 [0,1,0,0,0,1|1,0,0]=3 7720 B13R1.149 CC(O)CCOc1cncc(c1)F 7a_100011830296_100012276601 [0,1,0,0,0,1|1,0,0]=3 7721 B13R1.149 CC(O)CCOc1cncc(c1)N 34a_100011997051_100012276601 [0,1,0,0,0,1|1,0,0]=3 7722 B13R1.149 CC(O)CCOc1cnnc(c1)Cl 34a_200010734679_100012276601 [0,1,0,0,0,1|2,0,0]=4 7723 B13R1.149 CC(O)CCOc1cnnc(c1)N 34a_200015193112_100012276601 [0,1,0,0,0,1|2,0,0]=4 7724 B13R1.149 CC(O)CCSc1c[n+](ccn1)[O-] 62a_100012276601_100009880115 [0,1,0,0,0,1|2,0,0]=4 7725 B13R1.149 CC(O)CCSc1cc(=O)[nH]cn1 62a_100012002517_100012276601 [0,1,0,0,0,1|2,0,0]=4 7726 B13R1.149 CC(O)CCSc1cc(=O)cc[nH]1 62a_100009817434_100012276601 [0,1,0,0,0,1|1,0,0]=3 7727 B13R1.149 CC(O)CCSc1cc(ccn1)Cl 62a_100010167805_100012276601 [0,1,0,0,0,1|1,0,0]=3 7728 B13R1.149 CC(O)CCSc1cc(ccn1)Cl 62a_100012276601_100010167805 [0,1,0,0,0,1|1,0,0]=3 7729 B13R1.149 CC(O)CCSc1cc(ccn1)F 62a_100000764206_100012276601 [0,1,0,0,0,1|1,0,0]=3 7730 B13R1.149 CC(O)CCSc1cc(ccn1)F 62a_100012276601_100000764206 [0,1,0,0,0,1|1,0,0]=3 7731 B13R1.149 CC(O)CCSc1cc(ccn1)N 62a_100009814236_100012276601 [0,1,0,0,0,1|1,0,0]=3 7732 B13R1.149 CC(O)CCSc1cc(ccn1)N 62a_100012276601_100009814236 [0,1,0,0,0,1|1,0,0]=3 7733 B13R1.149 CC(O)CCSc1cc(ccn1)O 62a_100012276601_100000762945 [0,1,0,0,0,1|1,0,0]=3 7734 B13R1.149 CC(O)CCSc1cc(cnn1)N 62a_100011996757_100012276601 [0,1,0,0,0,1|2,0,0]=4 7735 B13R1.149 CC(O)CCSc1cc(cnn1)N 62a_100012276601_100011996757 [0,1,0,0,0,1|2,0,0]=4 7736 B13R1.149 CC(O)CCSc1cc(cnn1)O 62a_100012276601_200010734679 [0,1,0,0,0,1|2,0,0]=4 7737 B13R1.149 CC(O)CCSc1cc(ncn1)Cl 62a_100010161198_100012276601 [0,1,0,0,0,1|2,0,0]=4 7738 B13R1.149 CC(O)CCSc1cc(ncn1)Cl 62a_100012276601_100010161198 [0,1,0,0,0,1|2,0,0]=4 7739 B13R1.149 CC(O)CCSc1cc(ncn1)F 62a_100012276601_200009880791 [0,1,0,0,0,1|2,0,0]=4 7740 B13R1.149 CC(O)CCSc1cc(ncn1)F 62a_200009880791_100012276601 [0,1,0,0,0,1|2,0,0]=4 7741 B13R1.149 CC(O)CCSc1cc(ncn1)N 62a_100000701291_100012276601 [0,1,0,0,0,1|2,0,0]=4 7742 B13R1.149 CC(O)CCSc1cc(ncn1)N 62a_100012276601_100000701291 [0,1,0,0,0,1|2,0,0]=4 7743 B13R1.149 CC(O)CCSc1cc(ncn1)O 62a_100012276601_100000765262 [0,1,0,0,0,1|2,0,0]=4 7744 B13R1.149 CC(O)CCSc1cc[nH]c(=O)c1 62a_100009816521_100012276601 [0,1,0,0,0,1|1,0,0]=3 7745 B13R1.149 CC(O)CCSc1cc[nH]c(=O)c1 62a_100012276601_100009816521 [0,1,0,0,0,1|1,0,0]=3 7746 B13R1.149 CC(O)CCSc1cc[nH]c(=O)n1 62a_100012276601_200000134032 [0,1,0,0,0,1|2,0,0]=4 7747 B13R1.149 CC(O)CCSc1ccc[n+](c1)C 62a_100009996589_100012276601 [0,1,0,0,0,1|1,0,0]=3 7748 B13R1.149 CC(O)CCSc1ccc[n+](c1)C 62a_100012276601_100009996589 [0,1,0,0,0,1|1,0,0]=3 7749 B13R1.149 CC(O)CCSc1ccc[n+](c1)[O-] 62a_100012276601_100009815978 [0,1,0,0,0,1|1,0,0]=3 7750 B13R1.149 CC(O)CCSc1cccc(=O)[nH]1 62a_100012276601_100000752884 [0,1,0,0,0,1|1,0,0]=3 7751 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100000691529_100012276601 [0,1,0,0,0,1|0,0,0]=2 7752 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100012276601_100000691529 [0,1,0,0,0,1|0,0,0]=2 7753 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100000699651_100012276601 [0,1,0,0,0,1|0,0,0]=2 7754 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100012276601_100000699651 [0,1,0,0,0,1|0,0,0]=2 7755 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100000685547_100012276601 [0,1,0,0,0,1|0,0,0]=2 7756 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100012276601_100000685547 [0,1,0,0,0,1|0,0,0]=2 7757 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100000210019_100012276601 [0,1,0,0,0,1|0,0,0]=2 7758 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100012276601_100000210019 [0,1,0,0,0,1|0,0,0]=2 7759 B13R1.149 CC(O)CCSc1cccc(c1)O 62a_100012276601_100000211634 [0,1,0,0,0,1|0,0,0]=2 7760 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_100012276601_114929384022 [0,1,0,0,0,1|0,0,0]=2 7761 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_114929384022_100012276601 [0,1,0,0,0,1|0,0,0]=2 7762 B13R1.149 CC(O)CCSc1cccc(n1)Br 62a_100000684672_100012276601 [0,1,0,0,0,1|1,0,0]=3 7763 B13R1.149 CC(O)CCSc1cccc(n1)Br 62a_100012276601_100000684672 [0,1,0,0,0,1|1,0,0]=3 7764 B13R1.149 CC(O)CCSc1cccc(n1)Cl 62a_100000051397_100012276601 [0,1,0,0,0,1|1,0,0]=3 7765 B13R1.149 CC(O)CCSc1cccc(n1)Cl 62a_100012276601_100000051397 [0,1,0,0,0,1|1,0,0]=3 7766 B13R1.149 CC(O)CCSc1cccc(n1)F 62a_100009815982_100012276601 [0,1,0,0,0,1|1,0,0]=3 7767 B13R1.149 CC(O)CCSc1cccc(n1)F 62a_100012276601_100009815982 [0,1,0,0,0,1|1,0,0]=3 7768 B13R1.149 CC(O)CCSc1cccc(n1)N 62a_100000740741_100012276601 [0,1,0,0,0,1|1,0,0]=3 7769 B13R1.149 CC(O)CCSc1cccc(n1)N 62a_100012276601_100000740741 [0,1,0,0,0,1|1,0,0]=3 7770 B13R1.149 CC(O)CCSc1ccnc(c1)Br 62a_100009814637_100012276601 [0,1,0,0,0,1|1,0,0]=3 7771 B13R1.149 CC(O)CCSc1ccnc(c1)Br 62a_100012276601_100009814637 [0,1,0,0,0,1|1,0,0]=3 7772 B13R1.149 CC(O)CCSc1ccnc(c1)Cl 62a_100000035001_100012276601 [0,1,0,0,0,1|1,0,0]=3 7773 B13R1.149 CC(O)CCSc1ccnc(c1)Cl 62a_100012276601_100000035001 [0,1,0,0,0,1|1,0,0]=3 7774 B13R1.149 CC(O)CCSc1ccnc(c1)F 62a_100009816116_100012276601 [0,1,0,0,0,1|1,0,0]=3 7775 B13R1.149 CC(O)CCSc1ccnc(c1)F 62a_100012276601_100009816116 [0,1,0,0,0,1|1,0,0]=3 7776 B13R1.149 CC(O)CCSc1ccnc(c1)N 62a_100000049665_100012276601 [0,1,0,0,0,1|1,0,0]=3 7777 B13R1.149 CC(O)CCSc1ccnc(c1)N 62a_100012276601_100000049665 [0,1,0,0,0,1|1,0,0]=3 7778 B13R1.149 CC(O)CCSc1ccnc(n1)Cl 62a_100010154678_100012276601 [0,1,0,0,0,1|2,0,0]=4 7779 B13R1.149 CC(O)CCSc1ccnc(n1)Cl 62a_100012276601_100010154678 [0,1,0,0,0,1|2,0,0]=4 7780 B13R1.149 CC(O)CCSc1ccnc(n1)N 62a_100000055538_100012276601 [0,1,0,0,0,1|2,0,0]=4 7781 B13R1.149 CC(O)CCSc1ccnc(n1)N 62a_100012276601_100000055538 [0,1,0,0,0,1|2,0,0]=4 7782 B13R1.149 CC(O)CCSc1cn[nH]c(=O)c1 62a_100012276601_100010197405 [0,1,0,0,0,1|2,0,0]=4 7783 B13R1.149 CC(O)CCSc1cncc(c1)Br 62a_100000728054_100012276601 [0,1,0,0,0,1|1,0,0]=3 7784 B13R1.149 CC(O)CCSc1cncc(c1)Br 62a_100012276601_100000728054 [0,1,0,0,0,1|1,0,0]=3 7785 B13R1.149 CC(O)CCSc1cncc(c1)Cl 62a_100000049639_100012276601 [0,1,0,0,0,1|1,0,0]=3 7786 B13R1.149 CC(O)CCSc1cncc(c1)Cl 62a_100012276601_100000049639 [0,1,0,0,0,1|1,0,0]=3 7787 B13R1.149 CC(O)CCSc1cncc(c1)F 62a_100000744099_100012276601 [0,1,0,0,0,1|1,0,0]=3 7788 B13R1.149 CC(O)CCSc1cncc(c1)F 62a_100012276601_100000744099 [0,1,0,0,0,1|1,0,0]=3 7789 B13R1.149 CC(O)CCSc1cncc(c1)N 62a_100000687067_100012276601 [0,1,0,0,0,1|1,0,0]=3 7790 B13R1.149 CC(O)CCSc1cncc(c1)N 62a_100012276601_100000687067 [0,1,0,0,0,1|1,0,0]=3 7791 B13R1.149 CC(O)CCSc1cncc(c1)O 62a_100000754920_100012276601 [0,1,0,0,0,1|1,0,0]=3 7792 B13R1.149 CC(O)CCSc1cncc(c1)O 62a_100012276601_100000754920 [0,1,0,0,0,1|1,0,0]=3 7793 B13R1.149 CC(O)CCSc1cncc(n1)Cl 62a_100010892449_100012276601 [0,1,0,0,0,1|2,0,0]=4 7794 B13R1.149 CC(O)CCSc1cncc(n1)Cl 62a_100012276601_100010892449 [0,1,0,0,0,1|2,0,0]=4 7795 B13R1.149 CC(O)CCSc1cncc(n1)F 62a_100012276601_200009863489 [0,1,0,0,0,1|2,0,0]=4 7796 B13R1.149 CC(O)CCSc1cncc(n1)F 62a_200009863489_100012276601 [0,1,0,0,0,1|2,0,0]=4 7797 B13R1.149 CC(O)CCSc1cncc(n1)N 62a_100000747728_100012276601 [0,1,0,0,0,1|2,0,0]=4 7798 B13R1.149 CC(O)CCSc1cncc(n1)N 62a_100012276601_100000747728 [0,1,0,0,0,1|2,0,0]=4 7799 B13R1.149 CC(O)CCSc1cncc(n1)O 62a_100012276601_100011269956 [0,1,0,0,0,1|2,0,0]=4 7800 B13R1.149 CC(O)CCSc1cnnc(c1)N 62a_100000130277_100012276601 [0,1,0,0,0,1|2,0,0]=4 7801 B13R1.149 CC(O)CCSc1cnnc(c1)N 62a_100012276601_100000130277 [0,1,0,0,0,1|2,0,0]=4 7802 B13R1.149 CC(O)CCSc1nccc(n1)N 62a_100000757536_100012276601 [0,1,0,0,0,1|2,0,0]=4 7803 B13R1.149 CC(O)CCSc1nccc(n1)N 62a_100012276601_100000757536 [0,1,0,0,0,1|2,0,0]=4 7804 B13R1.149 CC(O)CCSc1nccc(n1)O 62a_100012276601_100011649813 [0,1,0,0,0,1|2,0,0]=4 7805 B13R1.149 CC(O)CNCc1cc(ccn1)Br 2230a_100000210904_100010173614 [0,1,0,0,0,1|1,0,0]=3 7806 B13R1.149 CC(O)CNCc1cc(ccn1)Br 270004a_100000210904_100009818557 [0,1,0,0,0,1|1,0,0]=3 7807 B13R1.149 CC(O)CNCc1cc(ccn1)Br 34a_100000210904_100010173614 [0,1,0,0,0,1|1,0,0]=3 7808 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 2230a_100000210904_100016988179 [0,1,0,0,0,1|1,0,0]=3 7809 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 270004a_100000210904_100011998288 [0,1,0,0,0,1|1,0,0]=3 7810 B13R1.149 CC(O)CNCc1cc(ccn1)Cl 34a_100000210904_100016988179 [0,1,0,0,0,1|1,0,0]=3 7811 B13R1.149 CC(O)CNCc1cccc(=O)[nH]1 207a_100000210904_100011935257 [0,1,0,0,0,1|1,0,0]=3 7812 B13R1.149 CC(O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100011218427 [0,1,0,0,0,1|1,0,0]=3 7813 B13R1.149 CC(O)CNCc1cccc(c1)Br 207a_100000210904_100000210085 [0,1,0,0,0,1|0,0,0]=2 7814 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000174977_100011218427 [0,1,0,0,0,1|0,0,0]=2 7815 B13R1.149 CC(O)CNCc1cccc(c1)Br 2230a_100000210904_100000698116 [0,1,0,0,0,1|0,0,0]=2 7816 B13R1.149 CC(O)CNCc1cccc(c1)Br 270004a_100000210904_100000210085 [0,1,0,0,0,1|0,0,0]=2 7817 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000174977_100011218427 [0,1,0,0,0,1|0,0,0]=2 7818 B13R1.149 CC(O)CNCc1cccc(c1)Br 34a_100000210904_100000698116 [0,1,0,0,0,1|0,0,0]=2 7819 B13R1.149 CC(O)CNCc1cccc(c1)Cl 207a_100000210904_100000210801 [0,1,0,0,0,1|0,0,0]=2 7820 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000174878_100011218427 [0,1,0,0,0,1|0,0,0]=2 7821 B13R1.149 CC(O)CNCc1cccc(c1)Cl 2230a_100000210904_100000181238 [0,1,0,0,0,1|0,0,0]=2 7822 B13R1.149 CC(O)CNCc1cccc(c1)Cl 270004a_100000210904_100000210801 [0,1,0,0,0,1|0,0,0]=2 7823 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000174878_100011218427 [0,1,0,0,0,1|0,0,0]=2 7824 B13R1.149 CC(O)CNCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,1,0,0,0,1|0,0,0]=2 7825 B13R1.149 CC(O)CNCc1cccc(c1)F 207a_100000210904_100000210812 [0,1,0,0,0,1|0,0,0]=2 7826 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000174948_100011218427 [0,1,0,0,0,1|0,0,0]=2 7827 B13R1.149 CC(O)CNCc1cccc(c1)F 2230a_100000210904_100000230114 [0,1,0,0,0,1|0,0,0]=2 7828 B13R1.149 CC(O)CNCc1cccc(c1)F 270004a_100000210904_100000210812 [0,1,0,0,0,1|0,0,0]=2 7829 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000174948_100011218427 [0,1,0,0,0,1|0,0,0]=2 7830 B13R1.149 CC(O)CNCc1cccc(c1)F 34a_100000210904_100000187166 [0,1,0,0,0,1|0,0,0]=2 7831 B13R1.149 CC(O)CNCc1cccc(c1)I 207a_100000210904_100000014684 [0,1,0,0,0,1|0,0,0]=2 7832 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000106179_100011218427 [0,1,0,0,0,1|0,0,0]=2 7833 B13R1.149 CC(O)CNCc1cccc(c1)I 2230a_100000210904_100011218688 [0,1,0,0,0,1|0,0,0]=2 7834 B13R1.149 CC(O)CNCc1cccc(c1)I 270004a_100000210904_100000014684 [0,1,0,0,0,1|0,0,0]=2 7835 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000106179_100011218427 [0,1,0,0,0,1|0,0,0]=2 7836 B13R1.149 CC(O)CNCc1cccc(c1)I 34a_100000210904_100011218688 [0,1,0,0,0,1|0,0,0]=2 7837 B13R1.149 CC(O)CNCc1cccc(c1)O 207a_100000210904_100000188321 [0,1,0,0,0,1|0,0,0]=2 7838 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000210904_100011660834 [0,1,0,0,0,1|0,0,0]=2 7839 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000743036_100011218427 [0,1,0,0,0,1|0,0,0]=2 7840 B13R1.149 CC(O)CNCc1cccc(c1)O 270004a_100000210904_100000188321 [0,1,0,0,0,1|0,0,0]=2 7841 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000210904_100011660834 [0,1,0,0,0,1|0,0,0]=2 7842 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000743036_100011218427 [0,1,0,0,0,1|0,0,0]=2 7843 B13R1.149 CC(O)CNCc1cccc(n1)Br 2230a_100000210904_100009889011 [0,1,0,0,0,1|1,0,0]=3 7844 B13R1.149 CC(O)CNCc1cccc(n1)Br 2230a_100016987751_100011218427 [0,1,0,0,0,1|1,0,0]=3 7845 B13R1.149 CC(O)CNCc1cccc(n1)Br 270004a_100000210904_100000688028 [0,1,0,0,0,1|1,0,0]=3 7846 B13R1.149 CC(O)CNCc1cccc(n1)Br 34a_100000210904_100009889011 [0,1,0,0,0,1|1,0,0]=3 7847 B13R1.149 CC(O)CNCc1cccc(n1)Cl 2230a_100000210904_100000086093 [0,1,0,0,0,1|1,0,0]=3 7848 B13R1.149 CC(O)CNCc1cccc(n1)Cl 2230a_100016990191_100011218427 [0,1,0,0,0,1|1,0,0]=3 7849 B13R1.149 CC(O)CNCc1cccc(n1)Cl 270004a_100000210904_100011361687 [0,1,0,0,0,1|1,0,0]=3 7850 B13R1.149 CC(O)CNCc1cccc(n1)Cl 34a_100000210904_100000086093 [0,1,0,0,0,1|1,0,0]=3 7851 B13R1.149 CC(O)CNCc1cccc(n1)F 2230a_100000210904_100009819644 [0,1,0,0,0,1|1,0,0]=3 7852 B13R1.149 CC(O)CNCc1cccc(n1)F 2230a_100015188798_100011218427 [0,1,0,0,0,1|1,0,0]=3 7853 B13R1.149 CC(O)CNCc1cccc(n1)F 270004a_100000210904_100000050434 [0,1,0,0,0,1|1,0,0]=3 7854 B13R1.149 CC(O)CNCc1cccc(n1)F 34a_100000210904_100009819644 [0,1,0,0,0,1|1,0,0]=3 7855 B13R1.149 CC(O)CNCc1cccc(n1)F 34a_100015188798_100011218427 [0,1,0,0,0,1|1,0,0]=3 7856 B13R1.149 CC(O)CNCc1ccnc(c1)Br 2230a_100000210904_100010243470 [0,1,0,0,0,1|1,0,0]=3 7857 B13R1.149 CC(O)CNCc1ccnc(c1)Br 2230a_100025757509_100011218427 [0,1,0,0,0,1|1,0,0]=3 7858 B13R1.149 CC(O)CNCc1ccnc(c1)Br 270004a_100000210904_100009814634 [0,1,0,0,0,1|1,0,0]=3 7859 B13R1.149 CC(O)CNCc1ccnc(c1)Br 34a_100000210904_100010243470 [0,1,0,0,0,1|1,0,0]=3 7860 B13R1.149 CC(O)CNCc1ccnc(c1)Br 34a_100025757509_100011218427 [0,1,0,0,0,1|1,0,0]=3 7861 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 2230a_100000210904_100000764220 [0,1,0,0,0,1|1,0,0]=3 7862 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 2230a_100015205668_100011218427 [0,1,0,0,0,1|1,0,0]=3 7863 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 270004a_100000210904_100011290808 [0,1,0,0,0,1|1,0,0]=3 7864 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 34a_100000210904_100000764220 [0,1,0,0,0,1|1,0,0]=3 7865 B13R1.149 CC(O)CNCc1ccnc(c1)Cl 34a_100015205668_100011218427 [0,1,0,0,0,1|1,0,0]=3 7866 B13R1.149 CC(O)CNCc1ccnc(c1)F 2230a_100015188774_100011218427 [0,1,0,0,0,1|1,0,0]=3 7867 B13R1.149 CC(O)CNCc1ccnc(c1)F 270004a_100000210904_100000068331 [0,1,0,0,0,1|1,0,0]=3 7868 B13R1.149 CC(O)CNCc1ccnc(c1)F 34a_100015188774_100011218427 [0,1,0,0,0,1|1,0,0]=3 7869 B13R1.149 CC(O)CNCc1ccnc(c1)O 207a_100000210904_100000688113 [0,1,0,0,0,1|1,0,0]=3 7870 B13R1.149 CC(O)CNCc1ccnc(n1)Cl 2230a_100000210904_100000099655 [0,1,0,0,0,1|2,0,0]=4 7871 B13R1.149 CC(O)CNCc1ccnc(n1)Cl 34a_100000210904_100000099655 [0,1,0,0,0,1|2,0,0]=4 7872 B13R1.149 CC(O)CNCc1cncc(c1)Br 207a_100000210904_100000687066 [0,1,0,0,0,1|1,0,0]=3 7873 B13R1.149 CC(O)CNCc1cncc(c1)Br 2230a_100000210904_100000738771 [0,1,0,0,0,1|1,0,0]=3 7874 B13R1.149 CC(O)CNCc1cncc(c1)Br 270004a_100000210904_100000687066 [0,1,0,0,0,1|1,0,0]=3 7875 B13R1.149 CC(O)CNCc1cncc(c1)Br 34a_100000210904_100000738771 [0,1,0,0,0,1|1,0,0]=3 7876 B13R1.149 CC(O)CNCc1cncc(c1)Cl 207a_100000210904_100000088910 [0,1,0,0,0,1|1,0,0]=3 7877 B13R1.149 CC(O)CNCc1cncc(c1)Cl 2230a_100000210904_100016992070 [0,1,0,0,0,1|1,0,0]=3 7878 B13R1.149 CC(O)CNCc1cncc(c1)Cl 2230a_200020614424_100011218427 [0,1,0,0,0,1|1,0,0]=3 7879 B13R1.149 CC(O)CNCc1cncc(c1)Cl 270004a_100000210904_100000088910 [0,1,0,0,0,1|1,0,0]=3 7880 B13R1.149 CC(O)CNCc1cncc(c1)Cl 34a_100000210904_100016992070 [0,1,0,0,0,1|1,0,0]=3 7881 B13R1.149 CC(O)CNCc1cncc(c1)F 207a_100000210904_100011361476 [0,1,0,0,0,1|1,0,0]=3 7882 B13R1.149 CC(O)CNCc1cncc(c1)F 2230a_100000210904_100000725299 [0,1,0,0,0,1|1,0,0]=3 7883 B13R1.149 CC(O)CNCc1cncc(c1)F 2230a_100011962886_100011218427 [0,1,0,0,0,1|1,0,0]=3 7884 B13R1.149 CC(O)CNCc1cncc(c1)F 270004a_100000210904_100011361476 [0,1,0,0,0,1|1,0,0]=3 7885 B13R1.149 CC(O)CNCc1cncc(c1)F 34a_100000210904_100000725299 [0,1,0,0,0,1|1,0,0]=3 7886 B13R1.149 CC(O)CNCc1cncc(c1)F 34a_100011962886_100011218427 [0,1,0,0,0,1|1,0,0]=3 7887 B13R1.149 CC(O)CNCc1cncc(c1)O 207a_100000210904_100012187055 [0,1,0,0,0,1|1,0,0]=3 7888 B13R1.149 CC(O)CNCc1cncc(c1)O 270004a_100000210904_100012187055 [0,1,0,0,0,1|1,0,0]=3 7889 B13R1.149 CC(O)COCc1cc(ccn1)Cl 34a_100000748867_100011218427 [0,1,0,0,0,1|1,0,0]=3 7890 B13R1.149 CC(O)COCc1cc(ccn1)N 34a_100000692640_100011218427 [0,1,0,0,0,1|1,0,0]=3 7891 B13R1.149 CC(O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100011218427 [0,1,0,0,0,1|1,0,0]=3 7892 B13R1.149 CC(O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100011218427 [0,1,0,0,0,1|1,0,0]=3 7893 B13R1.149 CC(O)COCc1cccc(c1)Br 34a_100000687537_100011218427 [0,1,0,0,0,1|0,0,0]=2 7894 B13R1.149 CC(O)COCc1cccc(c1)Br 7a_100000687537_100011218427 [0,1,0,0,0,1|0,0,0]=2 7895 B13R1.149 CC(O)COCc1cccc(c1)Cl 34a_100000241301_100011218427 [0,1,0,0,0,1|0,0,0]=2 7896 B13R1.149 CC(O)COCc1cccc(c1)Cl 7a_100000241301_100011218427 [0,1,0,0,0,1|0,0,0]=2 7897 B13R1.149 CC(O)COCc1cccc(c1)F 34a_100000210976_100011218427 [0,1,0,0,0,1|0,0,0]=2 7898 B13R1.149 CC(O)COCc1cccc(c1)F 7a_100000210976_100011218427 [0,1,0,0,0,1|0,0,0]=2 7899 B13R1.149 CC(O)COCc1cccc(c1)I 34a_100011215336_100011218427 [0,1,0,0,0,1|0,0,0]=2 7900 B13R1.149 CC(O)COCc1cccc(c1)I 7a_100011215336_100011218427 [0,1,0,0,0,1|0,0,0]=2 7901 B13R1.149 CC(O)COCc1cccc(c1)N 34a_100000211919_100011218427 [0,1,0,0,0,1|0,0,0]=2 7902 B13R1.149 CC(O)COCc1cccc(n1)Br 34a_100000694195_100011218427 [0,1,0,0,0,1|1,0,0]=3 7903 B13R1.149 CC(O)COCc1cccc(n1)Cl 34a_100011998359_100011218427 [0,1,0,0,0,1|1,0,0]=3 7904 B13R1.149 CC(O)COCc1cccc(n1)F 34a_100000086748_100011218427 [0,1,0,0,0,1|1,0,0]=3 7905 B13R1.149 CC(O)COCc1ccnc(c1)Br 34a_100009814636_100011218427 [0,1,0,0,0,1|1,0,0]=3 7906 B13R1.149 CC(O)COCc1ccnc(c1)Br 7a_100009814636_100011218427 [0,1,0,0,0,1|1,0,0]=3 7907 B13R1.149 CC(O)COCc1ccnc(c1)Cl 34a_100000748751_100011218427 [0,1,0,0,0,1|1,0,0]=3 7908 B13R1.149 CC(O)COCc1ccnc(c1)F 34a_100000082451_100011218427 [0,1,0,0,0,1|1,0,0]=3 7909 B13R1.149 CC(O)COCc1cncc(c1)Br 34a_100011259137_100011218427 [0,1,0,0,0,1|1,0,0]=3 7910 B13R1.149 CC(O)COCc1cncc(c1)Br 7a_100011259137_100011218427 [0,1,0,0,0,1|1,0,0]=3 7911 B13R1.149 CC(O)COCc1cncc(c1)Cl 34a_100000092867_100011218427 [0,1,0,0,0,1|1,0,0]=3 7912 B13R1.149 CC(O)COCc1cncc(c1)Cl 7a_100000092867_100011218427 [0,1,0,0,0,1|1,0,0]=3 7913 B13R1.149 CC(O)COCc1cncc(c1)F 34a_100011962875_100011218427 [0,1,0,0,0,1|1,0,0]=3 7914 B13R1.149 CC(O)COCc1cncc(c1)F 7a_100011962875_100011218427 [0,1,0,0,0,1|1,0,0]=3 7915 B13R1.149 CC(O)COCc1cncc(c1)N 34a_100000085308_100011218427 [0,1,0,0,0,1|1,0,0]=3 7916 B13R1.149 CC(O)CSCc1cc(ccn1)Br 62a_100010173614_100011218427 [0,1,0,0,0,1|1,0,0]=3 7917 B13R1.149 CC(O)CSCc1cc(ccn1)Br 62a_100011218427_100010173614 [0,1,0,0,0,1|1,0,0]=3 7918 B13R1.149 CC(O)CSCc1cc(ccn1)Cl 62a_100011218427_100016988179 [0,1,0,0,0,1|1,0,0]=3 7919 B13R1.149 CC(O)CSCc1cc(ccn1)Cl 62a_100016988179_100011218427 [0,1,0,0,0,1|1,0,0]=3 7920 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100000211773_100011218427 [0,1,0,0,0,1|0,0,0]=2 7921 B13R1.149 CC(O)CSCc1cccc(c1)Br 62a_100011218427_100000211773 [0,1,0,0,0,1|0,0,0]=2 7922 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100000187163_100011218427 [0,1,0,0,0,1|0,0,0]=2 7923 B13R1.149 CC(O)CSCc1cccc(c1)Cl 62a_100011218427_100000187163 [0,1,0,0,0,1|0,0,0]=2 7924 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100000230114_100011218427 [0,1,0,0,0,1|0,0,0]=2 7925 B13R1.149 CC(O)CSCc1cccc(c1)F 62a_100011218427_100000230114 [0,1,0,0,0,1|0,0,0]=2 7926 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218427_100011218688 [0,1,0,0,0,1|0,0,0]=2 7927 B13R1.149 CC(O)CSCc1cccc(c1)I 62a_100011218688_100011218427 [0,1,0,0,0,1|0,0,0]=2 7928 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011218427_100011660834 [0,1,0,0,0,1|0,0,0]=2 7929 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011660834_100011218427 [0,1,0,0,0,1|0,0,0]=2 7930 B13R1.149 CC(O)CSCc1cccc(n1)Br 62a_100009889011_100011218427 [0,1,0,0,0,1|1,0,0]=3 7931 B13R1.149 CC(O)CSCc1cccc(n1)Br 62a_100011218427_100009889011 [0,1,0,0,0,1|1,0,0]=3 7932 B13R1.149 CC(O)CSCc1cccc(n1)Cl 62a_100000086093_100011218427 [0,1,0,0,0,1|1,0,0]=3 7933 B13R1.149 CC(O)CSCc1cccc(n1)Cl 62a_100011218427_100000086093 [0,1,0,0,0,1|1,0,0]=3 7934 B13R1.149 CC(O)CSCc1cccc(n1)F 62a_100009819644_100011218427 [0,1,0,0,0,1|1,0,0]=3 7935 B13R1.149 CC(O)CSCc1cccc(n1)F 62a_100011218427_100009819644 [0,1,0,0,0,1|1,0,0]=3 7936 B13R1.149 CC(O)CSCc1ccnc(c1)Br 62a_100010254460_100011218427 [0,1,0,0,0,1|1,0,0]=3 7937 B13R1.149 CC(O)CSCc1ccnc(c1)Br 62a_100011218427_100010243470 [0,1,0,0,0,1|1,0,0]=3 7938 B13R1.149 CC(O)CSCc1ccnc(c1)Cl 62a_100000764220_100011218427 [0,1,0,0,0,1|1,0,0]=3 7939 B13R1.149 CC(O)CSCc1ccnc(c1)Cl 62a_100011218427_100000764220 [0,1,0,0,0,1|1,0,0]=3 7940 B13R1.149 CC(O)CSCc1ccnc(n1)Cl 62a_100000099655_100011218427 [0,1,0,0,0,1|2,0,0]=4 7941 B13R1.149 CC(O)CSCc1ccnc(n1)Cl 62a_100011218427_100000099655 [0,1,0,0,0,1|2,0,0]=4 7942 B13R1.149 CC(O)CSCc1cncc(c1)Br 62a_100000738771_100011218427 [0,1,0,0,0,1|1,0,0]=3 7943 B13R1.149 CC(O)CSCc1cncc(c1)Br 62a_100011218427_100000738771 [0,1,0,0,0,1|1,0,0]=3 7944 B13R1.149 CC(O)CSCc1cncc(c1)Cl 62a_100011218427_100016992070 [0,1,0,0,0,1|1,0,0]=3 7945 B13R1.149 CC(O)CSCc1cncc(c1)Cl 62a_100016992070_100011218427 [0,1,0,0,0,1|1,0,0]=3 7946 B13R1.149 CC(O)CSCc1cncc(c1)F 62a_100000725299_100011218427 [0,1,0,0,0,1|1,0,0]=3 7947 B13R1.149 CC(O)CSCc1cncc(c1)F 62a_100011218427_100000725299 [0,1,0,0,0,1|1,0,0]=3 7948 B13R1.149 CN(C)CCCc1cccc(c1)Br 2230a_100102631434_100011713683 [0,1,0,0,0,1|2,0,0]=4 7949 B13R1.149 CN(C)CCCc1cccc(c1)Br 269982a_100102631434_100011713683 [0,1,0,0,0,1|2,0,0]=4 7950 B13R1.149 CN(C)CCCc1cccc(c1)F 2230a_100102631434_200000698031 [0,1,0,0,0,1|2,0,0]=4 7951 B13R1.149 CN(C)CCCc1cccc(c1)F 269982a_100102631434_200000698031 [0,1,0,0,0,1|2,0,0]=4 7952 B13R1.149 CN(C)CCOc1cccc(c1)Br 2230a_100102631434_100000183150 [0,1,0,0,0,1|2,0,0]=4 7953 B13R1.149 CN(C)CCOc1cccc(c1)Br 2230a_200000225663_200000210301 [0,1,0,0,0,1|2,0,0]=4 7954 B13R1.149 CN(C)CCOc1cccc(c1)Br 269982a_100102631434_100000183150 [0,1,0,0,0,1|2,0,0]=4 7955 B13R1.149 CN(C)CCOc1cccc(c1)Br 269982a_200000225663_200000210301 [0,1,0,0,0,1|2,0,0]=4 7956 B13R1.149 CN(C)CCOc1cccc(c1)Br 34a_200000225663_200000210301 [0,1,0,0,0,1|2,0,0]=4 7957 B13R1.149 CN(C)CCOc1cccc(c1)Br 7a_100000210342_100000755713 [0,1,0,0,0,1|2,0,0]=4 7958 B13R1.149 CN(C)CCOc1cccc(c1)Cl 2230a_100000225664_200000210301 [0,1,0,0,0,1|2,0,0]=4 7959 B13R1.149 CN(C)CCOc1cccc(c1)Cl 2230a_100102631434_100000181161 [0,1,0,0,0,1|2,0,0]=4 7960 B13R1.149 CN(C)CCOc1cccc(c1)Cl 269982a_100000225664_200000210301 [0,1,0,0,0,1|2,0,0]=4 7961 B13R1.149 CN(C)CCOc1cccc(c1)Cl 269982a_100102631434_100000181161 [0,1,0,0,0,1|2,0,0]=4 7962 B13R1.149 CN(C)CCOc1cccc(c1)Cl 34a_100000225664_200000210301 [0,1,0,0,0,1|2,0,0]=4 7963 B13R1.149 CN(C)CCOc1cccc(c1)Cl 7a_100000210295_100000755713 [0,1,0,0,0,1|2,0,0]=4 7964 B13R1.149 CN(C)CCOc1cccc(c1)F 2230a_100102631434_100000739188 [0,1,0,0,0,1|2,0,0]=4 7965 B13R1.149 CN(C)CCOc1cccc(c1)F 269982a_100102631434_100000739188 [0,1,0,0,0,1|2,0,0]=4 7966 B13R1.149 CN(C)CCOc1cccc(c1)F 7a_100000210426_100000755713 [0,1,0,0,0,1|2,0,0]=4 7967 B13R1.149 CN(C)CCOc1cccc(c1)I 7a_100000211634_100000755713 [0,1,0,0,0,1|2,0,0]=4 7968 B13R1.149 CN(C)CCOc1cccc(c1)O 271570a_203496583355_100138557206 [0,1,0,0,0,1|2,0,0]=4 7969 B13R1.149 CN(C)CCSc1cccc(c1)Br 62a_100000691529_100000755713 [0,1,0,0,0,1|2,0,0]=4 7970 B13R1.149 CN(C)CCSc1cccc(c1)Cl 62a_100000699651_100000755713 [0,1,0,0,0,1|2,0,0]=4 7971 B13R1.149 CN(C)CCSc1cccc(c1)F 62a_100000685547_100000755713 [0,1,0,0,0,1|2,0,0]=4 7972 B13R1.149 CN(C)CCSc1cccc(c1)N 62a_100000210019_100000755713 [0,1,0,0,0,1|2,0,0]=4 7973 B13R1.149 CN(C)CCSc1cccc(c1)[S] 62a_114929384022_100000755713 [0,1,0,0,0,1|2,0,0]=4 7974 B13R1.149 CN([13CH3])CCOc1cccc(c1)Br 2230a_200000225663_200025704644 [0,1,0,0,0,1|2,0,0]=4 7975 B13R1.149 CN([13CH3])CCOc1cccc(c1)Br 269982a_200000225663_200025704644 [0,1,0,0,0,1|2,0,0]=4 7976 B13R1.149 CN([13CH3])CCOc1cccc(c1)Br 34a_200000225663_200025704644 [0,1,0,0,0,1|2,0,0]=4 7977 B13R1.149 CN([13CH3])CCOc1cccc(c1)Cl 2230a_100000225664_200025704644 [0,1,0,0,0,1|2,0,0]=4 7978 B13R1.149 CN([13CH3])CCOc1cccc(c1)Cl 269982a_100000225664_200025704644 [0,1,0,0,0,1|2,0,0]=4 7979 B13R1.149 CN([13CH3])CCOc1cccc(c1)Cl 34a_100000225664_200025704644 [0,1,0,0,0,1|2,0,0]=4 7980 B13R1.149 C[C@@H](Cl)COCc1cc(ccn1)Br 34a_100016084084_100010173614 [0,1,0,0,0,1|2,0,0]=4 7981 B13R1.149 C[C@@H](Cl)COCc1cc(ccn1)Cl 34a_100016084084_100016988179 [0,1,0,0,0,1|2,0,0]=4 7982 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)Br 34a_100016084084_100000698116 [0,1,0,0,0,1|1,0,0]=3 7983 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)Cl 34a_100016084084_100000187163 [0,1,0,0,0,1|1,0,0]=3 7984 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)F 34a_100016084084_100000187166 [0,1,0,0,0,1|1,0,0]=3 7985 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)I 34a_100016084084_100011218688 [0,1,0,0,0,1|1,0,0]=3 7986 B13R1.149 C[C@@H](Cl)COCc1cccc(c1)O 34a_100016084084_100011660834 [0,1,0,0,0,1|1,0,0]=3 7987 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)Br 34a_100016084084_100009889011 [0,1,0,0,0,1|2,0,0]=4 7988 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)Cl 34a_100016084084_100000086093 [0,1,0,0,0,1|2,0,0]=4 7989 B13R1.149 C[C@@H](Cl)COCc1cccc(n1)F 34a_100016084084_100009819644 [0,1,0,0,0,1|2,0,0]=4 7990 B13R1.149 C[C@@H](Cl)COCc1ccnc(c1)Br 34a_100016084084_100010243470 [0,1,0,0,0,1|2,0,0]=4 7991 B13R1.149 C[C@@H](Cl)COCc1ccnc(c1)Cl 34a_100016084084_100000764220 [0,1,0,0,0,1|2,0,0]=4 7992 B13R1.149 C[C@@H](Cl)COCc1cncc(c1)Br 34a_100016084084_100000738771 [0,1,0,0,0,1|2,0,0]=4 7993 B13R1.149 C[C@@H](Cl)COCc1cncc(c1)Cl 34a_100016084084_100016992070 [0,1,0,0,0,1|2,0,0]=4 7994 B13R1.149 C[C@@H](Cl)COCc1cncc(c1)F 34a_100016084084_100000725299 [0,1,0,0,0,1|2,0,0]=4 7995 B13R1.149 C[C@@H](N)COCc1cc(ccn1)Br 34a_100000737577_100010173614 [0,1,0,0,0,1|2,0,0]=4 7996 B13R1.149 C[C@@H](N)COCc1cc(ccn1)Cl 34a_100000737577_100016988179 [0,1,0,0,0,1|2,0,0]=4 7997 B13R1.149 C[C@@H](N)COCc1cccc(c1)Br 34a_100000737577_100000698116 [0,1,0,0,0,1|1,0,0]=3 7998 B13R1.149 C[C@@H](N)COCc1cccc(c1)Cl 34a_100000737577_100000187163 [0,1,0,0,0,1|1,0,0]=3 7999 B13R1.149 C[C@@H](N)COCc1cccc(c1)F 34a_100000737577_100000187166 [0,1,0,0,0,1|1,0,0]=3 8000 B13R1.149 C[C@@H](N)COCc1cccc(c1)I 34a_100000737577_100011218688 [0,1,0,0,0,1|1,0,0]=3 8001 B13R1.149 C[C@@H](N)COCc1cccc(c1)O 34a_100000737577_100011660834 [0,1,0,0,0,1|1,0,0]=3 8002 B13R1.149 C[C@@H](N)COCc1cccc(n1)Br 34a_100000737577_100009889011 [0,1,0,0,0,1|2,0,0]=4 8003 B13R1.149 C[C@@H](N)COCc1cccc(n1)Cl 34a_100000737577_100000086093 [0,1,0,0,0,1|2,0,0]=4 8004 B13R1.149 C[C@@H](N)COCc1cccc(n1)F 34a_100000737577_100009819644 [0,1,0,0,0,1|2,0,0]=4 8005 B13R1.149 C[C@@H](N)COCc1ccnc(c1)Br 34a_100000737577_100010243470 [0,1,0,0,0,1|2,0,0]=4 8006 B13R1.149 C[C@@H](N)COCc1ccnc(c1)Cl 34a_100000737577_100000764220 [0,1,0,0,0,1|2,0,0]=4 8007 B13R1.149 C[C@@H](N)COCc1cncc(c1)Br 34a_100000737577_100000738771 [0,1,0,0,0,1|2,0,0]=4 8008 B13R1.149 C[C@@H](N)COCc1cncc(c1)Cl 34a_100000737577_100016992070 [0,1,0,0,0,1|2,0,0]=4 8009 B13R1.149 C[C@@H](N)COCc1cncc(c1)F 34a_100000737577_100000725299 [0,1,0,0,0,1|2,0,0]=4 8010 B13R1.149 C[C@@H](O)CNCc1cccc(=O)[nH]1 2230a_100000696482_100009817552 [0,1,0,0,0,1|1,0,0]=3 8011 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 2230a_100000174977_100009817552 [0,1,0,0,0,1|0,0,0]=2 8012 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Br 34a_100000174977_100009817552 [0,1,0,0,0,1|0,0,0]=2 8013 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 2230a_100000174878_100009817552 [0,1,0,0,0,1|0,0,0]=2 8014 B13R1.149 C[C@@H](O)CNCc1cccc(c1)Cl 34a_100000174878_100009817552 [0,1,0,0,0,1|0,0,0]=2 8015 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 2230a_100000174948_100009817552 [0,1,0,0,0,1|0,0,0]=2 8016 B13R1.149 C[C@@H](O)CNCc1cccc(c1)F 34a_100000174948_100009817552 [0,1,0,0,0,1|0,0,0]=2 8017 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 2230a_100000106179_100009817552 [0,1,0,0,0,1|0,0,0]=2 8018 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I 34a_100000106179_100009817552 [0,1,0,0,0,1|0,0,0]=2 8019 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 2230a_100000743036_100009817552 [0,1,0,0,0,1|0,0,0]=2 8020 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 34a_100000743036_100009817552 [0,1,0,0,0,1|0,0,0]=2 8021 B13R1.149 C[C@@H](O)CNCc1cccc(n1)Br 2230a_100016987751_100009817552 [0,1,0,0,0,1|1,0,0]=3 8022 B13R1.149 C[C@@H](O)CNCc1cccc(n1)Cl 2230a_100016990191_100009817552 [0,1,0,0,0,1|1,0,0]=3 8023 B13R1.149 C[C@@H](O)CNCc1cccc(n1)F 2230a_100015188798_100009817552 [0,1,0,0,0,1|1,0,0]=3 8024 B13R1.149 C[C@@H](O)CNCc1cccc(n1)F 34a_100015188798_100009817552 [0,1,0,0,0,1|1,0,0]=3 8025 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Br 2230a_100025757509_100009817552 [0,1,0,0,0,1|1,0,0]=3 8026 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Br 34a_100025757509_100009817552 [0,1,0,0,0,1|1,0,0]=3 8027 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Cl 2230a_100015205668_100009817552 [0,1,0,0,0,1|1,0,0]=3 8028 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)Cl 34a_100015205668_100009817552 [0,1,0,0,0,1|1,0,0]=3 8029 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)F 2230a_100015188774_100009817552 [0,1,0,0,0,1|1,0,0]=3 8030 B13R1.149 C[C@@H](O)CNCc1ccnc(c1)F 34a_100015188774_100009817552 [0,1,0,0,0,1|1,0,0]=3 8031 B13R1.149 C[C@@H](O)CNCc1cncc(c1)Cl 2230a_200020614424_100009817552 [0,1,0,0,0,1|1,0,0]=3 8032 B13R1.149 C[C@@H](O)CNCc1cncc(c1)F 2230a_100011962886_100009817552 [0,1,0,0,0,1|1,0,0]=3 8033 B13R1.149 C[C@@H](O)CNCc1cncc(c1)F 34a_100011962886_100009817552 [0,1,0,0,0,1|1,0,0]=3 8034 B13R1.149 C[C@@H](O)COCc1cc(ccn1)Cl 34a_100000748867_100009817552 [0,1,0,0,0,1|1,0,0]=3 8035 B13R1.149 C[C@@H](O)COCc1cc(ccn1)N 34a_100000692640_100009817552 [0,1,0,0,0,1|1,0,0]=3 8036 B13R1.149 C[C@@H](O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100009817552 [0,1,0,0,0,1|1,0,0]=3 8037 B13R1.149 C[C@@H](O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100009817552 [0,1,0,0,0,1|1,0,0]=3 8038 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 34a_100000687537_100009817552 [0,1,0,0,0,1|0,0,0]=2 8039 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 7a_100000687537_100009817552 [0,1,0,0,0,1|0,0,0]=2 8040 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 34a_100000241301_100009817552 [0,1,0,0,0,1|0,0,0]=2 8041 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 7a_100000241301_100009817552 [0,1,0,0,0,1|0,0,0]=2 8042 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 34a_100000210976_100009817552 [0,1,0,0,0,1|0,0,0]=2 8043 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 7a_100000210976_100009817552 [0,1,0,0,0,1|0,0,0]=2 8044 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 34a_100011215336_100009817552 [0,1,0,0,0,1|0,0,0]=2 8045 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 7a_100011215336_100009817552 [0,1,0,0,0,1|0,0,0]=2 8046 B13R1.149 C[C@@H](O)COCc1cccc(c1)N 34a_100000211919_100009817552 [0,1,0,0,0,1|0,0,0]=2 8047 B13R1.149 C[C@@H](O)COCc1cccc(n1)Br 34a_100000694195_100009817552 [0,1,0,0,0,1|1,0,0]=3 8048 B13R1.149 C[C@@H](O)COCc1cccc(n1)Cl 34a_100011998359_100009817552 [0,1,0,0,0,1|1,0,0]=3 8049 B13R1.149 C[C@@H](O)COCc1cccc(n1)F 34a_100000086748_100009817552 [0,1,0,0,0,1|1,0,0]=3 8050 B13R1.149 C[C@@H](O)COCc1ccnc(c1)Br 34a_100009814636_100009817552 [0,1,0,0,0,1|1,0,0]=3 8051 B13R1.149 C[C@@H](O)COCc1ccnc(c1)Br 7a_100009814636_100009817552 [0,1,0,0,0,1|1,0,0]=3 8052 B13R1.149 C[C@@H](O)COCc1ccnc(c1)Cl 34a_100000748751_100009817552 [0,1,0,0,0,1|1,0,0]=3 8053 B13R1.149 C[C@@H](O)COCc1ccnc(c1)F 34a_100000082451_100009817552 [0,1,0,0,0,1|1,0,0]=3 8054 B13R1.149 C[C@@H](O)COCc1cncc(c1)Br 34a_100011259137_100009817552 [0,1,0,0,0,1|1,0,0]=3 8055 B13R1.149 C[C@@H](O)COCc1cncc(c1)Br 7a_100011259137_100009817552 [0,1,0,0,0,1|1,0,0]=3 8056 B13R1.149 C[C@@H](O)COCc1cncc(c1)Cl 34a_100000092867_100009817552 [0,1,0,0,0,1|1,0,0]=3 8057 B13R1.149 C[C@@H](O)COCc1cncc(c1)Cl 7a_100000092867_100009817552 [0,1,0,0,0,1|1,0,0]=3 8058 B13R1.149 C[C@@H](O)COCc1cncc(c1)F 34a_100011962875_100009817552 [0,1,0,0,0,1|1,0,0]=3 8059 B13R1.149 C[C@@H](O)COCc1cncc(c1)F 7a_100011962875_100009817552 [0,1,0,0,0,1|1,0,0]=3 8060 B13R1.149 C[C@@H](O)COCc1cncc(c1)N 34a_100000085308_100009817552 [0,1,0,0,0,1|1,0,0]=3 8061 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Br 62a_100009817552_100010173614 [0,1,0,0,0,1|1,0,0]=3 8062 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Br 62a_100010173614_100009817552 [0,1,0,0,0,1|1,0,0]=3 8063 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Cl 62a_100009817552_100016988179 [0,1,0,0,0,1|1,0,0]=3 8064 B13R1.149 C[C@@H](O)CSCc1cc(ccn1)Cl 62a_100016988179_100009817552 [0,1,0,0,0,1|1,0,0]=3 8065 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100000211773_100009817552 [0,1,0,0,0,1|0,0,0]=2 8066 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Br 62a_100009817552_100000211773 [0,1,0,0,0,1|0,0,0]=2 8067 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100000187163_100009817552 [0,1,0,0,0,1|0,0,0]=2 8068 B13R1.149 C[C@@H](O)CSCc1cccc(c1)Cl 62a_100009817552_100000187163 [0,1,0,0,0,1|0,0,0]=2 8069 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100000230114_100009817552 [0,1,0,0,0,1|0,0,0]=2 8070 B13R1.149 C[C@@H](O)CSCc1cccc(c1)F 62a_100009817552_100000230114 [0,1,0,0,0,1|0,0,0]=2 8071 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100009817552_100011218688 [0,1,0,0,0,1|0,0,0]=2 8072 B13R1.149 C[C@@H](O)CSCc1cccc(c1)I 62a_100011218688_100009817552 [0,1,0,0,0,1|0,0,0]=2 8073 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100009817552_100011660834 [0,1,0,0,0,1|0,0,0]=2 8074 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100011660834_100009817552 [0,1,0,0,0,1|0,0,0]=2 8075 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Br 62a_100009817552_100009889011 [0,1,0,0,0,1|1,0,0]=3 8076 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Br 62a_100009889011_100009817552 [0,1,0,0,0,1|1,0,0]=3 8077 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Cl 62a_100000086093_100009817552 [0,1,0,0,0,1|1,0,0]=3 8078 B13R1.149 C[C@@H](O)CSCc1cccc(n1)Cl 62a_100009817552_100000086093 [0,1,0,0,0,1|1,0,0]=3 8079 B13R1.149 C[C@@H](O)CSCc1cccc(n1)F 62a_100009817552_100009819644 [0,1,0,0,0,1|1,0,0]=3 8080 B13R1.149 C[C@@H](O)CSCc1cccc(n1)F 62a_100009819644_100009817552 [0,1,0,0,0,1|1,0,0]=3 8081 B13R1.149 C[C@@H](O)CSCc1ccnc(c1)Br 62a_100009817552_100010243470 [0,1,0,0,0,1|1,0,0]=3 8082 B13R1.149 C[C@@H](O)CSCc1ccnc(c1)Br 62a_100010254460_100009817552 [0,1,0,0,0,1|1,0,0]=3 8083 B13R1.149 C[C@@H](O)CSCc1ccnc(c1)Cl 62a_100000764220_100009817552 [0,1,0,0,0,1|1,0,0]=3 8084 B13R1.149 C[C@@H](O)CSCc1ccnc(c1)Cl 62a_100009817552_100000764220 [0,1,0,0,0,1|1,0,0]=3 8085 B13R1.149 C[C@@H](O)CSCc1ccnc(n1)Cl 62a_100000099655_100009817552 [0,1,0,0,0,1|2,0,0]=4 8086 B13R1.149 C[C@@H](O)CSCc1ccnc(n1)Cl 62a_100009817552_100000099655 [0,1,0,0,0,1|2,0,0]=4 8087 B13R1.149 C[C@@H](O)CSCc1cncc(c1)Br 62a_100000738771_100009817552 [0,1,0,0,0,1|1,0,0]=3 8088 B13R1.149 C[C@@H](O)CSCc1cncc(c1)Br 62a_100009817552_100000738771 [0,1,0,0,0,1|1,0,0]=3 8089 B13R1.149 C[C@@H](O)CSCc1cncc(c1)Cl 62a_100009817552_100016992070 [0,1,0,0,0,1|1,0,0]=3 8090 B13R1.149 C[C@@H](O)CSCc1cncc(c1)Cl 62a_100016992070_100009817552 [0,1,0,0,0,1|1,0,0]=3 8091 B13R1.149 C[C@@H](O)CSCc1cncc(c1)F 62a_100000725299_100009817552 [0,1,0,0,0,1|1,0,0]=3 8092 B13R1.149 C[C@@H](O)CSCc1cncc(c1)F 62a_100009817552_100000725299 [0,1,0,0,0,1|1,0,0]=3 8093 B13R1.149 Cc1cc(ccn1)CNCC(C)C 207a_100000210953_100011361630 [0,1,0,0,0,1|2,0,0]=4 8094 B13R1.149 Cc1cc(ccn1)CNCC(C)C 2230a_100000210953_200020672517 [0,1,0,0,0,1|2,0,0]=4 8095 B13R1.149 Cc1cc(ccn1)CNCC(C)C 270004a_100000210953_100011361630 [0,1,0,0,0,1|2,0,0]=4 8096 B13R1.149 Cc1cc(ccn1)CNCC(C)C 270004a_100011934566_100000210432 [0,1,0,0,0,1|2,0,0]=4 8097 B13R1.149 Cc1cc(ccn1)CNCC(C)C 34a_100000210953_200020672517 [0,1,0,0,0,1|2,0,0]=4 8098 B13R1.149 Cc1cc(ccn1)CNCC(C)C 34a_100011934566_100000210624 [0,1,0,0,0,1|2,0,0]=4 8099 B13R1.149 Cc1cc(ccn1)CNCC(C)O 207a_100000210904_100011361630 [0,1,0,0,0,1|1,0,0]=3 8100 B13R1.149 Cc1cc(ccn1)CNCC(C)O 2230a_100000210904_200020672517 [0,1,0,0,0,1|1,0,0]=3 8101 B13R1.149 Cc1cc(ccn1)CNCC(C)O 270004a_100000210904_100011361630 [0,1,0,0,0,1|1,0,0]=3 8102 B13R1.149 Cc1cc(ccn1)CNCC(C)O 34a_100000210904_200020672517 [0,1,0,0,0,1|1,0,0]=3 8103 B13R1.149 Cc1cc(ccn1)CNCC(C)O 34a_100011934566_100011218427 [0,1,0,0,0,1|1,0,0]=3 8104 B13R1.149 Cc1cc(ccn1)CNC[C@@H](C)O 34a_100011934566_100009817552 [0,1,0,0,0,1|1,0,0]=3 8105 B13R1.149 Cc1cc(ccn1)COCC(C)Br 34a_100012180447_200020672517 [0,1,0,0,0,1|2,0,0]=4 8106 B13R1.149 Cc1cc(ccn1)COCC(C)C 34a_100000210257_200020672517 [0,1,0,0,0,1|2,0,0]=4 8107 B13R1.149 Cc1cc(ccn1)COCC(C)C 34a_100011998630_100000210624 [0,1,0,0,0,1|2,0,0]=4 8108 B13R1.149 Cc1cc(ccn1)COCC(C)F 34a_100015925927_200020672517 [0,1,0,0,0,1|2,0,0]=4 8109 B13R1.149 Cc1cc(ccn1)COCC(C)O 34a_100011998630_100011218427 [0,1,0,0,0,1|1,0,0]=3 8110 B13R1.149 Cc1cc(ccn1)COC[C@@H](C)Cl 34a_100016084084_200020672517 [0,1,0,0,0,1|2,0,0]=4 8111 B13R1.149 Cc1cc(ccn1)COC[C@@H](C)N 34a_100000737577_200020672517 [0,1,0,0,0,1|2,0,0]=4 8112 B13R1.149 Cc1cc(ccn1)COC[C@@H](C)O 34a_100011998630_100009817552 [0,1,0,0,0,1|1,0,0]=3 8113 B13R1.149 Cc1cc(ccn1)CSCC(C)C 62a_100000210624_200020672517 [0,1,0,0,0,1|2,0,0]=4 8114 B13R1.149 Cc1cc(ccn1)CSCC(C)C 62a_200020672517_100000210760 [0,1,0,0,0,1|2,0,0]=4 8115 B13R1.149 Cc1cc(ccn1)CSCC(C)O 62a_100011218427_200020672517 [0,1,0,0,0,1|1,0,0]=3 8116 B13R1.149 Cc1cc(ccn1)CSCC(C)O 62a_200020672517_100011218427 [0,1,0,0,0,1|1,0,0]=3 8117 B13R1.149 Cc1cc(ccn1)CSC[C@@H](C)O 62a_100009817552_200020672517 [0,1,0,0,0,1|1,0,0]=3 8118 B13R1.149 Cc1cc(ccn1)CSC[C@@H](C)O 62a_200020672517_100009817552 [0,1,0,0,0,1|1,0,0]=3 8119 B13R1.149 Cc1cc(ccn1)NCCC(C)C 27a_100000210545_100000758586 [0,1,0,0,0,1|2,0,0]=4 8120 B13R1.149 Cc1cc(ccn1)NCCC(C)O 27a_200000755665_100000758586 [0,1,0,0,0,1|1,0,0]=3 8121 B13R1.149 Cc1cc(ccn1)OCCC(C)C 34a_100000688365_100000210312 [0,1,0,0,0,1|2,0,0]=4 8122 B13R1.149 Cc1cc(ccn1)OCCC(C)O 34a_100000688365_100012276601 [0,1,0,0,0,1|1,0,0]=3 8123 B13R1.149 Cc1cc(ccn1)SCCC(C)C 62a_100000210312_100000758586 [0,1,0,0,0,1|2,0,0]=4 8124 B13R1.149 Cc1cc(ccn1)SCCC(C)C 62a_100000758586_100000210312 [0,1,0,0,0,1|2,0,0]=4 8125 B13R1.149 Cc1cc(ccn1)SCCC(C)O 62a_100000758586_100012276601 [0,1,0,0,0,1|1,0,0]=3 8126 B13R1.149 Cc1cc(ccn1)SCCC(C)O 62a_100012276601_100000758586 [0,1,0,0,0,1|1,0,0]=3 8127 B13R1.149 Cc1cc(ncn1)NCCC(C)O 27a_200000755665_100000744208 [0,1,0,0,0,1|2,0,0]=4 8128 B13R1.149 Cc1cc(ncn1)SCCC(C)O 62a_100000744208_100012276601 [0,1,0,0,0,1|2,0,0]=4 8129 B13R1.149 Cc1cc(ncn1)SCCC(C)O 62a_100012276601_100000744208 [0,1,0,0,0,1|2,0,0]=4 8130 B13R1.149 Cc1cccc(c1)C=CCC(C)C 271570a_100016259101_100011215228 [0,1,0,0,0,1|1,0,1]=4 8131 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100000749837_100000210206 [0,1,0,0,0,1|1,0,0]=3 8132 B13R1.149 Cc1cccc(c1)CCNC(C)C 2230a_100138425928_100011713685 [0,1,0,0,0,1|1,0,0]=3 8133 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100000749837_100000210206 [0,1,0,0,0,1|1,0,0]=3 8134 B13R1.149 Cc1cccc(c1)CCNC(C)C 34a_100138425928_100011713685 [0,1,0,0,0,1|1,0,0]=3 8135 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100000212225_100011713685 [0,1,0,0,0,1|1,0,0]=3 8136 B13R1.149 Cc1cccc(c1)CCOC(C)C 34a_100011217157_100000210206 [0,1,0,0,0,1|1,0,0]=3 8137 B13R1.149 Cc1cccc(c1)CCOC(C)C 7a_100011217157_100000210206 [0,1,0,0,0,1|1,0,0]=3 8138 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100000210206_100011713685 [0,1,0,0,0,1|1,0,0]=3 8139 B13R1.149 Cc1cccc(c1)CCSC(C)C 62a_100011713685_100000210206 [0,1,0,0,0,1|1,0,0]=3 8140 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,1,0,0,0,1|1,0,1]=4 8141 B13R1.149 Cc1cccc(c1)CNCC(C)C 207a_100000210953_100000211157 [0,1,0,0,0,1|1,0,0]=3 8142 B13R1.149 Cc1cccc(c1)CNCC(C)C 2230a_100000185548_100000210760 [0,1,0,0,0,1|1,0,0]=3 8143 B13R1.149 Cc1cccc(c1)CNCC(C)C 2230a_100000210953_100000211840 [0,1,0,0,0,1|1,0,0]=3 8144 B13R1.149 Cc1cccc(c1)CNCC(C)C 270004a_100000185548_100000210432 [0,1,0,0,0,1|1,0,0]=3 8145 B13R1.149 Cc1cccc(c1)CNCC(C)C 270004a_100000210953_100000211157 [0,1,0,0,0,1|1,0,0]=3 8146 B13R1.149 Cc1cccc(c1)CNCC(C)C 34a_100000185548_100000210624 [0,1,0,0,0,1|1,0,0]=3 8147 B13R1.149 Cc1cccc(c1)CNCC(C)C 34a_100000210953_100000211840 [0,1,0,0,0,1|1,0,0]=3 8148 B13R1.149 Cc1cccc(c1)CNCC(C)O 207a_100000210904_100000211157 [0,1,0,0,0,1|0,0,0]=2 8149 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000185548_100011218427 [0,1,0,0,0,1|0,0,0]=2 8150 B13R1.149 Cc1cccc(c1)CNCC(C)O 2230a_100000210904_100000211840 [0,1,0,0,0,1|0,0,0]=2 8151 B13R1.149 Cc1cccc(c1)CNCC(C)O 270004a_100000210904_100000211157 [0,1,0,0,0,1|0,0,0]=2 8152 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000185548_100011218427 [0,1,0,0,0,1|0,0,0]=2 8153 B13R1.149 Cc1cccc(c1)CNCC(C)O 34a_100000210904_100000211840 [0,1,0,0,0,1|0,0,0]=2 8154 B13R1.149 Cc1cccc(c1)CNCC(F)F 207a_100000765723_100000211157 [0,1,0,0,0,1|2,0,0]=4 8155 B13R1.149 Cc1cccc(c1)CNCC(F)F 2230a_100000185548_100011934356 [0,1,0,0,0,1|2,0,0]=4 8156 B13R1.149 Cc1cccc(c1)CNCC(F)F 270004a_100000765723_100000211157 [0,1,0,0,0,1|2,0,0]=4 8157 B13R1.149 Cc1cccc(c1)CNCC(F)F 34a_100000185548_100011934356 [0,1,0,0,0,1|2,0,0]=4 8158 B13R1.149 Cc1cccc(c1)CNCC(F)F 34a_100000765723_100000211840 [0,1,0,0,0,1|2,0,0]=4 8159 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 2230a_100000185548_100009817552 [0,1,0,0,0,1|0,0,0]=2 8160 B13R1.149 Cc1cccc(c1)CNC[C@@H](C)O 34a_100000185548_100009817552 [0,1,0,0,0,1|0,0,0]=2 8161 B13R1.149 Cc1cccc(c1)COCC(C)Br 34a_100012180447_100000211840 [0,1,0,0,0,1|1,0,0]=3 8162 B13R1.149 Cc1cccc(c1)COCC(C)C 34a_100000210257_100000211840 [0,1,0,0,0,1|1,0,0]=3 8163 B13R1.149 Cc1cccc(c1)COCC(C)C 34a_100011217746_100000210624 [0,1,0,0,0,1|1,0,0]=3 8164 B13R1.149 Cc1cccc(c1)COCC(C)C 7a_100011217746_100000210760 [0,1,0,0,0,1|1,0,0]=3 8165 B13R1.149 Cc1cccc(c1)COCC(C)F 34a_100015925927_100000211840 [0,1,0,0,0,1|1,0,0]=3 8166 B13R1.149 Cc1cccc(c1)COCC(C)O 34a_100011217746_100011218427 [0,1,0,0,0,1|0,0,0]=2 8167 B13R1.149 Cc1cccc(c1)COCC(C)O 7a_100011217746_100011218427 [0,1,0,0,0,1|0,0,0]=2 8168 B13R1.149 Cc1cccc(c1)COCC(F)F 34a_100000743014_100000211840 [0,1,0,0,0,1|2,0,0]=4 8169 B13R1.149 Cc1cccc(c1)COCC(F)F 34a_100011217746_100011934356 [0,1,0,0,0,1|2,0,0]=4 8170 B13R1.149 Cc1cccc(c1)COCC(F)F 7a_100011217746_100011934356 [0,1,0,0,0,1|2,0,0]=4 8171 B13R1.149 Cc1cccc(c1)COC[C@@H](C)Cl 34a_100016084084_100000211840 [0,1,0,0,0,1|1,0,0]=3 8172 B13R1.149 Cc1cccc(c1)COC[C@@H](C)N 34a_100000737577_100000211840 [0,1,0,0,0,1|1,0,0]=3 8173 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 34a_100011217746_100009817552 [0,1,0,0,0,1|0,0,0]=2 8174 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 7a_100011217746_100009817552 [0,1,0,0,0,1|0,0,0]=2 8175 B13R1.149 Cc1cccc(c1)CSCC(C)C 62a_100000210624_100000211840 [0,1,0,0,0,1|1,0,0]=3 8176 B13R1.149 Cc1cccc(c1)CSCC(C)C 62a_100000211840_100000210760 [0,1,0,0,0,1|1,0,0]=3 8177 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100000211840_100011218427 [0,1,0,0,0,1|0,0,0]=2 8178 B13R1.149 Cc1cccc(c1)CSCC(C)O 62a_100011218427_100000211840 [0,1,0,0,0,1|0,0,0]=2 8179 B13R1.149 Cc1cccc(c1)CSCC(F)F 62a_100000211840_100011934356 [0,1,0,0,0,1|2,0,0]=4 8180 B13R1.149 Cc1cccc(c1)CSCC(F)F 62a_100011934356_100000211840 [0,1,0,0,0,1|2,0,0]=4 8181 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100000211840_100009817552 [0,1,0,0,0,1|0,0,0]=2 8182 B13R1.149 Cc1cccc(c1)CSC[C@@H](C)O 62a_100009817552_100000211840 [0,1,0,0,0,1|0,0,0]=2 8183 B13R1.149 Cc1cccc(c1)NCCC(C)C 2230a_100000188690_100000210312 [0,1,0,0,0,1|1,0,0]=3 8184 B13R1.149 Cc1cccc(c1)NCCC(C)C 34a_100000188690_100000210312 [0,1,0,0,0,1|1,0,0]=3 8185 B13R1.149 Cc1cccc(c1)NCCC(C)O 2230a_100000188690_100012276601 [0,1,0,0,0,1|0,0,0]=2 8186 B13R1.149 Cc1cccc(c1)NCCC(C)O 34a_100000188690_100012276601 [0,1,0,0,0,1|0,0,0]=2 8187 B13R1.149 Cc1cccc(c1)NCOC(C)C 2230a_100000188690_100000709892 [0,1,0,0,0,1|2,0,0]=4 8188 B13R1.149 Cc1cccc(c1)NCOC(C)C 34a_100000188690_100000709892 [0,1,0,0,0,1|2,0,0]=4 8189 B13R1.149 Cc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000182325_200025704644 [0,1,0,0,0,1|0,0,2]=4 8190 B13R1.149 Cc1cccc(c1)OCCC(C)C 34a_100000210337_100000210312 [0,1,0,0,0,1|1,0,0]=3 8191 B13R1.149 Cc1cccc(c1)OCCC(C)C 7a_100000210337_100000210626 [0,1,0,0,0,1|1,0,0]=3 8192 B13R1.149 Cc1cccc(c1)OCCC(C)O 34a_100000210337_100012276601 [0,1,0,0,0,1|0,0,0]=2 8193 B13R1.149 Cc1cccc(c1)OCCC(C)O 7a_100000210337_100012276601 [0,1,0,0,0,1|0,0,0]=2 8194 B13R1.149 Cc1cccc(c1)OCCN(C)C 2230a_100000741895_200000210301 [0,1,0,0,0,1|2,0,0]=4 8195 B13R1.149 Cc1cccc(c1)OCCN(C)C 269982a_100000741895_200000210301 [0,1,0,0,0,1|2,0,0]=4 8196 B13R1.149 Cc1cccc(c1)OCCN(C)C 34a_100000741895_200000210301 [0,1,0,0,0,1|2,0,0]=4 8197 B13R1.149 Cc1cccc(c1)OCCN(C)C 7a_100000210337_100000755713 [0,1,0,0,0,1|2,0,0]=4 8198 B13R1.149 Cc1cccc(c1)OCCN(C)[13CH3] 2230a_100000741895_200025704644 [0,1,0,0,0,1|2,0,0]=4 8199 B13R1.149 Cc1cccc(c1)OCCN(C)[13CH3] 269982a_100000741895_200025704644 [0,1,0,0,0,1|2,0,0]=4 8200 B13R1.149 Cc1cccc(c1)OCCN(C)[13CH3] 34a_100000741895_200025704644 [0,1,0,0,0,1|2,0,0]=4 8201 B13R1.149 Cc1cccc(c1)OCOC(C)C 34a_100000210337_100000709892 [0,1,0,0,0,1|2,0,0]=4 8202 B13R1.149 Cc1cccc(c1)SCCC(C)C 62a_100000210312_100011215228 [0,1,0,0,0,1|1,0,0]=3 8203 B13R1.149 Cc1cccc(c1)SCCC(C)C 62a_100011215228_100000210312 [0,1,0,0,0,1|1,0,0]=3 8204 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100011215228_100012276601 [0,1,0,0,0,1|0,0,0]=2 8205 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100012276601_100011215228 [0,1,0,0,0,1|0,0,0]=2 8206 B13R1.149 Cc1cccc(c1)SCCN(C)C 62a_100011215228_100000755713 [0,1,0,0,0,1|2,0,0]=4 8207 B13R1.149 Cc1cccc(c1)SCOC(C)C 62a_100000709892_100011215228 [0,1,0,0,0,1|2,0,0]=4 8208 B13R1.149 Cc1cccc(c1)SCOC(C)C 62a_100011215228_100000709892 [0,1,0,0,0,1|2,0,0]=4 8209 B13R1.149 Cc1cccc(n1)CCNC(C)C 2230a_100011824523_100000210206 [0,1,0,0,0,1|2,0,0]=4 8210 B13R1.149 Cc1cccc(n1)CCNC(C)C 34a_100011824523_100000210206 [0,1,0,0,0,1|2,0,0]=4 8211 B13R1.149 Cc1cccc(n1)CNCC(C)C 207a_100000210953_100011215050 [0,1,0,0,0,1|2,0,0]=4 8212 B13R1.149 Cc1cccc(n1)CNCC(C)C 2230a_100000210953_100000757606 [0,1,0,0,0,1|2,0,0]=4 8213 B13R1.149 Cc1cccc(n1)CNCC(C)C 270004a_100000210953_100011215050 [0,1,0,0,0,1|2,0,0]=4 8214 B13R1.149 Cc1cccc(n1)CNCC(C)C 34a_100000210953_100000757606 [0,1,0,0,0,1|2,0,0]=4 8215 B13R1.149 Cc1cccc(n1)CNCC(C)C 34a_100000701342_100000210624 [0,1,0,0,0,1|2,0,0]=4 8216 B13R1.149 Cc1cccc(n1)CNCC(C)O 207a_100000210904_100011215050 [0,1,0,0,0,1|1,0,0]=3 8217 B13R1.149 Cc1cccc(n1)CNCC(C)O 2230a_100000210904_100000757606 [0,1,0,0,0,1|1,0,0]=3 8218 B13R1.149 Cc1cccc(n1)CNCC(C)O 270004a_100000210904_100011215050 [0,1,0,0,0,1|1,0,0]=3 8219 B13R1.149 Cc1cccc(n1)CNCC(C)O 34a_100000210904_100000757606 [0,1,0,0,0,1|1,0,0]=3 8220 B13R1.149 Cc1cccc(n1)CNCC(C)O 34a_100000701342_100011218427 [0,1,0,0,0,1|1,0,0]=3 8221 B13R1.149 Cc1cccc(n1)CNC[C@@H](C)O 34a_100000701342_100009817552 [0,1,0,0,0,1|1,0,0]=3 8222 B13R1.149 Cc1cccc(n1)COCC(C)Br 34a_100012180447_100000757606 [0,1,0,0,0,1|2,0,0]=4 8223 B13R1.149 Cc1cccc(n1)COCC(C)C 34a_100000210257_100000757606 [0,1,0,0,0,1|2,0,0]=4 8224 B13R1.149 Cc1cccc(n1)COCC(C)C 34a_100000690600_100000210624 [0,1,0,0,0,1|2,0,0]=4 8225 B13R1.149 Cc1cccc(n1)COCC(C)F 34a_100015925927_100000757606 [0,1,0,0,0,1|2,0,0]=4 8226 B13R1.149 Cc1cccc(n1)COCC(C)O 34a_100000690600_100011218427 [0,1,0,0,0,1|1,0,0]=3 8227 B13R1.149 Cc1cccc(n1)COC[C@@H](C)Cl 34a_100016084084_100000757606 [0,1,0,0,0,1|2,0,0]=4 8228 B13R1.149 Cc1cccc(n1)COC[C@@H](C)N 34a_100000737577_100000757606 [0,1,0,0,0,1|2,0,0]=4 8229 B13R1.149 Cc1cccc(n1)COC[C@@H](C)O 34a_100000690600_100009817552 [0,1,0,0,0,1|1,0,0]=3 8230 B13R1.149 Cc1cccc(n1)CSCC(C)C 62a_100000210624_100000757606 [0,1,0,0,0,1|2,0,0]=4 8231 B13R1.149 Cc1cccc(n1)CSCC(C)C 62a_100000757606_100000210760 [0,1,0,0,0,1|2,0,0]=4 8232 B13R1.149 Cc1cccc(n1)CSCC(C)O 62a_100000757606_100011218427 [0,1,0,0,0,1|1,0,0]=3 8233 B13R1.149 Cc1cccc(n1)CSCC(C)O 62a_100011218427_100000757606 [0,1,0,0,0,1|1,0,0]=3 8234 B13R1.149 Cc1cccc(n1)CSC[C@@H](C)O 62a_100000757606_100009817552 [0,1,0,0,0,1|1,0,0]=3 8235 B13R1.149 Cc1cccc(n1)CSC[C@@H](C)O 62a_100009817552_100000757606 [0,1,0,0,0,1|1,0,0]=3 8236 B13R1.149 Cc1cccc(n1)SCCC(C)C 62a_100000210312_100000742759 [0,1,0,0,0,1|2,0,0]=4 8237 B13R1.149 Cc1cccc(n1)SCCC(C)C 62a_100000742759_100000210312 [0,1,0,0,0,1|2,0,0]=4 8238 B13R1.149 Cc1cccc(n1)SCCC(C)O 62a_100000742759_100012276601 [0,1,0,0,0,1|1,0,0]=3 8239 B13R1.149 Cc1cccc(n1)SCCC(C)O 62a_100012276601_100000742759 [0,1,0,0,0,1|1,0,0]=3 8240 B13R1.149 Cc1ccnc(c1)CNCC(C)C 207a_100000210953_100011361488 [0,1,0,0,0,1|2,0,0]=4 8241 B13R1.149 Cc1ccnc(c1)CNCC(C)C 2230a_100000210953_100000718516 [0,1,0,0,0,1|2,0,0]=4 8242 B13R1.149 Cc1ccnc(c1)CNCC(C)C 270004a_100000210953_100011361488 [0,1,0,0,0,1|2,0,0]=4 8243 B13R1.149 Cc1ccnc(c1)CNCC(C)C 34a_100000210953_100000718516 [0,1,0,0,0,1|2,0,0]=4 8244 B13R1.149 Cc1ccnc(c1)CNCC(C)O 207a_100000210904_100011361488 [0,1,0,0,0,1|1,0,0]=3 8245 B13R1.149 Cc1ccnc(c1)CNCC(C)O 2230a_100000210904_100000718516 [0,1,0,0,0,1|1,0,0]=3 8246 B13R1.149 Cc1ccnc(c1)CNCC(C)O 270004a_100000210904_100011361488 [0,1,0,0,0,1|1,0,0]=3 8247 B13R1.149 Cc1ccnc(c1)CNCC(C)O 34a_100000210904_100000718516 [0,1,0,0,0,1|1,0,0]=3 8248 B13R1.149 Cc1ccnc(c1)COCC(C)Br 34a_100012180447_100000718516 [0,1,0,0,0,1|2,0,0]=4 8249 B13R1.149 Cc1ccnc(c1)COCC(C)C 34a_100000210257_100000718516 [0,1,0,0,0,1|2,0,0]=4 8250 B13R1.149 Cc1ccnc(c1)COCC(C)C 34a_100011998357_100000210624 [0,1,0,0,0,1|2,0,0]=4 8251 B13R1.149 Cc1ccnc(c1)COCC(C)F 34a_100015925927_100000718516 [0,1,0,0,0,1|2,0,0]=4 8252 B13R1.149 Cc1ccnc(c1)COCC(C)O 34a_100011998357_100011218427 [0,1,0,0,0,1|1,0,0]=3 8253 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)Cl 34a_100016084084_100000718516 [0,1,0,0,0,1|2,0,0]=4 8254 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)N 34a_100000737577_100000718516 [0,1,0,0,0,1|2,0,0]=4 8255 B13R1.149 Cc1ccnc(c1)COC[C@@H](C)O 34a_100011998357_100009817552 [0,1,0,0,0,1|1,0,0]=3 8256 B13R1.149 Cc1ccnc(c1)CSCC(C)C 62a_100000210624_100000718516 [0,1,0,0,0,1|2,0,0]=4 8257 B13R1.149 Cc1ccnc(c1)CSCC(C)C 62a_100000718516_100000210760 [0,1,0,0,0,1|2,0,0]=4 8258 B13R1.149 Cc1ccnc(c1)CSCC(C)O 62a_100000718516_100011218427 [0,1,0,0,0,1|1,0,0]=3 8259 B13R1.149 Cc1ccnc(c1)CSCC(C)O 62a_100011218427_100000718516 [0,1,0,0,0,1|1,0,0]=3 8260 B13R1.149 Cc1ccnc(c1)CSC[C@@H](C)O 62a_100000718516_100009817552 [0,1,0,0,0,1|1,0,0]=3 8261 B13R1.149 Cc1ccnc(c1)CSC[C@@H](C)O 62a_100009817552_100000718516 [0,1,0,0,0,1|1,0,0]=3 8262 B13R1.149 Cc1ccnc(c1)SCCC(C)C 62a_100000210312_100000750283 [0,1,0,0,0,1|2,0,0]=4 8263 B13R1.149 Cc1ccnc(c1)SCCC(C)C 62a_100000750283_100000210312 [0,1,0,0,0,1|2,0,0]=4 8264 B13R1.149 Cc1ccnc(c1)SCCC(C)O 62a_100000750283_100012276601 [0,1,0,0,0,1|1,0,0]=3 8265 B13R1.149 Cc1ccnc(c1)SCCC(C)O 62a_100012276601_100000750283 [0,1,0,0,0,1|1,0,0]=3 8266 B13R1.149 Cc1ccnc(n1)CNCC(C)O 2230a_100015186494_100011218427 [0,1,0,0,0,1|2,0,0]=4 8267 B13R1.149 Cc1ccnc(n1)CNC[C@@H](C)O 2230a_100015186494_100009817552 [0,1,0,0,0,1|2,0,0]=4 8268 B13R1.149 Cc1ccnc(n1)NCCC(C)O 27a_200000755665_100000750684 [0,1,0,0,0,1|2,0,0]=4 8269 B13R1.149 Cc1ccnc(n1)SCCC(C)O 62a_100011243806_100012276601 [0,1,0,0,0,1|2,0,0]=4 8270 B13R1.149 Cc1ccnc(n1)SCCC(C)O 62a_100012276601_100011243806 [0,1,0,0,0,1|2,0,0]=4 8271 B13R1.149 Cc1cncc(c1)CNCC(C)C 207a_100000210953_100011998712 [0,1,0,0,0,1|2,0,0]=4 8272 B13R1.149 Cc1cncc(c1)CNCC(C)C 2230a_100000210953_100000716715 [0,1,0,0,0,1|2,0,0]=4 8273 B13R1.149 Cc1cncc(c1)CNCC(C)C 2230a_100000692839_100000210760 [0,1,0,0,0,1|2,0,0]=4 8274 B13R1.149 Cc1cncc(c1)CNCC(C)C 270004a_100000210953_100011998712 [0,1,0,0,0,1|2,0,0]=4 8275 B13R1.149 Cc1cncc(c1)CNCC(C)C 270004a_100000692839_100000210432 [0,1,0,0,0,1|2,0,0]=4 8276 B13R1.149 Cc1cncc(c1)CNCC(C)C 34a_100000210953_100000716715 [0,1,0,0,0,1|2,0,0]=4 8277 B13R1.149 Cc1cncc(c1)CNCC(C)C 34a_100000692839_100000210624 [0,1,0,0,0,1|2,0,0]=4 8278 B13R1.149 Cc1cncc(c1)CNCC(C)O 207a_100000210904_100011998712 [0,1,0,0,0,1|1,0,0]=3 8279 B13R1.149 Cc1cncc(c1)CNCC(C)O 2230a_100000210904_100000716715 [0,1,0,0,0,1|1,0,0]=3 8280 B13R1.149 Cc1cncc(c1)CNCC(C)O 2230a_100000692839_100011218427 [0,1,0,0,0,1|1,0,0]=3 8281 B13R1.149 Cc1cncc(c1)CNCC(C)O 270004a_100000210904_100011998712 [0,1,0,0,0,1|1,0,0]=3 8282 B13R1.149 Cc1cncc(c1)CNCC(C)O 34a_100000210904_100000716715 [0,1,0,0,0,1|1,0,0]=3 8283 B13R1.149 Cc1cncc(c1)CNCC(C)O 34a_100000692839_100011218427 [0,1,0,0,0,1|1,0,0]=3 8284 B13R1.149 Cc1cncc(c1)CNC[C@@H](C)O 2230a_100000692839_100009817552 [0,1,0,0,0,1|1,0,0]=3 8285 B13R1.149 Cc1cncc(c1)CNC[C@@H](C)O 34a_100000692839_100009817552 [0,1,0,0,0,1|1,0,0]=3 8286 B13R1.149 Cc1cncc(c1)COCC(C)Br 34a_100012180447_100000716715 [0,1,0,0,0,1|2,0,0]=4 8287 B13R1.149 Cc1cncc(c1)COCC(C)C 34a_100000210257_100000716715 [0,1,0,0,0,1|2,0,0]=4 8288 B13R1.149 Cc1cncc(c1)COCC(C)C 34a_100011998709_100000210624 [0,1,0,0,0,1|2,0,0]=4 8289 B13R1.149 Cc1cncc(c1)COCC(C)C 7a_100011998709_100000210760 [0,1,0,0,0,1|2,0,0]=4 8290 B13R1.149 Cc1cncc(c1)COCC(C)F 34a_100015925927_100000716715 [0,1,0,0,0,1|2,0,0]=4 8291 B13R1.149 Cc1cncc(c1)COCC(C)O 34a_100011998709_100011218427 [0,1,0,0,0,1|1,0,0]=3 8292 B13R1.149 Cc1cncc(c1)COCC(C)O 7a_100011998709_100011218427 [0,1,0,0,0,1|1,0,0]=3 8293 B13R1.149 Cc1cncc(c1)COC[C@@H](C)Cl 34a_100016084084_100000716715 [0,1,0,0,0,1|2,0,0]=4 8294 B13R1.149 Cc1cncc(c1)COC[C@@H](C)N 34a_100000737577_100000716715 [0,1,0,0,0,1|2,0,0]=4 8295 B13R1.149 Cc1cncc(c1)COC[C@@H](C)O 34a_100011998709_100009817552 [0,1,0,0,0,1|1,0,0]=3 8296 B13R1.149 Cc1cncc(c1)COC[C@@H](C)O 7a_100011998709_100009817552 [0,1,0,0,0,1|1,0,0]=3 8297 B13R1.149 Cc1cncc(c1)CSCC(C)C 62a_100000210624_100000716715 [0,1,0,0,0,1|2,0,0]=4 8298 B13R1.149 Cc1cncc(c1)CSCC(C)C 62a_100000716715_100000210760 [0,1,0,0,0,1|2,0,0]=4 8299 B13R1.149 Cc1cncc(c1)CSCC(C)O 62a_100000716715_100011218427 [0,1,0,0,0,1|1,0,0]=3 8300 B13R1.149 Cc1cncc(c1)CSCC(C)O 62a_100011218427_100000716715 [0,1,0,0,0,1|1,0,0]=3 8301 B13R1.149 Cc1cncc(c1)CSC[C@@H](C)O 62a_100000716715_100009817552 [0,1,0,0,0,1|1,0,0]=3 8302 B13R1.149 Cc1cncc(c1)CSC[C@@H](C)O 62a_100009817552_100000716715 [0,1,0,0,0,1|1,0,0]=3 8303 B13R1.149 Cc1cncc(c1)OCCC(C)C 34a_100011830280_100000210312 [0,1,0,0,0,1|2,0,0]=4 8304 B13R1.149 Cc1cncc(c1)OCCC(C)C 7a_100011830280_100000210626 [0,1,0,0,0,1|2,0,0]=4 8305 B13R1.149 Cc1cncc(c1)OCCC(C)O 34a_100011830280_100012276601 [0,1,0,0,0,1|1,0,0]=3 8306 B13R1.149 Cc1cncc(c1)OCCC(C)O 7a_100011830280_100012276601 [0,1,0,0,0,1|1,0,0]=3 8307 B13R1.149 Cc1cncc(c1)SCCC(C)C 62a_100000210312_100000760492 [0,1,0,0,0,1|2,0,0]=4 8308 B13R1.149 Cc1cncc(c1)SCCC(C)C 62a_100000760492_100000210312 [0,1,0,0,0,1|2,0,0]=4 8309 B13R1.149 Cc1cncc(c1)SCCC(C)O 62a_100000760492_100012276601 [0,1,0,0,0,1|1,0,0]=3 8310 B13R1.149 Cc1cncc(c1)SCCC(C)O 62a_100012276601_100000760492 [0,1,0,0,0,1|1,0,0]=3 8311 B13R1.149 Cc1cncc(n1)CNCC(C)O 207a_100000210904_100000100294 [0,1,0,0,0,1|2,0,0]=4 8312 B13R1.149 Cc1cncc(n1)CNCC(C)O 270004a_100000210904_100000100294 [0,1,0,0,0,1|2,0,0]=4 8313 B13R1.149 Cc1cncc(n1)NCCC(C)O 27a_200000755665_100000754123 [0,1,0,0,0,1|2,0,0]=4 8314 B13R1.149 Cc1cncc(n1)SCCC(C)O 62a_100000754123_100012276601 [0,1,0,0,0,1|2,0,0]=4 8315 B13R1.149 Cc1cncc(n1)SCCC(C)O 62a_100012276601_100000754123 [0,1,0,0,0,1|2,0,0]=4 8316 B13R1.149 Cc1cnnc(c1)COCC(C)O 34a_100016212594_100011218427 [0,1,0,0,0,1|2,0,0]=4 8317 B13R1.149 Cc1cnnc(c1)COC[C@@H](C)O 34a_100016212594_100009817552 [0,1,0,0,0,1|2,0,0]=4 8318 B13R1.149 Cc1cnnc(c1)NCCC(C)O 27a_200000755665_100000070100 [0,1,0,0,0,1|2,0,0]=4 8319 B13R1.149 Cc1cnnc(c1)OCCC(C)O 34a_100000766097_100012276601 [0,1,0,0,0,1|2,0,0]=4 8320 B13R1.149 Cc1cnnc(c1)SCCC(C)O 62a_100000070100_100012276601 [0,1,0,0,0,1|2,0,0]=4 8321 B13R1.149 Cc1cnnc(c1)SCCC(C)O 62a_100012276601_100000070100 [0,1,0,0,0,1|2,0,0]=4 8322 B13R1.149 Cc1nccc(n1)CNCC(C)O 270004a_100000210904_100011361539 [0,1,0,0,0,1|2,0,0]=4 8323 B13R1.149 Cc1nccc(n1)NCCC(C)O 27a_200000755665_100000749937 [0,1,0,0,0,1|2,0,0]=4 8324 B13R1.149 Cc1nccc(n1)SCCC(C)O 62a_100000749937_100012276601 [0,1,0,0,0,1|2,0,0]=4 8325 B13R1.149 Cc1nccc(n1)SCCC(C)O 62a_100012276601_100000749937 [0,1,0,0,0,1|2,0,0]=4 8326 B13R1.149 FC(F)CNCc1cccc(c1)Br 207a_100000765723_100000210085 [0,1,0,0,0,1|2,0,0]=4 8327 B13R1.149 FC(F)CNCc1cccc(c1)Br 2230a_100000174977_100011934356 [0,1,0,0,0,1|2,0,0]=4 8328 B13R1.149 FC(F)CNCc1cccc(c1)Br 270004a_100000765723_100000210085 [0,1,0,0,0,1|2,0,0]=4 8329 B13R1.149 FC(F)CNCc1cccc(c1)Br 34a_100000174977_100011934356 [0,1,0,0,0,1|2,0,0]=4 8330 B13R1.149 FC(F)CNCc1cccc(c1)Br 34a_100000765723_100000698116 [0,1,0,0,0,1|2,0,0]=4 8331 B13R1.149 FC(F)CNCc1cccc(c1)Cl 207a_100000765723_100000210801 [0,1,0,0,0,1|2,0,0]=4 8332 B13R1.149 FC(F)CNCc1cccc(c1)Cl 2230a_100000174878_100011934356 [0,1,0,0,0,1|2,0,0]=4 8333 B13R1.149 FC(F)CNCc1cccc(c1)Cl 270004a_100000765723_100000210801 [0,1,0,0,0,1|2,0,0]=4 8334 B13R1.149 FC(F)CNCc1cccc(c1)Cl 34a_100000174878_100011934356 [0,1,0,0,0,1|2,0,0]=4 8335 B13R1.149 FC(F)CNCc1cccc(c1)Cl 34a_100000765723_100000187163 [0,1,0,0,0,1|2,0,0]=4 8336 B13R1.149 FC(F)CNCc1cccc(c1)I 207a_100000765723_100000014684 [0,1,0,0,0,1|2,0,0]=4 8337 B13R1.149 FC(F)CNCc1cccc(c1)I 2230a_100000106179_100011934356 [0,1,0,0,0,1|2,0,0]=4 8338 B13R1.149 FC(F)CNCc1cccc(c1)I 270004a_100000765723_100000014684 [0,1,0,0,0,1|2,0,0]=4 8339 B13R1.149 FC(F)CNCc1cccc(c1)I 34a_100000106179_100011934356 [0,1,0,0,0,1|2,0,0]=4 8340 B13R1.149 FC(F)CNCc1cccc(c1)I 34a_100000765723_100011218688 [0,1,0,0,0,1|2,0,0]=4 8341 B13R1.149 FC(F)COCc1cccc(c1)Br 34a_100000687537_100011934356 [0,1,0,0,0,1|2,0,0]=4 8342 B13R1.149 FC(F)COCc1cccc(c1)Br 34a_100000743014_100000698116 [0,1,0,0,0,1|2,0,0]=4 8343 B13R1.149 FC(F)COCc1cccc(c1)Br 7a_100000687537_100011934356 [0,1,0,0,0,1|2,0,0]=4 8344 B13R1.149 FC(F)COCc1cccc(c1)Cl 34a_100000241301_100011934356 [0,1,0,0,0,1|2,0,0]=4 8345 B13R1.149 FC(F)COCc1cccc(c1)Cl 34a_100000743014_100000187163 [0,1,0,0,0,1|2,0,0]=4 8346 B13R1.149 FC(F)COCc1cccc(c1)Cl 7a_100000241301_100011934356 [0,1,0,0,0,1|2,0,0]=4 8347 B13R1.149 FC(F)COCc1cccc(c1)I 34a_100000743014_100011218688 [0,1,0,0,0,1|2,0,0]=4 8348 B13R1.149 FC(F)COCc1cccc(c1)I 34a_100011215336_100011934356 [0,1,0,0,0,1|2,0,0]=4 8349 B13R1.149 FC(F)COCc1cccc(c1)I 7a_100011215336_100011934356 [0,1,0,0,0,1|2,0,0]=4 8350 B13R1.149 FC(F)CSCc1cccc(c1)Br 62a_100000211773_100011934356 [0,1,0,0,0,1|2,0,0]=4 8351 B13R1.149 FC(F)CSCc1cccc(c1)Br 62a_100011934356_100000211773 [0,1,0,0,0,1|2,0,0]=4 8352 B13R1.149 FC(F)CSCc1cccc(c1)Cl 62a_100000187163_100011934356 [0,1,0,0,0,1|2,0,0]=4 8353 B13R1.149 FC(F)CSCc1cccc(c1)Cl 62a_100011934356_100000187163 [0,1,0,0,0,1|2,0,0]=4 8354 B13R1.149 FC(F)CSCc1cccc(c1)I 62a_100011218688_100011934356 [0,1,0,0,0,1|2,0,0]=4 8355 B13R1.149 FC(F)CSCc1cccc(c1)I 62a_100011934356_100011218688 [0,1,0,0,0,1|2,0,0]=4 8356 B13R1.149 Fc1cccc(c1)CNCC(F)F 207a_100000765723_100000210812 [0,1,0,0,0,1|2,0,0]=4 8357 B13R1.149 Fc1cccc(c1)CNCC(F)F 2230a_100000174948_100011934356 [0,1,0,0,0,1|2,0,0]=4 8358 B13R1.149 Fc1cccc(c1)CNCC(F)F 270004a_100000765723_100000210812 [0,1,0,0,0,1|2,0,0]=4 8359 B13R1.149 Fc1cccc(c1)CNCC(F)F 34a_100000174948_100011934356 [0,1,0,0,0,1|2,0,0]=4 8360 B13R1.149 Fc1cccc(c1)CNCC(F)F 34a_100000765723_100000187166 [0,1,0,0,0,1|2,0,0]=4 8361 B13R1.149 Fc1cccc(c1)COCC(F)F 34a_100000210976_100011934356 [0,1,0,0,0,1|2,0,0]=4 8362 B13R1.149 Fc1cccc(c1)COCC(F)F 34a_100000743014_100000187166 [0,1,0,0,0,1|2,0,0]=4 8363 B13R1.149 Fc1cccc(c1)COCC(F)F 7a_100000210976_100011934356 [0,1,0,0,0,1|2,0,0]=4 8364 B13R1.149 Fc1cccc(c1)CSCC(F)F 62a_100000230114_100011934356 [0,1,0,0,0,1|2,0,0]=4 8365 B13R1.149 Fc1cccc(c1)CSCC(F)F 62a_100011934356_100000230114 [0,1,0,0,0,1|2,0,0]=4 8366 B13R1.149 Nc1cccc(c1)COCC(F)F 34a_100000211919_100011934356 [0,1,0,0,0,1|2,0,0]=4 8367 B13R1.149 O=C(O)CNCc1cccc(c1)Br 269956a_100016091260_100000211773 [0,1,0,0,0,1|1,0,1]=4 8368 B13R1.149 O=C(O)CNCc1cccc(c1)Cl 269956a_100016091260_100000187163 [0,1,0,0,0,1|1,0,1]=4 8369 B13R1.149 O=C(O)CNCc1cccc(c1)F 269956a_100016091260_100000230114 [0,1,0,0,0,1|1,0,1]=4 8370 B13R1.149 O=C(O)CNCc1cccc(c1)I 269956a_100016091260_100011218688 [0,1,0,0,0,1|1,0,1]=4 8371 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [0,1,0,0,0,1|1,0,1]=4 8372 B13R1.149 Oc1cccc(c1)CNCC(F)F 207a_100000765723_100000188321 [0,1,0,0,0,1|2,0,0]=4 8373 B13R1.149 Oc1cccc(c1)CNCC(F)F 2230a_100000743036_100011934356 [0,1,0,0,0,1|2,0,0]=4 8374 B13R1.149 Oc1cccc(c1)CNCC(F)F 270004a_100000765723_100000188321 [0,1,0,0,0,1|2,0,0]=4 8375 B13R1.149 Oc1cccc(c1)CNCC(F)F 34a_100000743036_100011934356 [0,1,0,0,0,1|2,0,0]=4 8376 B13R1.149 Oc1cccc(c1)CNCC(F)F 34a_100000765723_100011660834 [0,1,0,0,0,1|2,0,0]=4 8377 B13R1.149 Oc1cccc(c1)COCC(F)F 34a_100000743014_100011660834 [0,1,0,0,0,1|2,0,0]=4 8378 B13R1.149 Oc1cccc(c1)CSCC(F)F 62a_100011660834_100011934356 [0,1,0,0,0,1|2,0,0]=4 8379 B13R1.149 Oc1cccc(c1)CSCC(F)F 62a_100011934356_100011660834 [0,1,0,0,0,1|2,0,0]=4 8380 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,1,0,0,0,1|0,0,2]=4 8381 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Br 1458a_100000183437_200025704644 [0,1,0,0,0,1|0,0,2]=4 8382 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200025704644 [0,1,0,0,0,1|0,0,2]=4 8383 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)F 1458a_100000737089_200025704644 [0,1,0,0,0,1|0,0,2]=4 8384 B13R1.149 [13CH3]C(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200025704644 [0,1,0,0,0,1|0,0,2]=4 8385 B13R1.158 C=C(C)CCNc1ccccc1Br 34a_100000210017_100000730704 [0,1,0,0,0,1|1,0,1]=4 8386 B13R1.158 C=C(C)CCNc1ccccc1C 34a_100015192222_100000730704 [0,1,0,0,0,1|1,0,1]=4 8387 B13R1.158 C=C(C)CCNc1ccccc1Cl 34a_100000185783_100000730704 [0,1,0,0,0,1|1,0,1]=4 8388 B13R1.158 C=C(C)CCNc1ccccc1F 34a_100000210422_100000730704 [0,1,0,0,0,1|1,0,1]=4 8389 B13R1.158 C=C(C)CCNc1ccccc1I 34a_100000210053_100000730704 [0,1,0,0,0,1|1,0,1]=4 8390 B13R1.158 C=C(C)CCNc1ccccc1O 34a_100000185747_100000730704 [0,1,0,0,0,1|1,0,1]=4 8391 B13R1.158 C=C(C)CCOc1ccccc1Br 34a_100000181306_100000730704 [0,1,0,0,0,1|1,0,1]=4 8392 B13R1.158 C=C(C)CCOc1ccccc1Br 7a_100000181306_100000730704 [0,1,0,0,0,1|1,0,1]=4 8393 B13R1.158 C=C(C)CCOc1ccccc1C 34a_100000210338_100000730704 [0,1,0,0,0,1|1,0,1]=4 8394 B13R1.158 C=C(C)CCOc1ccccc1C 7a_100000210338_100000730704 [0,1,0,0,0,1|1,0,1]=4 8395 B13R1.158 C=C(C)CCOc1ccccc1Cl 34a_100000210172_100000730704 [0,1,0,0,0,1|1,0,1]=4 8396 B13R1.158 C=C(C)CCOc1ccccc1Cl 7a_100000210172_100000730704 [0,1,0,0,0,1|1,0,1]=4 8397 B13R1.158 C=C(C)CCOc1ccccc1F 34a_100000210171_100000730704 [0,1,0,0,0,1|1,0,1]=4 8398 B13R1.158 C=C(C)CCOc1ccccc1F 7a_100000210171_100000730704 [0,1,0,0,0,1|1,0,1]=4 8399 B13R1.158 C=C(C)CCOc1ccccc1I 34a_100000739446_100000730704 [0,1,0,0,0,1|1,0,1]=4 8400 B13R1.158 C=C(C)CCOc1ccccc1I 7a_100000739446_100000730704 [0,1,0,0,0,1|1,0,1]=4 8401 B13R1.158 C=C(C)CCOc1ccccc1N 34a_100000185747_100000730704 [0,1,0,0,0,1|1,0,1]=4 8402 B13R1.158 C=C(C)CCOc1ccccc1N 7a_100000185747_100000730704 [0,1,0,0,0,1|1,0,1]=4 8403 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000695589_100000730704 [0,1,0,0,0,1|1,0,1]=4 8404 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000730704_100000695589 [0,1,0,0,0,1|1,0,1]=4 8405 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000210755_100000730704 [0,1,0,0,0,1|1,0,1]=4 8406 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000730704_100000210755 [0,1,0,0,0,1|1,0,1]=4 8407 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000730704_100000764095 [0,1,0,0,0,1|1,0,1]=4 8408 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000764095_100000730704 [0,1,0,0,0,1|1,0,1]=4 8409 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100000730704_100011215700 [0,1,0,0,0,1|1,0,1]=4 8410 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100011215700_100000730704 [0,1,0,0,0,1|1,0,1]=4 8411 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000210017_100000730704 [0,1,0,0,0,1|1,0,1]=4 8412 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000730704_100000210017 [0,1,0,0,0,1|1,0,1]=4 8413 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000730704_100000739446 [0,1,0,0,0,1|1,0,1]=4 8414 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000739446_100000730704 [0,1,0,0,0,1|1,0,1]=4 8415 B13R1.158 C=C(C)CNCc1ccccc1Br 2230a_100000689332_100000748629 [0,1,0,0,0,1|1,0,1]=4 8416 B13R1.158 C=C(C)CNCc1ccccc1Br 34a_100000689332_100000748629 [0,1,0,0,0,1|1,0,1]=4 8417 B13R1.158 C=C(C)CNCc1ccccc1C 34a_100000174972_100000748629 [0,1,0,0,0,1|1,0,1]=4 8418 B13R1.158 C=C(C)CNCc1ccccc1Cl 2230a_100000174879_100000748629 [0,1,0,0,0,1|1,0,1]=4 8419 B13R1.158 C=C(C)CNCc1ccccc1Cl 34a_100000174879_100000748629 [0,1,0,0,0,1|1,0,1]=4 8420 B13R1.158 C=C(C)CNCc1ccccc1F 34a_100000174869_100000748629 [0,1,0,0,0,1|1,0,1]=4 8421 B13R1.158 C=C(C)CNCc1ccccc1O 34a_100000185550_100000748629 [0,1,0,0,0,1|1,0,1]=4 8422 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000210245_100000184730 [0,1,0,0,0,1|1,0,1]=4 8423 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000756307_100000748629 [0,1,0,0,0,1|1,0,1]=4 8424 B13R1.158 C=C(C)COCc1ccccc1Br 7a_100000756307_100000748629 [0,1,0,0,0,1|1,0,1]=4 8425 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000210245_100000211839 [0,1,0,0,0,1|1,0,1]=4 8426 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000698903_100000748629 [0,1,0,0,0,1|1,0,1]=4 8427 B13R1.158 C=C(C)COCc1ccccc1C 7a_100000698903_100000748629 [0,1,0,0,0,1|1,0,1]=4 8428 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210245_100000187162 [0,1,0,0,0,1|1,0,1]=4 8429 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210847_100000748629 [0,1,0,0,0,1|1,0,1]=4 8430 B13R1.158 C=C(C)COCc1ccccc1Cl 7a_100000210847_100000748629 [0,1,0,0,0,1|1,0,1]=4 8431 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000210245_100000211605 [0,1,0,0,0,1|1,0,1]=4 8432 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000211962_100000748629 [0,1,0,0,0,1|1,0,1]=4 8433 B13R1.158 C=C(C)COCc1ccccc1F 7a_100000211962_100000748629 [0,1,0,0,0,1|1,0,1]=4 8434 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000187465_100000748629 [0,1,0,0,0,1|1,0,1]=4 8435 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000210245_100011215278 [0,1,0,0,0,1|1,0,1]=4 8436 B13R1.158 C=C(C)COCc1ccccc1I 7a_100000187465_100000748629 [0,1,0,0,0,1|1,0,1]=4 8437 B13R1.158 C=C(C)COCc1ccccc1N 34a_100000212039_100000748629 [0,1,0,0,0,1|1,0,1]=4 8438 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000184730_100000211660 [0,1,0,0,0,1|1,0,1]=4 8439 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000748629_100000184730 [0,1,0,0,0,1|1,0,1]=4 8440 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000211839_100000211660 [0,1,0,0,0,1|1,0,1]=4 8441 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000748629_100000211839 [0,1,0,0,0,1|1,0,1]=4 8442 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000187162_100000211660 [0,1,0,0,0,1|1,0,1]=4 8443 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000748629_100000187162 [0,1,0,0,0,1|1,0,1]=4 8444 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000211605_100000211660 [0,1,0,0,0,1|1,0,1]=4 8445 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000748629_100000211605 [0,1,0,0,0,1|1,0,1]=4 8446 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100000748629_100011216222 [0,1,0,0,0,1|1,0,1]=4 8447 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100011216222_100000211660 [0,1,0,0,0,1|1,0,1]=4 8448 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,1,0,0,0,1|0,0,2]=4 8449 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,1,0,0,0,1|0,0,2]=4 8450 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,1,0,0,0,1|0,0,2]=4 8451 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000070787_100000695877 [0,1,0,0,0,1|0,0,2]=4 8452 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000740817_200000210301 [0,1,0,0,0,1|0,0,2]=4 8453 B13R1.158 CC(=O)CCOc1ccccc1Br 7a_100000181306_100000053229 [0,1,0,0,0,1|0,0,2]=4 8454 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [0,1,0,0,0,1|0,0,2]=4 8455 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [0,1,0,0,0,1|0,0,2]=4 8456 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [0,1,0,0,0,1|0,0,2]=4 8457 B13R1.158 CC(=O)CCOc1ccccc1Cl 1458a_100000240438_200000210301 [0,1,0,0,0,1|0,0,2]=4 8458 B13R1.158 CC(=O)CCOc1ccccc1Cl 7a_100000210172_100000053229 [0,1,0,0,0,1|0,0,2]=4 8459 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000070787_100000183290 [0,1,0,0,0,1|0,0,2]=4 8460 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000184057_200000210301 [0,1,0,0,0,1|0,0,2]=4 8461 B13R1.158 CC(=O)CCOc1ccccc1F 7a_100000210171_100000053229 [0,1,0,0,0,1|0,0,2]=4 8462 B13R1.158 CC(=O)CCOc1ccccc1I 7a_100000739446_100000053229 [0,1,0,0,0,1|0,0,2]=4 8463 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [0,1,0,0,0,1|0,0,2]=4 8464 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000053229_100000695589 [0,1,0,0,0,1|0,0,2]=4 8465 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000695589_100000053229 [0,1,0,0,0,1|0,0,2]=4 8466 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000053229_100000210755 [0,1,0,0,0,1|0,0,2]=4 8467 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000210755_100000053229 [0,1,0,0,0,1|0,0,2]=4 8468 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000053229_100000764095 [0,1,0,0,0,1|0,0,2]=4 8469 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000764095_100000053229 [0,1,0,0,0,1|0,0,2]=4 8470 B13R1.158 CC(=O)CCSc1ccccc1F 1458a_100000208832_200000210301 [0,1,0,0,0,1|0,0,2]=4 8471 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100000053229_100011215700 [0,1,0,0,0,1|0,0,2]=4 8472 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100011215700_100000053229 [0,1,0,0,0,1|0,0,2]=4 8473 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000053229_100000210017 [0,1,0,0,0,1|0,0,2]=4 8474 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000210017_100000053229 [0,1,0,0,0,1|0,0,2]=4 8475 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000053229_100000739446 [0,1,0,0,0,1|0,0,2]=4 8476 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000739446_100000053229 [0,1,0,0,0,1|0,0,2]=4 8477 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,1,0,0,0,1|0,0,2]=4 8478 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,1,0,0,0,1|0,0,2]=4 8479 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,1,0,0,0,1|0,0,2]=4 8480 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,1,0,0,0,1|0,0,2]=4 8481 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,1,0,0,0,1|0,0,2]=4 8482 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [0,1,0,0,0,1|0,0,2]=4 8483 B13R1.158 CC(=O)CSCc1ccccc1Cl 1458a_100000150270_200000210301 [0,1,0,0,0,1|0,0,2]=4 8484 B13R1.158 CC(=O)CSCc1ccccc1F 1458a_100000150260_200000210301 [0,1,0,0,0,1|0,0,2]=4 8485 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [0,1,0,0,0,1|0,0,2]=4 8486 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [0,1,0,0,0,1|0,0,2]=4 8487 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [0,1,0,0,0,1|0,0,2]=4 8488 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [0,1,0,0,0,1|0,0,2]=4 8489 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,1,0,0,0,1|0,0,2]=4 8490 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,1,0,0,0,1|0,0,2]=4 8491 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,1,0,0,0,1|0,0,2]=4 8492 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,1,0,0,0,1|0,0,2]=4 8493 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [0,1,0,0,0,1|0,0,2]=4 8494 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [0,1,0,0,0,1|0,0,2]=4 8495 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [0,1,0,0,0,1|0,0,2]=4 8496 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [0,1,0,0,0,1|0,0,2]=4 8497 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [0,1,0,0,0,1|0,0,2]=4 8498 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [0,1,0,0,0,1|0,0,2]=4 8499 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [0,1,0,0,0,1|0,0,2]=4 8500 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [0,1,0,0,0,1|0,0,2]=4 8501 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,1,0,0,0,1|0,0,2]=4 8502 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,1,0,0,0,1|0,0,2]=4 8503 B13R1.158 CC(Br)COCc1ccccc1Br 34a_100012180447_100000184730 [0,1,0,0,0,1|1,0,0]=3 8504 B13R1.158 CC(Br)COCc1ccccc1Cl 34a_100012180447_100000187162 [0,1,0,0,0,1|1,0,0]=3 8505 B13R1.158 CC(Br)COCc1ccccc1F 34a_100012180447_100000211605 [0,1,0,0,0,1|1,0,0]=3 8506 B13R1.158 CC(Br)COCc1ccccc1I 34a_100012180447_100011215278 [0,1,0,0,0,1|1,0,0]=3 8507 B13R1.158 CC(Br)COCc1cccnc1Br 34a_100012180447_100010140945 [0,1,0,0,0,1|2,0,0]=4 8508 B13R1.158 CC(Br)COCc1cccnc1Cl 34a_100012180447_100000045678 [0,1,0,0,0,1|2,0,0]=4 8509 B13R1.158 CC(Br)COCc1cccnc1F 34a_100012180447_100000099810 [0,1,0,0,0,1|2,0,0]=4 8510 B13R1.158 CC(Br)COCc1ncccc1Br 34a_100012180447_100025702911 [0,1,0,0,0,1|2,0,0]=4 8511 B13R1.158 CC(Br)COCc1ncccc1F 34a_100012180447_100000104219 [0,1,0,0,0,1|2,0,0]=4 8512 B13R1.158 CC(Br)COCc1ncccc1O 34a_100012180447_200020655725 [0,1,0,0,0,1|2,0,0]=4 8513 B13R1.158 CC(C)CC=Cc1ccccc1Br 271570a_100016259101_100000695589 [0,1,0,0,0,1|1,0,1]=4 8514 B13R1.158 CC(C)CC=Cc1ccccc1Cl 271570a_100016259101_100000764095 [0,1,0,0,0,1|1,0,1]=4 8515 B13R1.158 CC(C)CC=Cc1ccccc1F 271570a_100016259101_100011215700 [0,1,0,0,0,1|1,0,1]=4 8516 B13R1.158 CC(C)CC=Cc1ccccc1N 271570a_100016259101_100000210017 [0,1,0,0,0,1|1,0,1]=4 8517 B13R1.158 CC(C)CC=Cc1ccccc1O 271570a_100016259101_100000739446 [0,1,0,0,0,1|1,0,1]=4 8518 B13R1.158 CC(C)CCNc1ccccc1Br 34a_100000210017_100000210312 [0,1,0,0,0,1|1,0,0]=3 8519 B13R1.158 CC(C)CCNc1ccccc1Cl 34a_100000185783_100000210312 [0,1,0,0,0,1|1,0,0]=3 8520 B13R1.158 CC(C)CCNc1ccccc1F 34a_100000210422_100000210312 [0,1,0,0,0,1|1,0,0]=3 8521 B13R1.158 CC(C)CCNc1ccccc1I 34a_100000210053_100000210312 [0,1,0,0,0,1|1,0,0]=3 8522 B13R1.158 CC(C)CCNc1ccccc1O 34a_100000185747_100000210312 [0,1,0,0,0,1|1,0,0]=3 8523 B13R1.158 CC(C)CCNc1ccncc1Br 27a_100000210545_100000726257 [0,1,0,0,0,1|2,0,0]=4 8524 B13R1.158 CC(C)CCNc1ccncc1F 27a_100000210545_100000035921 [0,1,0,0,0,1|2,0,0]=4 8525 B13R1.158 CC(C)CCNc1ncccc1Br 27a_100000210545_100000696092 [0,1,0,0,0,1|2,0,0]=4 8526 B13R1.158 CC(C)CCOc1cccc[n+]1[O-] 7a_100000211761_100000210626 [0,1,0,0,0,1|2,0,0]=4 8527 B13R1.158 CC(C)CCOc1ccccc1Br 34a_100000181306_100000210312 [0,1,0,0,0,1|1,0,0]=3 8528 B13R1.158 CC(C)CCOc1ccccc1Br 7a_100000181306_100000210626 [0,1,0,0,0,1|1,0,0]=3 8529 B13R1.158 CC(C)CCOc1ccccc1Cl 34a_100000210172_100000210312 [0,1,0,0,0,1|1,0,0]=3 8530 B13R1.158 CC(C)CCOc1ccccc1Cl 7a_100000210172_100000210626 [0,1,0,0,0,1|1,0,0]=3 8531 B13R1.158 CC(C)CCOc1ccccc1F 34a_100000210171_100000210312 [0,1,0,0,0,1|1,0,0]=3 8532 B13R1.158 CC(C)CCOc1ccccc1F 7a_100000210171_100000210626 [0,1,0,0,0,1|1,0,0]=3 8533 B13R1.158 CC(C)CCOc1ccccc1I 34a_100000739446_100000210312 [0,1,0,0,0,1|1,0,0]=3 8534 B13R1.158 CC(C)CCOc1ccccc1I 7a_100000739446_100000210626 [0,1,0,0,0,1|1,0,0]=3 8535 B13R1.158 CC(C)CCOc1ccccc1N 34a_100000185747_100000210312 [0,1,0,0,0,1|1,0,0]=3 8536 B13R1.158 CC(C)CCOc1ccccc1N 7a_100000185747_100000210626 [0,1,0,0,0,1|1,0,0]=3 8537 B13R1.158 CC(C)CCOc1cccnc1Br 34a_100000744436_100000210312 [0,1,0,0,0,1|2,0,0]=4 8538 B13R1.158 CC(C)CCOc1cccnc1Br 7a_100000744436_100000210626 [0,1,0,0,0,1|2,0,0]=4 8539 B13R1.158 CC(C)CCOc1cccnc1Cl 34a_100000757616_100000210312 [0,1,0,0,0,1|2,0,0]=4 8540 B13R1.158 CC(C)CCOc1cccnc1Cl 7a_100000757616_100000210626 [0,1,0,0,0,1|2,0,0]=4 8541 B13R1.158 CC(C)CCOc1cccnc1F 34a_100000061740_100000210312 [0,1,0,0,0,1|2,0,0]=4 8542 B13R1.158 CC(C)CCOc1cccnc1F 7a_100000061740_100000210626 [0,1,0,0,0,1|2,0,0]=4 8543 B13R1.158 CC(C)CCOc1cccnc1I 34a_100000034122_100000210312 [0,1,0,0,0,1|2,0,0]=4 8544 B13R1.158 CC(C)CCOc1cccnc1I 7a_100000034122_100000210626 [0,1,0,0,0,1|2,0,0]=4 8545 B13R1.158 CC(C)CCOc1cccnc1N 34a_100000211975_100000210312 [0,1,0,0,0,1|2,0,0]=4 8546 B13R1.158 CC(C)CCOc1cccnc1N 7a_100000211975_100000210626 [0,1,0,0,0,1|2,0,0]=4 8547 B13R1.158 CC(C)CCOc1cccoc1=O 34a_100000077404_100000210312 [0,1,0,0,0,1|2,0,0]=4 8548 B13R1.158 CC(C)CCOc1cccoc1=O 7a_100000077404_100000210626 [0,1,0,0,0,1|2,0,0]=4 8549 B13R1.158 CC(C)CCOc1ccncc1Br 34a_100011996408_100000210312 [0,1,0,0,0,1|2,0,0]=4 8550 B13R1.158 CC(C)CCOc1ccncc1Cl 34a_100011997054_100000210312 [0,1,0,0,0,1|2,0,0]=4 8551 B13R1.158 CC(C)CCOc1ccncc1F 34a_200000081243_100000210312 [0,1,0,0,0,1|2,0,0]=4 8552 B13R1.158 CC(C)CCOc1cnccc1Cl 34a_100011996695_100000210312 [0,1,0,0,0,1|2,0,0]=4 8553 B13R1.158 CC(C)CCOc1cnccc1I 34a_100000050107_100000210312 [0,1,0,0,0,1|2,0,0]=4 8554 B13R1.158 CC(C)CCOc1cnccc1N 34a_100000753702_100000210312 [0,1,0,0,0,1|2,0,0]=4 8555 B13R1.158 CC(C)CCOc1coccc1=O 34a_100000060831_100000210312 [0,1,0,0,0,1|2,0,0]=4 8556 B13R1.158 CC(C)CCOc1ncccc1Cl 34a_100011290957_100000210312 [0,1,0,0,0,1|2,0,0]=4 8557 B13R1.158 CC(C)CCOc1ncccc1F 34a_100011219419_100000210312 [0,1,0,0,0,1|2,0,0]=4 8558 B13R1.158 CC(C)CCOc1ncccc1N 34a_100000746358_100000210312 [0,1,0,0,0,1|2,0,0]=4 8559 B13R1.158 CC(C)CCSc1c[nH]ccc1=O 62a_100000210312_100009998708 [0,1,0,0,0,1|2,0,0]=4 8560 B13R1.158 CC(C)CCSc1c[nH]ccc1=O 62a_100009998708_100000210312 [0,1,0,0,0,1|2,0,0]=4 8561 B13R1.158 CC(C)CCSc1c[nH]ccc1=S 62a_100000210312_200012280681 [0,1,0,0,0,1|2,0,0]=4 8562 B13R1.158 CC(C)CCSc1c[nH]ccc1=S 62a_200012280681_100000210312 [0,1,0,0,0,1|2,0,0]=4 8563 B13R1.158 CC(C)CCSc1cccc[n+]1C 62a_100000210312_100000212160 [0,1,0,0,0,1|2,0,0]=4 8564 B13R1.158 CC(C)CCSc1cccc[n+]1[O-] 62a_100000210312_200000042595 [0,1,0,0,0,1|2,0,0]=4 8565 B13R1.158 CC(C)CCSc1ccccc1Br 62a_100000210312_100000695589 [0,1,0,0,0,1|1,0,0]=3 8566 B13R1.158 CC(C)CCSc1ccccc1Br 62a_100000695589_100000210312 [0,1,0,0,0,1|1,0,0]=3 8567 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000210312_100000764095 [0,1,0,0,0,1|1,0,0]=3 8568 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000764095_100000210312 [0,1,0,0,0,1|1,0,0]=3 8569 B13R1.158 CC(C)CCSc1ccccc1F 62a_100000210312_100011215700 [0,1,0,0,0,1|1,0,0]=3 8570 B13R1.158 CC(C)CCSc1ccccc1F 62a_100011215700_100000210312 [0,1,0,0,0,1|1,0,0]=3 8571 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210017_100000210312 [0,1,0,0,0,1|1,0,0]=3 8572 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210312_100000210017 [0,1,0,0,0,1|1,0,0]=3 8573 B13R1.158 CC(C)CCSc1ccccc1O 62a_100000210312_100000739446 [0,1,0,0,0,1|1,0,0]=3 8574 B13R1.158 CC(C)CCSc1ccccc1O 62a_100000739446_100000210312 [0,1,0,0,0,1|1,0,0]=3 8575 B13R1.158 CC(C)CCSc1cccnc1Br 62a_100000210312_100010202626 [0,1,0,0,0,1|2,0,0]=4 8576 B13R1.158 CC(C)CCSc1cccnc1Br 62a_100010202626_100000210312 [0,1,0,0,0,1|2,0,0]=4 8577 B13R1.158 CC(C)CCSc1cccnc1Cl 62a_100000036424_100000210312 [0,1,0,0,0,1|2,0,0]=4 8578 B13R1.158 CC(C)CCSc1cccnc1Cl 62a_100000210312_100000036424 [0,1,0,0,0,1|2,0,0]=4 8579 B13R1.158 CC(C)CCSc1cccnc1F 62a_100000210312_100009816115 [0,1,0,0,0,1|2,0,0]=4 8580 B13R1.158 CC(C)CCSc1cccnc1F 62a_100009816115_100000210312 [0,1,0,0,0,1|2,0,0]=4 8581 B13R1.158 CC(C)CCSc1cccnc1N 62a_100000045569_100000210312 [0,1,0,0,0,1|2,0,0]=4 8582 B13R1.158 CC(C)CCSc1cccnc1N 62a_100000210312_100000045569 [0,1,0,0,0,1|2,0,0]=4 8583 B13R1.158 CC(C)CCSc1cccnc1O 62a_100000210312_100000760158 [0,1,0,0,0,1|2,0,0]=4 8584 B13R1.158 CC(C)CCSc1cccnc1O 62a_100000760158_100000210312 [0,1,0,0,0,1|2,0,0]=4 8585 B13R1.158 CC(C)CCSc1ccncc1Br 62a_100000210312_100000726257 [0,1,0,0,0,1|2,0,0]=4 8586 B13R1.158 CC(C)CCSc1ccncc1Br 62a_100000726257_100000210312 [0,1,0,0,0,1|2,0,0]=4 8587 B13R1.158 CC(C)CCSc1ccncc1Cl 62a_100000210312_100000708259 [0,1,0,0,0,1|2,0,0]=4 8588 B13R1.158 CC(C)CCSc1ccncc1Cl 62a_100000708259_100000210312 [0,1,0,0,0,1|2,0,0]=4 8589 B13R1.158 CC(C)CCSc1ccncc1F 62a_100000047030_100000210312 [0,1,0,0,0,1|2,0,0]=4 8590 B13R1.158 CC(C)CCSc1ccncc1F 62a_100000210312_100000047030 [0,1,0,0,0,1|2,0,0]=4 8591 B13R1.158 CC(C)CCSc1ccncc1N 62a_100000210312_100000756074 [0,1,0,0,0,1|2,0,0]=4 8592 B13R1.158 CC(C)CCSc1ccncc1N 62a_100000756074_100000210312 [0,1,0,0,0,1|2,0,0]=4 8593 B13R1.158 CC(C)CCSc1ccncc1O 62a_100000210312_100009817591 [0,1,0,0,0,1|2,0,0]=4 8594 B13R1.158 CC(C)CCSc1ccncc1O 62a_100009817591_100000210312 [0,1,0,0,0,1|2,0,0]=4 8595 B13R1.158 CC(C)CCSc1cnccc1Br 62a_100000210312_100010138639 [0,1,0,0,0,1|2,0,0]=4 8596 B13R1.158 CC(C)CCSc1cnccc1Br 62a_100010138639_100000210312 [0,1,0,0,0,1|2,0,0]=4 8597 B13R1.158 CC(C)CCSc1cnccc1Cl 62a_100000210312_100009995489 [0,1,0,0,0,1|2,0,0]=4 8598 B13R1.158 CC(C)CCSc1cnccc1Cl 62a_100009995489_100000210312 [0,1,0,0,0,1|2,0,0]=4 8599 B13R1.158 CC(C)CCSc1cnccc1F 62a_100000210312_100009820683 [0,1,0,0,0,1|2,0,0]=4 8600 B13R1.158 CC(C)CCSc1cnccc1F 62a_100009820683_100000210312 [0,1,0,0,0,1|2,0,0]=4 8601 B13R1.158 CC(C)CCSc1cnccc1N 62a_100000047001_100000210312 [0,1,0,0,0,1|2,0,0]=4 8602 B13R1.158 CC(C)CCSc1cnccc1N 62a_100000210312_100000047001 [0,1,0,0,0,1|2,0,0]=4 8603 B13R1.158 CC(C)CCSc1ncccc1Br 62a_100000210312_100000696092 [0,1,0,0,0,1|2,0,0]=4 8604 B13R1.158 CC(C)CCSc1ncccc1Br 62a_100000696092_100000210312 [0,1,0,0,0,1|2,0,0]=4 8605 B13R1.158 CC(C)CCSc1ncccc1Cl 62a_100000210312_100011356963 [0,1,0,0,0,1|2,0,0]=4 8606 B13R1.158 CC(C)CCSc1ncccc1Cl 62a_100011356963_100000210312 [0,1,0,0,0,1|2,0,0]=4 8607 B13R1.158 CC(C)CCSc1ncccc1F 62a_100000210312_100000685392 [0,1,0,0,0,1|2,0,0]=4 8608 B13R1.158 CC(C)CCSc1ncccc1F 62a_100000685392_100000210312 [0,1,0,0,0,1|2,0,0]=4 8609 B13R1.158 CC(C)CCSc1ncccc1N 62a_100000210312_100000688686 [0,1,0,0,0,1|2,0,0]=4 8610 B13R1.158 CC(C)CCSc1ncccc1N 62a_100000688686_100000210312 [0,1,0,0,0,1|2,0,0]=4 8611 B13R1.158 CC(C)CCSc1ncccc1O 62a_100000034122_100000210312 [0,1,0,0,0,1|2,0,0]=4 8612 B13R1.158 CC(C)CCSc1ncccc1O 62a_100000210312_100000034122 [0,1,0,0,0,1|2,0,0]=4 8613 B13R1.158 CC(C)CNCc1ccccc1Br 207a_100000210953_100000211189 [0,1,0,0,0,1|1,0,0]=3 8614 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000210953_100000184730 [0,1,0,0,0,1|1,0,0]=3 8615 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000689332_100000210760 [0,1,0,0,0,1|1,0,0]=3 8616 B13R1.158 CC(C)CNCc1ccccc1Br 26a_100000210953_100000181306 [0,1,0,0,0,1|1,0,0]=3 8617 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000210953_100000211189 [0,1,0,0,0,1|1,0,0]=3 8618 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000689332_100000210432 [0,1,0,0,0,1|1,0,0]=3 8619 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000210953_100000184730 [0,1,0,0,0,1|1,0,0]=3 8620 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000689332_100000210624 [0,1,0,0,0,1|1,0,0]=3 8621 B13R1.158 CC(C)CNCc1ccccc1Cl 207a_100000210953_100000210073 [0,1,0,0,0,1|1,0,0]=3 8622 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000174879_100000210760 [0,1,0,0,0,1|1,0,0]=3 8623 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000210953_100000187162 [0,1,0,0,0,1|1,0,0]=3 8624 B13R1.158 CC(C)CNCc1ccccc1Cl 26a_100000210953_100000210172 [0,1,0,0,0,1|1,0,0]=3 8625 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000174879_100000210432 [0,1,0,0,0,1|1,0,0]=3 8626 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000210953_100000210073 [0,1,0,0,0,1|1,0,0]=3 8627 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000174879_100000210624 [0,1,0,0,0,1|1,0,0]=3 8628 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000210953_100000187162 [0,1,0,0,0,1|1,0,0]=3 8629 B13R1.158 CC(C)CNCc1ccccc1F 207a_100000210953_100000210811 [0,1,0,0,0,1|1,0,0]=3 8630 B13R1.158 CC(C)CNCc1ccccc1F 2230a_100000210953_100000211605 [0,1,0,0,0,1|1,0,0]=3 8631 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000174869_100000210432 [0,1,0,0,0,1|1,0,0]=3 8632 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000210953_100000210811 [0,1,0,0,0,1|1,0,0]=3 8633 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000174869_100000210624 [0,1,0,0,0,1|1,0,0]=3 8634 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000210953_100000211605 [0,1,0,0,0,1|1,0,0]=3 8635 B13R1.158 CC(C)CNCc1ccccc1I 207a_100000210953_100000010305 [0,1,0,0,0,1|1,0,0]=3 8636 B13R1.158 CC(C)CNCc1ccccc1I 2230a_100000210953_100011215278 [0,1,0,0,0,1|1,0,0]=3 8637 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100000210953_100000010305 [0,1,0,0,0,1|1,0,0]=3 8638 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100015347259_100000210432 [0,1,0,0,0,1|1,0,0]=3 8639 B13R1.158 CC(C)CNCc1ccccc1I 34a_100000210953_100011215278 [0,1,0,0,0,1|1,0,0]=3 8640 B13R1.158 CC(C)CNCc1ccccc1O 270004a_100000185550_100000210432 [0,1,0,0,0,1|1,0,0]=3 8641 B13R1.158 CC(C)CNCc1ccccc1O 34a_100000185550_100000210624 [0,1,0,0,0,1|1,0,0]=3 8642 B13R1.158 CC(C)CNCc1cccnc1Br 2230a_100000210953_100010140945 [0,1,0,0,0,1|2,0,0]=4 8643 B13R1.158 CC(C)CNCc1cccnc1Br 2230a_100009818023_100000210760 [0,1,0,0,0,1|2,0,0]=4 8644 B13R1.158 CC(C)CNCc1cccnc1Br 270004a_100009818023_100000210432 [0,1,0,0,0,1|2,0,0]=4 8645 B13R1.158 CC(C)CNCc1cccnc1Br 34a_100000210953_100010140945 [0,1,0,0,0,1|2,0,0]=4 8646 B13R1.158 CC(C)CNCc1cccnc1Br 34a_100009818023_100000210624 [0,1,0,0,0,1|2,0,0]=4 8647 B13R1.158 CC(C)CNCc1cccnc1Cl 2230a_100000210953_100000045678 [0,1,0,0,0,1|2,0,0]=4 8648 B13R1.158 CC(C)CNCc1cccnc1Cl 2230a_100015189234_100000210760 [0,1,0,0,0,1|2,0,0]=4 8649 B13R1.158 CC(C)CNCc1cccnc1Cl 34a_100000210953_100000045678 [0,1,0,0,0,1|2,0,0]=4 8650 B13R1.158 CC(C)CNCc1cccnc1Cl 34a_100015189234_100000210624 [0,1,0,0,0,1|2,0,0]=4 8651 B13R1.158 CC(C)CNCc1cccnc1F 2230a_100000210953_100000099810 [0,1,0,0,0,1|2,0,0]=4 8652 B13R1.158 CC(C)CNCc1cccnc1F 270004a_100000724633_100000210432 [0,1,0,0,0,1|2,0,0]=4 8653 B13R1.158 CC(C)CNCc1cccnc1F 34a_100000210953_100000099810 [0,1,0,0,0,1|2,0,0]=4 8654 B13R1.158 CC(C)CNCc1cccnc1F 34a_100000724633_100000210624 [0,1,0,0,0,1|2,0,0]=4 8655 B13R1.158 CC(C)CNCc1cccnc1O 207a_100000210953_100011998315 [0,1,0,0,0,1|2,0,0]=4 8656 B13R1.158 CC(C)CNCc1cccnc1O 270004a_100000210953_100011998315 [0,1,0,0,0,1|2,0,0]=4 8657 B13R1.158 CC(C)CNCc1ccncc1Br 270004a_100000210953_100000755692 [0,1,0,0,0,1|2,0,0]=4 8658 B13R1.158 CC(C)CNCc1ccncc1Br 270004a_100020640021_100000210432 [0,1,0,0,0,1|2,0,0]=4 8659 B13R1.158 CC(C)CNCc1ccncc1Cl 207a_100000210953_100011934409 [0,1,0,0,0,1|2,0,0]=4 8660 B13R1.158 CC(C)CNCc1ccncc1Cl 2230a_100000210953_100000763264 [0,1,0,0,0,1|2,0,0]=4 8661 B13R1.158 CC(C)CNCc1ccncc1Cl 270004a_100000210953_100011934409 [0,1,0,0,0,1|2,0,0]=4 8662 B13R1.158 CC(C)CNCc1ccncc1F 270004a_100011935246_100000210432 [0,1,0,0,0,1|2,0,0]=4 8663 B13R1.158 CC(C)CNCc1ccncc1F 34a_100011935246_100000210624 [0,1,0,0,0,1|2,0,0]=4 8664 B13R1.158 CC(C)CNCc1cnccc1Br 270004a_100000210953_100009816821 [0,1,0,0,0,1|2,0,0]=4 8665 B13R1.158 CC(C)CNCc1cnccc1Cl 270004a_100000210953_100000050567 [0,1,0,0,0,1|2,0,0]=4 8666 B13R1.158 CC(C)CNCc1ncccc1Br 207a_100000210953_100011934733 [0,1,0,0,0,1|2,0,0]=4 8667 B13R1.158 CC(C)CNCc1ncccc1Br 2230a_100000210953_100025702911 [0,1,0,0,0,1|2,0,0]=4 8668 B13R1.158 CC(C)CNCc1ncccc1Br 270004a_100000210953_100011934733 [0,1,0,0,0,1|2,0,0]=4 8669 B13R1.158 CC(C)CNCc1ncccc1Br 270004a_100020591323_100000210432 [0,1,0,0,0,1|2,0,0]=4 8670 B13R1.158 CC(C)CNCc1ncccc1Br 34a_100000210953_100025702911 [0,1,0,0,0,1|2,0,0]=4 8671 B13R1.158 CC(C)CNCc1ncccc1Cl 207a_100000210953_100012001307 [0,1,0,0,0,1|2,0,0]=4 8672 B13R1.158 CC(C)CNCc1ncccc1Cl 2230a_100000210953_100000099807 [0,1,0,0,0,1|2,0,0]=4 8673 B13R1.158 CC(C)CNCc1ncccc1Cl 2230a_100015189233_100000210760 [0,1,0,0,0,1|2,0,0]=4 8674 B13R1.158 CC(C)CNCc1ncccc1Cl 270004a_100000210953_100012001307 [0,1,0,0,0,1|2,0,0]=4 8675 B13R1.158 CC(C)CNCc1ncccc1Cl 270004a_100015189233_100000210432 [0,1,0,0,0,1|2,0,0]=4 8676 B13R1.158 CC(C)CNCc1ncccc1F 207a_100000210953_100011934734 [0,1,0,0,0,1|2,0,0]=4 8677 B13R1.158 CC(C)CNCc1ncccc1F 2230a_100000210953_100000104219 [0,1,0,0,0,1|2,0,0]=4 8678 B13R1.158 CC(C)CNCc1ncccc1F 270004a_100000210953_100011934734 [0,1,0,0,0,1|2,0,0]=4 8679 B13R1.158 CC(C)CNCc1ncccc1F 270004a_100000690088_100000210432 [0,1,0,0,0,1|2,0,0]=4 8680 B13R1.158 CC(C)CNCc1ncccc1F 34a_100000210953_100000104219 [0,1,0,0,0,1|2,0,0]=4 8681 B13R1.158 CC(C)CNCc1ncccc1F 34a_100000690088_100000210624 [0,1,0,0,0,1|2,0,0]=4 8682 B13R1.158 CC(C)CNCc1ncccc1O 34a_100000210953_200020655725 [0,1,0,0,0,1|2,0,0]=4 8683 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000210257_100000184730 [0,1,0,0,0,1|1,0,0]=3 8684 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000756307_100000210624 [0,1,0,0,0,1|1,0,0]=3 8685 B13R1.158 CC(C)COCc1ccccc1Br 7a_100000756307_100000210760 [0,1,0,0,0,1|1,0,0]=3 8686 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210257_100000187162 [0,1,0,0,0,1|1,0,0]=3 8687 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210847_100000210624 [0,1,0,0,0,1|1,0,0]=3 8688 B13R1.158 CC(C)COCc1ccccc1Cl 7a_100000210847_100000210760 [0,1,0,0,0,1|1,0,0]=3 8689 B13R1.158 CC(C)COCc1ccccc1F 34a_100000210257_100000211605 [0,1,0,0,0,1|1,0,0]=3 8690 B13R1.158 CC(C)COCc1ccccc1F 34a_100000211962_100000210624 [0,1,0,0,0,1|1,0,0]=3 8691 B13R1.158 CC(C)COCc1ccccc1F 7a_100000211962_100000210760 [0,1,0,0,0,1|1,0,0]=3 8692 B13R1.158 CC(C)COCc1ccccc1I 34a_100000187465_100000210624 [0,1,0,0,0,1|1,0,0]=3 8693 B13R1.158 CC(C)COCc1ccccc1I 34a_100000210257_100011215278 [0,1,0,0,0,1|1,0,0]=3 8694 B13R1.158 CC(C)COCc1ccccc1I 7a_100000187465_100000210760 [0,1,0,0,0,1|1,0,0]=3 8695 B13R1.158 CC(C)COCc1ccccc1N 34a_100000212039_100000210624 [0,1,0,0,0,1|1,0,0]=3 8696 B13R1.158 CC(C)COCc1cccnc1Br 34a_100000210257_100010140945 [0,1,0,0,0,1|2,0,0]=4 8697 B13R1.158 CC(C)COCc1cccnc1Br 34a_100000719692_100000210624 [0,1,0,0,0,1|2,0,0]=4 8698 B13R1.158 CC(C)COCc1cccnc1Br 7a_100000719692_100000210760 [0,1,0,0,0,1|2,0,0]=4 8699 B13R1.158 CC(C)COCc1cccnc1Cl 34a_100000210257_100000045678 [0,1,0,0,0,1|2,0,0]=4 8700 B13R1.158 CC(C)COCc1cccnc1Cl 34a_100000748726_100000210624 [0,1,0,0,0,1|2,0,0]=4 8701 B13R1.158 CC(C)COCc1cccnc1Cl 7a_100000748726_100000210760 [0,1,0,0,0,1|2,0,0]=4 8702 B13R1.158 CC(C)COCc1cccnc1F 34a_100000079888_100000210624 [0,1,0,0,0,1|2,0,0]=4 8703 B13R1.158 CC(C)COCc1cccnc1F 34a_100000210257_100000099810 [0,1,0,0,0,1|2,0,0]=4 8704 B13R1.158 CC(C)COCc1cccnc1F 7a_100000079888_100000210760 [0,1,0,0,0,1|2,0,0]=4 8705 B13R1.158 CC(C)COCc1ccncc1F 34a_100012172863_100000210624 [0,1,0,0,0,1|2,0,0]=4 8706 B13R1.158 CC(C)COCc1cnccc1Cl 34a_100000117392_100000210624 [0,1,0,0,0,1|2,0,0]=4 8707 B13R1.158 CC(C)COCc1ncccc1Br 34a_100000210257_100025702911 [0,1,0,0,0,1|2,0,0]=4 8708 B13R1.158 CC(C)COCc1ncccc1Br 34a_100011996772_100000210624 [0,1,0,0,0,1|2,0,0]=4 8709 B13R1.158 CC(C)COCc1ncccc1Cl 34a_100012002383_100000210624 [0,1,0,0,0,1|2,0,0]=4 8710 B13R1.158 CC(C)COCc1ncccc1F 34a_100000210257_100000104219 [0,1,0,0,0,1|2,0,0]=4 8711 B13R1.158 CC(C)COCc1ncccc1F 34a_100011934865_100000210624 [0,1,0,0,0,1|2,0,0]=4 8712 B13R1.158 CC(C)COCc1ncccc1N 34a_114873767017_100000210624 [0,1,0,0,0,1|2,0,0]=4 8713 B13R1.158 CC(C)COCc1ncccc1O 34a_100000210257_200020655725 [0,1,0,0,0,1|2,0,0]=4 8714 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000184730_100000210760 [0,1,0,0,0,1|1,0,0]=3 8715 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000210624_100000184730 [0,1,0,0,0,1|1,0,0]=3 8716 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000187162_100000210760 [0,1,0,0,0,1|1,0,0]=3 8717 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000210624_100000187162 [0,1,0,0,0,1|1,0,0]=3 8718 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000210624_100000211605 [0,1,0,0,0,1|1,0,0]=3 8719 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000211605_100000210760 [0,1,0,0,0,1|1,0,0]=3 8720 B13R1.158 CC(C)CSCc1ccccc1I 62a_100000210624_100011216222 [0,1,0,0,0,1|1,0,0]=3 8721 B13R1.158 CC(C)CSCc1ccccc1I 62a_100011216222_100000210760 [0,1,0,0,0,1|1,0,0]=3 8722 B13R1.158 CC(C)CSCc1cccnc1Br 62a_100000210624_100010140945 [0,1,0,0,0,1|2,0,0]=4 8723 B13R1.158 CC(C)CSCc1cccnc1Br 62a_100010140945_100000210760 [0,1,0,0,0,1|2,0,0]=4 8724 B13R1.158 CC(C)CSCc1cccnc1Cl 62a_100000045678_100000210760 [0,1,0,0,0,1|2,0,0]=4 8725 B13R1.158 CC(C)CSCc1cccnc1Cl 62a_100000210624_100000045678 [0,1,0,0,0,1|2,0,0]=4 8726 B13R1.158 CC(C)CSCc1cccnc1F 62a_100000099810_100000210760 [0,1,0,0,0,1|2,0,0]=4 8727 B13R1.158 CC(C)CSCc1cccnc1F 62a_100000210624_100000099810 [0,1,0,0,0,1|2,0,0]=4 8728 B13R1.158 CC(C)CSCc1ccncc1Cl 62a_100000210624_100000763264 [0,1,0,0,0,1|2,0,0]=4 8729 B13R1.158 CC(C)CSCc1ccncc1Cl 62a_100000763264_100000210760 [0,1,0,0,0,1|2,0,0]=4 8730 B13R1.158 CC(C)CSCc1ncccc1Br 62a_100000210624_100025702911 [0,1,0,0,0,1|2,0,0]=4 8731 B13R1.158 CC(C)CSCc1ncccc1Br 62a_100025702911_100000210760 [0,1,0,0,0,1|2,0,0]=4 8732 B13R1.158 CC(C)CSCc1ncccc1Cl 62a_100000099807_100000210760 [0,1,0,0,0,1|2,0,0]=4 8733 B13R1.158 CC(C)CSCc1ncccc1Cl 62a_100000210624_100000099807 [0,1,0,0,0,1|2,0,0]=4 8734 B13R1.158 CC(C)CSCc1ncccc1F 62a_100000104219_100000210760 [0,1,0,0,0,1|2,0,0]=4 8735 B13R1.158 CC(C)CSCc1ncccc1F 62a_100000210624_100000104219 [0,1,0,0,0,1|2,0,0]=4 8736 B13R1.158 CC(C)CSCc1ncccc1O 62a_100000210624_200020655725 [0,1,0,0,0,1|2,0,0]=4 8737 B13R1.158 CC(C)CSCc1ncccc1O 62a_200020655725_100000210760 [0,1,0,0,0,1|2,0,0]=4 8738 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100000747383_100000210206 [0,1,0,0,0,1|1,0,0]=3 8739 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100138425928_100012161201 [0,1,0,0,0,1|1,0,0]=3 8740 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100000747383_100000210206 [0,1,0,0,0,1|1,0,0]=3 8741 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100138425928_100012161201 [0,1,0,0,0,1|1,0,0]=3 8742 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100011207228_100000210206 [0,1,0,0,0,1|1,0,0]=3 8743 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100138425928_100011713703 [0,1,0,0,0,1|1,0,0]=3 8744 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100011207228_100000210206 [0,1,0,0,0,1|1,0,0]=3 8745 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100138425928_100011713703 [0,1,0,0,0,1|1,0,0]=3 8746 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100000185272_100000210206 [0,1,0,0,0,1|1,0,0]=3 8747 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100138425928_100011713696 [0,1,0,0,0,1|1,0,0]=3 8748 B13R1.158 CC(C)NCCc1ccccc1F 34a_100000185272_100000210206 [0,1,0,0,0,1|1,0,0]=3 8749 B13R1.158 CC(C)NCCc1ccccc1F 34a_100138425928_100000720011 [0,1,0,0,0,1|1,0,0]=3 8750 B13R1.158 CC(C)NCCc1ccccc1O 34a_100011207237_100000210206 [0,1,0,0,0,1|1,0,0]=3 8751 B13R1.158 CC(C)NCCc1ccccc1O 34a_100138425928_100000722297 [0,1,0,0,0,1|1,0,0]=3 8752 B13R1.158 CC(C)NCCn1ccccc1=O 2230a_100000687133_100000210206 [0,1,0,0,0,1|2,0,0]=4 8753 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000212225_100012161201 [0,1,0,0,0,1|1,0,0]=3 8754 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000731337_100000210206 [0,1,0,0,0,1|1,0,0]=3 8755 B13R1.158 CC(C)OCCc1ccccc1Br 7a_100000731337_100000210206 [0,1,0,0,0,1|1,0,0]=3 8756 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100000212225_100011713703 [0,1,0,0,0,1|1,0,0]=3 8757 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100011215284_100000210206 [0,1,0,0,0,1|1,0,0]=3 8758 B13R1.158 CC(C)OCCc1ccccc1Cl 7a_100011215284_100000210206 [0,1,0,0,0,1|1,0,0]=3 8759 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000212225_100000720011 [0,1,0,0,0,1|1,0,0]=3 8760 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000753711_100000210206 [0,1,0,0,0,1|1,0,0]=3 8761 B13R1.158 CC(C)OCCc1ccccc1F 7a_100000753711_100000210206 [0,1,0,0,0,1|1,0,0]=3 8762 B13R1.158 CC(C)OCCc1ccccc1I 34a_100010255290_100000210206 [0,1,0,0,0,1|1,0,0]=3 8763 B13R1.158 CC(C)OCCc1ccccc1I 7a_100010255290_100000210206 [0,1,0,0,0,1|1,0,0]=3 8764 B13R1.158 CC(C)OCCc1ccccc1N 34a_100011215289_100000210206 [0,1,0,0,0,1|1,0,0]=3 8765 B13R1.158 CC(C)OCCc1ccccc1O 34a_100000212225_100000722297 [0,1,0,0,0,1|1,0,0]=3 8766 B13R1.158 CC(C)OCNc1ccccc1Br 34a_100000210017_100000709892 [0,1,0,0,0,1|2,0,0]=4 8767 B13R1.158 CC(C)OCNc1ccccc1Cl 34a_100000185783_100000709892 [0,1,0,0,0,1|2,0,0]=4 8768 B13R1.158 CC(C)OCNc1ccccc1F 34a_100000210422_100000709892 [0,1,0,0,0,1|2,0,0]=4 8769 B13R1.158 CC(C)OCNc1ccccc1I 34a_100000210053_100000709892 [0,1,0,0,0,1|2,0,0]=4 8770 B13R1.158 CC(C)OCNc1ccccc1O 34a_100000185747_100000709892 [0,1,0,0,0,1|2,0,0]=4 8771 B13R1.158 CC(C)OCOc1ccccc1Br 34a_100000181306_100000709892 [0,1,0,0,0,1|2,0,0]=4 8772 B13R1.158 CC(C)OCOc1ccccc1Cl 34a_100000210172_100000709892 [0,1,0,0,0,1|2,0,0]=4 8773 B13R1.158 CC(C)OCOc1ccccc1F 34a_100000210171_100000709892 [0,1,0,0,0,1|2,0,0]=4 8774 B13R1.158 CC(C)OCOc1ccccc1I 34a_100000739446_100000709892 [0,1,0,0,0,1|2,0,0]=4 8775 B13R1.158 CC(C)OCOc1ccccc1N 34a_100000185747_100000709892 [0,1,0,0,0,1|2,0,0]=4 8776 B13R1.158 CC(C)OCSc1ccccc1Br 62a_100000695589_100000709892 [0,1,0,0,0,1|2,0,0]=4 8777 B13R1.158 CC(C)OCSc1ccccc1Br 62a_100000709892_100000695589 [0,1,0,0,0,1|2,0,0]=4 8778 B13R1.158 CC(C)OCSc1ccccc1Cl 62a_100000709892_100000764095 [0,1,0,0,0,1|2,0,0]=4 8779 B13R1.158 CC(C)OCSc1ccccc1Cl 62a_100000764095_100000709892 [0,1,0,0,0,1|2,0,0]=4 8780 B13R1.158 CC(C)OCSc1ccccc1F 62a_100000709892_100011215700 [0,1,0,0,0,1|2,0,0]=4 8781 B13R1.158 CC(C)OCSc1ccccc1F 62a_100011215700_100000709892 [0,1,0,0,0,1|2,0,0]=4 8782 B13R1.158 CC(C)OCSc1ccccc1N 62a_100000210017_100000709892 [0,1,0,0,0,1|2,0,0]=4 8783 B13R1.158 CC(C)OCSc1ccccc1N 62a_100000709892_100000210017 [0,1,0,0,0,1|2,0,0]=4 8784 B13R1.158 CC(C)OCSc1ccccc1O 62a_100000709892_100000739446 [0,1,0,0,0,1|2,0,0]=4 8785 B13R1.158 CC(C)OCSc1ccccc1O 62a_100000739446_100000709892 [0,1,0,0,0,1|2,0,0]=4 8786 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100000210206_100012161201 [0,1,0,0,0,1|1,0,0]=3 8787 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100012161201_100000210206 [0,1,0,0,0,1|1,0,0]=3 8788 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100000210206_100011713703 [0,1,0,0,0,1|1,0,0]=3 8789 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100011713703_100000210206 [0,1,0,0,0,1|1,0,0]=3 8790 B13R1.158 CC(C)SCCc1ccccc1F 62a_100000210206_100011713696 [0,1,0,0,0,1|1,0,0]=3 8791 B13R1.158 CC(C)SCCc1ccccc1F 62a_100011713696_100000210206 [0,1,0,0,0,1|1,0,0]=3 8792 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000210206_100000722297 [0,1,0,0,0,1|1,0,0]=3 8793 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000722297_100000210206 [0,1,0,0,0,1|1,0,0]=3 8794 B13R1.158 CC(F)COCc1ccccc1Br 34a_100015925927_100000184730 [0,1,0,0,0,1|1,0,0]=3 8795 B13R1.158 CC(F)COCc1ccccc1Cl 34a_100015925927_100000187162 [0,1,0,0,0,1|1,0,0]=3 8796 B13R1.158 CC(F)COCc1ccccc1F 34a_100015925927_100000211605 [0,1,0,0,0,1|1,0,0]=3 8797 B13R1.158 CC(F)COCc1ccccc1I 34a_100015925927_100011215278 [0,1,0,0,0,1|1,0,0]=3 8798 B13R1.158 CC(F)COCc1cccnc1Br 34a_100015925927_100010140945 [0,1,0,0,0,1|2,0,0]=4 8799 B13R1.158 CC(F)COCc1cccnc1Cl 34a_100015925927_100000045678 [0,1,0,0,0,1|2,0,0]=4 8800 B13R1.158 CC(F)COCc1cccnc1F 34a_100015925927_100000099810 [0,1,0,0,0,1|2,0,0]=4 8801 B13R1.158 CC(F)COCc1ncccc1Br 34a_100015925927_100025702911 [0,1,0,0,0,1|2,0,0]=4 8802 B13R1.158 CC(F)COCc1ncccc1F 34a_100015925927_100000104219 [0,1,0,0,0,1|2,0,0]=4 8803 B13R1.158 CC(F)COCc1ncccc1O 34a_100015925927_200020655725 [0,1,0,0,0,1|2,0,0]=4 8804 B13R1.158 CC(O)CCNc1ccccc1Br 34a_100000210017_100012276601 [0,1,0,0,0,1|0,0,0]=2 8805 B13R1.158 CC(O)CCNc1ccccc1Cl 34a_100000185783_100012276601 [0,1,0,0,0,1|0,0,0]=2 8806 B13R1.158 CC(O)CCNc1ccccc1F 34a_100000210422_100012276601 [0,1,0,0,0,1|0,0,0]=2 8807 B13R1.158 CC(O)CCNc1ccccc1I 34a_100000210053_100012276601 [0,1,0,0,0,1|0,0,0]=2 8808 B13R1.158 CC(O)CCNc1ccccc1O 34a_100000185747_100012276601 [0,1,0,0,0,1|0,0,0]=2 8809 B13R1.158 CC(O)CCNc1ccn[nH]c1=O 27a_200000755665_100000087129 [0,1,0,0,0,1|2,0,0]=4 8810 B13R1.158 CC(O)CCNc1ccncc1Br 27a_200000755665_100000726257 [0,1,0,0,0,1|1,0,0]=3 8811 B13R1.158 CC(O)CCNc1ccncc1F 27a_200000755665_100000035921 [0,1,0,0,0,1|1,0,0]=3 8812 B13R1.158 CC(O)CCNc1ncccc1Br 27a_200000755665_100000696092 [0,1,0,0,0,1|1,0,0]=3 8813 B13R1.158 CC(O)CCNc1nccnc1F 27a_200000755665_200010125657 [0,1,0,0,0,1|2,0,0]=4 8814 B13R1.158 CC(O)CCNc1ncncc1F 27a_200000755665_100000069762 [0,1,0,0,0,1|2,0,0]=4 8815 B13R1.158 CC(O)CCNc1ncncc1N 27a_200000755665_100000709731 [0,1,0,0,0,1|2,0,0]=4 8816 B13R1.158 CC(O)CCOc1cccc[n+]1[O-] 7a_100000211761_100012276601 [0,1,0,0,0,1|1,0,0]=3 8817 B13R1.158 CC(O)CCOc1ccccc1Br 34a_100000181306_100012276601 [0,1,0,0,0,1|0,0,0]=2 8818 B13R1.158 CC(O)CCOc1ccccc1Br 7a_100000181306_100012276601 [0,1,0,0,0,1|0,0,0]=2 8819 B13R1.158 CC(O)CCOc1ccccc1Cl 34a_100000210172_100012276601 [0,1,0,0,0,1|0,0,0]=2 8820 B13R1.158 CC(O)CCOc1ccccc1Cl 7a_100000210172_100012276601 [0,1,0,0,0,1|0,0,0]=2 8821 B13R1.158 CC(O)CCOc1ccccc1F 34a_100000210171_100012276601 [0,1,0,0,0,1|0,0,0]=2 8822 B13R1.158 CC(O)CCOc1ccccc1F 7a_100000210171_100012276601 [0,1,0,0,0,1|0,0,0]=2 8823 B13R1.158 CC(O)CCOc1ccccc1I 34a_100000739446_100012276601 [0,1,0,0,0,1|0,0,0]=2 8824 B13R1.158 CC(O)CCOc1ccccc1I 7a_100000739446_100012276601 [0,1,0,0,0,1|0,0,0]=2 8825 B13R1.158 CC(O)CCOc1ccccc1N 34a_100000185747_100012276601 [0,1,0,0,0,1|0,0,0]=2 8826 B13R1.158 CC(O)CCOc1ccccc1N 7a_100000185747_100012276601 [0,1,0,0,0,1|0,0,0]=2 8827 B13R1.158 CC(O)CCOc1cccnc1Br 34a_100000744436_100012276601 [0,1,0,0,0,1|1,0,0]=3 8828 B13R1.158 CC(O)CCOc1cccnc1Br 7a_100000744436_100012276601 [0,1,0,0,0,1|1,0,0]=3 8829 B13R1.158 CC(O)CCOc1cccnc1Cl 34a_100000757616_100012276601 [0,1,0,0,0,1|1,0,0]=3 8830 B13R1.158 CC(O)CCOc1cccnc1Cl 7a_100000757616_100012276601 [0,1,0,0,0,1|1,0,0]=3 8831 B13R1.158 CC(O)CCOc1cccnc1F 34a_100000061740_100012276601 [0,1,0,0,0,1|1,0,0]=3 8832 B13R1.158 CC(O)CCOc1cccnc1F 7a_100000061740_100012276601 [0,1,0,0,0,1|1,0,0]=3 8833 B13R1.158 CC(O)CCOc1cccnc1I 34a_100000034122_100012276601 [0,1,0,0,0,1|1,0,0]=3 8834 B13R1.158 CC(O)CCOc1cccnc1I 7a_100000034122_100012276601 [0,1,0,0,0,1|1,0,0]=3 8835 B13R1.158 CC(O)CCOc1cccnc1N 34a_100000211975_100012276601 [0,1,0,0,0,1|1,0,0]=3 8836 B13R1.158 CC(O)CCOc1cccnc1N 7a_100000211975_100012276601 [0,1,0,0,0,1|1,0,0]=3 8837 B13R1.158 CC(O)CCOc1cccoc1=O 34a_100000077404_100012276601 [0,1,0,0,0,1|1,0,0]=3 8838 B13R1.158 CC(O)CCOc1cccoc1=O 7a_100000077404_100012276601 [0,1,0,0,0,1|1,0,0]=3 8839 B13R1.158 CC(O)CCOc1ccncc1Br 34a_100011996408_100012276601 [0,1,0,0,0,1|1,0,0]=3 8840 B13R1.158 CC(O)CCOc1ccncc1Cl 34a_100011997054_100012276601 [0,1,0,0,0,1|1,0,0]=3 8841 B13R1.158 CC(O)CCOc1ccncc1F 34a_200000081243_100012276601 [0,1,0,0,0,1|1,0,0]=3 8842 B13R1.158 CC(O)CCOc1cnccc1Cl 34a_100011996695_100012276601 [0,1,0,0,0,1|1,0,0]=3 8843 B13R1.158 CC(O)CCOc1cnccc1I 34a_100000050107_100012276601 [0,1,0,0,0,1|1,0,0]=3 8844 B13R1.158 CC(O)CCOc1cnccc1N 34a_100000753702_100012276601 [0,1,0,0,0,1|1,0,0]=3 8845 B13R1.158 CC(O)CCOc1cncnc1N 7a_100000112926_100012276601 [0,1,0,0,0,1|2,0,0]=4 8846 B13R1.158 CC(O)CCOc1coccc1=O 34a_100000060831_100012276601 [0,1,0,0,0,1|1,0,0]=3 8847 B13R1.158 CC(O)CCOc1ncccc1Cl 34a_100011290957_100012276601 [0,1,0,0,0,1|1,0,0]=3 8848 B13R1.158 CC(O)CCOc1ncccc1F 34a_100011219419_100012276601 [0,1,0,0,0,1|1,0,0]=3 8849 B13R1.158 CC(O)CCOc1ncccc1N 34a_100000746358_100012276601 [0,1,0,0,0,1|1,0,0]=3 8850 B13R1.158 CC(O)CCSc1c[nH]ccc1=O 62a_100009998708_100012276601 [0,1,0,0,0,1|1,0,0]=3 8851 B13R1.158 CC(O)CCSc1c[nH]ccc1=O 62a_100012276601_100009998708 [0,1,0,0,0,1|1,0,0]=3 8852 B13R1.158 CC(O)CCSc1c[nH]ccc1=S 62a_100012276601_200012280681 [0,1,0,0,0,1|1,0,0]=3 8853 B13R1.158 CC(O)CCSc1c[nH]ccc1=S 62a_200012280681_100012276601 [0,1,0,0,0,1|1,0,0]=3 8854 B13R1.158 CC(O)CCSc1cccc[n+]1C 62a_100012276601_100000212160 [0,1,0,0,0,1|1,0,0]=3 8855 B13R1.158 CC(O)CCSc1cccc[n+]1[O-] 62a_100012276601_200000042595 [0,1,0,0,0,1|1,0,0]=3 8856 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100000695589_100012276601 [0,1,0,0,0,1|0,0,0]=2 8857 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100012276601_100000695589 [0,1,0,0,0,1|0,0,0]=2 8858 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100000764095_100012276601 [0,1,0,0,0,1|0,0,0]=2 8859 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100012276601_100000764095 [0,1,0,0,0,1|0,0,0]=2 8860 B13R1.158 CC(O)CCSc1ccccc1F 62a_100011215700_100012276601 [0,1,0,0,0,1|0,0,0]=2 8861 B13R1.158 CC(O)CCSc1ccccc1F 62a_100012276601_100011215700 [0,1,0,0,0,1|0,0,0]=2 8862 B13R1.158 CC(O)CCSc1ccccc1N 62a_100000210017_100012276601 [0,1,0,0,0,1|0,0,0]=2 8863 B13R1.158 CC(O)CCSc1ccccc1N 62a_100012276601_100000210017 [0,1,0,0,0,1|0,0,0]=2 8864 B13R1.158 CC(O)CCSc1ccccc1O 62a_100000739446_100012276601 [0,1,0,0,0,1|0,0,0]=2 8865 B13R1.158 CC(O)CCSc1ccccc1O 62a_100012276601_100000739446 [0,1,0,0,0,1|0,0,0]=2 8866 B13R1.158 CC(O)CCSc1cccnc1Br 62a_100010202626_100012276601 [0,1,0,0,0,1|1,0,0]=3 8867 B13R1.158 CC(O)CCSc1cccnc1Br 62a_100012276601_100010202626 [0,1,0,0,0,1|1,0,0]=3 8868 B13R1.158 CC(O)CCSc1cccnc1Cl 62a_100000036424_100012276601 [0,1,0,0,0,1|1,0,0]=3 8869 B13R1.158 CC(O)CCSc1cccnc1Cl 62a_100012276601_100000036424 [0,1,0,0,0,1|1,0,0]=3 8870 B13R1.158 CC(O)CCSc1cccnc1F 62a_100009816115_100012276601 [0,1,0,0,0,1|1,0,0]=3 8871 B13R1.158 CC(O)CCSc1cccnc1F 62a_100012276601_100009816115 [0,1,0,0,0,1|1,0,0]=3 8872 B13R1.158 CC(O)CCSc1cccnc1N 62a_100000045569_100012276601 [0,1,0,0,0,1|1,0,0]=3 8873 B13R1.158 CC(O)CCSc1cccnc1N 62a_100012276601_100000045569 [0,1,0,0,0,1|1,0,0]=3 8874 B13R1.158 CC(O)CCSc1cccnc1O 62a_100000760158_100012276601 [0,1,0,0,0,1|1,0,0]=3 8875 B13R1.158 CC(O)CCSc1cccnc1O 62a_100012276601_100000760158 [0,1,0,0,0,1|1,0,0]=3 8876 B13R1.158 CC(O)CCSc1ccn[nH]c1=O 62a_100012276601_100000087129 [0,1,0,0,0,1|2,0,0]=4 8877 B13R1.158 CC(O)CCSc1ccncc1Br 62a_100000726257_100012276601 [0,1,0,0,0,1|1,0,0]=3 8878 B13R1.158 CC(O)CCSc1ccncc1Br 62a_100012276601_100000726257 [0,1,0,0,0,1|1,0,0]=3 8879 B13R1.158 CC(O)CCSc1ccncc1Cl 62a_100000708259_100012276601 [0,1,0,0,0,1|1,0,0]=3 8880 B13R1.158 CC(O)CCSc1ccncc1Cl 62a_100012276601_100000708259 [0,1,0,0,0,1|1,0,0]=3 8881 B13R1.158 CC(O)CCSc1ccncc1F 62a_100000047030_100012276601 [0,1,0,0,0,1|1,0,0]=3 8882 B13R1.158 CC(O)CCSc1ccncc1F 62a_100012276601_100000047030 [0,1,0,0,0,1|1,0,0]=3 8883 B13R1.158 CC(O)CCSc1ccncc1N 62a_100000756074_100012276601 [0,1,0,0,0,1|1,0,0]=3 8884 B13R1.158 CC(O)CCSc1ccncc1N 62a_100012276601_100000756074 [0,1,0,0,0,1|1,0,0]=3 8885 B13R1.158 CC(O)CCSc1ccncc1O 62a_100009817591_100012276601 [0,1,0,0,0,1|1,0,0]=3 8886 B13R1.158 CC(O)CCSc1ccncc1O 62a_100012276601_100009817591 [0,1,0,0,0,1|1,0,0]=3 8887 B13R1.158 CC(O)CCSc1cnccc1Br 62a_100010138639_100012276601 [0,1,0,0,0,1|1,0,0]=3 8888 B13R1.158 CC(O)CCSc1cnccc1Br 62a_100012276601_100010138639 [0,1,0,0,0,1|1,0,0]=3 8889 B13R1.158 CC(O)CCSc1cnccc1Cl 62a_100009995489_100012276601 [0,1,0,0,0,1|1,0,0]=3 8890 B13R1.158 CC(O)CCSc1cnccc1Cl 62a_100012276601_100009995489 [0,1,0,0,0,1|1,0,0]=3 8891 B13R1.158 CC(O)CCSc1cnccc1F 62a_100009820683_100012276601 [0,1,0,0,0,1|1,0,0]=3 8892 B13R1.158 CC(O)CCSc1cnccc1F 62a_100012276601_100009820683 [0,1,0,0,0,1|1,0,0]=3 8893 B13R1.158 CC(O)CCSc1cnccc1N 62a_100000047001_100012276601 [0,1,0,0,0,1|1,0,0]=3 8894 B13R1.158 CC(O)CCSc1cnccc1N 62a_100012276601_100000047001 [0,1,0,0,0,1|1,0,0]=3 8895 B13R1.158 CC(O)CCSc1cncnc1Br 62a_100012276601_200012461658 [0,1,0,0,0,1|2,0,0]=4 8896 B13R1.158 CC(O)CCSc1cncnc1Br 62a_200012461658_100012276601 [0,1,0,0,0,1|2,0,0]=4 8897 B13R1.158 CC(O)CCSc1cncnc1Cl 62a_100000758962_100012276601 [0,1,0,0,0,1|2,0,0]=4 8898 B13R1.158 CC(O)CCSc1cncnc1Cl 62a_100012276601_100000758962 [0,1,0,0,0,1|2,0,0]=4 8899 B13R1.158 CC(O)CCSc1cncnc1N 62a_100011996079_100012276601 [0,1,0,0,0,1|2,0,0]=4 8900 B13R1.158 CC(O)CCSc1cncnc1N 62a_100012276601_100011996079 [0,1,0,0,0,1|2,0,0]=4 8901 B13R1.158 CC(O)CCSc1cncnc1O 62a_100000751107_100012276601 [0,1,0,0,0,1|2,0,0]=4 8902 B13R1.158 CC(O)CCSc1cncnc1O 62a_100012276601_100000751107 [0,1,0,0,0,1|2,0,0]=4 8903 B13R1.158 CC(O)CCSc1cnncc1N 62a_100009829405_100012276601 [0,1,0,0,0,1|2,0,0]=4 8904 B13R1.158 CC(O)CCSc1cnncc1N 62a_100012276601_100009829405 [0,1,0,0,0,1|2,0,0]=4 8905 B13R1.158 CC(O)CCSc1ncc[nH]c1=O 62a_100012276601_100000763361 [0,1,0,0,0,1|2,0,0]=4 8906 B13R1.158 CC(O)CCSc1ncccc1Br 62a_100000696092_100012276601 [0,1,0,0,0,1|1,0,0]=3 8907 B13R1.158 CC(O)CCSc1ncccc1Br 62a_100012276601_100000696092 [0,1,0,0,0,1|1,0,0]=3 8908 B13R1.158 CC(O)CCSc1ncccc1Cl 62a_100011356963_100012276601 [0,1,0,0,0,1|1,0,0]=3 8909 B13R1.158 CC(O)CCSc1ncccc1Cl 62a_100012276601_100011356963 [0,1,0,0,0,1|1,0,0]=3 8910 B13R1.158 CC(O)CCSc1ncccc1F 62a_100000685392_100012276601 [0,1,0,0,0,1|1,0,0]=3 8911 B13R1.158 CC(O)CCSc1ncccc1F 62a_100012276601_100000685392 [0,1,0,0,0,1|1,0,0]=3 8912 B13R1.158 CC(O)CCSc1ncccc1N 62a_100000688686_100012276601 [0,1,0,0,0,1|1,0,0]=3 8913 B13R1.158 CC(O)CCSc1ncccc1N 62a_100012276601_100000688686 [0,1,0,0,0,1|1,0,0]=3 8914 B13R1.158 CC(O)CCSc1ncccc1O 62a_100000034122_100012276601 [0,1,0,0,0,1|1,0,0]=3 8915 B13R1.158 CC(O)CCSc1ncccc1O 62a_100012276601_100000034122 [0,1,0,0,0,1|1,0,0]=3 8916 B13R1.158 CC(O)CCSc1nccnc1Cl 62a_100010886584_100012276601 [0,1,0,0,0,1|2,0,0]=4 8917 B13R1.158 CC(O)CCSc1nccnc1Cl 62a_100012276601_100010886584 [0,1,0,0,0,1|2,0,0]=4 8918 B13R1.158 CC(O)CCSc1nccnc1F 62a_100012276601_200010125657 [0,1,0,0,0,1|2,0,0]=4 8919 B13R1.158 CC(O)CCSc1nccnc1F 62a_200010125657_100012276601 [0,1,0,0,0,1|2,0,0]=4 8920 B13R1.158 CC(O)CCSc1nccnc1N 62a_100000747729_100012276601 [0,1,0,0,0,1|2,0,0]=4 8921 B13R1.158 CC(O)CCSc1nccnc1N 62a_100012276601_100000747729 [0,1,0,0,0,1|2,0,0]=4 8922 B13R1.158 CC(O)CCSc1ncncc1F 62a_100000069762_100012276601 [0,1,0,0,0,1|2,0,0]=4 8923 B13R1.158 CC(O)CCSc1ncncc1F 62a_100012276601_100000069762 [0,1,0,0,0,1|2,0,0]=4 8924 B13R1.158 CC(O)CCSc1ncncc1N 62a_100000709731_100012276601 [0,1,0,0,0,1|2,0,0]=4 8925 B13R1.158 CC(O)CCSc1ncncc1N 62a_100012276601_100000709731 [0,1,0,0,0,1|2,0,0]=4 8926 B13R1.158 CC(O)CNCc1ccccc1Br 207a_100000210904_100000211189 [0,1,0,0,0,1|0,0,0]=2 8927 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000210904_100000184730 [0,1,0,0,0,1|0,0,0]=2 8928 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000689332_100011218427 [0,1,0,0,0,1|0,0,0]=2 8929 B13R1.158 CC(O)CNCc1ccccc1Br 270004a_100000210904_100000211189 [0,1,0,0,0,1|0,0,0]=2 8930 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000210904_100000184730 [0,1,0,0,0,1|0,0,0]=2 8931 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000689332_100011218427 [0,1,0,0,0,1|0,0,0]=2 8932 B13R1.158 CC(O)CNCc1ccccc1Cl 207a_100000210904_100000210073 [0,1,0,0,0,1|0,0,0]=2 8933 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000174879_100011218427 [0,1,0,0,0,1|0,0,0]=2 8934 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000210904_100000187162 [0,1,0,0,0,1|0,0,0]=2 8935 B13R1.158 CC(O)CNCc1ccccc1Cl 270004a_100000210904_100000210073 [0,1,0,0,0,1|0,0,0]=2 8936 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000174879_100011218427 [0,1,0,0,0,1|0,0,0]=2 8937 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000210904_100000187162 [0,1,0,0,0,1|0,0,0]=2 8938 B13R1.158 CC(O)CNCc1ccccc1F 207a_100000210904_100000210811 [0,1,0,0,0,1|0,0,0]=2 8939 B13R1.158 CC(O)CNCc1ccccc1F 2230a_100000210904_100000211605 [0,1,0,0,0,1|0,0,0]=2 8940 B13R1.158 CC(O)CNCc1ccccc1F 270004a_100000210904_100000210811 [0,1,0,0,0,1|0,0,0]=2 8941 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000174869_100011218427 [0,1,0,0,0,1|0,0,0]=2 8942 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000210904_100000211605 [0,1,0,0,0,1|0,0,0]=2 8943 B13R1.158 CC(O)CNCc1ccccc1I 207a_100000210904_100000010305 [0,1,0,0,0,1|0,0,0]=2 8944 B13R1.158 CC(O)CNCc1ccccc1I 2230a_100000210904_100011215278 [0,1,0,0,0,1|0,0,0]=2 8945 B13R1.158 CC(O)CNCc1ccccc1I 270004a_100000210904_100000010305 [0,1,0,0,0,1|0,0,0]=2 8946 B13R1.158 CC(O)CNCc1ccccc1I 34a_100000210904_100011215278 [0,1,0,0,0,1|0,0,0]=2 8947 B13R1.158 CC(O)CNCc1ccccc1O 34a_100000185550_100011218427 [0,1,0,0,0,1|0,0,0]=2 8948 B13R1.158 CC(O)CNCc1cccnc1Br 2230a_100000210904_100010140945 [0,1,0,0,0,1|1,0,0]=3 8949 B13R1.158 CC(O)CNCc1cccnc1Br 2230a_100009818023_100011218427 [0,1,0,0,0,1|1,0,0]=3 8950 B13R1.158 CC(O)CNCc1cccnc1Br 34a_100000210904_100010140945 [0,1,0,0,0,1|1,0,0]=3 8951 B13R1.158 CC(O)CNCc1cccnc1Br 34a_100009818023_100011218427 [0,1,0,0,0,1|1,0,0]=3 8952 B13R1.158 CC(O)CNCc1cccnc1Cl 2230a_100000210904_100000045678 [0,1,0,0,0,1|1,0,0]=3 8953 B13R1.158 CC(O)CNCc1cccnc1Cl 2230a_100015189234_100011218427 [0,1,0,0,0,1|1,0,0]=3 8954 B13R1.158 CC(O)CNCc1cccnc1Cl 34a_100000210904_100000045678 [0,1,0,0,0,1|1,0,0]=3 8955 B13R1.158 CC(O)CNCc1cccnc1Cl 34a_100015189234_100011218427 [0,1,0,0,0,1|1,0,0]=3 8956 B13R1.158 CC(O)CNCc1cccnc1F 2230a_100000210904_100000099810 [0,1,0,0,0,1|1,0,0]=3 8957 B13R1.158 CC(O)CNCc1cccnc1F 34a_100000210904_100000099810 [0,1,0,0,0,1|1,0,0]=3 8958 B13R1.158 CC(O)CNCc1cccnc1F 34a_100000724633_100011218427 [0,1,0,0,0,1|1,0,0]=3 8959 B13R1.158 CC(O)CNCc1cccnc1O 207a_100000210904_100011998315 [0,1,0,0,0,1|1,0,0]=3 8960 B13R1.158 CC(O)CNCc1cccnc1O 270004a_100000210904_100011998315 [0,1,0,0,0,1|1,0,0]=3 8961 B13R1.158 CC(O)CNCc1ccncc1Br 270004a_100000210904_100000755692 [0,1,0,0,0,1|1,0,0]=3 8962 B13R1.158 CC(O)CNCc1ccncc1Cl 207a_100000210904_100011934409 [0,1,0,0,0,1|1,0,0]=3 8963 B13R1.158 CC(O)CNCc1ccncc1Cl 2230a_100000210904_100000763264 [0,1,0,0,0,1|1,0,0]=3 8964 B13R1.158 CC(O)CNCc1ccncc1Cl 270004a_100000210904_100011934409 [0,1,0,0,0,1|1,0,0]=3 8965 B13R1.158 CC(O)CNCc1ccncc1F 34a_100011935246_100011218427 [0,1,0,0,0,1|1,0,0]=3 8966 B13R1.158 CC(O)CNCc1cnccc1Br 270004a_100000210904_100009816821 [0,1,0,0,0,1|1,0,0]=3 8967 B13R1.158 CC(O)CNCc1cnccc1Cl 270004a_100000210904_100000050567 [0,1,0,0,0,1|1,0,0]=3 8968 B13R1.158 CC(O)CNCc1ncccc1Br 207a_100000210904_100011934733 [0,1,0,0,0,1|1,0,0]=3 8969 B13R1.158 CC(O)CNCc1ncccc1Br 2230a_100000210904_100025702911 [0,1,0,0,0,1|1,0,0]=3 8970 B13R1.158 CC(O)CNCc1ncccc1Br 270004a_100000210904_100011934733 [0,1,0,0,0,1|1,0,0]=3 8971 B13R1.158 CC(O)CNCc1ncccc1Br 34a_100000210904_100025702911 [0,1,0,0,0,1|1,0,0]=3 8972 B13R1.158 CC(O)CNCc1ncccc1Cl 207a_100000210904_100012001307 [0,1,0,0,0,1|1,0,0]=3 8973 B13R1.158 CC(O)CNCc1ncccc1Cl 2230a_100000210904_100000099807 [0,1,0,0,0,1|1,0,0]=3 8974 B13R1.158 CC(O)CNCc1ncccc1Cl 2230a_100015189233_100011218427 [0,1,0,0,0,1|1,0,0]=3 8975 B13R1.158 CC(O)CNCc1ncccc1Cl 270004a_100000210904_100012001307 [0,1,0,0,0,1|1,0,0]=3 8976 B13R1.158 CC(O)CNCc1ncccc1F 207a_100000210904_100011934734 [0,1,0,0,0,1|1,0,0]=3 8977 B13R1.158 CC(O)CNCc1ncccc1F 2230a_100000210904_100000104219 [0,1,0,0,0,1|1,0,0]=3 8978 B13R1.158 CC(O)CNCc1ncccc1F 270004a_100000210904_100011934734 [0,1,0,0,0,1|1,0,0]=3 8979 B13R1.158 CC(O)CNCc1ncccc1F 34a_100000210904_100000104219 [0,1,0,0,0,1|1,0,0]=3 8980 B13R1.158 CC(O)CNCc1ncccc1F 34a_100000690088_100011218427 [0,1,0,0,0,1|1,0,0]=3 8981 B13R1.158 CC(O)CNCc1ncccc1O 34a_100000210904_200020655725 [0,1,0,0,0,1|1,0,0]=3 8982 B13R1.158 CC(O)CNCc1nccnc1Cl 2230a_100000729963_100011218427 [0,1,0,0,0,1|2,0,0]=4 8983 B13R1.158 CC(O)COCc1ccccc1Br 34a_100000756307_100011218427 [0,1,0,0,0,1|0,0,0]=2 8984 B13R1.158 CC(O)COCc1ccccc1Br 7a_100000756307_100011218427 [0,1,0,0,0,1|0,0,0]=2 8985 B13R1.158 CC(O)COCc1ccccc1Cl 34a_100000210847_100011218427 [0,1,0,0,0,1|0,0,0]=2 8986 B13R1.158 CC(O)COCc1ccccc1Cl 7a_100000210847_100011218427 [0,1,0,0,0,1|0,0,0]=2 8987 B13R1.158 CC(O)COCc1ccccc1F 34a_100000211962_100011218427 [0,1,0,0,0,1|0,0,0]=2 8988 B13R1.158 CC(O)COCc1ccccc1F 7a_100000211962_100011218427 [0,1,0,0,0,1|0,0,0]=2 8989 B13R1.158 CC(O)COCc1ccccc1I 34a_100000187465_100011218427 [0,1,0,0,0,1|0,0,0]=2 8990 B13R1.158 CC(O)COCc1ccccc1I 7a_100000187465_100011218427 [0,1,0,0,0,1|0,0,0]=2 8991 B13R1.158 CC(O)COCc1ccccc1N 34a_100000212039_100011218427 [0,1,0,0,0,1|0,0,0]=2 8992 B13R1.158 CC(O)COCc1cccnc1Br 34a_100000719692_100011218427 [0,1,0,0,0,1|1,0,0]=3 8993 B13R1.158 CC(O)COCc1cccnc1Br 7a_100000719692_100011218427 [0,1,0,0,0,1|1,0,0]=3 8994 B13R1.158 CC(O)COCc1cccnc1Cl 34a_100000748726_100011218427 [0,1,0,0,0,1|1,0,0]=3 8995 B13R1.158 CC(O)COCc1cccnc1Cl 7a_100000748726_100011218427 [0,1,0,0,0,1|1,0,0]=3 8996 B13R1.158 CC(O)COCc1cccnc1F 34a_100000079888_100011218427 [0,1,0,0,0,1|1,0,0]=3 8997 B13R1.158 CC(O)COCc1cccnc1F 7a_100000079888_100011218427 [0,1,0,0,0,1|1,0,0]=3 8998 B13R1.158 CC(O)COCc1ccncc1F 34a_100012172863_100011218427 [0,1,0,0,0,1|1,0,0]=3 8999 B13R1.158 CC(O)COCc1cnccc1Cl 34a_100000117392_100011218427 [0,1,0,0,0,1|1,0,0]=3 9000 B13R1.158 CC(O)COCc1ncccc1Br 34a_100011996772_100011218427 [0,1,0,0,0,1|1,0,0]=3 9001 B13R1.158 CC(O)COCc1ncccc1Cl 34a_100012002383_100011218427 [0,1,0,0,0,1|1,0,0]=3 9002 B13R1.158 CC(O)COCc1ncccc1F 34a_100011934865_100011218427 [0,1,0,0,0,1|1,0,0]=3 9003 B13R1.158 CC(O)COCc1ncccc1N 34a_114873767017_100011218427 [0,1,0,0,0,1|1,0,0]=3 9004 B13R1.158 CC(O)COCc1nccnc1Cl 34a_100000057004_100011218427 [0,1,0,0,0,1|2,0,0]=4 9005 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100000184730_100011218427 [0,1,0,0,0,1|0,0,0]=2 9006 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100011218427_100000184730 [0,1,0,0,0,1|0,0,0]=2 9007 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100000187162_100011218427 [0,1,0,0,0,1|0,0,0]=2 9008 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100011218427_100000187162 [0,1,0,0,0,1|0,0,0]=2 9009 B13R1.158 CC(O)CSCc1ccccc1F 62a_100000211605_100011218427 [0,1,0,0,0,1|0,0,0]=2 9010 B13R1.158 CC(O)CSCc1ccccc1F 62a_100011218427_100000211605 [0,1,0,0,0,1|0,0,0]=2 9011 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011216222_100011218427 [0,1,0,0,0,1|0,0,0]=2 9012 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011218427_100011216222 [0,1,0,0,0,1|0,0,0]=2 9013 B13R1.158 CC(O)CSCc1cccnc1Br 62a_100010140945_100011218427 [0,1,0,0,0,1|1,0,0]=3 9014 B13R1.158 CC(O)CSCc1cccnc1Br 62a_100011218427_100010140945 [0,1,0,0,0,1|1,0,0]=3 9015 B13R1.158 CC(O)CSCc1cccnc1Cl 62a_100000045678_100011218427 [0,1,0,0,0,1|1,0,0]=3 9016 B13R1.158 CC(O)CSCc1cccnc1Cl 62a_100011218427_100000045678 [0,1,0,0,0,1|1,0,0]=3 9017 B13R1.158 CC(O)CSCc1cccnc1F 62a_100000099810_100011218427 [0,1,0,0,0,1|1,0,0]=3 9018 B13R1.158 CC(O)CSCc1cccnc1F 62a_100011218427_100000099810 [0,1,0,0,0,1|1,0,0]=3 9019 B13R1.158 CC(O)CSCc1ccncc1Cl 62a_100000763264_100011218427 [0,1,0,0,0,1|1,0,0]=3 9020 B13R1.158 CC(O)CSCc1ccncc1Cl 62a_100011218427_100000763264 [0,1,0,0,0,1|1,0,0]=3 9021 B13R1.158 CC(O)CSCc1ncccc1Br 62a_100011218427_100025702911 [0,1,0,0,0,1|1,0,0]=3 9022 B13R1.158 CC(O)CSCc1ncccc1Br 62a_100025702911_100011218427 [0,1,0,0,0,1|1,0,0]=3 9023 B13R1.158 CC(O)CSCc1ncccc1Cl 62a_100000099807_100011218427 [0,1,0,0,0,1|1,0,0]=3 9024 B13R1.158 CC(O)CSCc1ncccc1Cl 62a_100011218427_100000099807 [0,1,0,0,0,1|1,0,0]=3 9025 B13R1.158 CC(O)CSCc1ncccc1F 62a_100000104219_100011218427 [0,1,0,0,0,1|1,0,0]=3 9026 B13R1.158 CC(O)CSCc1ncccc1F 62a_100011218427_100000104219 [0,1,0,0,0,1|1,0,0]=3 9027 B13R1.158 CC(O)CSCc1ncccc1O 62a_100011218427_200020655725 [0,1,0,0,0,1|1,0,0]=3 9028 B13R1.158 CC(O)CSCc1ncccc1O 62a_200020655725_100011218427 [0,1,0,0,0,1|1,0,0]=3 9029 B13R1.158 CN(C)CCCc1ccccc1Br 2230a_100102631434_200011713681 [0,1,0,0,0,1|2,0,0]=4 9030 B13R1.158 CN(C)CCCc1ccccc1Br 269982a_100102631434_200011713681 [0,1,0,0,0,1|2,0,0]=4 9031 B13R1.158 CN(C)CCOc1ccccc1Br 2230a_100102631434_100000695877 [0,1,0,0,0,1|2,0,0]=4 9032 B13R1.158 CN(C)CCOc1ccccc1Br 269982a_100102631434_100000695877 [0,1,0,0,0,1|2,0,0]=4 9033 B13R1.158 CN(C)CCOc1ccccc1Br 7a_100000181306_100000755713 [0,1,0,0,0,1|2,0,0]=4 9034 B13R1.158 CN(C)CCOc1ccccc1Cl 7a_100000210172_100000755713 [0,1,0,0,0,1|2,0,0]=4 9035 B13R1.158 CN(C)CCOc1ccccc1F 2230a_100102631434_100000183290 [0,1,0,0,0,1|2,0,0]=4 9036 B13R1.158 CN(C)CCOc1ccccc1F 269982a_100102631434_100000183290 [0,1,0,0,0,1|2,0,0]=4 9037 B13R1.158 CN(C)CCOc1ccccc1F 7a_100000210171_100000755713 [0,1,0,0,0,1|2,0,0]=4 9038 B13R1.158 CN(C)CCOc1ccccc1I 7a_100000739446_100000755713 [0,1,0,0,0,1|2,0,0]=4 9039 B13R1.158 CN(C)CCOc1ccccc1N 7a_100000185747_100000755713 [0,1,0,0,0,1|2,0,0]=4 9040 B13R1.158 CN(C)CCOc1ccccc1O 271570a_203496583355_100102946404 [0,1,0,0,0,1|2,0,0]=4 9041 B13R1.158 CN(C)CCSc1ccccc1Br 62a_100000695589_100000755713 [0,1,0,0,0,1|2,0,0]=4 9042 B13R1.158 CN(C)CCSc1ccccc1Cl 62a_100000764095_100000755713 [0,1,0,0,0,1|2,0,0]=4 9043 B13R1.158 CN(C)CCSc1ccccc1F 62a_100011215700_100000755713 [0,1,0,0,0,1|2,0,0]=4 9044 B13R1.158 CN(C)CCSc1ccccc1N 62a_100000210017_100000755713 [0,1,0,0,0,1|2,0,0]=4 9045 B13R1.158 CN(C)CCSc1ccccc1O 62a_100000739446_100000755713 [0,1,0,0,0,1|2,0,0]=4 9046 B13R1.158 C[C@@H](Cl)COCc1ccccc1Br 34a_100016084084_100000184730 [0,1,0,0,0,1|1,0,0]=3 9047 B13R1.158 C[C@@H](Cl)COCc1ccccc1Cl 34a_100016084084_100000187162 [0,1,0,0,0,1|1,0,0]=3 9048 B13R1.158 C[C@@H](Cl)COCc1ccccc1F 34a_100016084084_100000211605 [0,1,0,0,0,1|1,0,0]=3 9049 B13R1.158 C[C@@H](Cl)COCc1ccccc1I 34a_100016084084_100011215278 [0,1,0,0,0,1|1,0,0]=3 9050 B13R1.158 C[C@@H](Cl)COCc1cccnc1Br 34a_100016084084_100010140945 [0,1,0,0,0,1|2,0,0]=4 9051 B13R1.158 C[C@@H](Cl)COCc1cccnc1Cl 34a_100016084084_100000045678 [0,1,0,0,0,1|2,0,0]=4 9052 B13R1.158 C[C@@H](Cl)COCc1cccnc1F 34a_100016084084_100000099810 [0,1,0,0,0,1|2,0,0]=4 9053 B13R1.158 C[C@@H](Cl)COCc1ncccc1Br 34a_100016084084_100025702911 [0,1,0,0,0,1|2,0,0]=4 9054 B13R1.158 C[C@@H](Cl)COCc1ncccc1F 34a_100016084084_100000104219 [0,1,0,0,0,1|2,0,0]=4 9055 B13R1.158 C[C@@H](Cl)COCc1ncccc1O 34a_100016084084_200020655725 [0,1,0,0,0,1|2,0,0]=4 9056 B13R1.158 C[C@@H](N)COCc1ccccc1Br 34a_100000737577_100000184730 [0,1,0,0,0,1|1,0,0]=3 9057 B13R1.158 C[C@@H](N)COCc1ccccc1Cl 34a_100000737577_100000187162 [0,1,0,0,0,1|1,0,0]=3 9058 B13R1.158 C[C@@H](N)COCc1ccccc1F 34a_100000737577_100000211605 [0,1,0,0,0,1|1,0,0]=3 9059 B13R1.158 C[C@@H](N)COCc1ccccc1I 34a_100000737577_100011215278 [0,1,0,0,0,1|1,0,0]=3 9060 B13R1.158 C[C@@H](N)COCc1cccnc1Br 34a_100000737577_100010140945 [0,1,0,0,0,1|2,0,0]=4 9061 B13R1.158 C[C@@H](N)COCc1cccnc1Cl 34a_100000737577_100000045678 [0,1,0,0,0,1|2,0,0]=4 9062 B13R1.158 C[C@@H](N)COCc1cccnc1F 34a_100000737577_100000099810 [0,1,0,0,0,1|2,0,0]=4 9063 B13R1.158 C[C@@H](N)COCc1ncccc1Br 34a_100000737577_100025702911 [0,1,0,0,0,1|2,0,0]=4 9064 B13R1.158 C[C@@H](N)COCc1ncccc1F 34a_100000737577_100000104219 [0,1,0,0,0,1|2,0,0]=4 9065 B13R1.158 C[C@@H](N)COCc1ncccc1O 34a_100000737577_200020655725 [0,1,0,0,0,1|2,0,0]=4 9066 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 2230a_100000689332_100009817552 [0,1,0,0,0,1|0,0,0]=2 9067 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 34a_100000689332_100009817552 [0,1,0,0,0,1|0,0,0]=2 9068 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 2230a_100000174879_100009817552 [0,1,0,0,0,1|0,0,0]=2 9069 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 34a_100000174879_100009817552 [0,1,0,0,0,1|0,0,0]=2 9070 B13R1.158 C[C@@H](O)CNCc1ccccc1F 34a_100000174869_100009817552 [0,1,0,0,0,1|0,0,0]=2 9071 B13R1.158 C[C@@H](O)CNCc1ccccc1O 34a_100000185550_100009817552 [0,1,0,0,0,1|0,0,0]=2 9072 B13R1.158 C[C@@H](O)CNCc1cccnc1Br 2230a_100009818023_100009817552 [0,1,0,0,0,1|1,0,0]=3 9073 B13R1.158 C[C@@H](O)CNCc1cccnc1Br 34a_100009818023_100009817552 [0,1,0,0,0,1|1,0,0]=3 9074 B13R1.158 C[C@@H](O)CNCc1cccnc1Cl 2230a_100015189234_100009817552 [0,1,0,0,0,1|1,0,0]=3 9075 B13R1.158 C[C@@H](O)CNCc1cccnc1Cl 34a_100015189234_100009817552 [0,1,0,0,0,1|1,0,0]=3 9076 B13R1.158 C[C@@H](O)CNCc1cccnc1F 34a_100000724633_100009817552 [0,1,0,0,0,1|1,0,0]=3 9077 B13R1.158 C[C@@H](O)CNCc1ccncc1F 34a_100011935246_100009817552 [0,1,0,0,0,1|1,0,0]=3 9078 B13R1.158 C[C@@H](O)CNCc1ncccc1Cl 2230a_100015189233_100009817552 [0,1,0,0,0,1|1,0,0]=3 9079 B13R1.158 C[C@@H](O)CNCc1ncccc1F 34a_100000690088_100009817552 [0,1,0,0,0,1|1,0,0]=3 9080 B13R1.158 C[C@@H](O)CNCc1nccnc1Cl 2230a_100000729963_100009817552 [0,1,0,0,0,1|2,0,0]=4 9081 B13R1.158 C[C@@H](O)COCc1ccccc1Br 34a_100000756307_100009817552 [0,1,0,0,0,1|0,0,0]=2 9082 B13R1.158 C[C@@H](O)COCc1ccccc1Br 7a_100000756307_100009817552 [0,1,0,0,0,1|0,0,0]=2 9083 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 34a_100000210847_100009817552 [0,1,0,0,0,1|0,0,0]=2 9084 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 7a_100000210847_100009817552 [0,1,0,0,0,1|0,0,0]=2 9085 B13R1.158 C[C@@H](O)COCc1ccccc1F 34a_100000211962_100009817552 [0,1,0,0,0,1|0,0,0]=2 9086 B13R1.158 C[C@@H](O)COCc1ccccc1F 7a_100000211962_100009817552 [0,1,0,0,0,1|0,0,0]=2 9087 B13R1.158 C[C@@H](O)COCc1ccccc1I 34a_100000187465_100009817552 [0,1,0,0,0,1|0,0,0]=2 9088 B13R1.158 C[C@@H](O)COCc1ccccc1I 7a_100000187465_100009817552 [0,1,0,0,0,1|0,0,0]=2 9089 B13R1.158 C[C@@H](O)COCc1ccccc1N 34a_100000212039_100009817552 [0,1,0,0,0,1|0,0,0]=2 9090 B13R1.158 C[C@@H](O)COCc1cccnc1Br 34a_100000719692_100009817552 [0,1,0,0,0,1|1,0,0]=3 9091 B13R1.158 C[C@@H](O)COCc1cccnc1Br 7a_100000719692_100009817552 [0,1,0,0,0,1|1,0,0]=3 9092 B13R1.158 C[C@@H](O)COCc1cccnc1Cl 34a_100000748726_100009817552 [0,1,0,0,0,1|1,0,0]=3 9093 B13R1.158 C[C@@H](O)COCc1cccnc1Cl 7a_100000748726_100009817552 [0,1,0,0,0,1|1,0,0]=3 9094 B13R1.158 C[C@@H](O)COCc1cccnc1F 34a_100000079888_100009817552 [0,1,0,0,0,1|1,0,0]=3 9095 B13R1.158 C[C@@H](O)COCc1cccnc1F 7a_100000079888_100009817552 [0,1,0,0,0,1|1,0,0]=3 9096 B13R1.158 C[C@@H](O)COCc1ccncc1F 34a_100012172863_100009817552 [0,1,0,0,0,1|1,0,0]=3 9097 B13R1.158 C[C@@H](O)COCc1cnccc1Cl 34a_100000117392_100009817552 [0,1,0,0,0,1|1,0,0]=3 9098 B13R1.158 C[C@@H](O)COCc1ncccc1Br 34a_100011996772_100009817552 [0,1,0,0,0,1|1,0,0]=3 9099 B13R1.158 C[C@@H](O)COCc1ncccc1Cl 34a_100012002383_100009817552 [0,1,0,0,0,1|1,0,0]=3 9100 B13R1.158 C[C@@H](O)COCc1ncccc1F 34a_100011934865_100009817552 [0,1,0,0,0,1|1,0,0]=3 9101 B13R1.158 C[C@@H](O)COCc1ncccc1N 34a_114873767017_100009817552 [0,1,0,0,0,1|1,0,0]=3 9102 B13R1.158 C[C@@H](O)COCc1nccnc1Cl 34a_100000057004_100009817552 [0,1,0,0,0,1|2,0,0]=4 9103 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100000184730_100009817552 [0,1,0,0,0,1|0,0,0]=2 9104 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100009817552_100000184730 [0,1,0,0,0,1|0,0,0]=2 9105 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100000187162_100009817552 [0,1,0,0,0,1|0,0,0]=2 9106 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100009817552_100000187162 [0,1,0,0,0,1|0,0,0]=2 9107 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100000211605_100009817552 [0,1,0,0,0,1|0,0,0]=2 9108 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100009817552_100000211605 [0,1,0,0,0,1|0,0,0]=2 9109 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100009817552_100011216222 [0,1,0,0,0,1|0,0,0]=2 9110 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100011216222_100009817552 [0,1,0,0,0,1|0,0,0]=2 9111 B13R1.158 C[C@@H](O)CSCc1cccnc1Br 62a_100009817552_100010140945 [0,1,0,0,0,1|1,0,0]=3 9112 B13R1.158 C[C@@H](O)CSCc1cccnc1Br 62a_100010140945_100009817552 [0,1,0,0,0,1|1,0,0]=3 9113 B13R1.158 C[C@@H](O)CSCc1cccnc1Cl 62a_100000045678_100009817552 [0,1,0,0,0,1|1,0,0]=3 9114 B13R1.158 C[C@@H](O)CSCc1cccnc1Cl 62a_100009817552_100000045678 [0,1,0,0,0,1|1,0,0]=3 9115 B13R1.158 C[C@@H](O)CSCc1cccnc1F 62a_100000099810_100009817552 [0,1,0,0,0,1|1,0,0]=3 9116 B13R1.158 C[C@@H](O)CSCc1cccnc1F 62a_100009817552_100000099810 [0,1,0,0,0,1|1,0,0]=3 9117 B13R1.158 C[C@@H](O)CSCc1ccncc1Cl 62a_100000763264_100009817552 [0,1,0,0,0,1|1,0,0]=3 9118 B13R1.158 C[C@@H](O)CSCc1ccncc1Cl 62a_100009817552_100000763264 [0,1,0,0,0,1|1,0,0]=3 9119 B13R1.158 C[C@@H](O)CSCc1ncccc1Br 62a_100009817552_100025702911 [0,1,0,0,0,1|1,0,0]=3 9120 B13R1.158 C[C@@H](O)CSCc1ncccc1Br 62a_100025702911_100009817552 [0,1,0,0,0,1|1,0,0]=3 9121 B13R1.158 C[C@@H](O)CSCc1ncccc1Cl 62a_100000099807_100009817552 [0,1,0,0,0,1|1,0,0]=3 9122 B13R1.158 C[C@@H](O)CSCc1ncccc1Cl 62a_100009817552_100000099807 [0,1,0,0,0,1|1,0,0]=3 9123 B13R1.158 C[C@@H](O)CSCc1ncccc1F 62a_100000104219_100009817552 [0,1,0,0,0,1|1,0,0]=3 9124 B13R1.158 C[C@@H](O)CSCc1ncccc1F 62a_100009817552_100000104219 [0,1,0,0,0,1|1,0,0]=3 9125 B13R1.158 C[C@@H](O)CSCc1ncccc1O 62a_100009817552_200020655725 [0,1,0,0,0,1|1,0,0]=3 9126 B13R1.158 C[C@@H](O)CSCc1ncccc1O 62a_200020655725_100009817552 [0,1,0,0,0,1|1,0,0]=3 9127 B13R1.158 Cc1ccccc1C=CCC(C)C 271570a_100016259101_100000210755 [0,1,0,0,0,1|1,0,1]=4 9128 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100000685071_100000210206 [0,1,0,0,0,1|1,0,0]=3 9129 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100138425928_100011713688 [0,1,0,0,0,1|1,0,0]=3 9130 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100000685071_100000210206 [0,1,0,0,0,1|1,0,0]=3 9131 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100138425928_100011713688 [0,1,0,0,0,1|1,0,0]=3 9132 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100000212225_100011713688 [0,1,0,0,0,1|1,0,0]=3 9133 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100011220023_100000210206 [0,1,0,0,0,1|1,0,0]=3 9134 B13R1.158 Cc1ccccc1CCOC(C)C 7a_100011220023_100000210206 [0,1,0,0,0,1|1,0,0]=3 9135 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100000210206_100011713688 [0,1,0,0,0,1|1,0,0]=3 9136 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100011713688_100000210206 [0,1,0,0,0,1|1,0,0]=3 9137 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,1,0,0,0,1|1,0,1]=4 9138 B13R1.158 Cc1ccccc1CNCC(C)C 207a_100000210953_100000211143 [0,1,0,0,0,1|1,0,0]=3 9139 B13R1.158 Cc1ccccc1CNCC(C)C 2230a_100000210953_100000211839 [0,1,0,0,0,1|1,0,0]=3 9140 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000174972_100000210432 [0,1,0,0,0,1|1,0,0]=3 9141 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000210953_100000211143 [0,1,0,0,0,1|1,0,0]=3 9142 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000174972_100000210624 [0,1,0,0,0,1|1,0,0]=3 9143 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000210953_100000211839 [0,1,0,0,0,1|1,0,0]=3 9144 B13R1.158 Cc1ccccc1CNCC(C)O 207a_100000210904_100000211143 [0,1,0,0,0,1|0,0,0]=2 9145 B13R1.158 Cc1ccccc1CNCC(C)O 2230a_100000210904_100000211839 [0,1,0,0,0,1|0,0,0]=2 9146 B13R1.158 Cc1ccccc1CNCC(C)O 270004a_100000210904_100000211143 [0,1,0,0,0,1|0,0,0]=2 9147 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000174972_100011218427 [0,1,0,0,0,1|0,0,0]=2 9148 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000210904_100000211839 [0,1,0,0,0,1|0,0,0]=2 9149 B13R1.158 Cc1ccccc1CNCC(F)F 207a_100000765723_100000211143 [0,1,0,0,0,1|2,0,0]=4 9150 B13R1.158 Cc1ccccc1CNCC(F)F 270004a_100000765723_100000211143 [0,1,0,0,0,1|2,0,0]=4 9151 B13R1.158 Cc1ccccc1CNCC(F)F 34a_100000174972_100011934356 [0,1,0,0,0,1|2,0,0]=4 9152 B13R1.158 Cc1ccccc1CNCC(F)F 34a_100000765723_100000211839 [0,1,0,0,0,1|2,0,0]=4 9153 B13R1.158 Cc1ccccc1CNC[C@@H](C)O 34a_100000174972_100009817552 [0,1,0,0,0,1|0,0,0]=2 9154 B13R1.158 Cc1ccccc1COCC(C)Br 34a_100012180447_100000211839 [0,1,0,0,0,1|1,0,0]=3 9155 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000210257_100000211839 [0,1,0,0,0,1|1,0,0]=3 9156 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000698903_100000210624 [0,1,0,0,0,1|1,0,0]=3 9157 B13R1.158 Cc1ccccc1COCC(C)C 7a_100000698903_100000210760 [0,1,0,0,0,1|1,0,0]=3 9158 B13R1.158 Cc1ccccc1COCC(C)F 34a_100015925927_100000211839 [0,1,0,0,0,1|1,0,0]=3 9159 B13R1.158 Cc1ccccc1COCC(C)O 34a_100000698903_100011218427 [0,1,0,0,0,1|0,0,0]=2 9160 B13R1.158 Cc1ccccc1COCC(C)O 7a_100000698903_100011218427 [0,1,0,0,0,1|0,0,0]=2 9161 B13R1.158 Cc1ccccc1COCC(F)F 34a_100000698903_100011934356 [0,1,0,0,0,1|2,0,0]=4 9162 B13R1.158 Cc1ccccc1COCC(F)F 34a_100000743014_100000211839 [0,1,0,0,0,1|2,0,0]=4 9163 B13R1.158 Cc1ccccc1COCC(F)F 7a_100000698903_100011934356 [0,1,0,0,0,1|2,0,0]=4 9164 B13R1.158 Cc1ccccc1COC[C@@H](C)Cl 34a_100016084084_100000211839 [0,1,0,0,0,1|1,0,0]=3 9165 B13R1.158 Cc1ccccc1COC[C@@H](C)N 34a_100000737577_100000211839 [0,1,0,0,0,1|1,0,0]=3 9166 B13R1.158 Cc1ccccc1COC[C@@H](C)O 34a_100000698903_100009817552 [0,1,0,0,0,1|0,0,0]=2 9167 B13R1.158 Cc1ccccc1COC[C@@H](C)O 7a_100000698903_100009817552 [0,1,0,0,0,1|0,0,0]=2 9168 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [0,1,0,0,0,1|0,0,2]=4 9169 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000210624_100000211839 [0,1,0,0,0,1|1,0,0]=3 9170 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000211839_100000210760 [0,1,0,0,0,1|1,0,0]=3 9171 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100000211839_100011218427 [0,1,0,0,0,1|0,0,0]=2 9172 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100011218427_100000211839 [0,1,0,0,0,1|0,0,0]=2 9173 B13R1.158 Cc1ccccc1CSCC(F)F 62a_100000211839_100011934356 [0,1,0,0,0,1|2,0,0]=4 9174 B13R1.158 Cc1ccccc1CSCC(F)F 62a_100011934356_100000211839 [0,1,0,0,0,1|2,0,0]=4 9175 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100000211839_100009817552 [0,1,0,0,0,1|0,0,0]=2 9176 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100009817552_100000211839 [0,1,0,0,0,1|0,0,0]=2 9177 B13R1.158 Cc1ccccc1NCCC(C)C 34a_100015192222_100000210312 [0,1,0,0,0,1|1,0,0]=3 9178 B13R1.158 Cc1ccccc1NCCC(C)O 34a_100015192222_100012276601 [0,1,0,0,0,1|0,0,0]=2 9179 B13R1.158 Cc1ccccc1NCOC(C)C 34a_100015192222_100000709892 [0,1,0,0,0,1|2,0,0]=4 9180 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [0,1,0,0,0,1|0,0,2]=4 9181 B13R1.158 Cc1ccccc1OCCC(C)C 34a_100000210338_100000210312 [0,1,0,0,0,1|1,0,0]=3 9182 B13R1.158 Cc1ccccc1OCCC(C)C 7a_100000210338_100000210626 [0,1,0,0,0,1|1,0,0]=3 9183 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [0,1,0,0,0,1|0,0,0]=2 9184 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [0,1,0,0,0,1|0,0,0]=2 9185 B13R1.158 Cc1ccccc1OCCN(C)C 2230a_100102631434_100000184434 [0,1,0,0,0,1|2,0,0]=4 9186 B13R1.158 Cc1ccccc1OCCN(C)C 269982a_100102631434_100000184434 [0,1,0,0,0,1|2,0,0]=4 9187 B13R1.158 Cc1ccccc1OCCN(C)C 7a_100000210338_100000755713 [0,1,0,0,0,1|2,0,0]=4 9188 B13R1.158 Cc1ccccc1OCOC(C)C 34a_100000210338_100000709892 [0,1,0,0,0,1|2,0,0]=4 9189 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210312_100000210755 [0,1,0,0,0,1|1,0,0]=3 9190 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210755_100000210312 [0,1,0,0,0,1|1,0,0]=3 9191 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100000210755_100012276601 [0,1,0,0,0,1|0,0,0]=2 9192 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100012276601_100000210755 [0,1,0,0,0,1|0,0,0]=2 9193 B13R1.158 Cc1ccccc1SCCN(C)C 62a_100000210755_100000755713 [0,1,0,0,0,1|2,0,0]=4 9194 B13R1.158 Cc1ccccc1SCOC(C)C 62a_100000210755_100000709892 [0,1,0,0,0,1|2,0,0]=4 9195 B13R1.158 Cc1ccccc1SCOC(C)C 62a_100000709892_100000210755 [0,1,0,0,0,1|2,0,0]=4 9196 B13R1.158 Cc1cccnc1CCOC(C)C 34a_100011997706_100000210206 [0,1,0,0,0,1|2,0,0]=4 9197 B13R1.158 Cc1cccnc1CCOC(C)C 7a_100011997706_100000210206 [0,1,0,0,0,1|2,0,0]=4 9198 B13R1.158 Cc1cccnc1CNCC(C)C 207a_100000210953_100000698913 [0,1,0,0,0,1|2,0,0]=4 9199 B13R1.158 Cc1cccnc1CNCC(C)C 2230a_100000210953_100000696600 [0,1,0,0,0,1|2,0,0]=4 9200 B13R1.158 Cc1cccnc1CNCC(C)C 270004a_100000210953_100000698913 [0,1,0,0,0,1|2,0,0]=4 9201 B13R1.158 Cc1cccnc1CNCC(C)C 34a_100000210953_100000696600 [0,1,0,0,0,1|2,0,0]=4 9202 B13R1.158 Cc1cccnc1CNCC(C)C 34a_100011223789_100000210624 [0,1,0,0,0,1|2,0,0]=4 9203 B13R1.158 Cc1cccnc1CNCC(C)O 207a_100000210904_100000698913 [0,1,0,0,0,1|1,0,0]=3 9204 B13R1.158 Cc1cccnc1CNCC(C)O 2230a_100000210904_100000696600 [0,1,0,0,0,1|1,0,0]=3 9205 B13R1.158 Cc1cccnc1CNCC(C)O 270004a_100000210904_100000698913 [0,1,0,0,0,1|1,0,0]=3 9206 B13R1.158 Cc1cccnc1CNCC(C)O 34a_100000210904_100000696600 [0,1,0,0,0,1|1,0,0]=3 9207 B13R1.158 Cc1cccnc1CNCC(C)O 34a_100011223789_100011218427 [0,1,0,0,0,1|1,0,0]=3 9208 B13R1.158 Cc1cccnc1CNC[C@@H](C)O 34a_100011223789_100009817552 [0,1,0,0,0,1|1,0,0]=3 9209 B13R1.158 Cc1cccnc1COCC(C)Br 34a_100012180447_100000696600 [0,1,0,0,0,1|2,0,0]=4 9210 B13R1.158 Cc1cccnc1COCC(C)C 34a_100000210257_100000696600 [0,1,0,0,0,1|2,0,0]=4 9211 B13R1.158 Cc1cccnc1COCC(C)C 34a_100000698912_100000210624 [0,1,0,0,0,1|2,0,0]=4 9212 B13R1.158 Cc1cccnc1COCC(C)F 34a_100015925927_100000696600 [0,1,0,0,0,1|2,0,0]=4 9213 B13R1.158 Cc1cccnc1COCC(C)O 34a_100000698912_100011218427 [0,1,0,0,0,1|1,0,0]=3 9214 B13R1.158 Cc1cccnc1COC[C@@H](C)Cl 34a_100016084084_100000696600 [0,1,0,0,0,1|2,0,0]=4 9215 B13R1.158 Cc1cccnc1COC[C@@H](C)N 34a_100000737577_100000696600 [0,1,0,0,0,1|2,0,0]=4 9216 B13R1.158 Cc1cccnc1COC[C@@H](C)O 34a_100000698912_100009817552 [0,1,0,0,0,1|1,0,0]=3 9217 B13R1.158 Cc1cccnc1CSCC(C)C 62a_100000210624_100000696600 [0,1,0,0,0,1|2,0,0]=4 9218 B13R1.158 Cc1cccnc1CSCC(C)C 62a_100000696600_100000210760 [0,1,0,0,0,1|2,0,0]=4 9219 B13R1.158 Cc1cccnc1CSCC(C)O 62a_100000696600_100011218427 [0,1,0,0,0,1|1,0,0]=3 9220 B13R1.158 Cc1cccnc1CSCC(C)O 62a_100011218427_100000696600 [0,1,0,0,0,1|1,0,0]=3 9221 B13R1.158 Cc1cccnc1CSC[C@@H](C)O 62a_100000696600_100009817552 [0,1,0,0,0,1|1,0,0]=3 9222 B13R1.158 Cc1cccnc1CSC[C@@H](C)O 62a_100009817552_100000696600 [0,1,0,0,0,1|1,0,0]=3 9223 B13R1.158 Cc1cccnc1SCCC(C)C 62a_100000210312_100000751373 [0,1,0,0,0,1|2,0,0]=4 9224 B13R1.158 Cc1cccnc1SCCC(C)C 62a_100000751373_100000210312 [0,1,0,0,0,1|2,0,0]=4 9225 B13R1.158 Cc1cccnc1SCCC(C)O 62a_100000751373_100012276601 [0,1,0,0,0,1|1,0,0]=3 9226 B13R1.158 Cc1cccnc1SCCC(C)O 62a_100012276601_100000751373 [0,1,0,0,0,1|1,0,0]=3 9227 B13R1.158 Cc1ccncc1CNCC(C)C 207a_100000210953_100000685662 [0,1,0,0,0,1|2,0,0]=4 9228 B13R1.158 Cc1ccncc1CNCC(C)C 2230a_100000210953_100000690890 [0,1,0,0,0,1|2,0,0]=4 9229 B13R1.158 Cc1ccncc1CNCC(C)C 270004a_100000210953_100000685662 [0,1,0,0,0,1|2,0,0]=4 9230 B13R1.158 Cc1ccncc1CNCC(C)C 270004a_100011997553_100000210432 [0,1,0,0,0,1|2,0,0]=4 9231 B13R1.158 Cc1ccncc1CNCC(C)C 34a_100000210953_100000690890 [0,1,0,0,0,1|2,0,0]=4 9232 B13R1.158 Cc1ccncc1CNCC(C)O 207a_100000210904_100000685662 [0,1,0,0,0,1|1,0,0]=3 9233 B13R1.158 Cc1ccncc1CNCC(C)O 2230a_100000210904_100000690890 [0,1,0,0,0,1|1,0,0]=3 9234 B13R1.158 Cc1ccncc1CNCC(C)O 270004a_100000210904_100000685662 [0,1,0,0,0,1|1,0,0]=3 9235 B13R1.158 Cc1ccncc1CNCC(C)O 34a_100000210904_100000690890 [0,1,0,0,0,1|1,0,0]=3 9236 B13R1.158 Cc1ccncc1COCC(C)Br 34a_100012180447_100000690890 [0,1,0,0,0,1|2,0,0]=4 9237 B13R1.158 Cc1ccncc1COCC(C)C 34a_100000210257_100000690890 [0,1,0,0,0,1|2,0,0]=4 9238 B13R1.158 Cc1ccncc1COCC(C)C 34a_100011996381_100000210624 [0,1,0,0,0,1|2,0,0]=4 9239 B13R1.158 Cc1ccncc1COCC(C)F 34a_100015925927_100000690890 [0,1,0,0,0,1|2,0,0]=4 9240 B13R1.158 Cc1ccncc1COCC(C)O 34a_100011996381_100011218427 [0,1,0,0,0,1|1,0,0]=3 9241 B13R1.158 Cc1ccncc1COC[C@@H](C)Cl 34a_100016084084_100000690890 [0,1,0,0,0,1|2,0,0]=4 9242 B13R1.158 Cc1ccncc1COC[C@@H](C)N 34a_100000737577_100000690890 [0,1,0,0,0,1|2,0,0]=4 9243 B13R1.158 Cc1ccncc1COC[C@@H](C)O 34a_100011996381_100009817552 [0,1,0,0,0,1|1,0,0]=3 9244 B13R1.158 Cc1ccncc1CSCC(C)C 62a_100000210624_100000690890 [0,1,0,0,0,1|2,0,0]=4 9245 B13R1.158 Cc1ccncc1CSCC(C)C 62a_100000690890_100000210760 [0,1,0,0,0,1|2,0,0]=4 9246 B13R1.158 Cc1ccncc1CSCC(C)O 62a_100000690890_100011218427 [0,1,0,0,0,1|1,0,0]=3 9247 B13R1.158 Cc1ccncc1CSCC(C)O 62a_100011218427_100000690890 [0,1,0,0,0,1|1,0,0]=3 9248 B13R1.158 Cc1ccncc1CSC[C@@H](C)O 62a_100000690890_100009817552 [0,1,0,0,0,1|1,0,0]=3 9249 B13R1.158 Cc1ccncc1CSC[C@@H](C)O 62a_100009817552_100000690890 [0,1,0,0,0,1|1,0,0]=3 9250 B13R1.158 Cc1ccncc1OCCC(C)C 34a_100011997053_100000210312 [0,1,0,0,0,1|2,0,0]=4 9251 B13R1.158 Cc1ccncc1OCCC(C)C 7a_100011997053_100000210626 [0,1,0,0,0,1|2,0,0]=4 9252 B13R1.158 Cc1ccncc1OCCC(C)O 34a_100011997053_100012276601 [0,1,0,0,0,1|1,0,0]=3 9253 B13R1.158 Cc1ccncc1OCCC(C)O 7a_100011997053_100012276601 [0,1,0,0,0,1|1,0,0]=3 9254 B13R1.158 Cc1ccncc1SCCC(C)C 62a_100000210312_100000761580 [0,1,0,0,0,1|2,0,0]=4 9255 B13R1.158 Cc1ccncc1SCCC(C)C 62a_100000761580_100000210312 [0,1,0,0,0,1|2,0,0]=4 9256 B13R1.158 Cc1ccncc1SCCC(C)O 62a_100000761580_100012276601 [0,1,0,0,0,1|1,0,0]=3 9257 B13R1.158 Cc1ccncc1SCCC(C)O 62a_100012276601_100000761580 [0,1,0,0,0,1|1,0,0]=3 9258 B13R1.158 Cc1ccnnc1NCCC(C)O 27a_200000755665_100000089043 [0,1,0,0,0,1|2,0,0]=4 9259 B13R1.158 Cc1ccnnc1SCCC(C)O 62a_100012276601_100000089043 [0,1,0,0,0,1|2,0,0]=4 9260 B13R1.158 Cc1cnccc1CNCC(C)C 2230a_100000210953_100020672808 [0,1,0,0,0,1|2,0,0]=4 9261 B13R1.158 Cc1cnccc1CNCC(C)C 270004a_100000708811_100000210432 [0,1,0,0,0,1|2,0,0]=4 9262 B13R1.158 Cc1cnccc1CNCC(C)C 34a_100000210953_100020672809 [0,1,0,0,0,1|2,0,0]=4 9263 B13R1.158 Cc1cnccc1CNCC(C)O 2230a_100000210904_100020672808 [0,1,0,0,0,1|1,0,0]=3 9264 B13R1.158 Cc1cnccc1CNCC(C)O 34a_100000210904_100020672809 [0,1,0,0,0,1|1,0,0]=3 9265 B13R1.158 Cc1cnccc1COCC(C)Br 34a_100012180447_100020672809 [0,1,0,0,0,1|2,0,0]=4 9266 B13R1.158 Cc1cnccc1COCC(C)C 34a_100000210257_100020672809 [0,1,0,0,0,1|2,0,0]=4 9267 B13R1.158 Cc1cnccc1COCC(C)C 34a_100011997032_100000210624 [0,1,0,0,0,1|2,0,0]=4 9268 B13R1.158 Cc1cnccc1COCC(C)F 34a_100015925927_100020672809 [0,1,0,0,0,1|2,0,0]=4 9269 B13R1.158 Cc1cnccc1COCC(C)O 34a_100011997032_100011218427 [0,1,0,0,0,1|1,0,0]=3 9270 B13R1.158 Cc1cnccc1COC[C@@H](C)Cl 34a_100016084084_100020672809 [0,1,0,0,0,1|2,0,0]=4 9271 B13R1.158 Cc1cnccc1COC[C@@H](C)N 34a_100000737577_100020672809 [0,1,0,0,0,1|2,0,0]=4 9272 B13R1.158 Cc1cnccc1COC[C@@H](C)O 34a_100011997032_100009817552 [0,1,0,0,0,1|1,0,0]=3 9273 B13R1.158 Cc1cnccc1CSCC(C)C 62a_100000210624_100020672808 [0,1,0,0,0,1|2,0,0]=4 9274 B13R1.158 Cc1cnccc1CSCC(C)C 62a_100020672808_100000210760 [0,1,0,0,0,1|2,0,0]=4 9275 B13R1.158 Cc1cnccc1CSCC(C)O 62a_100011218427_100020672808 [0,1,0,0,0,1|1,0,0]=3 9276 B13R1.158 Cc1cnccc1CSCC(C)O 62a_100020672808_100011218427 [0,1,0,0,0,1|1,0,0]=3 9277 B13R1.158 Cc1cnccc1CSC[C@@H](C)O 62a_100009817552_100020672808 [0,1,0,0,0,1|1,0,0]=3 9278 B13R1.158 Cc1cnccc1CSC[C@@H](C)O 62a_100020672808_100009817552 [0,1,0,0,0,1|1,0,0]=3 9279 B13R1.158 Cc1cnccc1NCCC(C)C 27a_100000210545_100000765111 [0,1,0,0,0,1|2,0,0]=4 9280 B13R1.158 Cc1cnccc1NCCC(C)O 27a_200000755665_100000765111 [0,1,0,0,0,1|1,0,0]=3 9281 B13R1.158 Cc1cnccc1OCCC(C)C 34a_100000694293_100000210312 [0,1,0,0,0,1|2,0,0]=4 9282 B13R1.158 Cc1cnccc1OCCC(C)O 34a_100000694293_100012276601 [0,1,0,0,0,1|1,0,0]=3 9283 B13R1.158 Cc1cnccc1SCCC(C)C 62a_100000210312_100000765111 [0,1,0,0,0,1|2,0,0]=4 9284 B13R1.158 Cc1cnccc1SCCC(C)C 62a_100000765111_100000210312 [0,1,0,0,0,1|2,0,0]=4 9285 B13R1.158 Cc1cnccc1SCCC(C)O 62a_100000765111_100012276601 [0,1,0,0,0,1|1,0,0]=3 9286 B13R1.158 Cc1cnccc1SCCC(C)O 62a_100012276601_100000765111 [0,1,0,0,0,1|1,0,0]=3 9287 B13R1.158 Cc1cncnc1NCCC(C)O 27a_200000755665_100011998708 [0,1,0,0,0,1|2,0,0]=4 9288 B13R1.158 Cc1cncnc1SCCC(C)O 62a_100011998708_100012276601 [0,1,0,0,0,1|2,0,0]=4 9289 B13R1.158 Cc1cncnc1SCCC(C)O 62a_100012276601_100011998708 [0,1,0,0,0,1|2,0,0]=4 9290 B13R1.158 Cc1ncccc1CNCC(C)C 207a_100000210953_100000751968 [0,1,0,0,0,1|2,0,0]=4 9291 B13R1.158 Cc1ncccc1CNCC(C)C 2230a_100000210953_100000732876 [0,1,0,0,0,1|2,0,0]=4 9292 B13R1.158 Cc1ncccc1CNCC(C)C 270004a_100000210953_100000751968 [0,1,0,0,0,1|2,0,0]=4 9293 B13R1.158 Cc1ncccc1CNCC(C)C 34a_100000210953_100000732876 [0,1,0,0,0,1|2,0,0]=4 9294 B13R1.158 Cc1ncccc1CNCC(C)O 207a_100000210904_100000751968 [0,1,0,0,0,1|1,0,0]=3 9295 B13R1.158 Cc1ncccc1CNCC(C)O 2230a_100000210904_100000732876 [0,1,0,0,0,1|1,0,0]=3 9296 B13R1.158 Cc1ncccc1CNCC(C)O 270004a_100000210904_100000751968 [0,1,0,0,0,1|1,0,0]=3 9297 B13R1.158 Cc1ncccc1CNCC(C)O 34a_100000210904_100000732876 [0,1,0,0,0,1|1,0,0]=3 9298 B13R1.158 Cc1ncccc1COCC(C)Br 34a_100012180447_100000732876 [0,1,0,0,0,1|2,0,0]=4 9299 B13R1.158 Cc1ncccc1COCC(C)C 34a_100000210257_100000732876 [0,1,0,0,0,1|2,0,0]=4 9300 B13R1.158 Cc1ncccc1COCC(C)C 34a_100000729262_100000210624 [0,1,0,0,0,1|2,0,0]=4 9301 B13R1.158 Cc1ncccc1COCC(C)C 7a_100000729262_100000210760 [0,1,0,0,0,1|2,0,0]=4 9302 B13R1.158 Cc1ncccc1COCC(C)F 34a_100015925927_100000732876 [0,1,0,0,0,1|2,0,0]=4 9303 B13R1.158 Cc1ncccc1COCC(C)O 34a_100000729262_100011218427 [0,1,0,0,0,1|1,0,0]=3 9304 B13R1.158 Cc1ncccc1COCC(C)O 7a_100000729262_100011218427 [0,1,0,0,0,1|1,0,0]=3 9305 B13R1.158 Cc1ncccc1COC[C@@H](C)Cl 34a_100016084084_100000732876 [0,1,0,0,0,1|2,0,0]=4 9306 B13R1.158 Cc1ncccc1COC[C@@H](C)N 34a_100000737577_100000732876 [0,1,0,0,0,1|2,0,0]=4 9307 B13R1.158 Cc1ncccc1COC[C@@H](C)O 34a_100000729262_100009817552 [0,1,0,0,0,1|1,0,0]=3 9308 B13R1.158 Cc1ncccc1COC[C@@H](C)O 7a_100000729262_100009817552 [0,1,0,0,0,1|1,0,0]=3 9309 B13R1.158 Cc1ncccc1CSCC(C)C 62a_100000210624_100000732876 [0,1,0,0,0,1|2,0,0]=4 9310 B13R1.158 Cc1ncccc1CSCC(C)C 62a_100000732876_100000210760 [0,1,0,0,0,1|2,0,0]=4 9311 B13R1.158 Cc1ncccc1CSCC(C)O 62a_100000732876_100011218427 [0,1,0,0,0,1|1,0,0]=3 9312 B13R1.158 Cc1ncccc1CSCC(C)O 62a_100011218427_100000732876 [0,1,0,0,0,1|1,0,0]=3 9313 B13R1.158 Cc1ncccc1CSC[C@@H](C)O 62a_100000732876_100009817552 [0,1,0,0,0,1|1,0,0]=3 9314 B13R1.158 Cc1ncccc1CSC[C@@H](C)O 62a_100009817552_100000732876 [0,1,0,0,0,1|1,0,0]=3 9315 B13R1.158 Cc1ncccc1OCCC(C)C 34a_100000745507_100000210312 [0,1,0,0,0,1|2,0,0]=4 9316 B13R1.158 Cc1ncccc1OCCC(C)C 7a_100000745507_100000210626 [0,1,0,0,0,1|2,0,0]=4 9317 B13R1.158 Cc1ncccc1OCCC(C)O 34a_100000745507_100012276601 [0,1,0,0,0,1|1,0,0]=3 9318 B13R1.158 Cc1ncccc1OCCC(C)O 7a_100000745507_100012276601 [0,1,0,0,0,1|1,0,0]=3 9319 B13R1.158 Cc1ncccc1SCCC(C)C 62a_100000210312_100000751574 [0,1,0,0,0,1|2,0,0]=4 9320 B13R1.158 Cc1ncccc1SCCC(C)C 62a_100000751574_100000210312 [0,1,0,0,0,1|2,0,0]=4 9321 B13R1.158 Cc1ncccc1SCCC(C)O 62a_100000751574_100012276601 [0,1,0,0,0,1|1,0,0]=3 9322 B13R1.158 Cc1ncccc1SCCC(C)O 62a_100012276601_100000751574 [0,1,0,0,0,1|1,0,0]=3 9323 B13R1.158 Cc1nccnc1CNCC(C)O 2230a_100020641712_100011218427 [0,1,0,0,0,1|2,0,0]=4 9324 B13R1.158 Cc1nccnc1CNCC(C)O 270004a_100000210904_100000050726 [0,1,0,0,0,1|2,0,0]=4 9325 B13R1.158 Cc1nccnc1CNCC(C)O 34a_100020641712_100011218427 [0,1,0,0,0,1|2,0,0]=4 9326 B13R1.158 Cc1nccnc1CNC[C@@H](C)O 2230a_100020641712_100009817552 [0,1,0,0,0,1|2,0,0]=4 9327 B13R1.158 Cc1nccnc1CNC[C@@H](C)O 34a_100020641712_100009817552 [0,1,0,0,0,1|2,0,0]=4 9328 B13R1.158 Cc1nccnc1NCCC(C)O 27a_200000755665_100011999405 [0,1,0,0,0,1|2,0,0]=4 9329 B13R1.158 Cc1nccnc1OCCC(C)O 34a_100000766352_100012276601 [0,1,0,0,0,1|2,0,0]=4 9330 B13R1.158 Cc1nccnc1SCCC(C)O 62a_100011999405_100012276601 [0,1,0,0,0,1|2,0,0]=4 9331 B13R1.158 Cc1nccnc1SCCC(C)O 62a_100012276601_100011999405 [0,1,0,0,0,1|2,0,0]=4 9332 B13R1.158 Cc1ncncc1SCCC(C)O 62a_100009819671_100012276601 [0,1,0,0,0,1|2,0,0]=4 9333 B13R1.158 Cc1ncncc1SCCC(C)O 62a_100012276601_100009819671 [0,1,0,0,0,1|2,0,0]=4 9334 B13R1.158 FC(F)CNCc1ccccc1Br 207a_100000765723_100000211189 [0,1,0,0,0,1|2,0,0]=4 9335 B13R1.158 FC(F)CNCc1ccccc1Br 2230a_100000689332_100011934356 [0,1,0,0,0,1|2,0,0]=4 9336 B13R1.158 FC(F)CNCc1ccccc1Br 270004a_100000765723_100000211189 [0,1,0,0,0,1|2,0,0]=4 9337 B13R1.158 FC(F)CNCc1ccccc1Br 34a_100000689332_100011934356 [0,1,0,0,0,1|2,0,0]=4 9338 B13R1.158 FC(F)CNCc1ccccc1Br 34a_100000765723_100000184730 [0,1,0,0,0,1|2,0,0]=4 9339 B13R1.158 FC(F)CNCc1ccccc1Cl 207a_100000765723_100000210073 [0,1,0,0,0,1|2,0,0]=4 9340 B13R1.158 FC(F)CNCc1ccccc1Cl 2230a_100000174879_100011934356 [0,1,0,0,0,1|2,0,0]=4 9341 B13R1.158 FC(F)CNCc1ccccc1Cl 270004a_100000765723_100000210073 [0,1,0,0,0,1|2,0,0]=4 9342 B13R1.158 FC(F)CNCc1ccccc1Cl 34a_100000174879_100011934356 [0,1,0,0,0,1|2,0,0]=4 9343 B13R1.158 FC(F)CNCc1ccccc1Cl 34a_100000765723_100000187162 [0,1,0,0,0,1|2,0,0]=4 9344 B13R1.158 FC(F)CNCc1ccccc1I 207a_100000765723_100000010305 [0,1,0,0,0,1|2,0,0]=4 9345 B13R1.158 FC(F)CNCc1ccccc1I 270004a_100000765723_100000010305 [0,1,0,0,0,1|2,0,0]=4 9346 B13R1.158 FC(F)CNCc1ccccc1I 34a_100000765723_100011215278 [0,1,0,0,0,1|2,0,0]=4 9347 B13R1.158 FC(F)COCc1ccccc1Br 34a_100000743014_100000184730 [0,1,0,0,0,1|2,0,0]=4 9348 B13R1.158 FC(F)COCc1ccccc1Br 34a_100000756307_100011934356 [0,1,0,0,0,1|2,0,0]=4 9349 B13R1.158 FC(F)COCc1ccccc1Br 7a_100000756307_100011934356 [0,1,0,0,0,1|2,0,0]=4 9350 B13R1.158 FC(F)COCc1ccccc1Cl 34a_100000210847_100011934356 [0,1,0,0,0,1|2,0,0]=4 9351 B13R1.158 FC(F)COCc1ccccc1Cl 34a_100000743014_100000187162 [0,1,0,0,0,1|2,0,0]=4 9352 B13R1.158 FC(F)COCc1ccccc1Cl 7a_100000210847_100011934356 [0,1,0,0,0,1|2,0,0]=4 9353 B13R1.158 FC(F)COCc1ccccc1I 34a_100000187465_100011934356 [0,1,0,0,0,1|2,0,0]=4 9354 B13R1.158 FC(F)COCc1ccccc1I 34a_100000743014_100011215278 [0,1,0,0,0,1|2,0,0]=4 9355 B13R1.158 FC(F)COCc1ccccc1I 7a_100000187465_100011934356 [0,1,0,0,0,1|2,0,0]=4 9356 B13R1.158 FC(F)CSCc1ccccc1Br 62a_100000184730_100011934356 [0,1,0,0,0,1|2,0,0]=4 9357 B13R1.158 FC(F)CSCc1ccccc1Br 62a_100011934356_100000184730 [0,1,0,0,0,1|2,0,0]=4 9358 B13R1.158 FC(F)CSCc1ccccc1Cl 62a_100000187162_100011934356 [0,1,0,0,0,1|2,0,0]=4 9359 B13R1.158 FC(F)CSCc1ccccc1Cl 62a_100011934356_100000187162 [0,1,0,0,0,1|2,0,0]=4 9360 B13R1.158 FC(F)CSCc1ccccc1I 62a_100011216222_100011934356 [0,1,0,0,0,1|2,0,0]=4 9361 B13R1.158 FC(F)CSCc1ccccc1I 62a_100011934356_100011216222 [0,1,0,0,0,1|2,0,0]=4 9362 B13R1.158 Fc1ccccc1CNCC(F)F 207a_100000765723_100000210811 [0,1,0,0,0,1|2,0,0]=4 9363 B13R1.158 Fc1ccccc1CNCC(F)F 270004a_100000765723_100000210811 [0,1,0,0,0,1|2,0,0]=4 9364 B13R1.158 Fc1ccccc1CNCC(F)F 34a_100000174869_100011934356 [0,1,0,0,0,1|2,0,0]=4 9365 B13R1.158 Fc1ccccc1CNCC(F)F 34a_100000765723_100000211605 [0,1,0,0,0,1|2,0,0]=4 9366 B13R1.158 Fc1ccccc1COCC(F)F 34a_100000211962_100011934356 [0,1,0,0,0,1|2,0,0]=4 9367 B13R1.158 Fc1ccccc1COCC(F)F 34a_100000743014_100000211605 [0,1,0,0,0,1|2,0,0]=4 9368 B13R1.158 Fc1ccccc1COCC(F)F 7a_100000211962_100011934356 [0,1,0,0,0,1|2,0,0]=4 9369 B13R1.158 Fc1ccccc1CSCC(F)F 62a_100000211605_100011934356 [0,1,0,0,0,1|2,0,0]=4 9370 B13R1.158 Fc1ccccc1CSCC(F)F 62a_100011934356_100000211605 [0,1,0,0,0,1|2,0,0]=4 9371 B13R1.158 Nc1ccccc1COCC(F)F 34a_100000212039_100011934356 [0,1,0,0,0,1|2,0,0]=4 9372 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,1,0,0,0,1|1,0,1]=4 9373 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,1,0,0,0,1|1,0,1]=4 9374 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,1,0,0,0,1|1,0,1]=4 9375 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,1,0,0,0,1|1,0,1]=4 9376 B13R1.158 Oc1ccccc1CNCC(F)F 34a_100000185550_100011934356 [0,1,0,0,0,1|2,0,0]=4 9377 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,1,0,0,0,1|0,0,2]=4 9378 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,1,0,0,0,1|0,0,2]=4 9379 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Br 1458a_100000740817_200025704644 [0,1,0,0,0,1|0,0,2]=4 9380 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Cl 1458a_100000240438_200025704644 [0,1,0,0,0,1|0,0,2]=4 9381 B13R1.158 [13CH3]C(=O)CCOc1ccccc1F 1458a_100000184057_200025704644 [0,1,0,0,0,1|0,0,2]=4 9382 B13R1.158 [13CH3]C(=O)CCSc1ccccc1F 1458a_100000208832_200025704644 [0,1,0,0,0,1|0,0,2]=4 9383 B13R1.158 [13CH3]C(=O)CSCc1ccccc1Cl 1458a_100000150270_200025704644 [0,1,0,0,0,1|0,0,2]=4 9384 B13R1.158 [13CH3]C(=O)CSCc1ccccc1F 1458a_100000150260_200025704644 [0,1,0,0,0,1|0,0,2]=4 9385 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748629 [0,1,0,0,0,1|1,0,1]=4 9386 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000225649_100015291786 [0,1,0,0,0,1|1,0,1]=4 9387 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100015184565_200000210301 [0,1,0,0,0,1|1,0,1]=4 9388 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748629 [0,1,0,0,0,1|1,0,1]=4 9389 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000225649_100000211182 [0,1,0,0,0,1|1,0,1]=4 9390 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100015184565_200000210301 [0,1,0,0,0,1|1,0,1]=4 9391 B13R1.348 C=C(C)CN(C)Cc1ccccc1 270004a_100000225649_100015611070 [0,1,0,0,0,1|1,0,1]=4 9392 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 2230a_100015184565_200025704644 [0,1,0,0,0,1|1,0,1]=4 9393 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 269982a_100015184565_200025704644 [0,1,0,0,0,1|1,0,1]=4 9394 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,0,0,0,1|0,0,2]=4 9395 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,1,0,0,0,1|0,0,2]=4 9396 B13R1.348 CC(C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000210624 [0,1,0,0,0,1|2,0,0]=4 9397 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,1,0,0,0,1|1,0,0]=3 9398 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000210554_100000721315 [0,1,0,0,0,1|2,0,0]=4 9399 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000210624 [0,1,0,0,0,1|2,0,0]=4 9400 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000210554_100000733263 [0,1,0,0,0,1|2,0,0]=4 9401 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000210624 [0,1,0,0,0,1|2,0,0]=4 9402 B13R1.348 CC(C)CC(=O)Cc1ccncc1 1458a_100000210554_100000705612 [0,1,0,0,0,1|2,0,0]=4 9403 B13R1.348 CC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000210554 [0,1,0,0,0,1|1,0,1]=4 9404 B13R1.348 CC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000210554 [0,1,0,0,0,1|1,0,1]=4 9405 B13R1.348 CC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000210554 [0,1,0,0,0,1|1,0,1]=4 9406 B13R1.348 CC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000210554 [0,1,0,0,0,1|1,0,1]=4 9407 B13R1.348 CC(C)CC(C)Nc1ccccc1 34a_100000106764_100000731052 [0,1,0,0,0,1|1,0,0]=3 9408 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,1,0,0,0,1|1,0,0]=3 9409 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,1,0,0,0,1|1,0,0]=3 9410 B13R1.348 CC(C)CC(C)Oc1cccnc1 34a_100000210849_100000731052 [0,1,0,0,0,1|2,0,0]=4 9411 B13R1.348 CC(C)CC(C)Oc1cccnc1 7a_100000210849_100000731052 [0,1,0,0,0,1|2,0,0]=4 9412 B13R1.348 CC(C)CC(C)Oc1ccncc1 34a_100000212176_100000731052 [0,1,0,0,0,1|2,0,0]=4 9413 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000719477_100000731052 [0,1,0,0,0,1|1,0,0]=3 9414 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000731052_100000041952 [0,1,0,0,0,1|1,0,0]=3 9415 B13R1.348 CC(C)CC(C)Sc1ccccn1 62a_100000731052_100011216584 [0,1,0,0,0,1|2,0,0]=4 9416 B13R1.348 CC(C)CC(C)Sc1ccccn1 62a_100011216584_100000731052 [0,1,0,0,0,1|2,0,0]=4 9417 B13R1.348 CC(C)CC(C)Sc1cccnc1 62a_100000210063_100000731052 [0,1,0,0,0,1|2,0,0]=4 9418 B13R1.348 CC(C)CC(C)Sc1cccnc1 62a_100000731052_100000210063 [0,1,0,0,0,1|2,0,0]=4 9419 B13R1.348 CC(C)CC(C)Sc1ccncc1 62a_100000728582_100000731052 [0,1,0,0,0,1|2,0,0]=4 9420 B13R1.348 CC(C)CC(C)Sc1ccncc1 62a_100000731052_100000728582 [0,1,0,0,0,1|2,0,0]=4 9421 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000210760 [0,1,0,0,0,1|1,0,0]=3 9422 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000189081_200000210301 [0,1,0,0,0,1|1,0,0]=3 9423 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000747067_100015291786 [0,1,0,0,0,1|1,0,0]=3 9424 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000210624 [0,1,0,0,0,1|1,0,0]=3 9425 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000189081_200000210301 [0,1,0,0,0,1|1,0,0]=3 9426 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000747067_100000211182 [0,1,0,0,0,1|1,0,0]=3 9427 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000210432 [0,1,0,0,0,1|1,0,0]=3 9428 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000747067_100015611070 [0,1,0,0,0,1|1,0,0]=3 9429 B13R1.348 CC(C)CN(C)Cc1ccccc1 34a_100000189081_200000210301 [0,1,0,0,0,1|1,0,0]=3 9430 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000200742_200000210301 [0,1,0,0,0,1|2,0,0]=4 9431 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000207498_100000210760 [0,1,0,0,0,1|2,0,0]=4 9432 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000747067_100000721315 [0,1,0,0,0,1|2,0,0]=4 9433 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000200742_200000210301 [0,1,0,0,0,1|2,0,0]=4 9434 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000207498_100000210624 [0,1,0,0,0,1|2,0,0]=4 9435 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000747067_100000721315 [0,1,0,0,0,1|2,0,0]=4 9436 B13R1.348 CC(C)CN(C)Cc1ccccn1 270004a_100000207498_100000210432 [0,1,0,0,0,1|2,0,0]=4 9437 B13R1.348 CC(C)CN(C)Cc1ccccn1 270004a_100000747067_100000209966 [0,1,0,0,0,1|2,0,0]=4 9438 B13R1.348 CC(C)CN(C)Cc1cccnc1 2230a_100000184577_100000210760 [0,1,0,0,0,1|2,0,0]=4 9439 B13R1.348 CC(C)CN(C)Cc1cccnc1 2230a_100000747067_100000741622 [0,1,0,0,0,1|2,0,0]=4 9440 B13R1.348 CC(C)CN(C)Cc1cccnc1 2230a_106629246523_200000210301 [0,1,0,0,0,1|2,0,0]=4 9441 B13R1.348 CC(C)CN(C)Cc1cccnc1 269982a_100000184577_100000210624 [0,1,0,0,0,1|2,0,0]=4 9442 B13R1.348 CC(C)CN(C)Cc1cccnc1 269982a_100000747067_100000733263 [0,1,0,0,0,1|2,0,0]=4 9443 B13R1.348 CC(C)CN(C)Cc1cccnc1 269982a_106629246523_200000210301 [0,1,0,0,0,1|2,0,0]=4 9444 B13R1.348 CC(C)CN(C)Cc1cccnc1 270004a_100000184577_100000210432 [0,1,0,0,0,1|2,0,0]=4 9445 B13R1.348 CC(C)CN(C)Cc1cccnc1 270004a_100000747067_100000209961 [0,1,0,0,0,1|2,0,0]=4 9446 B13R1.348 CC(C)CN(C)Cc1ccncc1 2230a_100000187231_100000210760 [0,1,0,0,0,1|2,0,0]=4 9447 B13R1.348 CC(C)CN(C)Cc1ccncc1 2230a_100000747067_100015193705 [0,1,0,0,0,1|2,0,0]=4 9448 B13R1.348 CC(C)CN(C)Cc1ccncc1 269982a_100000187231_100000210624 [0,1,0,0,0,1|2,0,0]=4 9449 B13R1.348 CC(C)CN(C)Cc1ccncc1 269982a_100000747067_100015193705 [0,1,0,0,0,1|2,0,0]=4 9450 B13R1.348 CC(C)CN(C)Cc1ccncc1 269982a_100015183974_200000210301 [0,1,0,0,0,1|2,0,0]=4 9451 B13R1.348 CC(C)CN(C)Cc1ccncc1 270004a_100000187231_100000210432 [0,1,0,0,0,1|2,0,0]=4 9452 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 2230a_100000189081_200025704644 [0,1,0,0,0,1|1,0,0]=3 9453 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 269982a_100000189081_200025704644 [0,1,0,0,0,1|1,0,0]=3 9454 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 34a_100000189081_200025704644 [0,1,0,0,0,1|1,0,0]=3 9455 B13R1.348 CC(C)CN([13CH3])Cc1ccccn1 2230a_100000200742_200025704644 [0,1,0,0,0,1|2,0,0]=4 9456 B13R1.348 CC(C)CN([13CH3])Cc1ccccn1 269982a_100000200742_200025704644 [0,1,0,0,0,1|2,0,0]=4 9457 B13R1.348 CC(C)CN([13CH3])Cc1cccnc1 2230a_106629246523_200025704644 [0,1,0,0,0,1|2,0,0]=4 9458 B13R1.348 CC(C)CN([13CH3])Cc1cccnc1 269982a_106629246523_200025704644 [0,1,0,0,0,1|2,0,0]=4 9459 B13R1.348 CC(C)CN([13CH3])Cc1ccncc1 269982a_100015183974_200025704644 [0,1,0,0,0,1|2,0,0]=4 9460 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,1,0,0,0,1|1,0,0]=3 9461 B13R1.348 CC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000210206 [0,1,0,0,0,1|2,0,0]=4 9462 B13R1.348 CC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000210206 [0,1,0,0,0,1|2,0,0]=4 9463 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,1,0,0,0,1|1,0,0]=3 9464 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,1,0,0,0,1|1,0,0]=3 9465 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,1,0,0,0,1|1,0,0]=3 9466 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,1,0,0,0,1|1,0,0]=3 9467 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,1,0,0,0,1|1,0,0]=3 9468 B13R1.348 CC(CN(C)C)Sc1ccccc1 62a_100000719477_100020606517 [0,1,0,0,0,1|2,0,0]=4 9469 B13R1.348 CC(CN(C)C)Sc1ccccc1 62a_100020606517_100000041952 [0,1,0,0,0,1|2,0,0]=4 9470 B13R1.348 CC(O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100011218427 [0,1,0,0,0,1|1,0,0]=3 9471 B13R1.348 CC(O)CC(=O)Cc1ccccn1 1458a_100000233486_100011218427 [0,1,0,0,0,1|1,0,0]=3 9472 B13R1.348 CC(O)CC(=O)Cc1cccnc1 1458a_100000737805_100011218427 [0,1,0,0,0,1|1,0,0]=3 9473 B13R1.348 CC(O)CC(=O)Cc1cncnc1 1458a_100000721575_100011218427 [0,1,0,0,0,1|2,0,0]=4 9474 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,1,0,0,0,1|0,0,0]=2 9475 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,1,0,0,0,1|0,0,0]=2 9476 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,1,0,0,0,1|0,0,0]=2 9477 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,1,0,0,0,1|0,0,0]=2 9478 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,1,0,0,0,1|0,0,0]=2 9479 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,1,0,0,0,1|0,0,0]=2 9480 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,1,0,0,0,1|0,0,0]=2 9481 B13R1.348 CC(O)CN(C)Cc1ccccn1 2230a_100000207498_100011218427 [0,1,0,0,0,1|1,0,0]=3 9482 B13R1.348 CC(O)CN(C)Cc1ccccn1 2230a_100000227577_100000721315 [0,1,0,0,0,1|1,0,0]=3 9483 B13R1.348 CC(O)CN(C)Cc1ccccn1 269982a_100000207498_100011218427 [0,1,0,0,0,1|1,0,0]=3 9484 B13R1.348 CC(O)CN(C)Cc1ccccn1 269982a_100000227577_100000721315 [0,1,0,0,0,1|1,0,0]=3 9485 B13R1.348 CC(O)CN(C)Cc1ccccn1 270004a_100000227577_100000209966 [0,1,0,0,0,1|1,0,0]=3 9486 B13R1.348 CC(O)CN(C)Cc1cccnc1 2230a_100000184577_100011218427 [0,1,0,0,0,1|1,0,0]=3 9487 B13R1.348 CC(O)CN(C)Cc1cccnc1 2230a_100000227577_100000741622 [0,1,0,0,0,1|1,0,0]=3 9488 B13R1.348 CC(O)CN(C)Cc1cccnc1 269982a_100000184577_100011218427 [0,1,0,0,0,1|1,0,0]=3 9489 B13R1.348 CC(O)CN(C)Cc1cccnc1 269982a_100000227577_100000733263 [0,1,0,0,0,1|1,0,0]=3 9490 B13R1.348 CC(O)CN(C)Cc1cccnc1 270004a_100000227577_100000209961 [0,1,0,0,0,1|1,0,0]=3 9491 B13R1.348 CC(O)CN(C)Cc1cccnn1 2230a_100000227577_100016990269 [0,1,0,0,0,1|2,0,0]=4 9492 B13R1.348 CC(O)CN(C)Cc1ccncc1 2230a_100000187231_100011218427 [0,1,0,0,0,1|1,0,0]=3 9493 B13R1.348 CC(O)CN(C)Cc1ccncc1 2230a_100000227577_100015193705 [0,1,0,0,0,1|1,0,0]=3 9494 B13R1.348 CC(O)CN(C)Cc1ccncc1 269982a_100000187231_100011218427 [0,1,0,0,0,1|1,0,0]=3 9495 B13R1.348 CC(O)CN(C)Cc1ccncc1 269982a_100000227577_100015193705 [0,1,0,0,0,1|1,0,0]=3 9496 B13R1.348 CC(O)CN(C)Cc1ccnnc1 270004a_100000227577_100011934578 [0,1,0,0,0,1|2,0,0]=4 9497 B13R1.348 CC(O)CN(C)Cc1cnccn1 2230a_100000227577_100016995436 [0,1,0,0,0,1|2,0,0]=4 9498 B13R1.348 CC(O)CN(C)Cc1cnccn1 2230a_100011269079_100011218427 [0,1,0,0,0,1|2,0,0]=4 9499 B13R1.348 CC(O)CN(C)Cc1cnccn1 269982a_100000227577_100016995436 [0,1,0,0,0,1|2,0,0]=4 9500 B13R1.348 CC(O)CN(C)Cc1cnccn1 269982a_100011269079_100011218427 [0,1,0,0,0,1|2,0,0]=4 9501 B13R1.348 CC(O)CN(C)Cc1cnccn1 270004a_100000227577_100000749867 [0,1,0,0,0,1|2,0,0]=4 9502 B13R1.348 CC(O)CN(C)Cc1cncnc1 2230a_100000227577_100015196519 [0,1,0,0,0,1|2,0,0]=4 9503 B13R1.348 CC(O)CN(C)Cc1cncnc1 269982a_100000227577_100016991940 [0,1,0,0,0,1|2,0,0]=4 9504 B13R1.348 CC(O)CN(C)Cc1cncnc1 270004a_100000227577_100000749868 [0,1,0,0,0,1|2,0,0]=4 9505 B13R1.348 CC(O)CN(C)Cc1ncccn1 2230a_100000227577_100000703007 [0,1,0,0,0,1|2,0,0]=4 9506 B13R1.348 CC(O)CN(C)Cc1ncccn1 2230a_100025716638_100011218427 [0,1,0,0,0,1|2,0,0]=4 9507 B13R1.348 CC(O)CN(C)Cc1ncccn1 269982a_100000227577_100000703007 [0,1,0,0,0,1|2,0,0]=4 9508 B13R1.348 CC(O)CN(C)Cc1ncccn1 269982a_100025716638_100011218427 [0,1,0,0,0,1|2,0,0]=4 9509 B13R1.348 CC(O)CN(C)Cc1ncccn1 270004a_100000227577_100011532527 [0,1,0,0,0,1|2,0,0]=4 9510 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,1,0,0,0,1|0,0,0]=2 9511 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,1,0,0,0,1|0,0,0]=2 9512 B13R1.348 CN(C)CC(=O)Cc1ccccc1 1458a_100000750896_100015291786 [0,1,0,0,0,1|2,0,0]=4 9513 B13R1.348 CN(C)CC(=O)Cc1ccccc1 2230a_100102631434_100000233483 [0,1,0,0,0,1|2,0,0]=4 9514 B13R1.348 CN(C)CC(=O)Cc1ccccc1 269982a_100102631434_100000233483 [0,1,0,0,0,1|2,0,0]=4 9515 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,1,0,0,0,1|2,0,0]=4 9516 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,1,0,0,0,1|2,0,0]=4 9517 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,1,0,0,0,1|1,0,1]=4 9518 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,1,0,0,0,1|1,0,1]=4 9519 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,1,0,0,0,1|0,0,2]=4 9520 B13R1.348 CN(Cc1ccccc1)CC(F)F 2230a_100000186898_100011934356 [0,1,0,0,0,1|2,0,0]=4 9521 B13R1.348 CN(Cc1ccccc1)CC(F)F 269982a_100000186898_100011934356 [0,1,0,0,0,1|2,0,0]=4 9522 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,1,0,0,0,1|0,0,0]=2 9523 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccn1 1458a_100011933948_100000721315 [0,1,0,0,0,1|1,0,0]=3 9524 B13R1.348 C[C@@H](O)CC(=O)Cc1cccnc1 1458a_100011933948_100000733263 [0,1,0,0,0,1|1,0,0]=3 9525 B13R1.348 C[C@@H](O)CC(=O)Cc1cccnn1 1458a_100011933948_100016990269 [0,1,0,0,0,1|2,0,0]=4 9526 B13R1.348 C[C@@H](O)CC(=O)Cc1ccncc1 1458a_100011933948_100000705612 [0,1,0,0,0,1|1,0,0]=3 9527 B13R1.348 C[C@@H](O)CC(=O)Cc1cnccn1 1458a_100011933948_100016995436 [0,1,0,0,0,1|2,0,0]=4 9528 B13R1.348 C[C@@H](O)CC(=O)Cc1cncnc1 1458a_100011933948_100015196519 [0,1,0,0,0,1|2,0,0]=4 9529 B13R1.348 C[C@@H](O)CC(=O)Cc1ncccn1 1458a_100011933948_100000703007 [0,1,0,0,0,1|2,0,0]=4 9530 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,1,0,0,0,1|0,0,1]=3 9531 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,1,0,0,0,1|0,0,0]=2 9532 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,1,0,0,0,1|0,0,0]=2 9533 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 2230a_100000207498_100009817552 [0,1,0,0,0,1|1,0,0]=3 9534 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 269982a_100000207498_100009817552 [0,1,0,0,0,1|1,0,0]=3 9535 B13R1.348 C[C@@H](O)CN(C)Cc1cccnc1 2230a_100000184577_100009817552 [0,1,0,0,0,1|1,0,0]=3 9536 B13R1.348 C[C@@H](O)CN(C)Cc1cccnc1 269982a_100000184577_100009817552 [0,1,0,0,0,1|1,0,0]=3 9537 B13R1.348 C[C@@H](O)CN(C)Cc1ccncc1 2230a_100000187231_100009817552 [0,1,0,0,0,1|1,0,0]=3 9538 B13R1.348 C[C@@H](O)CN(C)Cc1ccncc1 269982a_100000187231_100009817552 [0,1,0,0,0,1|1,0,0]=3 9539 B13R1.348 C[C@@H](O)CN(C)Cc1cnccn1 2230a_100011269079_100009817552 [0,1,0,0,0,1|2,0,0]=4 9540 B13R1.348 C[C@@H](O)CN(C)Cc1cnccn1 269982a_100011269079_100009817552 [0,1,0,0,0,1|2,0,0]=4 9541 B13R1.348 C[C@@H](O)CN(C)Cc1ncccn1 2230a_100025716638_100009817552 [0,1,0,0,0,1|2,0,0]=4 9542 B13R1.348 C[C@@H](O)CN(C)Cc1ncccn1 269982a_100025716638_100009817552 [0,1,0,0,0,1|2,0,0]=4 9543 B13R1.348 C[S+](C)CC(=O)Cc1ccccc1 1458a_200159257847_100015291786 [0,1,0,0,0,1|2,0,0]=4 9544 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,1,0,0,0,1|1,0,1]=4 9545 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,1,0,0,0,1|1,0,1]=4 9546 B13R1.351 C=C(C)C(C)NCc1ccccc1 269862a_100015324214_100011216138 [0,1,0,0,0,1|1,0,1]=4 9547 B13R1.351 CC(=NNc1ccccc1)C(C)O 4a_100015195140_100000212229 [0,1,0,0,0,1|1,0,1]=4 9548 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,1|0,0,2]=4 9549 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,1,0,0,0,1|0,0,2]=4 9550 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,0,0,0,1|0,0,2]=4 9551 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,0,0,0,1|0,0,2]=4 9552 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,1,0,0,0,1|0,0,2]=4 9553 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,1,0,0,0,1|0,0,2]=4 9554 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,1,0,0,0,1|0,0,2]=4 9555 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,1,0,0,0,1|0,0,2]=4 9556 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,1,0,0,0,1|0,0,2]=4 9557 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,1,0,0,0,1|0,0,2]=4 9558 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,1,0,0,0,1|0,0,2]=4 9559 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,1,0,0,0,1|0,0,2]=4 9560 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,0,0,0,1|0,0,2]=4 9561 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000210206 [0,1,0,0,0,1|1,0,0]=3 9562 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000210198_100000765856 [0,1,0,0,0,1|1,0,0]=3 9563 B13R1.351 CC(C)C(=O)CCc1ccccn1 1458a_100000210198_100015183660 [0,1,0,0,0,1|2,0,0]=4 9564 B13R1.351 CC(C)C(=O)CCc1ccccn1 1458a_100015195070_100000210206 [0,1,0,0,0,1|2,0,0]=4 9565 B13R1.351 CC(C)C(=O)CCc1cccnc1 1458a_100000198484_100000210206 [0,1,0,0,0,1|2,0,0]=4 9566 B13R1.351 CC(C)C(=O)CCc1cccnc1 1458a_100000210198_200011713674 [0,1,0,0,0,1|2,0,0]=4 9567 B13R1.351 CC(C)C(=O)CCc1ccncc1 1458a_100000210198_100000723409 [0,1,0,0,0,1|2,0,0]=4 9568 B13R1.351 CC(C)C(=O)CCc1ccncc1 1458a_100011225043_100000210206 [0,1,0,0,0,1|2,0,0]=4 9569 B13R1.351 CC(C)C(=O)CNc1ccccc1 34a_100000106764_100000753385 [0,1,0,0,0,1|1,0,1]=4 9570 B13R1.351 CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000210206 [0,1,0,0,0,1|1,0,1]=4 9571 B13R1.351 CC(C)C(=O)COc1ccccc1 34a_100000210340_100000753385 [0,1,0,0,0,1|1,0,1]=4 9572 B13R1.351 CC(C)C(=O)COc1ccccc1 7a_100000210340_100000753385 [0,1,0,0,0,1|1,0,1]=4 9573 B13R1.351 CC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000210206 [0,1,0,0,0,1|1,0,1]=4 9574 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000719477_100000753385 [0,1,0,0,0,1|1,0,1]=4 9575 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000753385_100000041952 [0,1,0,0,0,1|1,0,1]=4 9576 B13R1.351 CC(C)C(=O)NCc1ccccc1 11a_100015324214_100000210198 [0,1,0,0,0,1|1,0,1]=4 9577 B13R1.351 CC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000210198 [0,1,0,0,0,1|1,0,1]=4 9578 B13R1.351 CC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000210198 [0,1,0,0,0,1|1,0,1]=4 9579 B13R1.351 CC(C)C(=O)NCc1ccccc1 527a_100015324214_100000210198 [0,1,0,0,0,1|1,0,1]=4 9580 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,1,0,0,0,1|1,0,0]=3 9581 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,1,0,0,0,1|1,0,0]=3 9582 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,1,0,0,0,1|1,0,0]=3 9583 B13R1.351 CC(C)C(C)NCc1ccccn1 207a_100000211541_100000209966 [0,1,0,0,0,1|2,0,0]=4 9584 B13R1.351 CC(C)C(C)NCc1ccccn1 2230a_100000211541_100000721315 [0,1,0,0,0,1|2,0,0]=4 9585 B13R1.351 CC(C)C(C)NCc1ccccn1 270004a_100000211541_100000209966 [0,1,0,0,0,1|2,0,0]=4 9586 B13R1.351 CC(C)C(C)NCc1cccnc1 207a_100000211541_100000209961 [0,1,0,0,0,1|2,0,0]=4 9587 B13R1.351 CC(C)C(C)NCc1cccnc1 2230a_100000211541_100000741622 [0,1,0,0,0,1|2,0,0]=4 9588 B13R1.351 CC(C)C(C)NCc1cccnc1 270004a_100000211541_100000209961 [0,1,0,0,0,1|2,0,0]=4 9589 B13R1.351 CC(C)C(C)NCc1ccncc1 207a_100000211541_100000186114 [0,1,0,0,0,1|2,0,0]=4 9590 B13R1.351 CC(C)C(C)NCc1ccncc1 2230a_100000211541_100015193705 [0,1,0,0,0,1|2,0,0]=4 9591 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,1,0,0,0,1|1,0,0]=3 9592 B13R1.351 CC(C)C(C)OCc1ccccn1 7a_100000748068_100000721315 [0,1,0,0,0,1|2,0,0]=4 9593 B13R1.351 CC(C)C(C)OCc1cccnc1 7a_100000748068_100000741622 [0,1,0,0,0,1|2,0,0]=4 9594 B13R1.351 CC(C)C(C)OCc1ccncc1 7a_100000748068_100015193705 [0,1,0,0,0,1|2,0,0]=4 9595 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000200190_200000210301 [0,1,0,0,0,1|1,0,0]=3 9596 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000207497_100000210206 [0,1,0,0,0,1|1,0,0]=3 9597 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000200190_200000210301 [0,1,0,0,0,1|1,0,0]=3 9598 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000207497_100000210206 [0,1,0,0,0,1|1,0,0]=3 9599 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_200000211004_100000765856 [0,1,0,0,0,1|1,0,0]=3 9600 B13R1.351 CC(C)N(C)CCc1ccccc1 34a_100000200190_200000210301 [0,1,0,0,0,1|1,0,0]=3 9601 B13R1.351 CC(C)N(C)CCc1ccccn1 2230a_100000737206_100000210206 [0,1,0,0,0,1|2,0,0]=4 9602 B13R1.351 CC(C)N(C)CCc1ccccn1 269982a_100000737206_100000210206 [0,1,0,0,0,1|2,0,0]=4 9603 B13R1.351 CC(C)N(C)CCc1ccccn1 269982a_200000211004_100015183660 [0,1,0,0,0,1|2,0,0]=4 9604 B13R1.351 CC(C)N(C)CCc1cccnc1 2230a_100000763209_100000210206 [0,1,0,0,0,1|2,0,0]=4 9605 B13R1.351 CC(C)N(C)CCc1cccnc1 269982a_100000763209_100000210206 [0,1,0,0,0,1|2,0,0]=4 9606 B13R1.351 CC(C)N(C)CCc1cccnc1 269982a_200000211004_200011713674 [0,1,0,0,0,1|2,0,0]=4 9607 B13R1.351 CC(C)N(C)CCc1ccncc1 2230a_100000742850_100000210206 [0,1,0,0,0,1|2,0,0]=4 9608 B13R1.351 CC(C)N(C)CCc1ccncc1 269982a_100000742850_100000210206 [0,1,0,0,0,1|2,0,0]=4 9609 B13R1.351 CC(C)N(C)CCc1ccncc1 269982a_200000211004_100000723409 [0,1,0,0,0,1|2,0,0]=4 9610 B13R1.351 CC(C)N(C)CSc1ccccc1 269982a_200000211004_100011218342 [0,1,0,0,0,1|2,0,0]=4 9611 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 2230a_100000200190_200025704644 [0,1,0,0,0,1|1,0,0]=3 9612 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 269982a_100000200190_200025704644 [0,1,0,0,0,1|1,0,0]=3 9613 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 34a_100000200190_200025704644 [0,1,0,0,0,1|1,0,0]=3 9614 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,1|0,0,2]=4 9615 B13R1.351 CC(CCc1ccccc1)N(C)C 270004a_100102631434_100000210092 [0,1,0,0,0,1|2,0,0]=4 9616 B13R1.351 CC(COc1ccccc1)N(C)C 270004a_100102631434_100000150576 [0,1,0,0,0,1|2,0,0]=4 9617 B13R1.351 CC(CSc1ccccc1)N(C)C 270004a_100102631434_100000150717 [0,1,0,0,0,1|2,0,0]=4 9618 B13R1.351 CC(F)C(=O)CCc1ccccc1 1458a_100000062450_100000765856 [0,1,0,0,0,1|1,0,0]=3 9619 B13R1.351 CC(F)C(=O)CCc1ccccn1 1458a_100000062450_100015183660 [0,1,0,0,0,1|2,0,0]=4 9620 B13R1.351 CC(F)C(=O)CCc1cccnc1 1458a_100000062450_200011713674 [0,1,0,0,0,1|2,0,0]=4 9621 B13R1.351 CC(F)C(=O)CCc1ccncc1 1458a_100000062450_100000723409 [0,1,0,0,0,1|2,0,0]=4 9622 B13R1.351 CC(F)C(=O)NCc1ccccc1 11a_100015324214_100000062450 [0,1,0,0,0,1|1,0,1]=4 9623 B13R1.351 CC(F)C(=O)NCc1ccccc1 1626a_100015324214_100000062450 [0,1,0,0,0,1|1,0,1]=4 9624 B13R1.351 CC(F)C(=O)NCc1ccccc1 240690a_100015324214_100000062450 [0,1,0,0,0,1|1,0,1]=4 9625 B13R1.351 CC(F)C(=O)NCc1ccccc1 527a_100015324214_100000062450 [0,1,0,0,0,1|1,0,1]=4 9626 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,1,0,0,0,1|0,0,2]=4 9627 B13R1.351 CN(C)C(=O)CCc1ccccc1 11a_100102631434_100000185753 [0,1,0,0,0,1|2,0,0]=4 9628 B13R1.351 CN(C)C(=O)CCc1ccccc1 1626a_100102631434_100000185753 [0,1,0,0,0,1|2,0,0]=4 9629 B13R1.351 CN(C)C(=O)CCc1ccccc1 240690a_100102631434_100000185753 [0,1,0,0,0,1|2,0,0]=4 9630 B13R1.351 CN(C)C(=O)CCc1ccccc1 271570a_200010232142_100000210277 [0,1,0,0,0,1|2,0,0]=4 9631 B13R1.351 CN(C)C(=O)CCc1ccccc1 527a_100102631434_100000185753 [0,1,0,0,0,1|2,0,0]=4 9632 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,1,0,0,0,1|0,0,0]=2 9633 B13R1.351 C[C@@H](O)C(=O)CCc1ccccn1 1458a_100000717761_100015183660 [0,1,0,0,0,1|1,0,0]=3 9634 B13R1.351 C[C@@H](O)C(=O)CCc1cccnc1 1458a_100000717761_200011713674 [0,1,0,0,0,1|1,0,0]=3 9635 B13R1.351 C[C@@H](O)C(=O)CCc1ccncc1 1458a_100000717761_100000723409 [0,1,0,0,0,1|1,0,0]=3 9636 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000717761 [0,1,0,0,0,1|0,0,1]=3 9637 B13R1.351 C[C@@H](O)C(=O)NCc1ccccn1 240690a_100000210449_100000717761 [0,1,0,0,0,1|1,0,1]=4 9638 B13R1.351 C[C@@H](O)C(=O)NCc1cccnc1 240690a_100000210453_100000717761 [0,1,0,0,0,1|1,0,1]=4 9639 B13R1.351 C[C@@H](O)C(=O)NCc1ccncc1 240690a_100000210450_100000717761 [0,1,0,0,0,1|1,0,1]=4 9640 B13R1.351 C[C@@H](O)C(=O)NNc1ccccc1 22a_100015195140_100000717761 [0,1,0,0,0,1|1,0,1]=4 9641 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,1|1,0,1]=4 9642 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,1,0,0,0,1|0,0,0]=2 9643 B13R1.351 C[C@H](O)C(=O)CCc1ccccn1 1458a_217856618621_100015183660 [0,1,0,0,0,1|1,0,0]=3 9644 B13R1.351 C[C@H](O)C(=O)CCc1cccnc1 1458a_217856618621_200011713674 [0,1,0,0,0,1|1,0,0]=3 9645 B13R1.351 C[C@H](O)C(=O)CCc1ccncc1 1458a_217856618621_100000723409 [0,1,0,0,0,1|1,0,0]=3 9646 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_217856618621 [0,1,0,0,0,1|0,0,1]=3 9647 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_217856618621 [0,1,0,0,0,1|0,0,1]=3 9648 B13R1.351 C[C@H](O)C(=O)NCc1ccccn1 1626a_100000210449_217856618621 [0,1,0,0,0,1|1,0,1]=4 9649 B13R1.351 C[C@H](O)C(=O)NCc1ccccn1 240690a_100000210449_217856618621 [0,1,0,0,0,1|1,0,1]=4 9650 B13R1.351 C[C@H](O)C(=O)NCc1cccnc1 240690a_100000210453_217856618621 [0,1,0,0,0,1|1,0,1]=4 9651 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 1626a_100000210450_217856618621 [0,1,0,0,0,1|1,0,1]=4 9652 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 240690a_100000210450_217856618621 [0,1,0,0,0,1|1,0,1]=4 9653 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_217856618621 [0,1,0,0,0,1|1,0,1]=4 9654 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,0,0,0,1|0,0,2]=4 9655 B13R1.351 O=C(CCc1ccccc1)C(O)O 1458a_100000233687_100000765856 [0,1,0,0,0,1|1,0,0]=3 9656 B13R1.351 O=C(CCc1ccccn1)C(O)O 1458a_100000233687_100015183660 [0,1,0,0,0,1|2,0,0]=4 9657 B13R1.351 O=C(CCc1cccnc1)C(O)O 1458a_100000233687_200011713674 [0,1,0,0,0,1|2,0,0]=4 9658 B13R1.351 O=C(CCc1ccncc1)C(O)O 1458a_100000233687_100000723409 [0,1,0,0,0,1|2,0,0]=4 9659 B13R1.351 O=C(NCc1ccccc1)C(O)O 240690a_100015324214_100000233687 [0,1,0,0,0,1|1,0,1]=4 9660 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,1,0,0,0,1|0,0,2]=4 9661 B13R1.513 C=C(C)CCNc1ccc(cc1)Br 2230a_100000210018_100000730704 [0,1,0,0,0,1|1,0,1]=4 9662 B13R1.513 C=C(C)CCNc1ccc(cc1)Br 34a_100000210018_100000730704 [0,1,0,0,0,1|1,0,1]=4 9663 B13R1.513 C=C(C)CCNc1ccc(cc1)C 34a_100000124888_100000730704 [0,1,0,0,0,1|1,0,1]=4 9664 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000730704 [0,1,0,0,0,1|1,0,1]=4 9665 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000730704 [0,1,0,0,0,1|1,0,1]=4 9666 B13R1.513 C=C(C)CCNc1ccc(cc1)F 34a_100000185862_100000730704 [0,1,0,0,0,1|1,0,1]=4 9667 B13R1.513 C=C(C)CCNc1ccc(cc1)I 34a_100000185761_100000730704 [0,1,0,0,0,1|1,0,1]=4 9668 B13R1.513 C=C(C)CCNc1ccc(cc1)O 34a_100000185829_100000730704 [0,1,0,0,0,1|1,0,1]=4 9669 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 34a_100000185759_100000730704 [0,1,0,0,0,1|1,0,1]=4 9670 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 7a_100000185759_100000730704 [0,1,0,0,0,1|1,0,1]=4 9671 B13R1.513 C=C(C)CCOc1ccc(cc1)C 34a_100000210336_100000730704 [0,1,0,0,0,1|1,0,1]=4 9672 B13R1.513 C=C(C)CCOc1ccc(cc1)C 7a_100000210336_100000730704 [0,1,0,0,0,1|1,0,1]=4 9673 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000730704 [0,1,0,0,0,1|1,0,1]=4 9674 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000730704 [0,1,0,0,0,1|1,0,1]=4 9675 B13R1.513 C=C(C)CCOc1ccc(cc1)F 34a_100000210339_100000730704 [0,1,0,0,0,1|1,0,1]=4 9676 B13R1.513 C=C(C)CCOc1ccc(cc1)I 34a_100000212066_100000730704 [0,1,0,0,0,1|1,0,1]=4 9677 B13R1.513 C=C(C)CCOc1ccc(cc1)I 7a_100000212066_100000730704 [0,1,0,0,0,1|1,0,1]=4 9678 B13R1.513 C=C(C)CCOc1ccc(cc1)N 34a_100000185829_100000730704 [0,1,0,0,0,1|1,0,1]=4 9679 B13R1.513 C=C(C)CCSc1ccc(cc1)Br 62a_100000730704_100000752885 [0,1,0,0,0,1|1,0,1]=4 9680 B13R1.513 C=C(C)CCSc1ccc(cc1)Br 62a_100000752885_100000730704 [0,1,0,0,0,1|1,0,1]=4 9681 B13R1.513 C=C(C)CCSc1ccc(cc1)C 62a_100000186775_100000730704 [0,1,0,0,0,1|1,0,1]=4 9682 B13R1.513 C=C(C)CCSc1ccc(cc1)C 62a_100000730704_100000186775 [0,1,0,0,0,1|1,0,1]=4 9683 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000730704_100000755918 [0,1,0,0,0,1|1,0,1]=4 9684 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000730704 [0,1,0,0,0,1|1,0,1]=4 9685 B13R1.513 C=C(C)CCSc1ccc(cc1)F 62a_100000211213_100000730704 [0,1,0,0,0,1|1,0,1]=4 9686 B13R1.513 C=C(C)CCSc1ccc(cc1)F 62a_100000730704_100000211213 [0,1,0,0,0,1|1,0,1]=4 9687 B13R1.513 C=C(C)CCSc1ccc(cc1)N 62a_100000185761_100000730704 [0,1,0,0,0,1|1,0,1]=4 9688 B13R1.513 C=C(C)CCSc1ccc(cc1)N 62a_100000730704_100000185761 [0,1,0,0,0,1|1,0,1]=4 9689 B13R1.513 C=C(C)CCSc1ccc(cc1)O 62a_100000730704_100000185759 [0,1,0,0,0,1|1,0,1]=4 9690 B13R1.513 C=C(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000748629 [0,1,0,0,0,1|1,0,1]=4 9691 B13R1.513 C=C(C)CNCc1ccc(cc1)Br 34a_100000174875_100000748629 [0,1,0,0,0,1|1,0,1]=4 9692 B13R1.513 C=C(C)CNCc1ccc(cc1)C 2230a_100000174908_100000748629 [0,1,0,0,0,1|1,0,1]=4 9693 B13R1.513 C=C(C)CNCc1ccc(cc1)C 34a_100000174908_100000748629 [0,1,0,0,0,1|1,0,1]=4 9694 B13R1.513 C=C(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000748629 [0,1,0,0,0,1|1,0,1]=4 9695 B13R1.513 C=C(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000748629 [0,1,0,0,0,1|1,0,1]=4 9696 B13R1.513 C=C(C)CNCc1ccc(cc1)F 2230a_100000174882_100000748629 [0,1,0,0,0,1|1,0,1]=4 9697 B13R1.513 C=C(C)CNCc1ccc(cc1)F 34a_100000174882_100000748629 [0,1,0,0,0,1|1,0,1]=4 9698 B13R1.513 C=C(C)CNCc1ccc(cc1)I 2230a_100016989417_100000748629 [0,1,0,0,0,1|1,0,1]=4 9699 B13R1.513 C=C(C)CNCc1ccc(cc1)I 34a_100016989417_100000748629 [0,1,0,0,0,1|1,0,1]=4 9700 B13R1.513 C=C(C)CNCc1ccc(cc1)O 34a_100000185549_100000748629 [0,1,0,0,0,1|1,0,1]=4 9701 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000210245_100000189115 [0,1,0,0,0,1|1,0,1]=4 9702 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000695286_100000748629 [0,1,0,0,0,1|1,0,1]=4 9703 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100000210245_100000210814 [0,1,0,0,0,1|1,0,1]=4 9704 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100011215236_100000748629 [0,1,0,0,0,1|1,0,1]=4 9705 B13R1.513 C=C(C)COCc1ccc(cc1)C 7a_100011215236_100000748629 [0,1,0,0,0,1|1,0,1]=4 9706 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000210245_100000694040 [0,1,0,0,0,1|1,0,1]=4 9707 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748629 [0,1,0,0,0,1|1,0,1]=4 9708 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748629 [0,1,0,0,0,1|1,0,1]=4 9709 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210245_100000198546 [0,1,0,0,0,1|1,0,1]=4 9710 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210977_100000748629 [0,1,0,0,0,1|1,0,1]=4 9711 B13R1.513 C=C(C)COCc1ccc(cc1)F 7a_100000210977_100000748629 [0,1,0,0,0,1|1,0,1]=4 9712 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000210245_100000189116 [0,1,0,0,0,1|1,0,1]=4 9713 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000690907_100000748629 [0,1,0,0,0,1|1,0,1]=4 9714 B13R1.513 C=C(C)COCc1ccc(cc1)I 7a_100000690907_100000748629 [0,1,0,0,0,1|1,0,1]=4 9715 B13R1.513 C=C(C)COCc1ccc(cc1)N 34a_100011215238_100000748629 [0,1,0,0,0,1|1,0,1]=4 9716 B13R1.513 C=C(C)CSCc1ccc(cc1)Br 62a_100000189115_100000211660 [0,1,0,0,0,1|1,0,1]=4 9717 B13R1.513 C=C(C)CSCc1ccc(cc1)Br 62a_100000748629_100000189115 [0,1,0,0,0,1|1,0,1]=4 9718 B13R1.513 C=C(C)CSCc1ccc(cc1)C 62a_100000210814_100000211660 [0,1,0,0,0,1|1,0,1]=4 9719 B13R1.513 C=C(C)CSCc1ccc(cc1)C 62a_100000748629_100000210814 [0,1,0,0,0,1|1,0,1]=4 9720 B13R1.513 C=C(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000211660 [0,1,0,0,0,1|1,0,1]=4 9721 B13R1.513 C=C(C)CSCc1ccc(cc1)Cl 62a_100000748629_100000187161 [0,1,0,0,0,1|1,0,1]=4 9722 B13R1.513 C=C(C)CSCc1ccc(cc1)F 62a_100000198546_100000211660 [0,1,0,0,0,1|1,0,1]=4 9723 B13R1.513 C=C(C)CSCc1ccc(cc1)F 62a_100000748629_100000187164 [0,1,0,0,0,1|1,0,1]=4 9724 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000189116_100000211660 [0,1,0,0,0,1|1,0,1]=4 9725 B13R1.513 C=C(C)CSCc1ccc(cc1)I 62a_100000748629_100000189116 [0,1,0,0,0,1|1,0,1]=4 9726 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,1,0,0,0,1|0,0,2]=4 9727 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,1,0,0,0,1|0,0,2]=4 9728 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,1,0,0,0,1|0,0,2]=4 9729 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,1,0,0,0,1|0,0,2]=4 9730 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,1,0,0,0,1|0,0,2]=4 9731 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,1,0,0,0,1|0,0,2]=4 9732 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,1,0,0,0,1|0,0,2]=4 9733 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,1,0,0,0,1|0,0,2]=4 9734 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,1,0,0,0,1|0,0,2]=4 9735 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000070787_100000183278 [0,1,0,0,0,1|0,0,2]=4 9736 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200000210301 [0,1,0,0,0,1|0,0,2]=4 9737 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000053229 [0,1,0,0,0,1|0,0,2]=4 9738 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000070787_100000183172 [0,1,0,0,0,1|0,0,2]=4 9739 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000182323_200000210301 [0,1,0,0,0,1|0,0,2]=4 9740 B13R1.513 CC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000053229 [0,1,0,0,0,1|0,0,2]=4 9741 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [0,1,0,0,0,1|0,0,2]=4 9742 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [0,1,0,0,0,1|0,0,2]=4 9743 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [0,1,0,0,0,1|0,0,2]=4 9744 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000070787_100000184936 [0,1,0,0,0,1|0,0,2]=4 9745 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000737396_200000210301 [0,1,0,0,0,1|0,0,2]=4 9746 B13R1.513 CC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000053229 [0,1,0,0,0,1|0,0,2]=4 9747 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200000210301 [0,1,0,0,0,1|0,0,2]=4 9748 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000053229_100000752885 [0,1,0,0,0,1|0,0,2]=4 9749 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000053229 [0,1,0,0,0,1|0,0,2]=4 9750 B13R1.513 CC(=O)CCSc1ccc(cc1)C 1458a_100000182377_200000210301 [0,1,0,0,0,1|0,0,2]=4 9751 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000053229_100000186775 [0,1,0,0,0,1|0,0,2]=4 9752 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000053229 [0,1,0,0,0,1|0,0,2]=4 9753 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200000210301 [0,1,0,0,0,1|0,0,2]=4 9754 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000053229_100000755918 [0,1,0,0,0,1|0,0,2]=4 9755 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000053229 [0,1,0,0,0,1|0,0,2]=4 9756 B13R1.513 CC(=O)CCSc1ccc(cc1)F 1458a_100000199091_200000210301 [0,1,0,0,0,1|0,0,2]=4 9757 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000053229_100000211213 [0,1,0,0,0,1|0,0,2]=4 9758 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000053229 [0,1,0,0,0,1|0,0,2]=4 9759 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000053229_100000185761 [0,1,0,0,0,1|0,0,2]=4 9760 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000053229 [0,1,0,0,0,1|0,0,2]=4 9761 B13R1.513 CC(=O)CCSc1ccc(cc1)O 62a_100000053229_100000185759 [0,1,0,0,0,1|0,0,2]=4 9762 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [0,1,0,0,0,1|0,0,2]=4 9763 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [0,1,0,0,0,1|0,0,2]=4 9764 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [0,1,0,0,0,1|0,0,2]=4 9765 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,1,0,0,0,1|0,0,2]=4 9766 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [0,1,0,0,0,1|0,0,2]=4 9767 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [0,1,0,0,0,1|0,0,2]=4 9768 B13R1.513 CC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200000210301 [0,1,0,0,0,1|0,0,2]=4 9769 B13R1.513 CC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200000210301 [0,1,0,0,0,1|0,0,2]=4 9770 B13R1.513 CC(=O)CSCc1ccc(cc1)F 1458a_100000150272_200000210301 [0,1,0,0,0,1|0,0,2]=4 9771 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [0,1,0,0,0,1|0,0,2]=4 9772 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [0,1,0,0,0,1|0,0,2]=4 9773 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [0,1,0,0,0,1|0,0,2]=4 9774 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [0,1,0,0,0,1|0,0,2]=4 9775 B13R1.513 CC(=O)NCCc1ccc(cc1)C 11a_100000705350_100015343762 [0,1,0,0,0,1|0,0,2]=4 9776 B13R1.513 CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100015343762 [0,1,0,0,0,1|0,0,2]=4 9777 B13R1.513 CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100015343762 [0,1,0,0,0,1|0,0,2]=4 9778 B13R1.513 CC(=O)NCCc1ccc(cc1)C 527a_100000705350_100103153847 [0,1,0,0,0,1|0,0,2]=4 9779 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100015343762 [0,1,0,0,0,1|0,0,2]=4 9780 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100015343762 [0,1,0,0,0,1|0,0,2]=4 9781 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100015343762 [0,1,0,0,0,1|0,0,2]=4 9782 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100103153847 [0,1,0,0,0,1|0,0,2]=4 9783 B13R1.513 CC(=O)NCCc1ccc(cc1)F 11a_100000199005_100015343762 [0,1,0,0,0,1|0,0,2]=4 9784 B13R1.513 CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100015343762 [0,1,0,0,0,1|0,0,2]=4 9785 B13R1.513 CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100015343762 [0,1,0,0,0,1|0,0,2]=4 9786 B13R1.513 CC(=O)NCCc1ccc(cc1)F 527a_100000199005_100103153847 [0,1,0,0,0,1|0,0,2]=4 9787 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [0,1,0,0,0,1|0,0,2]=4 9788 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [0,1,0,0,0,1|0,0,2]=4 9789 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [0,1,0,0,0,1|0,0,2]=4 9790 B13R1.513 CC(Br)COCc1ccc(cc1)Br 34a_100012180447_100000189115 [0,1,0,0,0,1|1,0,0]=3 9791 B13R1.513 CC(Br)COCc1ccc(cc1)Cl 34a_100012180447_100000694040 [0,1,0,0,0,1|1,0,0]=3 9792 B13R1.513 CC(Br)COCc1ccc(cc1)F 34a_100012180447_100000198546 [0,1,0,0,0,1|1,0,0]=3 9793 B13R1.513 CC(Br)COCc1ccc(cc1)I 34a_100012180447_100000189116 [0,1,0,0,0,1|1,0,0]=3 9794 B13R1.513 CC(Br)COCc1ccc(cn1)Br 34a_100012180447_100000702658 [0,1,0,0,0,1|2,0,0]=4 9795 B13R1.513 CC(Br)COCc1ccc(cn1)Cl 34a_100012180447_100012066911 [0,1,0,0,0,1|2,0,0]=4 9796 B13R1.513 CC(Br)COCc1ccc(cn1)F 34a_100012180447_100000703193 [0,1,0,0,0,1|2,0,0]=4 9797 B13R1.513 CC(Br)COCc1ccc(nc1)Br 34a_100012180447_100009831999 [0,1,0,0,0,1|2,0,0]=4 9798 B13R1.513 CC(Br)COCc1ccc(nc1)Cl 34a_100012180447_100000735431 [0,1,0,0,0,1|2,0,0]=4 9799 B13R1.513 CC(Br)COCc1ccc(nc1)F 34a_100012180447_100000099788 [0,1,0,0,0,1|2,0,0]=4 9800 B13R1.513 CC(C)CC=Cc1ccc(cc1)Br 271570a_100016259101_100000752885 [0,1,0,0,0,1|1,0,1]=4 9801 B13R1.513 CC(C)CC=Cc1ccc(cc1)Cl 271570a_100016259101_100000755918 [0,1,0,0,0,1|1,0,1]=4 9802 B13R1.513 CC(C)CC=Cc1ccc(cc1)F 271570a_100016259101_100000211213 [0,1,0,0,0,1|1,0,1]=4 9803 B13R1.513 CC(C)CC=Cc1ccc(cc1)N 271570a_100016259101_100000185761 [0,1,0,0,0,1|1,0,1]=4 9804 B13R1.513 CC(C)CC=Cc1ccc(cc1)O 271570a_100016259101_100000185759 [0,1,0,0,0,1|1,0,1]=4 9805 B13R1.513 CC(C)CCNc1ccc(cc1)Br 2230a_100000210018_100000210312 [0,1,0,0,0,1|1,0,0]=3 9806 B13R1.513 CC(C)CCNc1ccc(cc1)Br 34a_100000210018_100000210312 [0,1,0,0,0,1|1,0,0]=3 9807 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000210312 [0,1,0,0,0,1|1,0,0]=3 9808 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000210312 [0,1,0,0,0,1|1,0,0]=3 9809 B13R1.513 CC(C)CCNc1ccc(cc1)F 34a_100000185862_100000210312 [0,1,0,0,0,1|1,0,0]=3 9810 B13R1.513 CC(C)CCNc1ccc(cc1)I 34a_100000185761_100000210312 [0,1,0,0,0,1|1,0,0]=3 9811 B13R1.513 CC(C)CCNc1ccc(cc1)O 34a_100000185829_100000210312 [0,1,0,0,0,1|1,0,0]=3 9812 B13R1.513 CC(C)CCNc1ccc(cn1)Br 27a_100000210545_100000686858 [0,1,0,0,0,1|2,0,0]=4 9813 B13R1.513 CC(C)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210312 [0,1,0,0,0,1|2,0,0]=4 9814 B13R1.513 CC(C)CCOc1ccc(cc1)Br 34a_100000185759_100000210312 [0,1,0,0,0,1|1,0,0]=3 9815 B13R1.513 CC(C)CCOc1ccc(cc1)Br 7a_100000185759_100000210626 [0,1,0,0,0,1|1,0,0]=3 9816 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000210312 [0,1,0,0,0,1|1,0,0]=3 9817 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000210626 [0,1,0,0,0,1|1,0,0]=3 9818 B13R1.513 CC(C)CCOc1ccc(cc1)F 34a_100000210339_100000210312 [0,1,0,0,0,1|1,0,0]=3 9819 B13R1.513 CC(C)CCOc1ccc(cc1)I 34a_100000212066_100000210312 [0,1,0,0,0,1|1,0,0]=3 9820 B13R1.513 CC(C)CCOc1ccc(cc1)I 7a_100000212066_100000210626 [0,1,0,0,0,1|1,0,0]=3 9821 B13R1.513 CC(C)CCOc1ccc(cc1)N 34a_100000185829_100000210312 [0,1,0,0,0,1|1,0,0]=3 9822 B13R1.513 CC(C)CCOc1ccc(cn1)Cl 34a_100011215309_100000210312 [0,1,0,0,0,1|2,0,0]=4 9823 B13R1.513 CC(C)CCOc1ccc(cn1)F 34a_100000742473_100000210312 [0,1,0,0,0,1|2,0,0]=4 9824 B13R1.513 CC(C)CCOc1ccc(cn1)N 34a_100000729260_100000210312 [0,1,0,0,0,1|2,0,0]=4 9825 B13R1.513 CC(C)CCOc1ccc(nc1)Br 34a_100000685995_100000210312 [0,1,0,0,0,1|2,0,0]=4 9826 B13R1.513 CC(C)CCOc1ccc(nc1)Br 7a_100000685995_100000210626 [0,1,0,0,0,1|2,0,0]=4 9827 B13R1.513 CC(C)CCOc1ccc(nc1)Cl 34a_100000744096_100000210312 [0,1,0,0,0,1|2,0,0]=4 9828 B13R1.513 CC(C)CCOc1ccc(nc1)Cl 7a_100000744096_100000210626 [0,1,0,0,0,1|2,0,0]=4 9829 B13R1.513 CC(C)CCOc1ccc(nc1)F 34a_100000688820_100000210312 [0,1,0,0,0,1|2,0,0]=4 9830 B13R1.513 CC(C)CCOc1ccc(nc1)F 7a_100000688820_100000210626 [0,1,0,0,0,1|2,0,0]=4 9831 B13R1.513 CC(C)CCOc1ccc(nc1)I 34a_100000687607_100000210312 [0,1,0,0,0,1|2,0,0]=4 9832 B13R1.513 CC(C)CCOc1ccc(nc1)I 7a_100000687607_100000210626 [0,1,0,0,0,1|2,0,0]=4 9833 B13R1.513 CC(C)CCOc1ccc(nc1)N 34a_100015188713_100000210312 [0,1,0,0,0,1|2,0,0]=4 9834 B13R1.513 CC(C)CCOc1ccc(nc1)N 7a_100015188713_100000210626 [0,1,0,0,0,1|2,0,0]=4 9835 B13R1.513 CC(C)CCSc1cc[n+](cc1)[O-] 62a_100000210312_100000039755 [0,1,0,0,0,1|2,0,0]=4 9836 B13R1.513 CC(C)CCSc1ccc(=O)[nH]c1 62a_100000210312_100000212171 [0,1,0,0,0,1|2,0,0]=4 9837 B13R1.513 CC(C)CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210312 [0,1,0,0,0,1|2,0,0]=4 9838 B13R1.513 CC(C)CCSc1ccc(cc1)Br 62a_100000210312_100000752885 [0,1,0,0,0,1|1,0,0]=3 9839 B13R1.513 CC(C)CCSc1ccc(cc1)Br 62a_100000752885_100000210312 [0,1,0,0,0,1|1,0,0]=3 9840 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000210312_100000755918 [0,1,0,0,0,1|1,0,0]=3 9841 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000210312 [0,1,0,0,0,1|1,0,0]=3 9842 B13R1.513 CC(C)CCSc1ccc(cc1)F 62a_100000210312_100000211213 [0,1,0,0,0,1|1,0,0]=3 9843 B13R1.513 CC(C)CCSc1ccc(cc1)F 62a_100000211213_100000210312 [0,1,0,0,0,1|1,0,0]=3 9844 B13R1.513 CC(C)CCSc1ccc(cc1)N 62a_100000185761_100000210312 [0,1,0,0,0,1|1,0,0]=3 9845 B13R1.513 CC(C)CCSc1ccc(cc1)N 62a_100000210312_100000185761 [0,1,0,0,0,1|1,0,0]=3 9846 B13R1.513 CC(C)CCSc1ccc(cc1)O 271570a_203496583355_200009813137 [0,1,0,0,0,1|1,0,0]=3 9847 B13R1.513 CC(C)CCSc1ccc(cc1)O 62a_100000210312_100000185759 [0,1,0,0,0,1|1,0,0]=3 9848 B13R1.513 CC(C)CCSc1ccc(cn1)Br 62a_100000210312_100000686858 [0,1,0,0,0,1|2,0,0]=4 9849 B13R1.513 CC(C)CCSc1ccc(cn1)Br 62a_100000686858_100000210312 [0,1,0,0,0,1|2,0,0]=4 9850 B13R1.513 CC(C)CCSc1ccc(cn1)Cl 62a_100000210312_100011356976 [0,1,0,0,0,1|2,0,0]=4 9851 B13R1.513 CC(C)CCSc1ccc(cn1)Cl 62a_100011356976_100000210312 [0,1,0,0,0,1|2,0,0]=4 9852 B13R1.513 CC(C)CCSc1ccc(cn1)F 62a_100000210312_100000744514 [0,1,0,0,0,1|2,0,0]=4 9853 B13R1.513 CC(C)CCSc1ccc(cn1)F 62a_100000744514_100000210312 [0,1,0,0,0,1|2,0,0]=4 9854 B13R1.513 CC(C)CCSc1ccc(cn1)N 62a_100000210312_100000737798 [0,1,0,0,0,1|2,0,0]=4 9855 B13R1.513 CC(C)CCSc1ccc(cn1)N 62a_100000737798_100000210312 [0,1,0,0,0,1|2,0,0]=4 9856 B13R1.513 CC(C)CCSc1ccc(cn1)O 62a_100000210312_100000744096 [0,1,0,0,0,1|2,0,0]=4 9857 B13R1.513 CC(C)CCSc1ccc(cn1)O 62a_100000685995_100000210312 [0,1,0,0,0,1|2,0,0]=4 9858 B13R1.513 CC(C)CCSc1ccc(nc1)Br 62a_100000210312_100009814638 [0,1,0,0,0,1|2,0,0]=4 9859 B13R1.513 CC(C)CCSc1ccc(nc1)Br 62a_100009814638_100000210312 [0,1,0,0,0,1|2,0,0]=4 9860 B13R1.513 CC(C)CCSc1ccc(nc1)Cl 62a_100000034144_100000210312 [0,1,0,0,0,1|2,0,0]=4 9861 B13R1.513 CC(C)CCSc1ccc(nc1)Cl 62a_100000210312_100000034144 [0,1,0,0,0,1|2,0,0]=4 9862 B13R1.513 CC(C)CCSc1ccc(nc1)F 62a_100000042367_100000210312 [0,1,0,0,0,1|2,0,0]=4 9863 B13R1.513 CC(C)CCSc1ccc(nc1)F 62a_100000210312_100000042367 [0,1,0,0,0,1|2,0,0]=4 9864 B13R1.513 CC(C)CCSc1ccc(nc1)N 62a_100000187370_100000210312 [0,1,0,0,0,1|2,0,0]=4 9865 B13R1.513 CC(C)CCSc1ccc(nc1)N 62a_100000210312_100000187370 [0,1,0,0,0,1|2,0,0]=4 9866 B13R1.513 CC(C)CNCc1ccc(cc1)Br 207a_100000210953_100000186029 [0,1,0,0,0,1|1,0,0]=3 9867 B13R1.513 CC(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000210760 [0,1,0,0,0,1|1,0,0]=3 9868 B13R1.513 CC(C)CNCc1ccc(cc1)Br 2230a_100000210953_100011217064 [0,1,0,0,0,1|1,0,0]=3 9869 B13R1.513 CC(C)CNCc1ccc(cc1)Br 26a_100000210953_100000185759 [0,1,0,0,0,1|1,0,0]=3 9870 B13R1.513 CC(C)CNCc1ccc(cc1)Br 270004a_100000174875_100000210432 [0,1,0,0,0,1|1,0,0]=3 9871 B13R1.513 CC(C)CNCc1ccc(cc1)Br 270004a_100000210953_100000186029 [0,1,0,0,0,1|1,0,0]=3 9872 B13R1.513 CC(C)CNCc1ccc(cc1)Br 34a_100000174875_100000210624 [0,1,0,0,0,1|1,0,0]=3 9873 B13R1.513 CC(C)CNCc1ccc(cc1)Br 34a_100000210953_100000189115 [0,1,0,0,0,1|1,0,0]=3 9874 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 207a_100000210953_100000189385 [0,1,0,0,0,1|1,0,0]=3 9875 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000210760 [0,1,0,0,0,1|1,0,0]=3 9876 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000210953_100000694040 [0,1,0,0,0,1|1,0,0]=3 9877 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000210432 [0,1,0,0,0,1|1,0,0]=3 9878 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000210953_100000189385 [0,1,0,0,0,1|1,0,0]=3 9879 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000210624 [0,1,0,0,0,1|1,0,0]=3 9880 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000210953_100000694040 [0,1,0,0,0,1|1,0,0]=3 9881 B13R1.513 CC(C)CNCc1ccc(cc1)F 207a_100000210953_100000210084 [0,1,0,0,0,1|1,0,0]=3 9882 B13R1.513 CC(C)CNCc1ccc(cc1)F 2230a_100000174882_100000210760 [0,1,0,0,0,1|1,0,0]=3 9883 B13R1.513 CC(C)CNCc1ccc(cc1)F 2230a_100000210953_100000198546 [0,1,0,0,0,1|1,0,0]=3 9884 B13R1.513 CC(C)CNCc1ccc(cc1)F 270004a_100000174882_100000210432 [0,1,0,0,0,1|1,0,0]=3 9885 B13R1.513 CC(C)CNCc1ccc(cc1)F 270004a_100000210953_100000210084 [0,1,0,0,0,1|1,0,0]=3 9886 B13R1.513 CC(C)CNCc1ccc(cc1)F 34a_100000174882_100000210624 [0,1,0,0,0,1|1,0,0]=3 9887 B13R1.513 CC(C)CNCc1ccc(cc1)F 34a_100000210953_100000198546 [0,1,0,0,0,1|1,0,0]=3 9888 B13R1.513 CC(C)CNCc1ccc(cc1)I 207a_100000210953_100000188517 [0,1,0,0,0,1|1,0,0]=3 9889 B13R1.513 CC(C)CNCc1ccc(cc1)I 2230a_100000210953_100000189116 [0,1,0,0,0,1|1,0,0]=3 9890 B13R1.513 CC(C)CNCc1ccc(cc1)I 2230a_100016989417_100000210760 [0,1,0,0,0,1|1,0,0]=3 9891 B13R1.513 CC(C)CNCc1ccc(cc1)I 270004a_100016989417_100000210432 [0,1,0,0,0,1|1,0,0]=3 9892 B13R1.513 CC(C)CNCc1ccc(cc1)I 34a_100000210953_100000189116 [0,1,0,0,0,1|1,0,0]=3 9893 B13R1.513 CC(C)CNCc1ccc(cc1)I 34a_100016989417_100000210624 [0,1,0,0,0,1|1,0,0]=3 9894 B13R1.513 CC(C)CNCc1ccc(cc1)O 271570a_203496583355_100015183326 [0,1,0,0,0,1|1,0,0]=3 9895 B13R1.513 CC(C)CNCc1ccc(cc1)O 34a_100000185549_100000210624 [0,1,0,0,0,1|1,0,0]=3 9896 B13R1.513 CC(C)CNCc1ccc(cn1)Br 207a_100000210953_100000754260 [0,1,0,0,0,1|2,0,0]=4 9897 B13R1.513 CC(C)CNCc1ccc(cn1)Br 2230a_100000210953_100000702658 [0,1,0,0,0,1|2,0,0]=4 9898 B13R1.513 CC(C)CNCc1ccc(cn1)Br 270004a_100000210953_100000754260 [0,1,0,0,0,1|2,0,0]=4 9899 B13R1.513 CC(C)CNCc1ccc(cn1)Br 34a_100000210953_100000702658 [0,1,0,0,0,1|2,0,0]=4 9900 B13R1.513 CC(C)CNCc1ccc(cn1)Br 34a_100015188789_100000210624 [0,1,0,0,0,1|2,0,0]=4 9901 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 207a_100000210953_100011361569 [0,1,0,0,0,1|2,0,0]=4 9902 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 2230a_100000210953_100012066911 [0,1,0,0,0,1|2,0,0]=4 9903 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 270004a_100000210953_100011361569 [0,1,0,0,0,1|2,0,0]=4 9904 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 270004a_100000697193_100000210432 [0,1,0,0,0,1|2,0,0]=4 9905 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 34a_100000210953_100012066911 [0,1,0,0,0,1|2,0,0]=4 9906 B13R1.513 CC(C)CNCc1ccc(cn1)Cl 34a_100000697193_100000210624 [0,1,0,0,0,1|2,0,0]=4 9907 B13R1.513 CC(C)CNCc1ccc(cn1)F 207a_100000210953_100011934744 [0,1,0,0,0,1|2,0,0]=4 9908 B13R1.513 CC(C)CNCc1ccc(cn1)F 2230a_100000210953_100000703193 [0,1,0,0,0,1|2,0,0]=4 9909 B13R1.513 CC(C)CNCc1ccc(cn1)F 270004a_100000210953_100011934744 [0,1,0,0,0,1|2,0,0]=4 9910 B13R1.513 CC(C)CNCc1ccc(cn1)F 34a_100000210953_100000703193 [0,1,0,0,0,1|2,0,0]=4 9911 B13R1.513 CC(C)CNCc1ccc(cn1)F 34a_100020620131_100000210624 [0,1,0,0,0,1|2,0,0]=4 9912 B13R1.513 CC(C)CNCc1ccc(nc1)Br 2230a_100000210953_100009831999 [0,1,0,0,0,1|2,0,0]=4 9913 B13R1.513 CC(C)CNCc1ccc(nc1)Br 2230a_100009817727_100000210760 [0,1,0,0,0,1|2,0,0]=4 9914 B13R1.513 CC(C)CNCc1ccc(nc1)Br 270004a_100009817727_100000210432 [0,1,0,0,0,1|2,0,0]=4 9915 B13R1.513 CC(C)CNCc1ccc(nc1)Br 34a_100000210953_100009831999 [0,1,0,0,0,1|2,0,0]=4 9916 B13R1.513 CC(C)CNCc1ccc(nc1)Br 34a_100009817727_100000210624 [0,1,0,0,0,1|2,0,0]=4 9917 B13R1.513 CC(C)CNCc1ccc(nc1)Cl 2230a_100000210953_100000735431 [0,1,0,0,0,1|2,0,0]=4 9918 B13R1.513 CC(C)CNCc1ccc(nc1)Cl 2230a_100000735879_100000210760 [0,1,0,0,0,1|2,0,0]=4 9919 B13R1.513 CC(C)CNCc1ccc(nc1)Cl 270004a_100000735879_100000210432 [0,1,0,0,0,1|2,0,0]=4 9920 B13R1.513 CC(C)CNCc1ccc(nc1)Cl 34a_100000210953_100000735431 [0,1,0,0,0,1|2,0,0]=4 9921 B13R1.513 CC(C)CNCc1ccc(nc1)Cl 34a_100000735879_100000210624 [0,1,0,0,0,1|2,0,0]=4 9922 B13R1.513 CC(C)CNCc1ccc(nc1)F 2230a_100000101913_100000210760 [0,1,0,0,0,1|2,0,0]=4 9923 B13R1.513 CC(C)CNCc1ccc(nc1)F 2230a_100000210953_100009820150 [0,1,0,0,0,1|2,0,0]=4 9924 B13R1.513 CC(C)CNCc1ccc(nc1)F 270004a_100000101913_100000210432 [0,1,0,0,0,1|2,0,0]=4 9925 B13R1.513 CC(C)CNCc1ccc(nc1)F 34a_100000101913_100000210624 [0,1,0,0,0,1|2,0,0]=4 9926 B13R1.513 CC(C)CNCc1ccc(nc1)F 34a_100000210953_100000099788 [0,1,0,0,0,1|2,0,0]=4 9927 B13R1.513 CC(C)CNCc1ccc(nc1)O 207a_100000210953_100011361521 [0,1,0,0,0,1|2,0,0]=4 9928 B13R1.513 CC(C)CNCc1ccc(nc1)O 2230a_100000757128_100000210760 [0,1,0,0,0,1|2,0,0]=4 9929 B13R1.513 CC(C)COCc1cc[n+](cc1)C 34a_100009831711_100000210624 [0,1,0,0,0,1|2,0,0]=4 9930 B13R1.513 CC(C)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000210624 [0,1,0,0,0,1|2,0,0]=4 9931 B13R1.513 CC(C)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000210760 [0,1,0,0,0,1|2,0,0]=4 9932 B13R1.513 CC(C)COCc1ccc(=O)[nH]c1 34a_100011999846_100000210624 [0,1,0,0,0,1|2,0,0]=4 9933 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000210257_100000189115 [0,1,0,0,0,1|1,0,0]=3 9934 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000695286_100000210624 [0,1,0,0,0,1|1,0,0]=3 9935 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000210257_100000694040 [0,1,0,0,0,1|1,0,0]=3 9936 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000211118_100000210624 [0,1,0,0,0,1|1,0,0]=3 9937 B13R1.513 CC(C)COCc1ccc(cc1)Cl 7a_100000211118_100000210760 [0,1,0,0,0,1|1,0,0]=3 9938 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210257_100000198546 [0,1,0,0,0,1|1,0,0]=3 9939 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210977_100000210624 [0,1,0,0,0,1|1,0,0]=3 9940 B13R1.513 CC(C)COCc1ccc(cc1)F 7a_100000210977_100000210760 [0,1,0,0,0,1|1,0,0]=3 9941 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000210257_100000189116 [0,1,0,0,0,1|1,0,0]=3 9942 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000690907_100000210624 [0,1,0,0,0,1|1,0,0]=3 9943 B13R1.513 CC(C)COCc1ccc(cc1)I 7a_100000690907_100000210760 [0,1,0,0,0,1|1,0,0]=3 9944 B13R1.513 CC(C)COCc1ccc(cc1)N 34a_100011215238_100000210624 [0,1,0,0,0,1|1,0,0]=3 9945 B13R1.513 CC(C)COCc1ccc(cn1)Br 34a_100000210257_100000702658 [0,1,0,0,0,1|2,0,0]=4 9946 B13R1.513 CC(C)COCc1ccc(cn1)Br 34a_100000754261_100000210624 [0,1,0,0,0,1|2,0,0]=4 9947 B13R1.513 CC(C)COCc1ccc(cn1)Cl 34a_100000210257_100012066911 [0,1,0,0,0,1|2,0,0]=4 9948 B13R1.513 CC(C)COCc1ccc(cn1)Cl 34a_100000703999_100000210624 [0,1,0,0,0,1|2,0,0]=4 9949 B13R1.513 CC(C)COCc1ccc(cn1)F 34a_100000210257_100000703193 [0,1,0,0,0,1|2,0,0]=4 9950 B13R1.513 CC(C)COCc1ccc(cn1)F 34a_100011999454_100000210624 [0,1,0,0,0,1|2,0,0]=4 9951 B13R1.513 CC(C)COCc1ccc(cn1)N 34a_100011998161_100000210624 [0,1,0,0,0,1|2,0,0]=4 9952 B13R1.513 CC(C)COCc1ccc(nc1)Br 34a_100000210257_100009831999 [0,1,0,0,0,1|2,0,0]=4 9953 B13R1.513 CC(C)COCc1ccc(nc1)Br 34a_100009816760_100000210624 [0,1,0,0,0,1|2,0,0]=4 9954 B13R1.513 CC(C)COCc1ccc(nc1)Br 7a_100009816760_100000210760 [0,1,0,0,0,1|2,0,0]=4 9955 B13R1.513 CC(C)COCc1ccc(nc1)Cl 34a_100000210257_100000735431 [0,1,0,0,0,1|2,0,0]=4 9956 B13R1.513 CC(C)COCc1ccc(nc1)Cl 34a_100000755211_100000210624 [0,1,0,0,0,1|2,0,0]=4 9957 B13R1.513 CC(C)COCc1ccc(nc1)Cl 7a_100000755211_100000210760 [0,1,0,0,0,1|2,0,0]=4 9958 B13R1.513 CC(C)COCc1ccc(nc1)F 34a_100000079959_100000210624 [0,1,0,0,0,1|2,0,0]=4 9959 B13R1.513 CC(C)COCc1ccc(nc1)F 34a_100000210257_100000099788 [0,1,0,0,0,1|2,0,0]=4 9960 B13R1.513 CC(C)COCc1ccc(nc1)N 34a_100000704267_100000210624 [0,1,0,0,0,1|2,0,0]=4 9961 B13R1.513 CC(C)CSCc1ccc(cc1)Br 62a_100000189115_100000210760 [0,1,0,0,0,1|1,0,0]=3 9962 B13R1.513 CC(C)CSCc1ccc(cc1)Br 62a_100000210624_100000189115 [0,1,0,0,0,1|1,0,0]=3 9963 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000210760 [0,1,0,0,0,1|1,0,0]=3 9964 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000210624_100000187161 [0,1,0,0,0,1|1,0,0]=3 9965 B13R1.513 CC(C)CSCc1ccc(cc1)F 62a_100000198546_100000210760 [0,1,0,0,0,1|1,0,0]=3 9966 B13R1.513 CC(C)CSCc1ccc(cc1)F 62a_100000210624_100000187164 [0,1,0,0,0,1|1,0,0]=3 9967 B13R1.513 CC(C)CSCc1ccc(cc1)I 62a_100000189116_100000210760 [0,1,0,0,0,1|1,0,0]=3 9968 B13R1.513 CC(C)CSCc1ccc(cc1)I 62a_100000210624_100000189116 [0,1,0,0,0,1|1,0,0]=3 9969 B13R1.513 CC(C)CSCc1ccc(cn1)Br 62a_100000210624_100000702658 [0,1,0,0,0,1|2,0,0]=4 9970 B13R1.513 CC(C)CSCc1ccc(cn1)Br 62a_100000702658_100000210760 [0,1,0,0,0,1|2,0,0]=4 9971 B13R1.513 CC(C)CSCc1ccc(cn1)Cl 62a_100000210624_100000697101 [0,1,0,0,0,1|2,0,0]=4 9972 B13R1.513 CC(C)CSCc1ccc(cn1)Cl 62a_100012066911_100000210760 [0,1,0,0,0,1|2,0,0]=4 9973 B13R1.513 CC(C)CSCc1ccc(cn1)F 62a_100000210624_100000703193 [0,1,0,0,0,1|2,0,0]=4 9974 B13R1.513 CC(C)CSCc1ccc(cn1)F 62a_100000703193_100000210760 [0,1,0,0,0,1|2,0,0]=4 9975 B13R1.513 CC(C)CSCc1ccc(nc1)Br 62a_100000210624_100009831999 [0,1,0,0,0,1|2,0,0]=4 9976 B13R1.513 CC(C)CSCc1ccc(nc1)Br 62a_100009831999_100000210760 [0,1,0,0,0,1|2,0,0]=4 9977 B13R1.513 CC(C)CSCc1ccc(nc1)Cl 62a_100000210624_100000735431 [0,1,0,0,0,1|2,0,0]=4 9978 B13R1.513 CC(C)CSCc1ccc(nc1)Cl 62a_100000735431_100000210760 [0,1,0,0,0,1|2,0,0]=4 9979 B13R1.513 CC(C)CSCc1ccc(nc1)F 62a_100000210624_100000099788 [0,1,0,0,0,1|2,0,0]=4 9980 B13R1.513 CC(C)CSCc1ccc(nc1)F 62a_100009820150_100000210760 [0,1,0,0,0,1|2,0,0]=4 9981 B13R1.513 CC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000210206 [0,1,0,0,0,1|1,0,0]=3 9982 B13R1.513 CC(C)NCCc1ccc(cc1)Br 2230a_100138425928_100011740612 [0,1,0,0,0,1|1,0,0]=3 9983 B13R1.513 CC(C)NCCc1ccc(cc1)Br 34a_100000755846_100000210206 [0,1,0,0,0,1|1,0,0]=3 9984 B13R1.513 CC(C)NCCc1ccc(cc1)Br 34a_100138425928_100011740612 [0,1,0,0,0,1|1,0,0]=3 9985 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000210206 [0,1,0,0,0,1|1,0,0]=3 9986 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100138425928_100011713675 [0,1,0,0,0,1|1,0,0]=3 9987 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000210206 [0,1,0,0,0,1|1,0,0]=3 9988 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100138425928_100011713675 [0,1,0,0,0,1|1,0,0]=3 9989 B13R1.513 CC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000210206 [0,1,0,0,0,1|1,0,0]=3 9990 B13R1.513 CC(C)NCCc1ccc(cc1)F 2230a_100138425928_100011217392 [0,1,0,0,0,1|1,0,0]=3 9991 B13R1.513 CC(C)NCCc1ccc(cc1)F 34a_100000199005_100000210206 [0,1,0,0,0,1|1,0,0]=3 9992 B13R1.513 CC(C)NCCc1ccc(cc1)F 34a_100138425928_100011217392 [0,1,0,0,0,1|1,0,0]=3 9993 B13R1.513 CC(C)NCCc1ccc(cc1)O 2230a_100138425928_100009816426 [0,1,0,0,0,1|1,0,0]=3 9994 B13R1.513 CC(C)NCCc1ccc(cc1)O 34a_100000743037_100000210206 [0,1,0,0,0,1|1,0,0]=3 9995 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000212225_100011740612 [0,1,0,0,0,1|1,0,0]=3 9996 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000766406_100000210206 [0,1,0,0,0,1|1,0,0]=3 9997 B13R1.513 CC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000210206 [0,1,0,0,0,1|1,0,0]=3 9998 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100000212225_100011713675 [0,1,0,0,0,1|1,0,0]=3 9999 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000210206 [0,1,0,0,0,1|1,0,0]=3 10000 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000210206 [0,1,0,0,0,1|1,0,0]=3 10001 B13R1.513 CC(C)OCCc1ccc(cc1)F 34a_100000212225_100011217392 [0,1,0,0,0,1|1,0,0]=3 10002 B13R1.513 CC(C)OCCc1ccc(cc1)F 34a_100000754732_100000210206 [0,1,0,0,0,1|1,0,0]=3 10003 B13R1.513 CC(C)OCCc1ccc(cc1)F 7a_100000754732_100000210206 [0,1,0,0,0,1|1,0,0]=3 10004 B13R1.513 CC(C)OCCc1ccc(cc1)I 34a_100012291149_100000210206 [0,1,0,0,0,1|1,0,0]=3 10005 B13R1.513 CC(C)OCCc1ccc(cc1)I 7a_100012291149_100000210206 [0,1,0,0,0,1|1,0,0]=3 10006 B13R1.513 CC(C)OCCc1ccc(cc1)N 34a_100011204434_100000210206 [0,1,0,0,0,1|1,0,0]=3 10007 B13R1.513 CC(C)OCCc1ccc(cn1)Br 34a_100012357577_100000210206 [0,1,0,0,0,1|2,0,0]=4 10008 B13R1.513 CC(C)OCCc1ccc(nc1)Cl 34a_100009880866_100000210206 [0,1,0,0,0,1|2,0,0]=4 10009 B13R1.513 CC(C)OCCc1ccc(nc1)Cl 7a_100009880866_100000210206 [0,1,0,0,0,1|2,0,0]=4 10010 B13R1.513 CC(C)OCNc1ccc(cc1)Br 2230a_100000210018_100000709892 [0,1,0,0,0,1|2,0,0]=4 10011 B13R1.513 CC(C)OCNc1ccc(cc1)Br 34a_100000210018_100000709892 [0,1,0,0,0,1|2,0,0]=4 10012 B13R1.513 CC(C)OCNc1ccc(cc1)Cl 2230a_100000210052_100000709892 [0,1,0,0,0,1|2,0,0]=4 10013 B13R1.513 CC(C)OCNc1ccc(cc1)Cl 34a_100000210052_100000709892 [0,1,0,0,0,1|2,0,0]=4 10014 B13R1.513 CC(C)OCNc1ccc(cc1)F 34a_100000185862_100000709892 [0,1,0,0,0,1|2,0,0]=4 10015 B13R1.513 CC(C)OCNc1ccc(cc1)I 34a_100000185761_100000709892 [0,1,0,0,0,1|2,0,0]=4 10016 B13R1.513 CC(C)OCNc1ccc(cc1)O 34a_100000185829_100000709892 [0,1,0,0,0,1|2,0,0]=4 10017 B13R1.513 CC(C)OCOc1ccc(cc1)Br 34a_100000185759_100000709892 [0,1,0,0,0,1|2,0,0]=4 10018 B13R1.513 CC(C)OCOc1ccc(cc1)Cl 34a_100000210216_100000709892 [0,1,0,0,0,1|2,0,0]=4 10019 B13R1.513 CC(C)OCOc1ccc(cc1)F 34a_100000210339_100000709892 [0,1,0,0,0,1|2,0,0]=4 10020 B13R1.513 CC(C)OCOc1ccc(cc1)I 34a_100000212066_100000709892 [0,1,0,0,0,1|2,0,0]=4 10021 B13R1.513 CC(C)OCOc1ccc(cc1)N 34a_100000185829_100000709892 [0,1,0,0,0,1|2,0,0]=4 10022 B13R1.513 CC(C)OCSc1ccc(cc1)Br 62a_100000709892_100000752885 [0,1,0,0,0,1|2,0,0]=4 10023 B13R1.513 CC(C)OCSc1ccc(cc1)Br 62a_100000752885_100000709892 [0,1,0,0,0,1|2,0,0]=4 10024 B13R1.513 CC(C)OCSc1ccc(cc1)Cl 62a_100000709892_100000755918 [0,1,0,0,0,1|2,0,0]=4 10025 B13R1.513 CC(C)OCSc1ccc(cc1)Cl 62a_100000755918_100000709892 [0,1,0,0,0,1|2,0,0]=4 10026 B13R1.513 CC(C)OCSc1ccc(cc1)F 62a_100000211213_100000709892 [0,1,0,0,0,1|2,0,0]=4 10027 B13R1.513 CC(C)OCSc1ccc(cc1)F 62a_100000709892_100000211213 [0,1,0,0,0,1|2,0,0]=4 10028 B13R1.513 CC(C)OCSc1ccc(cc1)N 62a_100000185761_100000709892 [0,1,0,0,0,1|2,0,0]=4 10029 B13R1.513 CC(C)OCSc1ccc(cc1)N 62a_100000709892_100000185761 [0,1,0,0,0,1|2,0,0]=4 10030 B13R1.513 CC(C)OCSc1ccc(cc1)O 62a_100000709892_100000185759 [0,1,0,0,0,1|2,0,0]=4 10031 B13R1.513 CC(C)SCCc1ccc(cc1)Br 62a_100000210206_100011740612 [0,1,0,0,0,1|1,0,0]=3 10032 B13R1.513 CC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000210206 [0,1,0,0,0,1|1,0,0]=3 10033 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100000210206_100011713675 [0,1,0,0,0,1|1,0,0]=3 10034 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000210206 [0,1,0,0,0,1|1,0,0]=3 10035 B13R1.513 CC(C)SCCc1ccc(cc1)F 62a_100000210206_100011217392 [0,1,0,0,0,1|1,0,0]=3 10036 B13R1.513 CC(C)SCCc1ccc(cc1)F 62a_100011217392_100000210206 [0,1,0,0,0,1|1,0,0]=3 10037 B13R1.513 CC(C)SCCc1ccc(cc1)O 62a_100000210206_100009816426 [0,1,0,0,0,1|1,0,0]=3 10038 B13R1.513 CC(C)SCCc1ccc(cc1)O 62a_100009816426_100000210206 [0,1,0,0,0,1|1,0,0]=3 10039 B13R1.513 CC(F)COCc1ccc(cc1)Br 34a_100015925927_100000189115 [0,1,0,0,0,1|1,0,0]=3 10040 B13R1.513 CC(F)COCc1ccc(cc1)Cl 34a_100015925927_100000694040 [0,1,0,0,0,1|1,0,0]=3 10041 B13R1.513 CC(F)COCc1ccc(cc1)F 34a_100015925927_100000198546 [0,1,0,0,0,1|1,0,0]=3 10042 B13R1.513 CC(F)COCc1ccc(cc1)I 34a_100015925927_100000189116 [0,1,0,0,0,1|1,0,0]=3 10043 B13R1.513 CC(F)COCc1ccc(cn1)Br 34a_100015925927_100000702658 [0,1,0,0,0,1|2,0,0]=4 10044 B13R1.513 CC(F)COCc1ccc(cn1)Cl 34a_100015925927_100012066911 [0,1,0,0,0,1|2,0,0]=4 10045 B13R1.513 CC(F)COCc1ccc(cn1)F 34a_100015925927_100000703193 [0,1,0,0,0,1|2,0,0]=4 10046 B13R1.513 CC(F)COCc1ccc(nc1)Br 34a_100015925927_100009831999 [0,1,0,0,0,1|2,0,0]=4 10047 B13R1.513 CC(F)COCc1ccc(nc1)Cl 34a_100015925927_100000735431 [0,1,0,0,0,1|2,0,0]=4 10048 B13R1.513 CC(F)COCc1ccc(nc1)F 34a_100015925927_100000099788 [0,1,0,0,0,1|2,0,0]=4 10049 B13R1.513 CC(O)CCNc1ccc(cc1)Br 2230a_100000210018_100012276601 [0,1,0,0,0,1|0,0,0]=2 10050 B13R1.513 CC(O)CCNc1ccc(cc1)Br 34a_100000210018_100012276601 [0,1,0,0,0,1|0,0,0]=2 10051 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2230a_100000210052_100012276601 [0,1,0,0,0,1|0,0,0]=2 10052 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 34a_100000210052_100012276601 [0,1,0,0,0,1|0,0,0]=2 10053 B13R1.513 CC(O)CCNc1ccc(cc1)F 34a_100000185862_100012276601 [0,1,0,0,0,1|0,0,0]=2 10054 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [0,1,0,0,0,1|0,0,0]=2 10055 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [0,1,0,0,0,1|0,0,0]=2 10056 B13R1.513 CC(O)CCNc1ccc(cn1)Br 27a_200000755665_100000686858 [0,1,0,0,0,1|1,0,0]=3 10057 B13R1.513 CC(O)CCNc1cnc(cn1)Br 27a_200000755665_100010187541 [0,1,0,0,0,1|2,0,0]=4 10058 B13R1.513 CC(O)CCNc1cnc(cn1)F 27a_200000755665_100009856528 [0,1,0,0,0,1|2,0,0]=4 10059 B13R1.513 CC(O)CCNc1ncc(cn1)Br 27a_200000755665_100000690281 [0,1,0,0,0,1|2,0,0]=4 10060 B13R1.513 CC(O)CCNc1ncc(cn1)Cl 27a_200000755665_100011356929 [0,1,0,0,0,1|2,0,0]=4 10061 B13R1.513 CC(O)CCNc1ncc(cn1)F 27a_200000755665_100000685220 [0,1,0,0,0,1|2,0,0]=4 10062 B13R1.513 CC(O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100012276601 [0,1,0,0,0,1|1,0,0]=3 10063 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [0,1,0,0,0,1|0,0,0]=2 10064 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [0,1,0,0,0,1|0,0,0]=2 10065 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [0,1,0,0,0,1|0,0,0]=2 10066 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [0,1,0,0,0,1|0,0,0]=2 10067 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [0,1,0,0,0,1|0,0,0]=2 10068 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [0,1,0,0,0,1|0,0,0]=2 10069 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [0,1,0,0,0,1|0,0,0]=2 10070 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [0,1,0,0,0,1|0,0,0]=2 10071 B13R1.513 CC(O)CCOc1ccc(cn1)Cl 34a_100011215309_100012276601 [0,1,0,0,0,1|1,0,0]=3 10072 B13R1.513 CC(O)CCOc1ccc(cn1)F 34a_100000742473_100012276601 [0,1,0,0,0,1|1,0,0]=3 10073 B13R1.513 CC(O)CCOc1ccc(cn1)N 34a_100000729260_100012276601 [0,1,0,0,0,1|1,0,0]=3 10074 B13R1.513 CC(O)CCOc1ccc(nc1)Br 34a_100000685995_100012276601 [0,1,0,0,0,1|1,0,0]=3 10075 B13R1.513 CC(O)CCOc1ccc(nc1)Br 7a_100000685995_100012276601 [0,1,0,0,0,1|1,0,0]=3 10076 B13R1.513 CC(O)CCOc1ccc(nc1)Cl 34a_100000744096_100012276601 [0,1,0,0,0,1|1,0,0]=3 10077 B13R1.513 CC(O)CCOc1ccc(nc1)Cl 7a_100000744096_100012276601 [0,1,0,0,0,1|1,0,0]=3 10078 B13R1.513 CC(O)CCOc1ccc(nc1)F 34a_100000688820_100012276601 [0,1,0,0,0,1|1,0,0]=3 10079 B13R1.513 CC(O)CCOc1ccc(nc1)F 7a_100000688820_100012276601 [0,1,0,0,0,1|1,0,0]=3 10080 B13R1.513 CC(O)CCOc1ccc(nc1)I 34a_100000687607_100012276601 [0,1,0,0,0,1|1,0,0]=3 10081 B13R1.513 CC(O)CCOc1ccc(nc1)I 7a_100000687607_100012276601 [0,1,0,0,0,1|1,0,0]=3 10082 B13R1.513 CC(O)CCOc1ccc(nc1)N 34a_100015188713_100012276601 [0,1,0,0,0,1|1,0,0]=3 10083 B13R1.513 CC(O)CCOc1ccc(nc1)N 7a_100015188713_100012276601 [0,1,0,0,0,1|1,0,0]=3 10084 B13R1.513 CC(O)CCOc1cnc(cn1)Br 34a_100011934580_100012276601 [0,1,0,0,0,1|2,0,0]=4 10085 B13R1.513 CC(O)CCOc1cnc(cn1)Cl 34a_100015839800_100012276601 [0,1,0,0,0,1|2,0,0]=4 10086 B13R1.513 CC(O)CCOc1cnc(nc1)Br 34a_100000730009_100012276601 [0,1,0,0,0,1|2,0,0]=4 10087 B13R1.513 CC(O)CCOc1cnc(nc1)Br 7a_100000730009_100012276601 [0,1,0,0,0,1|2,0,0]=4 10088 B13R1.513 CC(O)CCOc1cnc(nc1)Cl 34a_100000092845_100012276601 [0,1,0,0,0,1|2,0,0]=4 10089 B13R1.513 CC(O)CCOc1cnc(nc1)Cl 7a_100000092845_100012276601 [0,1,0,0,0,1|2,0,0]=4 10090 B13R1.513 CC(O)CCOc1cnc(nc1)F 34a_200009874573_100012276601 [0,1,0,0,0,1|2,0,0]=4 10091 B13R1.513 CC(O)CCOc1cnc(nc1)F 7a_200009874573_100012276601 [0,1,0,0,0,1|2,0,0]=4 10092 B13R1.513 CC(O)CCOc1cnc(nc1)N 34a_100000087137_100012276601 [0,1,0,0,0,1|2,0,0]=4 10093 B13R1.513 CC(O)CCOc1cnc(nc1)N 7a_100000087137_100012276601 [0,1,0,0,0,1|2,0,0]=4 10094 B13R1.513 CC(O)CCOc1ncc(cn1)F 34a_100011934040_100012276601 [0,1,0,0,0,1|2,0,0]=4 10095 B13R1.513 CC(O)CCSc1cc[n+](cc1)[O-] 62a_100012276601_100000039755 [0,1,0,0,0,1|1,0,0]=3 10096 B13R1.513 CC(O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100012276601 [0,1,0,0,0,1|1,0,0]=3 10097 B13R1.513 CC(O)CCSc1ccc(=O)[nH]c1 62a_100012276601_100000212171 [0,1,0,0,0,1|1,0,0]=3 10098 B13R1.513 CC(O)CCSc1ccc(=O)[nH]n1 62a_100009820020_100012276601 [0,1,0,0,0,1|2,0,0]=4 10099 B13R1.513 CC(O)CCSc1ccc(=O)[nH]n1 62a_100012276601_100009820020 [0,1,0,0,0,1|2,0,0]=4 10100 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100000752885_100012276601 [0,1,0,0,0,1|0,0,0]=2 10101 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100012276601_100000752885 [0,1,0,0,0,1|0,0,0]=2 10102 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100000755918_100012276601 [0,1,0,0,0,1|0,0,0]=2 10103 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100012276601_100000755918 [0,1,0,0,0,1|0,0,0]=2 10104 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100000211213_100012276601 [0,1,0,0,0,1|0,0,0]=2 10105 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100012276601_100000211213 [0,1,0,0,0,1|0,0,0]=2 10106 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100000185761_100012276601 [0,1,0,0,0,1|0,0,0]=2 10107 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100012276601_100000185761 [0,1,0,0,0,1|0,0,0]=2 10108 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [0,1,0,0,0,1|0,0,0]=2 10109 B13R1.513 CC(O)CCSc1ccc(cn1)Br 62a_100000686858_100012276601 [0,1,0,0,0,1|1,0,0]=3 10110 B13R1.513 CC(O)CCSc1ccc(cn1)Br 62a_100012276601_100000686858 [0,1,0,0,0,1|1,0,0]=3 10111 B13R1.513 CC(O)CCSc1ccc(cn1)Cl 62a_100011356976_100012276601 [0,1,0,0,0,1|1,0,0]=3 10112 B13R1.513 CC(O)CCSc1ccc(cn1)Cl 62a_100012276601_100011356976 [0,1,0,0,0,1|1,0,0]=3 10113 B13R1.513 CC(O)CCSc1ccc(cn1)F 62a_100000744514_100012276601 [0,1,0,0,0,1|1,0,0]=3 10114 B13R1.513 CC(O)CCSc1ccc(cn1)F 62a_100012276601_100000744514 [0,1,0,0,0,1|1,0,0]=3 10115 B13R1.513 CC(O)CCSc1ccc(cn1)N 62a_100000737798_100012276601 [0,1,0,0,0,1|1,0,0]=3 10116 B13R1.513 CC(O)CCSc1ccc(cn1)N 62a_100012276601_100000737798 [0,1,0,0,0,1|1,0,0]=3 10117 B13R1.513 CC(O)CCSc1ccc(cn1)O 62a_100000685995_100012276601 [0,1,0,0,0,1|1,0,0]=3 10118 B13R1.513 CC(O)CCSc1ccc(cn1)O 62a_100012276601_100000744096 [0,1,0,0,0,1|1,0,0]=3 10119 B13R1.513 CC(O)CCSc1ccc(nc1)Br 62a_100009814638_100012276601 [0,1,0,0,0,1|1,0,0]=3 10120 B13R1.513 CC(O)CCSc1ccc(nc1)Br 62a_100012276601_100009814638 [0,1,0,0,0,1|1,0,0]=3 10121 B13R1.513 CC(O)CCSc1ccc(nc1)Cl 62a_100000034144_100012276601 [0,1,0,0,0,1|1,0,0]=3 10122 B13R1.513 CC(O)CCSc1ccc(nc1)Cl 62a_100012276601_100000034144 [0,1,0,0,0,1|1,0,0]=3 10123 B13R1.513 CC(O)CCSc1ccc(nc1)F 62a_100000042367_100012276601 [0,1,0,0,0,1|1,0,0]=3 10124 B13R1.513 CC(O)CCSc1ccc(nc1)F 62a_100012276601_100000042367 [0,1,0,0,0,1|1,0,0]=3 10125 B13R1.513 CC(O)CCSc1ccc(nc1)N 62a_100000187370_100012276601 [0,1,0,0,0,1|1,0,0]=3 10126 B13R1.513 CC(O)CCSc1ccc(nc1)N 62a_100012276601_100000187370 [0,1,0,0,0,1|1,0,0]=3 10127 B13R1.513 CC(O)CCSc1ccc(nn1)Cl 62a_100000068654_100012276601 [0,1,0,0,0,1|2,0,0]=4 10128 B13R1.513 CC(O)CCSc1ccc(nn1)Cl 62a_100012276601_100000068654 [0,1,0,0,0,1|2,0,0]=4 10129 B13R1.513 CC(O)CCSc1ccc(nn1)N 62a_100010219413_100012276601 [0,1,0,0,0,1|2,0,0]=4 10130 B13R1.513 CC(O)CCSc1ccc(nn1)N 62a_100012276601_100010219413 [0,1,0,0,0,1|2,0,0]=4 10131 B13R1.513 CC(O)CCSc1cnc(=O)[nH]c1 62a_100012276601_102495366499 [0,1,0,0,0,1|2,0,0]=4 10132 B13R1.513 CC(O)CCSc1cnc(=O)[nH]c1 62a_102495366499_100012276601 [0,1,0,0,0,1|2,0,0]=4 10133 B13R1.513 CC(O)CCSc1cnc(cn1)Br 62a_100010187541_100012276601 [0,1,0,0,0,1|2,0,0]=4 10134 B13R1.513 CC(O)CCSc1cnc(cn1)Br 62a_100012276601_100010187541 [0,1,0,0,0,1|2,0,0]=4 10135 B13R1.513 CC(O)CCSc1cnc(cn1)Cl 62a_100010214907_100012276601 [0,1,0,0,0,1|2,0,0]=4 10136 B13R1.513 CC(O)CCSc1cnc(cn1)Cl 62a_100012276601_100010214907 [0,1,0,0,0,1|2,0,0]=4 10137 B13R1.513 CC(O)CCSc1cnc(cn1)F 62a_100009856528_100012276601 [0,1,0,0,0,1|2,0,0]=4 10138 B13R1.513 CC(O)CCSc1cnc(cn1)F 62a_100012276601_100009856528 [0,1,0,0,0,1|2,0,0]=4 10139 B13R1.513 CC(O)CCSc1cnc(cn1)N 62a_100000744751_100012276601 [0,1,0,0,0,1|2,0,0]=4 10140 B13R1.513 CC(O)CCSc1cnc(cn1)N 62a_100012276601_100000744751 [0,1,0,0,0,1|2,0,0]=4 10141 B13R1.513 CC(O)CCSc1cnc(cn1)O 62a_100011934580_100012276601 [0,1,0,0,0,1|2,0,0]=4 10142 B13R1.513 CC(O)CCSc1cnc(cn1)O 62a_100012276601_100015839800 [0,1,0,0,0,1|2,0,0]=4 10143 B13R1.513 CC(O)CCSc1cnc(nc1)Br 62a_100012276601_200012349914 [0,1,0,0,0,1|2,0,0]=4 10144 B13R1.513 CC(O)CCSc1cnc(nc1)Br 62a_200012349914_100012276601 [0,1,0,0,0,1|2,0,0]=4 10145 B13R1.513 CC(O)CCSc1cnc(nc1)Cl 62a_100000059775_100012276601 [0,1,0,0,0,1|2,0,0]=4 10146 B13R1.513 CC(O)CCSc1cnc(nc1)Cl 62a_100012276601_100000059775 [0,1,0,0,0,1|2,0,0]=4 10147 B13R1.513 CC(O)CCSc1cnc(nc1)F 62a_100000685262_100012276601 [0,1,0,0,0,1|2,0,0]=4 10148 B13R1.513 CC(O)CCSc1cnc(nc1)F 62a_100012276601_100000685262 [0,1,0,0,0,1|2,0,0]=4 10149 B13R1.513 CC(O)CCSc1cnc(nc1)N 62a_100000766020_100012276601 [0,1,0,0,0,1|2,0,0]=4 10150 B13R1.513 CC(O)CCSc1cnc(nc1)N 62a_100012276601_100000766020 [0,1,0,0,0,1|2,0,0]=4 10151 B13R1.513 CC(O)CCSc1ncc(cn1)Br 62a_100000690281_100012276601 [0,1,0,0,0,1|2,0,0]=4 10152 B13R1.513 CC(O)CCSc1ncc(cn1)Br 62a_100012276601_100000690281 [0,1,0,0,0,1|2,0,0]=4 10153 B13R1.513 CC(O)CCSc1ncc(cn1)Cl 62a_100011356929_100012276601 [0,1,0,0,0,1|2,0,0]=4 10154 B13R1.513 CC(O)CCSc1ncc(cn1)Cl 62a_100012276601_100011356929 [0,1,0,0,0,1|2,0,0]=4 10155 B13R1.513 CC(O)CCSc1ncc(cn1)F 62a_100000685220_100012276601 [0,1,0,0,0,1|2,0,0]=4 10156 B13R1.513 CC(O)CCSc1ncc(cn1)F 62a_100012276601_100000685220 [0,1,0,0,0,1|2,0,0]=4 10157 B13R1.513 CC(O)CCSc1ncc(cn1)N 62a_100000068403_100012276601 [0,1,0,0,0,1|2,0,0]=4 10158 B13R1.513 CC(O)CCSc1ncc(cn1)N 62a_100012276601_100000068403 [0,1,0,0,0,1|2,0,0]=4 10159 B13R1.513 CC(O)CCSc1ncc(cn1)O 62a_100000730009_100012276601 [0,1,0,0,0,1|2,0,0]=4 10160 B13R1.513 CC(O)CCSc1ncc(cn1)O 62a_100012276601_100000092845 [0,1,0,0,0,1|2,0,0]=4 10161 B13R1.513 CC(O)CNCc1ccc(=O)[nH]n1 207a_100000210904_100011361533 [0,1,0,0,0,1|2,0,0]=4 10162 B13R1.513 CC(O)CNCc1ccc(=O)[nH]n1 270004a_100000210904_100011361533 [0,1,0,0,0,1|2,0,0]=4 10163 B13R1.513 CC(O)CNCc1ccc(cc1)Br 207a_100000210904_100000186029 [0,1,0,0,0,1|0,0,0]=2 10164 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011218427 [0,1,0,0,0,1|0,0,0]=2 10165 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000210904_100011217064 [0,1,0,0,0,1|0,0,0]=2 10166 B13R1.513 CC(O)CNCc1ccc(cc1)Br 270004a_100000210904_100000186029 [0,1,0,0,0,1|0,0,0]=2 10167 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011218427 [0,1,0,0,0,1|0,0,0]=2 10168 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,1,0,0,0,1|0,0,0]=2 10169 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 207a_100000210904_100000189385 [0,1,0,0,0,1|0,0,0]=2 10170 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218427 [0,1,0,0,0,1|0,0,0]=2 10171 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000210904_100000694040 [0,1,0,0,0,1|0,0,0]=2 10172 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 270004a_100000210904_100000189385 [0,1,0,0,0,1|0,0,0]=2 10173 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218427 [0,1,0,0,0,1|0,0,0]=2 10174 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,1,0,0,0,1|0,0,0]=2 10175 B13R1.513 CC(O)CNCc1ccc(cc1)F 207a_100000210904_100000210084 [0,1,0,0,0,1|0,0,0]=2 10176 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011218427 [0,1,0,0,0,1|0,0,0]=2 10177 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000210904_100000198546 [0,1,0,0,0,1|0,0,0]=2 10178 B13R1.513 CC(O)CNCc1ccc(cc1)F 270004a_100000210904_100000210084 [0,1,0,0,0,1|0,0,0]=2 10179 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000174882_100011218427 [0,1,0,0,0,1|0,0,0]=2 10180 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000210904_100000198546 [0,1,0,0,0,1|0,0,0]=2 10181 B13R1.513 CC(O)CNCc1ccc(cc1)I 207a_100000210904_100000188517 [0,1,0,0,0,1|0,0,0]=2 10182 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100000210904_100000189116 [0,1,0,0,0,1|0,0,0]=2 10183 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218427 [0,1,0,0,0,1|0,0,0]=2 10184 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100000210904_100000189116 [0,1,0,0,0,1|0,0,0]=2 10185 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218427 [0,1,0,0,0,1|0,0,0]=2 10186 B13R1.513 CC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218427 [0,1,0,0,0,1|0,0,0]=2 10187 B13R1.513 CC(O)CNCc1ccc(cn1)Br 207a_100000210904_100000754260 [0,1,0,0,0,1|1,0,0]=3 10188 B13R1.513 CC(O)CNCc1ccc(cn1)Br 2230a_100000210904_100000702658 [0,1,0,0,0,1|1,0,0]=3 10189 B13R1.513 CC(O)CNCc1ccc(cn1)Br 270004a_100000210904_100000754260 [0,1,0,0,0,1|1,0,0]=3 10190 B13R1.513 CC(O)CNCc1ccc(cn1)Br 34a_100000210904_100000702658 [0,1,0,0,0,1|1,0,0]=3 10191 B13R1.513 CC(O)CNCc1ccc(cn1)Br 34a_100015188789_100011218427 [0,1,0,0,0,1|1,0,0]=3 10192 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 207a_100000210904_100011361569 [0,1,0,0,0,1|1,0,0]=3 10193 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 2230a_100000210904_100012066911 [0,1,0,0,0,1|1,0,0]=3 10194 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 270004a_100000210904_100011361569 [0,1,0,0,0,1|1,0,0]=3 10195 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 34a_100000210904_100012066911 [0,1,0,0,0,1|1,0,0]=3 10196 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 34a_100000697193_100011218427 [0,1,0,0,0,1|1,0,0]=3 10197 B13R1.513 CC(O)CNCc1ccc(cn1)F 207a_100000210904_100011934744 [0,1,0,0,0,1|1,0,0]=3 10198 B13R1.513 CC(O)CNCc1ccc(cn1)F 2230a_100000210904_100000703193 [0,1,0,0,0,1|1,0,0]=3 10199 B13R1.513 CC(O)CNCc1ccc(cn1)F 270004a_100000210904_100011934744 [0,1,0,0,0,1|1,0,0]=3 10200 B13R1.513 CC(O)CNCc1ccc(cn1)F 34a_100000210904_100000703193 [0,1,0,0,0,1|1,0,0]=3 10201 B13R1.513 CC(O)CNCc1ccc(cn1)F 34a_100020620131_100011218427 [0,1,0,0,0,1|1,0,0]=3 10202 B13R1.513 CC(O)CNCc1ccc(nc1)Br 2230a_100000210904_100009831999 [0,1,0,0,0,1|1,0,0]=3 10203 B13R1.513 CC(O)CNCc1ccc(nc1)Br 2230a_100009817727_100011218427 [0,1,0,0,0,1|1,0,0]=3 10204 B13R1.513 CC(O)CNCc1ccc(nc1)Br 34a_100000210904_100009831999 [0,1,0,0,0,1|1,0,0]=3 10205 B13R1.513 CC(O)CNCc1ccc(nc1)Br 34a_100009817727_100011218427 [0,1,0,0,0,1|1,0,0]=3 10206 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 2230a_100000210904_100000735431 [0,1,0,0,0,1|1,0,0]=3 10207 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 2230a_100000735879_100011218427 [0,1,0,0,0,1|1,0,0]=3 10208 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 34a_100000210904_100000735431 [0,1,0,0,0,1|1,0,0]=3 10209 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 34a_100000735879_100011218427 [0,1,0,0,0,1|1,0,0]=3 10210 B13R1.513 CC(O)CNCc1ccc(nc1)F 2230a_100000101913_100011218427 [0,1,0,0,0,1|1,0,0]=3 10211 B13R1.513 CC(O)CNCc1ccc(nc1)F 2230a_100000210904_100009820150 [0,1,0,0,0,1|1,0,0]=3 10212 B13R1.513 CC(O)CNCc1ccc(nc1)F 34a_100000101913_100011218427 [0,1,0,0,0,1|1,0,0]=3 10213 B13R1.513 CC(O)CNCc1ccc(nc1)F 34a_100000210904_100000099788 [0,1,0,0,0,1|1,0,0]=3 10214 B13R1.513 CC(O)CNCc1ccc(nc1)O 207a_100000210904_100011361521 [0,1,0,0,0,1|1,0,0]=3 10215 B13R1.513 CC(O)CNCc1ccc(nc1)O 2230a_100000757128_100011218427 [0,1,0,0,0,1|1,0,0]=3 10216 B13R1.513 CC(O)CNCc1ccc(nn1)Cl 2230a_100000210904_100016992710 [0,1,0,0,0,1|2,0,0]=4 10217 B13R1.513 CC(O)CNCc1ccc(nn1)Cl 270004a_100000210904_100000044651 [0,1,0,0,0,1|2,0,0]=4 10218 B13R1.513 CC(O)CNCc1ccc(nn1)Cl 34a_100000210904_100016992710 [0,1,0,0,0,1|2,0,0]=4 10219 B13R1.513 CC(O)CNCc1cnc(cn1)Cl 270004a_100000210904_100012001714 [0,1,0,0,0,1|2,0,0]=4 10220 B13R1.513 CC(O)CNCc1ncc(cn1)Br 34a_100000210904_100010064664 [0,1,0,0,0,1|2,0,0]=4 10221 B13R1.513 CC(O)COCc1cc[n+](cc1)C 34a_100009831711_100011218427 [0,1,0,0,0,1|1,0,0]=3 10222 B13R1.513 CC(O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100011218427 [0,1,0,0,0,1|1,0,0]=3 10223 B13R1.513 CC(O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100011218427 [0,1,0,0,0,1|1,0,0]=3 10224 B13R1.513 CC(O)COCc1ccc(=O)[nH]c1 34a_100011999846_100011218427 [0,1,0,0,0,1|1,0,0]=3 10225 B13R1.513 CC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218427 [0,1,0,0,0,1|0,0,0]=2 10226 B13R1.513 CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218427 [0,1,0,0,0,1|0,0,0]=2 10227 B13R1.513 CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218427 [0,1,0,0,0,1|0,0,0]=2 10228 B13R1.513 CC(O)COCc1ccc(cc1)F 34a_100000210977_100011218427 [0,1,0,0,0,1|0,0,0]=2 10229 B13R1.513 CC(O)COCc1ccc(cc1)F 7a_100000210977_100011218427 [0,1,0,0,0,1|0,0,0]=2 10230 B13R1.513 CC(O)COCc1ccc(cc1)I 34a_100000690907_100011218427 [0,1,0,0,0,1|0,0,0]=2 10231 B13R1.513 CC(O)COCc1ccc(cc1)I 7a_100000690907_100011218427 [0,1,0,0,0,1|0,0,0]=2 10232 B13R1.513 CC(O)COCc1ccc(cc1)N 34a_100011215238_100011218427 [0,1,0,0,0,1|0,0,0]=2 10233 B13R1.513 CC(O)COCc1ccc(cn1)Br 34a_100000754261_100011218427 [0,1,0,0,0,1|1,0,0]=3 10234 B13R1.513 CC(O)COCc1ccc(cn1)Cl 34a_100000703999_100011218427 [0,1,0,0,0,1|1,0,0]=3 10235 B13R1.513 CC(O)COCc1ccc(cn1)F 34a_100011999454_100011218427 [0,1,0,0,0,1|1,0,0]=3 10236 B13R1.513 CC(O)COCc1ccc(cn1)N 34a_100011998161_100011218427 [0,1,0,0,0,1|1,0,0]=3 10237 B13R1.513 CC(O)COCc1ccc(nc1)Br 34a_100009816760_100011218427 [0,1,0,0,0,1|1,0,0]=3 10238 B13R1.513 CC(O)COCc1ccc(nc1)Br 7a_100009816760_100011218427 [0,1,0,0,0,1|1,0,0]=3 10239 B13R1.513 CC(O)COCc1ccc(nc1)Cl 34a_100000755211_100011218427 [0,1,0,0,0,1|1,0,0]=3 10240 B13R1.513 CC(O)COCc1ccc(nc1)Cl 7a_100000755211_100011218427 [0,1,0,0,0,1|1,0,0]=3 10241 B13R1.513 CC(O)COCc1ccc(nc1)F 34a_100000079959_100011218427 [0,1,0,0,0,1|1,0,0]=3 10242 B13R1.513 CC(O)COCc1ccc(nc1)N 34a_100000704267_100011218427 [0,1,0,0,0,1|1,0,0]=3 10243 B13R1.513 CC(O)COCc1cnc(cn1)Cl 34a_100012002382_100011218427 [0,1,0,0,0,1|2,0,0]=4 10244 B13R1.513 CC(O)COCc1cnc(nc1)Cl 34a_100009855073_100011218427 [0,1,0,0,0,1|2,0,0]=4 10245 B13R1.513 CC(O)COCc1cnc(nc1)Cl 7a_100009855073_100011218427 [0,1,0,0,0,1|2,0,0]=4 10246 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011218427 [0,1,0,0,0,1|0,0,0]=2 10247 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100011218427_100000189115 [0,1,0,0,0,1|0,0,0]=2 10248 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218427 [0,1,0,0,0,1|0,0,0]=2 10249 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100011218427_100000187161 [0,1,0,0,0,1|0,0,0]=2 10250 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100000198546_100011218427 [0,1,0,0,0,1|0,0,0]=2 10251 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100011218427_100000187164 [0,1,0,0,0,1|0,0,0]=2 10252 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218427 [0,1,0,0,0,1|0,0,0]=2 10253 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100011218427_100000189116 [0,1,0,0,0,1|0,0,0]=2 10254 B13R1.513 CC(O)CSCc1ccc(cn1)Br 62a_100000702658_100011218427 [0,1,0,0,0,1|1,0,0]=3 10255 B13R1.513 CC(O)CSCc1ccc(cn1)Br 62a_100011218427_100000702658 [0,1,0,0,0,1|1,0,0]=3 10256 B13R1.513 CC(O)CSCc1ccc(cn1)Cl 62a_100011218427_100000697101 [0,1,0,0,0,1|1,0,0]=3 10257 B13R1.513 CC(O)CSCc1ccc(cn1)Cl 62a_100012066911_100011218427 [0,1,0,0,0,1|1,0,0]=3 10258 B13R1.513 CC(O)CSCc1ccc(cn1)F 62a_100000703193_100011218427 [0,1,0,0,0,1|1,0,0]=3 10259 B13R1.513 CC(O)CSCc1ccc(cn1)F 62a_100011218427_100000703193 [0,1,0,0,0,1|1,0,0]=3 10260 B13R1.513 CC(O)CSCc1ccc(nc1)Br 62a_100009831999_100011218427 [0,1,0,0,0,1|1,0,0]=3 10261 B13R1.513 CC(O)CSCc1ccc(nc1)Br 62a_100011218427_100009831999 [0,1,0,0,0,1|1,0,0]=3 10262 B13R1.513 CC(O)CSCc1ccc(nc1)Cl 62a_100000735431_100011218427 [0,1,0,0,0,1|1,0,0]=3 10263 B13R1.513 CC(O)CSCc1ccc(nc1)Cl 62a_100011218427_100000735431 [0,1,0,0,0,1|1,0,0]=3 10264 B13R1.513 CC(O)CSCc1ccc(nc1)F 62a_100009820150_100011218427 [0,1,0,0,0,1|1,0,0]=3 10265 B13R1.513 CC(O)CSCc1ccc(nc1)F 62a_100011218427_100000099788 [0,1,0,0,0,1|1,0,0]=3 10266 B13R1.513 CC(O)CSCc1ccc(nn1)Cl 62a_100011218427_100016992710 [0,1,0,0,0,1|2,0,0]=4 10267 B13R1.513 CC(O)CSCc1ccc(nn1)Cl 62a_100016992710_100011218427 [0,1,0,0,0,1|2,0,0]=4 10268 B13R1.513 CC(O)CSCc1ncc(cn1)Br 62a_100010064664_100011218427 [0,1,0,0,0,1|2,0,0]=4 10269 B13R1.513 CC(O)CSCc1ncc(cn1)Br 62a_100011218427_100010064664 [0,1,0,0,0,1|2,0,0]=4 10270 B13R1.513 CN(C)CCCc1ccc(cc1)Br 2230a_100102631434_100011713682 [0,1,0,0,0,1|2,0,0]=4 10271 B13R1.513 CN(C)CCCc1ccc(cc1)Br 269982a_100102631434_100011713682 [0,1,0,0,0,1|2,0,0]=4 10272 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 2230a_100102631434_100000759440 [0,1,0,0,0,1|2,0,0]=4 10273 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 269982a_100102631434_100000759440 [0,1,0,0,0,1|2,0,0]=4 10274 B13R1.513 CN(C)CCCc1ccc(cc1)F 2230a_100102631434_200011713563 [0,1,0,0,0,1|2,0,0]=4 10275 B13R1.513 CN(C)CCCc1ccc(cc1)F 269982a_100102631434_200011713563 [0,1,0,0,0,1|2,0,0]=4 10276 B13R1.513 CN(C)CCOc1ccc(cc1)Br 2230a_100102631434_100000183278 [0,1,0,0,0,1|2,0,0]=4 10277 B13R1.513 CN(C)CCOc1ccc(cc1)Br 269982a_100102631434_100000183278 [0,1,0,0,0,1|2,0,0]=4 10278 B13R1.513 CN(C)CCOc1ccc(cc1)Br 7a_100000185759_100000755713 [0,1,0,0,0,1|2,0,0]=4 10279 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 2230a_100102631434_100000184122 [0,1,0,0,0,1|2,0,0]=4 10280 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 269982a_100102631434_100000184122 [0,1,0,0,0,1|2,0,0]=4 10281 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000755713 [0,1,0,0,0,1|2,0,0]=4 10282 B13R1.513 CN(C)CCOc1ccc(cc1)F 2230a_100102631434_100000184936 [0,1,0,0,0,1|2,0,0]=4 10283 B13R1.513 CN(C)CCOc1ccc(cc1)F 269982a_100102631434_100000184936 [0,1,0,0,0,1|2,0,0]=4 10284 B13R1.513 CN(C)CCOc1ccc(cc1)I 7a_100000212066_100000755713 [0,1,0,0,0,1|2,0,0]=4 10285 B13R1.513 CN(C)CCOc1ccc(cc1)O 271570a_203496583355_100000174716 [0,1,0,0,0,1|2,0,0]=4 10286 B13R1.513 CN(C)CCSc1ccc(cc1)Br 62a_100000752885_100000755713 [0,1,0,0,0,1|2,0,0]=4 10287 B13R1.513 CN(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000755713 [0,1,0,0,0,1|2,0,0]=4 10288 B13R1.513 CN(C)CCSc1ccc(cc1)F 62a_100000211213_100000755713 [0,1,0,0,0,1|2,0,0]=4 10289 B13R1.513 CN(C)CCSc1ccc(cc1)N 62a_100000185761_100000755713 [0,1,0,0,0,1|2,0,0]=4 10290 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Br 34a_100016084084_100000189115 [0,1,0,0,0,1|1,0,0]=3 10291 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Cl 34a_100016084084_100000694040 [0,1,0,0,0,1|1,0,0]=3 10292 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)F 34a_100016084084_100000198546 [0,1,0,0,0,1|1,0,0]=3 10293 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)I 34a_100016084084_100000189116 [0,1,0,0,0,1|1,0,0]=3 10294 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)Br 34a_100016084084_100000702658 [0,1,0,0,0,1|2,0,0]=4 10295 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)Cl 34a_100016084084_100012066911 [0,1,0,0,0,1|2,0,0]=4 10296 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)F 34a_100016084084_100000703193 [0,1,0,0,0,1|2,0,0]=4 10297 B13R1.513 C[C@@H](Cl)COCc1ccc(nc1)Br 34a_100016084084_100009831999 [0,1,0,0,0,1|2,0,0]=4 10298 B13R1.513 C[C@@H](Cl)COCc1ccc(nc1)Cl 34a_100016084084_100000735431 [0,1,0,0,0,1|2,0,0]=4 10299 B13R1.513 C[C@@H](Cl)COCc1ccc(nc1)F 34a_100016084084_100000099788 [0,1,0,0,0,1|2,0,0]=4 10300 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Br 34a_100000737577_100000189115 [0,1,0,0,0,1|1,0,0]=3 10301 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Cl 34a_100000737577_100000694040 [0,1,0,0,0,1|1,0,0]=3 10302 B13R1.513 C[C@@H](N)COCc1ccc(cc1)F 34a_100000737577_100000198546 [0,1,0,0,0,1|1,0,0]=3 10303 B13R1.513 C[C@@H](N)COCc1ccc(cc1)I 34a_100000737577_100000189116 [0,1,0,0,0,1|1,0,0]=3 10304 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Br 34a_100000737577_100000702658 [0,1,0,0,0,1|2,0,0]=4 10305 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Cl 34a_100000737577_100012066911 [0,1,0,0,0,1|2,0,0]=4 10306 B13R1.513 C[C@@H](N)COCc1ccc(cn1)F 34a_100000737577_100000703193 [0,1,0,0,0,1|2,0,0]=4 10307 B13R1.513 C[C@@H](N)COCc1ccc(nc1)Br 34a_100000737577_100009831999 [0,1,0,0,0,1|2,0,0]=4 10308 B13R1.513 C[C@@H](N)COCc1ccc(nc1)Cl 34a_100000737577_100000735431 [0,1,0,0,0,1|2,0,0]=4 10309 B13R1.513 C[C@@H](N)COCc1ccc(nc1)F 34a_100000737577_100000099788 [0,1,0,0,0,1|2,0,0]=4 10310 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 2230a_100000174875_100009817552 [0,1,0,0,0,1|0,0,0]=2 10311 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 34a_100000174875_100009817552 [0,1,0,0,0,1|0,0,0]=2 10312 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009817552 [0,1,0,0,0,1|0,0,0]=2 10313 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009817552 [0,1,0,0,0,1|0,0,0]=2 10314 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 2230a_100000174882_100009817552 [0,1,0,0,0,1|0,0,0]=2 10315 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 34a_100000174882_100009817552 [0,1,0,0,0,1|0,0,0]=2 10316 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009817552 [0,1,0,0,0,1|0,0,0]=2 10317 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009817552 [0,1,0,0,0,1|0,0,0]=2 10318 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009817552 [0,1,0,0,0,1|0,0,0]=2 10319 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Br 34a_100015188789_100009817552 [0,1,0,0,0,1|1,0,0]=3 10320 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Cl 34a_100000697193_100009817552 [0,1,0,0,0,1|1,0,0]=3 10321 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)F 34a_100020620131_100009817552 [0,1,0,0,0,1|1,0,0]=3 10322 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Br 2230a_100009817727_100009817552 [0,1,0,0,0,1|1,0,0]=3 10323 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Br 34a_100009817727_100009817552 [0,1,0,0,0,1|1,0,0]=3 10324 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Cl 2230a_100000735879_100009817552 [0,1,0,0,0,1|1,0,0]=3 10325 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Cl 34a_100000735879_100009817552 [0,1,0,0,0,1|1,0,0]=3 10326 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)F 2230a_100000101913_100009817552 [0,1,0,0,0,1|1,0,0]=3 10327 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)F 34a_100000101913_100009817552 [0,1,0,0,0,1|1,0,0]=3 10328 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)O 2230a_100000757128_100009817552 [0,1,0,0,0,1|1,0,0]=3 10329 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)C 34a_100009831711_100009817552 [0,1,0,0,0,1|1,0,0]=3 10330 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100009817552 [0,1,0,0,0,1|1,0,0]=3 10331 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100009817552 [0,1,0,0,0,1|1,0,0]=3 10332 B13R1.513 C[C@@H](O)COCc1ccc(=O)[nH]c1 34a_100011999846_100009817552 [0,1,0,0,0,1|1,0,0]=3 10333 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009817552 [0,1,0,0,0,1|0,0,0]=2 10334 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009817552 [0,1,0,0,0,1|0,0,0]=2 10335 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009817552 [0,1,0,0,0,1|0,0,0]=2 10336 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 34a_100000210977_100009817552 [0,1,0,0,0,1|0,0,0]=2 10337 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 7a_100000210977_100009817552 [0,1,0,0,0,1|0,0,0]=2 10338 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 34a_100000690907_100009817552 [0,1,0,0,0,1|0,0,0]=2 10339 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 7a_100000690907_100009817552 [0,1,0,0,0,1|0,0,0]=2 10340 B13R1.513 C[C@@H](O)COCc1ccc(cc1)N 34a_100011215238_100009817552 [0,1,0,0,0,1|0,0,0]=2 10341 B13R1.513 C[C@@H](O)COCc1ccc(cn1)Br 34a_100000754261_100009817552 [0,1,0,0,0,1|1,0,0]=3 10342 B13R1.513 C[C@@H](O)COCc1ccc(cn1)Cl 34a_100000703999_100009817552 [0,1,0,0,0,1|1,0,0]=3 10343 B13R1.513 C[C@@H](O)COCc1ccc(cn1)F 34a_100011999454_100009817552 [0,1,0,0,0,1|1,0,0]=3 10344 B13R1.513 C[C@@H](O)COCc1ccc(cn1)N 34a_100011998161_100009817552 [0,1,0,0,0,1|1,0,0]=3 10345 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Br 34a_100009816760_100009817552 [0,1,0,0,0,1|1,0,0]=3 10346 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Br 7a_100009816760_100009817552 [0,1,0,0,0,1|1,0,0]=3 10347 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Cl 34a_100000755211_100009817552 [0,1,0,0,0,1|1,0,0]=3 10348 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Cl 7a_100000755211_100009817552 [0,1,0,0,0,1|1,0,0]=3 10349 B13R1.513 C[C@@H](O)COCc1ccc(nc1)F 34a_100000079959_100009817552 [0,1,0,0,0,1|1,0,0]=3 10350 B13R1.513 C[C@@H](O)COCc1ccc(nc1)N 34a_100000704267_100009817552 [0,1,0,0,0,1|1,0,0]=3 10351 B13R1.513 C[C@@H](O)COCc1cnc(cn1)Cl 34a_100012002382_100009817552 [0,1,0,0,0,1|2,0,0]=4 10352 B13R1.513 C[C@@H](O)COCc1cnc(nc1)Cl 34a_100009855073_100009817552 [0,1,0,0,0,1|2,0,0]=4 10353 B13R1.513 C[C@@H](O)COCc1cnc(nc1)Cl 7a_100009855073_100009817552 [0,1,0,0,0,1|2,0,0]=4 10354 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009817552 [0,1,0,0,0,1|0,0,0]=2 10355 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100009817552_100000189115 [0,1,0,0,0,1|0,0,0]=2 10356 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009817552 [0,1,0,0,0,1|0,0,0]=2 10357 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100009817552_100000187161 [0,1,0,0,0,1|0,0,0]=2 10358 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009817552 [0,1,0,0,0,1|0,0,0]=2 10359 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100009817552_100000187164 [0,1,0,0,0,1|0,0,0]=2 10360 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009817552 [0,1,0,0,0,1|0,0,0]=2 10361 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100009817552_100000189116 [0,1,0,0,0,1|0,0,0]=2 10362 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Br 62a_100000702658_100009817552 [0,1,0,0,0,1|1,0,0]=3 10363 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Br 62a_100009817552_100000702658 [0,1,0,0,0,1|1,0,0]=3 10364 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Cl 62a_100009817552_100000697101 [0,1,0,0,0,1|1,0,0]=3 10365 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Cl 62a_100012066911_100009817552 [0,1,0,0,0,1|1,0,0]=3 10366 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)F 62a_100000703193_100009817552 [0,1,0,0,0,1|1,0,0]=3 10367 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)F 62a_100009817552_100000703193 [0,1,0,0,0,1|1,0,0]=3 10368 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Br 62a_100009817552_100009831999 [0,1,0,0,0,1|1,0,0]=3 10369 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Br 62a_100009831999_100009817552 [0,1,0,0,0,1|1,0,0]=3 10370 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Cl 62a_100000735431_100009817552 [0,1,0,0,0,1|1,0,0]=3 10371 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Cl 62a_100009817552_100000735431 [0,1,0,0,0,1|1,0,0]=3 10372 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)F 62a_100009817552_100000099788 [0,1,0,0,0,1|1,0,0]=3 10373 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)F 62a_100009820150_100009817552 [0,1,0,0,0,1|1,0,0]=3 10374 B13R1.513 C[C@@H](O)CSCc1ccc(nn1)Cl 62a_100009817552_100016992710 [0,1,0,0,0,1|2,0,0]=4 10375 B13R1.513 C[C@@H](O)CSCc1ccc(nn1)Cl 62a_100016992710_100009817552 [0,1,0,0,0,1|2,0,0]=4 10376 B13R1.513 C[C@@H](O)CSCc1ncc(cn1)Br 62a_100009817552_100010064664 [0,1,0,0,0,1|2,0,0]=4 10377 B13R1.513 C[C@@H](O)CSCc1ncc(cn1)Br 62a_100010064664_100009817552 [0,1,0,0,0,1|2,0,0]=4 10378 B13R1.513 Cc1ccc(cc1)C=CCC(C)C 271570a_100016259101_100000186775 [0,1,0,0,0,1|1,0,1]=4 10379 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,1,0,0,0,1|0,0,2]=4 10380 B13R1.513 Cc1ccc(cc1)CCNC(C)C 2230a_100000705350_100000210206 [0,1,0,0,0,1|1,0,0]=3 10381 B13R1.513 Cc1ccc(cc1)CCNC(C)C 2230a_100138425928_100011713686 [0,1,0,0,0,1|1,0,0]=3 10382 B13R1.513 Cc1ccc(cc1)CCNC(C)C 34a_100000705350_100000210206 [0,1,0,0,0,1|1,0,0]=3 10383 B13R1.513 Cc1ccc(cc1)CCNC(C)C 34a_100138425928_100011713686 [0,1,0,0,0,1|1,0,0]=3 10384 B13R1.513 Cc1ccc(cc1)CCOC(C)C 34a_100000212225_100011713686 [0,1,0,0,0,1|1,0,0]=3 10385 B13R1.513 Cc1ccc(cc1)CCOC(C)C 34a_100000756670_100000210206 [0,1,0,0,0,1|1,0,0]=3 10386 B13R1.513 Cc1ccc(cc1)CCOC(C)C 7a_100000756670_100000210206 [0,1,0,0,0,1|1,0,0]=3 10387 B13R1.513 Cc1ccc(cc1)CCSC(C)C 62a_100000210206_100011713686 [0,1,0,0,0,1|1,0,0]=3 10388 B13R1.513 Cc1ccc(cc1)CCSC(C)C 62a_100011713686_100000210206 [0,1,0,0,0,1|1,0,0]=3 10389 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,1,0,0,0,1|1,0,1]=4 10390 B13R1.513 Cc1ccc(cc1)CNCC(C)C 207a_100000210953_100000211033 [0,1,0,0,0,1|1,0,0]=3 10391 B13R1.513 Cc1ccc(cc1)CNCC(C)C 2230a_100000174908_100000210760 [0,1,0,0,0,1|1,0,0]=3 10392 B13R1.513 Cc1ccc(cc1)CNCC(C)C 2230a_100000210953_100000210814 [0,1,0,0,0,1|1,0,0]=3 10393 B13R1.513 Cc1ccc(cc1)CNCC(C)C 26a_100000210953_200020625495 [0,1,0,0,0,1|1,0,0]=3 10394 B13R1.513 Cc1ccc(cc1)CNCC(C)C 270004a_100000174908_100000210432 [0,1,0,0,0,1|1,0,0]=3 10395 B13R1.513 Cc1ccc(cc1)CNCC(C)C 270004a_100000210953_100000211033 [0,1,0,0,0,1|1,0,0]=3 10396 B13R1.513 Cc1ccc(cc1)CNCC(C)C 34a_100000174908_100000210624 [0,1,0,0,0,1|1,0,0]=3 10397 B13R1.513 Cc1ccc(cc1)CNCC(C)C 34a_100000210953_100000210814 [0,1,0,0,0,1|1,0,0]=3 10398 B13R1.513 Cc1ccc(cc1)CNCC(C)O 207a_100000210904_100000211033 [0,1,0,0,0,1|0,0,0]=2 10399 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000174908_100011218427 [0,1,0,0,0,1|0,0,0]=2 10400 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000210904_100000210814 [0,1,0,0,0,1|0,0,0]=2 10401 B13R1.513 Cc1ccc(cc1)CNCC(C)O 270004a_100000210904_100000211033 [0,1,0,0,0,1|0,0,0]=2 10402 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000174908_100011218427 [0,1,0,0,0,1|0,0,0]=2 10403 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000210904_100000210814 [0,1,0,0,0,1|0,0,0]=2 10404 B13R1.513 Cc1ccc(cc1)CNCC(F)F 207a_100000765723_100000211033 [0,1,0,0,0,1|2,0,0]=4 10405 B13R1.513 Cc1ccc(cc1)CNCC(F)F 2230a_100000174908_100011934356 [0,1,0,0,0,1|2,0,0]=4 10406 B13R1.513 Cc1ccc(cc1)CNCC(F)F 270004a_100000765723_100000211033 [0,1,0,0,0,1|2,0,0]=4 10407 B13R1.513 Cc1ccc(cc1)CNCC(F)F 34a_100000174908_100011934356 [0,1,0,0,0,1|2,0,0]=4 10408 B13R1.513 Cc1ccc(cc1)CNCC(F)F 34a_100000765723_100000210814 [0,1,0,0,0,1|2,0,0]=4 10409 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 2230a_100000174908_100009817552 [0,1,0,0,0,1|0,0,0]=2 10410 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 34a_100000174908_100009817552 [0,1,0,0,0,1|0,0,0]=2 10411 B13R1.513 Cc1ccc(cc1)COCC(C)Br 34a_100012180447_100000210814 [0,1,0,0,0,1|1,0,0]=3 10412 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100000210257_100000210814 [0,1,0,0,0,1|1,0,0]=3 10413 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100011215236_100000210624 [0,1,0,0,0,1|1,0,0]=3 10414 B13R1.513 Cc1ccc(cc1)COCC(C)C 7a_100011215236_100000210760 [0,1,0,0,0,1|1,0,0]=3 10415 B13R1.513 Cc1ccc(cc1)COCC(C)F 34a_100015925927_100000210814 [0,1,0,0,0,1|1,0,0]=3 10416 B13R1.513 Cc1ccc(cc1)COCC(C)O 34a_100011215236_100011218427 [0,1,0,0,0,1|0,0,0]=2 10417 B13R1.513 Cc1ccc(cc1)COCC(C)O 7a_100011215236_100011218427 [0,1,0,0,0,1|0,0,0]=2 10418 B13R1.513 Cc1ccc(cc1)COCC(F)F 34a_100000743014_100000210814 [0,1,0,0,0,1|2,0,0]=4 10419 B13R1.513 Cc1ccc(cc1)COCC(F)F 34a_100011215236_100011934356 [0,1,0,0,0,1|2,0,0]=4 10420 B13R1.513 Cc1ccc(cc1)COCC(F)F 7a_100011215236_100011934356 [0,1,0,0,0,1|2,0,0]=4 10421 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)Cl 34a_100016084084_100000210814 [0,1,0,0,0,1|1,0,0]=3 10422 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)N 34a_100000737577_100000210814 [0,1,0,0,0,1|1,0,0]=3 10423 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 34a_100011215236_100009817552 [0,1,0,0,0,1|0,0,0]=2 10424 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 7a_100011215236_100009817552 [0,1,0,0,0,1|0,0,0]=2 10425 B13R1.513 Cc1ccc(cc1)CSCC(C)C 62a_100000210624_100000210814 [0,1,0,0,0,1|1,0,0]=3 10426 B13R1.513 Cc1ccc(cc1)CSCC(C)C 62a_100000210814_100000210760 [0,1,0,0,0,1|1,0,0]=3 10427 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100000210814_100011218427 [0,1,0,0,0,1|0,0,0]=2 10428 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100011218427_100000210814 [0,1,0,0,0,1|0,0,0]=2 10429 B13R1.513 Cc1ccc(cc1)CSCC(F)F 62a_100000210814_100011934356 [0,1,0,0,0,1|2,0,0]=4 10430 B13R1.513 Cc1ccc(cc1)CSCC(F)F 62a_100011934356_100000210814 [0,1,0,0,0,1|2,0,0]=4 10431 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100000210814_100009817552 [0,1,0,0,0,1|0,0,0]=2 10432 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100009817552_100000210814 [0,1,0,0,0,1|0,0,0]=2 10433 B13R1.513 Cc1ccc(cc1)NCCC(C)C 34a_100000124888_100000210312 [0,1,0,0,0,1|1,0,0]=3 10434 B13R1.513 Cc1ccc(cc1)NCCC(C)O 34a_100000124888_100012276601 [0,1,0,0,0,1|0,0,0]=2 10435 B13R1.513 Cc1ccc(cc1)NCOC(C)C 34a_100000124888_100000709892 [0,1,0,0,0,1|2,0,0]=4 10436 B13R1.513 Cc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182323_200025704644 [0,1,0,0,0,1|0,0,2]=4 10437 B13R1.513 Cc1ccc(cc1)OCCC(C)C 34a_100000210336_100000210312 [0,1,0,0,0,1|1,0,0]=3 10438 B13R1.513 Cc1ccc(cc1)OCCC(C)C 7a_100000210336_100000210626 [0,1,0,0,0,1|1,0,0]=3 10439 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [0,1,0,0,0,1|0,0,0]=2 10440 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [0,1,0,0,0,1|0,0,0]=2 10441 B13R1.513 Cc1ccc(cc1)OCCN(C)C 2230a_100015185911_200000210301 [0,1,0,0,0,1|2,0,0]=4 10442 B13R1.513 Cc1ccc(cc1)OCCN(C)C 2230a_100102631434_100000183172 [0,1,0,0,0,1|2,0,0]=4 10443 B13R1.513 Cc1ccc(cc1)OCCN(C)C 269982a_100015185911_200000210301 [0,1,0,0,0,1|2,0,0]=4 10444 B13R1.513 Cc1ccc(cc1)OCCN(C)C 269982a_100102631434_100000183172 [0,1,0,0,0,1|2,0,0]=4 10445 B13R1.513 Cc1ccc(cc1)OCCN(C)C 34a_100015185911_200000210301 [0,1,0,0,0,1|2,0,0]=4 10446 B13R1.513 Cc1ccc(cc1)OCCN(C)C 7a_100000210336_100000755713 [0,1,0,0,0,1|2,0,0]=4 10447 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 2230a_100015185911_200025704644 [0,1,0,0,0,1|2,0,0]=4 10448 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 269982a_100015185911_200025704644 [0,1,0,0,0,1|2,0,0]=4 10449 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 34a_100015185911_200025704644 [0,1,0,0,0,1|2,0,0]=4 10450 B13R1.513 Cc1ccc(cc1)OCOC(C)C 34a_100000210336_100000709892 [0,1,0,0,0,1|2,0,0]=4 10451 B13R1.513 Cc1ccc(cc1)SCCC(=O)[13CH3] 1458a_100000182377_200025704644 [0,1,0,0,0,1|0,0,2]=4 10452 B13R1.513 Cc1ccc(cc1)SCCC(C)C 62a_100000186775_100000210312 [0,1,0,0,0,1|1,0,0]=3 10453 B13R1.513 Cc1ccc(cc1)SCCC(C)C 62a_100000210312_100000186775 [0,1,0,0,0,1|1,0,0]=3 10454 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100000186775_100012276601 [0,1,0,0,0,1|0,0,0]=2 10455 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100012276601_100000186775 [0,1,0,0,0,1|0,0,0]=2 10456 B13R1.513 Cc1ccc(cc1)SCCN(C)C 2230a_100015185158_200000210301 [0,1,0,0,0,1|2,0,0]=4 10457 B13R1.513 Cc1ccc(cc1)SCCN(C)C 269982a_100015185158_200000210301 [0,1,0,0,0,1|2,0,0]=4 10458 B13R1.513 Cc1ccc(cc1)SCCN(C)C 62a_100000186775_100000755713 [0,1,0,0,0,1|2,0,0]=4 10459 B13R1.513 Cc1ccc(cc1)SCCN(C)[13CH3] 2230a_100015185158_200025704644 [0,1,0,0,0,1|2,0,0]=4 10460 B13R1.513 Cc1ccc(cc1)SCCN(C)[13CH3] 269982a_100015185158_200025704644 [0,1,0,0,0,1|2,0,0]=4 10461 B13R1.513 Cc1ccc(cc1)SCOC(C)C 62a_100000186775_100000709892 [0,1,0,0,0,1|2,0,0]=4 10462 B13R1.513 Cc1ccc(cc1)SCOC(C)C 62a_100000709892_100000186775 [0,1,0,0,0,1|2,0,0]=4 10463 B13R1.513 Cc1ccc(cn1)CCOC(C)C 34a_100011815783_100000210206 [0,1,0,0,0,1|2,0,0]=4 10464 B13R1.513 Cc1ccc(cn1)CNCC(C)C 2230a_100000210953_100016987292 [0,1,0,0,0,1|2,0,0]=4 10465 B13R1.513 Cc1ccc(cn1)CNCC(C)C 270004a_100000210953_100000743784 [0,1,0,0,0,1|2,0,0]=4 10466 B13R1.513 Cc1ccc(cn1)CNCC(C)C 270004a_100000740942_100000210432 [0,1,0,0,0,1|2,0,0]=4 10467 B13R1.513 Cc1ccc(cn1)CNCC(C)C 34a_100000210953_100016987292 [0,1,0,0,0,1|2,0,0]=4 10468 B13R1.513 Cc1ccc(cn1)CNCC(C)C 34a_100000740942_100000210624 [0,1,0,0,0,1|2,0,0]=4 10469 B13R1.513 Cc1ccc(cn1)CNCC(C)O 2230a_100000210904_100016987292 [0,1,0,0,0,1|1,0,0]=3 10470 B13R1.513 Cc1ccc(cn1)CNCC(C)O 270004a_100000210904_100000743784 [0,1,0,0,0,1|1,0,0]=3 10471 B13R1.513 Cc1ccc(cn1)CNCC(C)O 34a_100000210904_100016987292 [0,1,0,0,0,1|1,0,0]=3 10472 B13R1.513 Cc1ccc(cn1)CNCC(C)O 34a_100000740942_100011218427 [0,1,0,0,0,1|1,0,0]=3 10473 B13R1.513 Cc1ccc(cn1)CNC[C@@H](C)O 34a_100000740942_100009817552 [0,1,0,0,0,1|1,0,0]=3 10474 B13R1.513 Cc1ccc(cn1)COCC(C)Br 34a_100012180447_100016987292 [0,1,0,0,0,1|2,0,0]=4 10475 B13R1.513 Cc1ccc(cn1)COCC(C)C 34a_100000210257_100016987292 [0,1,0,0,0,1|2,0,0]=4 10476 B13R1.513 Cc1ccc(cn1)COCC(C)C 34a_100011248133_100000210624 [0,1,0,0,0,1|2,0,0]=4 10477 B13R1.513 Cc1ccc(cn1)COCC(C)F 34a_100015925927_100016987292 [0,1,0,0,0,1|2,0,0]=4 10478 B13R1.513 Cc1ccc(cn1)COCC(C)O 34a_100011248133_100011218427 [0,1,0,0,0,1|1,0,0]=3 10479 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)Cl 34a_100016084084_100016987292 [0,1,0,0,0,1|2,0,0]=4 10480 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)N 34a_100000737577_100016987292 [0,1,0,0,0,1|2,0,0]=4 10481 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)O 34a_100011248133_100009817552 [0,1,0,0,0,1|1,0,0]=3 10482 B13R1.513 Cc1ccc(cn1)CSCC(C)C 62a_100000210624_100016987292 [0,1,0,0,0,1|2,0,0]=4 10483 B13R1.513 Cc1ccc(cn1)CSCC(C)C 62a_100016987292_100000210760 [0,1,0,0,0,1|2,0,0]=4 10484 B13R1.513 Cc1ccc(cn1)CSCC(C)O 62a_100011218427_100016987292 [0,1,0,0,0,1|1,0,0]=3 10485 B13R1.513 Cc1ccc(cn1)CSCC(C)O 62a_100016987292_100011218427 [0,1,0,0,0,1|1,0,0]=3 10486 B13R1.513 Cc1ccc(cn1)CSC[C@@H](C)O 62a_100009817552_100016987292 [0,1,0,0,0,1|1,0,0]=3 10487 B13R1.513 Cc1ccc(cn1)CSC[C@@H](C)O 62a_100016987292_100009817552 [0,1,0,0,0,1|1,0,0]=3 10488 B13R1.513 Cc1ccc(cn1)OCCC(C)C 34a_100000745506_100000210312 [0,1,0,0,0,1|2,0,0]=4 10489 B13R1.513 Cc1ccc(cn1)OCCC(C)C 7a_100000745506_100000210626 [0,1,0,0,0,1|2,0,0]=4 10490 B13R1.513 Cc1ccc(cn1)OCCC(C)O 34a_100000745506_100012276601 [0,1,0,0,0,1|1,0,0]=3 10491 B13R1.513 Cc1ccc(cn1)OCCC(C)O 7a_100000745506_100012276601 [0,1,0,0,0,1|1,0,0]=3 10492 B13R1.513 Cc1ccc(cn1)SCCC(C)C 62a_100000210312_100000751577 [0,1,0,0,0,1|2,0,0]=4 10493 B13R1.513 Cc1ccc(cn1)SCCC(C)C 62a_100000751577_100000210312 [0,1,0,0,0,1|2,0,0]=4 10494 B13R1.513 Cc1ccc(cn1)SCCC(C)O 62a_100000751577_100012276601 [0,1,0,0,0,1|1,0,0]=3 10495 B13R1.513 Cc1ccc(cn1)SCCC(C)O 62a_100012276601_100000751577 [0,1,0,0,0,1|1,0,0]=3 10496 B13R1.513 Cc1ccc(nc1)CNCC(C)C 207a_100000210953_100000050478 [0,1,0,0,0,1|2,0,0]=4 10497 B13R1.513 Cc1ccc(nc1)CNCC(C)C 2230a_100000210953_100000691093 [0,1,0,0,0,1|2,0,0]=4 10498 B13R1.513 Cc1ccc(nc1)CNCC(C)C 270004a_100000210953_100000050478 [0,1,0,0,0,1|2,0,0]=4 10499 B13R1.513 Cc1ccc(nc1)CNCC(C)C 34a_100000210953_100000691093 [0,1,0,0,0,1|2,0,0]=4 10500 B13R1.513 Cc1ccc(nc1)CNCC(C)C 34a_100015187455_100000210624 [0,1,0,0,0,1|2,0,0]=4 10501 B13R1.513 Cc1ccc(nc1)CNCC(C)O 207a_100000210904_100000050478 [0,1,0,0,0,1|1,0,0]=3 10502 B13R1.513 Cc1ccc(nc1)CNCC(C)O 2230a_100000210904_100000691093 [0,1,0,0,0,1|1,0,0]=3 10503 B13R1.513 Cc1ccc(nc1)CNCC(C)O 270004a_100000210904_100000050478 [0,1,0,0,0,1|1,0,0]=3 10504 B13R1.513 Cc1ccc(nc1)CNCC(C)O 34a_100000210904_100000691093 [0,1,0,0,0,1|1,0,0]=3 10505 B13R1.513 Cc1ccc(nc1)CNCC(C)O 34a_100015187455_100011218427 [0,1,0,0,0,1|1,0,0]=3 10506 B13R1.513 Cc1ccc(nc1)CNC[C@@H](C)O 34a_100015187455_100009817552 [0,1,0,0,0,1|1,0,0]=3 10507 B13R1.513 Cc1ccc(nc1)COCC(C)Br 34a_100012180447_100000691093 [0,1,0,0,0,1|2,0,0]=4 10508 B13R1.513 Cc1ccc(nc1)COCC(C)C 34a_100000210257_100000691093 [0,1,0,0,0,1|2,0,0]=4 10509 B13R1.513 Cc1ccc(nc1)COCC(C)C 34a_100012001401_100000210624 [0,1,0,0,0,1|2,0,0]=4 10510 B13R1.513 Cc1ccc(nc1)COCC(C)F 34a_100015925927_100000691093 [0,1,0,0,0,1|2,0,0]=4 10511 B13R1.513 Cc1ccc(nc1)COCC(C)O 34a_100012001401_100011218427 [0,1,0,0,0,1|1,0,0]=3 10512 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)Cl 34a_100016084084_100000691093 [0,1,0,0,0,1|2,0,0]=4 10513 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)N 34a_100000737577_100000691093 [0,1,0,0,0,1|2,0,0]=4 10514 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)O 34a_100012001401_100009817552 [0,1,0,0,0,1|1,0,0]=3 10515 B13R1.513 Cc1ccc(nc1)CSCC(C)C 62a_100000210624_100000691093 [0,1,0,0,0,1|2,0,0]=4 10516 B13R1.513 Cc1ccc(nc1)CSCC(C)C 62a_100000691093_100000210760 [0,1,0,0,0,1|2,0,0]=4 10517 B13R1.513 Cc1ccc(nc1)CSCC(C)O 62a_100000691093_100011218427 [0,1,0,0,0,1|1,0,0]=3 10518 B13R1.513 Cc1ccc(nc1)CSCC(C)O 62a_100011218427_100000691093 [0,1,0,0,0,1|1,0,0]=3 10519 B13R1.513 Cc1ccc(nc1)CSC[C@@H](C)O 62a_100000691093_100009817552 [0,1,0,0,0,1|1,0,0]=3 10520 B13R1.513 Cc1ccc(nc1)CSC[C@@H](C)O 62a_100009817552_100000691093 [0,1,0,0,0,1|1,0,0]=3 10521 B13R1.513 Cc1ccc(nc1)OCCC(C)C 34a_100000759353_100000210312 [0,1,0,0,0,1|2,0,0]=4 10522 B13R1.513 Cc1ccc(nc1)OCCC(C)O 34a_100000759353_100012276601 [0,1,0,0,0,1|1,0,0]=3 10523 B13R1.513 Cc1ccc(nc1)SCCC(C)C 62a_100000210312_100000754016 [0,1,0,0,0,1|2,0,0]=4 10524 B13R1.513 Cc1ccc(nc1)SCCC(C)C 62a_100011192072_100000210312 [0,1,0,0,0,1|2,0,0]=4 10525 B13R1.513 Cc1ccc(nc1)SCCC(C)O 62a_100011192072_100012276601 [0,1,0,0,0,1|1,0,0]=3 10526 B13R1.513 Cc1ccc(nc1)SCCC(C)O 62a_100012276601_100000754016 [0,1,0,0,0,1|1,0,0]=3 10527 B13R1.513 Cc1ccc(nn1)NCCC(C)O 27a_200000755665_100000744512 [0,1,0,0,0,1|2,0,0]=4 10528 B13R1.513 Cc1ccc(nn1)SCCC(C)O 62a_100000744512_100012276601 [0,1,0,0,0,1|2,0,0]=4 10529 B13R1.513 Cc1ccc(nn1)SCCC(C)O 62a_100012276601_100000744512 [0,1,0,0,0,1|2,0,0]=4 10530 B13R1.513 Cc1cnc(cn1)CNCC(C)O 2230a_100000210904_100000752025 [0,1,0,0,0,1|2,0,0]=4 10531 B13R1.513 Cc1cnc(cn1)CNCC(C)O 270004a_100000210904_100000685221 [0,1,0,0,0,1|2,0,0]=4 10532 B13R1.513 Cc1cnc(cn1)CNCC(C)O 34a_100132314150_100011218427 [0,1,0,0,0,1|2,0,0]=4 10533 B13R1.513 Cc1cnc(cn1)CNC[C@@H](C)O 34a_100132314150_100009817552 [0,1,0,0,0,1|2,0,0]=4 10534 B13R1.513 Cc1cnc(cn1)COCC(C)O 34a_100011273949_100011218427 [0,1,0,0,0,1|2,0,0]=4 10535 B13R1.513 Cc1cnc(cn1)COC[C@@H](C)O 34a_100011273949_100009817552 [0,1,0,0,0,1|2,0,0]=4 10536 B13R1.513 Cc1cnc(cn1)CSCC(C)O 62a_100000752025_100011218427 [0,1,0,0,0,1|2,0,0]=4 10537 B13R1.513 Cc1cnc(cn1)CSCC(C)O 62a_100011218427_100000752025 [0,1,0,0,0,1|2,0,0]=4 10538 B13R1.513 Cc1cnc(cn1)CSC[C@@H](C)O 62a_100000752025_100009817552 [0,1,0,0,0,1|2,0,0]=4 10539 B13R1.513 Cc1cnc(cn1)CSC[C@@H](C)O 62a_100009817552_100000752025 [0,1,0,0,0,1|2,0,0]=4 10540 B13R1.513 Cc1cnc(cn1)NCCC(C)O 27a_200000755665_100000074397 [0,1,0,0,0,1|2,0,0]=4 10541 B13R1.513 Cc1cnc(cn1)SCCC(C)O 62a_100011999403_100012276601 [0,1,0,0,0,1|2,0,0]=4 10542 B13R1.513 Cc1cnc(cn1)SCCC(C)O 62a_100012276601_100011999403 [0,1,0,0,0,1|2,0,0]=4 10543 B13R1.513 Cc1cnc(nc1)CNCC(C)O 2230a_100000210904_100000685645 [0,1,0,0,0,1|2,0,0]=4 10544 B13R1.513 Cc1cnc(nc1)CNCC(C)O 34a_100000210904_100000685645 [0,1,0,0,0,1|2,0,0]=4 10545 B13R1.513 Cc1cnc(nc1)CSCC(C)O 62a_100000685645_100011218427 [0,1,0,0,0,1|2,0,0]=4 10546 B13R1.513 Cc1cnc(nc1)CSCC(C)O 62a_100011218427_100000685645 [0,1,0,0,0,1|2,0,0]=4 10547 B13R1.513 Cc1cnc(nc1)CSC[C@@H](C)O 62a_100000685645_100009817552 [0,1,0,0,0,1|2,0,0]=4 10548 B13R1.513 Cc1cnc(nc1)CSC[C@@H](C)O 62a_100009817552_100000685645 [0,1,0,0,0,1|2,0,0]=4 10549 B13R1.513 Cc1cnc(nc1)NCCC(C)O 27a_200000755665_100000061069 [0,1,0,0,0,1|2,0,0]=4 10550 B13R1.513 Cc1cnc(nc1)SCCC(C)O 62a_100000061069_100012276601 [0,1,0,0,0,1|2,0,0]=4 10551 B13R1.513 Cc1cnc(nc1)SCCC(C)O 62a_100012276601_100000061069 [0,1,0,0,0,1|2,0,0]=4 10552 B13R1.513 Cc1ncc(cn1)CNCC(C)O 270004a_100000210904_100011202771 [0,1,0,0,0,1|2,0,0]=4 10553 B13R1.513 Cc1ncc(cn1)COCC(C)O 34a_100011746891_100011218427 [0,1,0,0,0,1|2,0,0]=4 10554 B13R1.513 Cc1ncc(cn1)COC[C@@H](C)O 34a_100011746891_100009817552 [0,1,0,0,0,1|2,0,0]=4 10555 B13R1.513 Cc1ncc(cn1)OCCC(C)O 34a_100000062939_100012276601 [0,1,0,0,0,1|2,0,0]=4 10556 B13R1.513 Cc1ncc(cn1)OCCC(C)O 7a_100000062939_100012276601 [0,1,0,0,0,1|2,0,0]=4 10557 B13R1.513 Cc1ncc(cn1)SCCC(C)O 62a_100000686985_100012276601 [0,1,0,0,0,1|2,0,0]=4 10558 B13R1.513 Cc1ncc(cn1)SCCC(C)O 62a_100012276601_100000686985 [0,1,0,0,0,1|2,0,0]=4 10559 B13R1.513 FC(F)CNCc1ccc(cc1)Br 207a_100000765723_100000186029 [0,1,0,0,0,1|2,0,0]=4 10560 B13R1.513 FC(F)CNCc1ccc(cc1)Br 2230a_100000174875_100011934356 [0,1,0,0,0,1|2,0,0]=4 10561 B13R1.513 FC(F)CNCc1ccc(cc1)Br 270004a_100000765723_100000186029 [0,1,0,0,0,1|2,0,0]=4 10562 B13R1.513 FC(F)CNCc1ccc(cc1)Br 34a_100000174875_100011934356 [0,1,0,0,0,1|2,0,0]=4 10563 B13R1.513 FC(F)CNCc1ccc(cc1)Br 34a_100000765723_100000189115 [0,1,0,0,0,1|2,0,0]=4 10564 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 207a_100000765723_100000189385 [0,1,0,0,0,1|2,0,0]=4 10565 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 2230a_100000174871_100011934356 [0,1,0,0,0,1|2,0,0]=4 10566 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 270004a_100000765723_100000189385 [0,1,0,0,0,1|2,0,0]=4 10567 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 34a_100000174871_100011934356 [0,1,0,0,0,1|2,0,0]=4 10568 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 34a_100000765723_100000694040 [0,1,0,0,0,1|2,0,0]=4 10569 B13R1.513 FC(F)CNCc1ccc(cc1)I 207a_100000765723_100000188517 [0,1,0,0,0,1|2,0,0]=4 10570 B13R1.513 FC(F)CNCc1ccc(cc1)I 2230a_100016989417_100011934356 [0,1,0,0,0,1|2,0,0]=4 10571 B13R1.513 FC(F)CNCc1ccc(cc1)I 34a_100000765723_100000189116 [0,1,0,0,0,1|2,0,0]=4 10572 B13R1.513 FC(F)CNCc1ccc(cc1)I 34a_100016989417_100011934356 [0,1,0,0,0,1|2,0,0]=4 10573 B13R1.513 FC(F)COCc1ccc(cc1)Br 34a_100000695286_100011934356 [0,1,0,0,0,1|2,0,0]=4 10574 B13R1.513 FC(F)COCc1ccc(cc1)Br 34a_100000743014_100000189115 [0,1,0,0,0,1|2,0,0]=4 10575 B13R1.513 FC(F)COCc1ccc(cc1)Cl 34a_100000211118_100011934356 [0,1,0,0,0,1|2,0,0]=4 10576 B13R1.513 FC(F)COCc1ccc(cc1)Cl 34a_100000743014_100000694040 [0,1,0,0,0,1|2,0,0]=4 10577 B13R1.513 FC(F)COCc1ccc(cc1)Cl 7a_100000211118_100011934356 [0,1,0,0,0,1|2,0,0]=4 10578 B13R1.513 FC(F)COCc1ccc(cc1)I 34a_100000690907_100011934356 [0,1,0,0,0,1|2,0,0]=4 10579 B13R1.513 FC(F)COCc1ccc(cc1)I 34a_100000743014_100000189116 [0,1,0,0,0,1|2,0,0]=4 10580 B13R1.513 FC(F)COCc1ccc(cc1)I 7a_100000690907_100011934356 [0,1,0,0,0,1|2,0,0]=4 10581 B13R1.513 FC(F)CSCc1ccc(cc1)Br 62a_100000189115_100011934356 [0,1,0,0,0,1|2,0,0]=4 10582 B13R1.513 FC(F)CSCc1ccc(cc1)Br 62a_100011934356_100000189115 [0,1,0,0,0,1|2,0,0]=4 10583 B13R1.513 FC(F)CSCc1ccc(cc1)Cl 62a_100000187161_100011934356 [0,1,0,0,0,1|2,0,0]=4 10584 B13R1.513 FC(F)CSCc1ccc(cc1)Cl 62a_100011934356_100000187161 [0,1,0,0,0,1|2,0,0]=4 10585 B13R1.513 FC(F)CSCc1ccc(cc1)I 62a_100000189116_100011934356 [0,1,0,0,0,1|2,0,0]=4 10586 B13R1.513 FC(F)CSCc1ccc(cc1)I 62a_100011934356_100000189116 [0,1,0,0,0,1|2,0,0]=4 10587 B13R1.513 Fc1ccc(cc1)CNCC(F)F 207a_100000765723_100000210084 [0,1,0,0,0,1|2,0,0]=4 10588 B13R1.513 Fc1ccc(cc1)CNCC(F)F 2230a_100000174882_100011934356 [0,1,0,0,0,1|2,0,0]=4 10589 B13R1.513 Fc1ccc(cc1)CNCC(F)F 270004a_100000765723_100000210084 [0,1,0,0,0,1|2,0,0]=4 10590 B13R1.513 Fc1ccc(cc1)CNCC(F)F 34a_100000174882_100011934356 [0,1,0,0,0,1|2,0,0]=4 10591 B13R1.513 Fc1ccc(cc1)CNCC(F)F 34a_100000765723_100000198546 [0,1,0,0,0,1|2,0,0]=4 10592 B13R1.513 Fc1ccc(cc1)COCC(F)F 34a_100000210977_100011934356 [0,1,0,0,0,1|2,0,0]=4 10593 B13R1.513 Fc1ccc(cc1)COCC(F)F 34a_100000743014_100000198546 [0,1,0,0,0,1|2,0,0]=4 10594 B13R1.513 Fc1ccc(cc1)COCC(F)F 7a_100000210977_100011934356 [0,1,0,0,0,1|2,0,0]=4 10595 B13R1.513 Fc1ccc(cc1)CSCC(F)F 62a_100000198546_100011934356 [0,1,0,0,0,1|2,0,0]=4 10596 B13R1.513 Fc1ccc(cc1)CSCC(F)F 62a_100011934356_100000187164 [0,1,0,0,0,1|2,0,0]=4 10597 B13R1.513 Nc1ccc(cc1)COCC(F)F 34a_100011215238_100011934356 [0,1,0,0,0,1|2,0,0]=4 10598 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,1,0,0,0,1|1,0,1]=4 10599 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,1,0,0,0,1|1,0,1]=4 10600 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,1,0,0,0,1|1,0,1]=4 10601 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,1,0,0,0,1|1,0,1]=4 10602 B13R1.513 Oc1ccc(cc1)CNCC(F)F 34a_100000185549_100011934356 [0,1,0,0,0,1|2,0,0]=4 10603 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,1,0,0,0,1|0,0,2]=4 10604 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,1,0,0,0,1|0,0,2]=4 10605 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,1,0,0,0,1|0,0,2]=4 10606 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,1,0,0,0,1|0,0,2]=4 10607 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,1,0,0,0,1|0,0,2]=4 10608 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200025704644 [0,1,0,0,0,1|0,0,2]=4 10609 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [0,1,0,0,0,1|0,0,2]=4 10610 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)F 1458a_100000737396_200025704644 [0,1,0,0,0,1|0,0,2]=4 10611 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200025704644 [0,1,0,0,0,1|0,0,2]=4 10612 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200025704644 [0,1,0,0,0,1|0,0,2]=4 10613 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)F 1458a_100000199091_200025704644 [0,1,0,0,0,1|0,0,2]=4 10614 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [0,1,0,0,0,1|0,0,2]=4 10615 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200025704644 [0,1,0,0,0,1|0,0,2]=4 10616 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200025704644 [0,1,0,0,0,1|0,0,2]=4 10617 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)F 1458a_100000150272_200025704644 [0,1,0,0,0,1|0,0,2]=4 10618 B13R1.718 C#CC(C)NCCc1ccccc1 2230a_100000707721_100000765856 [0,1,0,0,0,1|1,0,0]=3 10619 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000106460_200000035995 [0,1,0,0,0,1|1,0,0]=3 10620 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000707721_100000765856 [0,1,0,0,0,1|1,0,0]=3 10621 B13R1.718 C#CC(C)NCCc1ccccn1 2230a_100000707721_100015183660 [0,1,0,0,0,1|2,0,0]=4 10622 B13R1.718 C#CC(C)NCCc1cccnc1 2230a_100000707721_200011713674 [0,1,0,0,0,1|2,0,0]=4 10623 B13R1.718 C#CC(C)NCCc1ccncc1 2230a_100000707721_100000723409 [0,1,0,0,0,1|2,0,0]=4 10624 B13R1.718 C#CC(C)NCSc1ccccc1 2230a_100000707721_100011218342 [0,1,0,0,0,1|2,0,0]=4 10625 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [0,1,0,0,0,1|1,0,0]=3 10626 B13R1.718 C#CC(C)OCCc1ccccn1 34a_100000210271_200000035995 [0,1,0,0,0,1|2,0,0]=4 10627 B13R1.718 C#CC(C)OCCc1cccnc1 34a_100011217484_200000035995 [0,1,0,0,0,1|2,0,0]=4 10628 B13R1.718 C#CC(C)OCCc1ccncc1 34a_100011216225_200000035995 [0,1,0,0,0,1|2,0,0]=4 10629 B13R1.718 C#CC(C)SCCc1ccccc1 62a_200000035995_100011218657 [0,1,0,0,0,1|1,0,0]=3 10630 B13R1.718 C#CC(C)SCCc1ccccn1 62a_200000035995_100015183660 [0,1,0,0,0,1|2,0,0]=4 10631 B13R1.718 C#CC(C)SCCc1cccnc1 62a_200000035995_200011713674 [0,1,0,0,0,1|2,0,0]=4 10632 B13R1.718 C#CC(C)SCCc1ccncc1 62a_200000035995_100000723409 [0,1,0,0,0,1|2,0,0]=4 10633 B13R1.718 C#CC(C)SCSc1ccccc1 62a_200000035995_100011218342 [0,1,0,0,0,1|2,0,0]=4 10634 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [0,1,0,0,0,1|1,0,0]=3 10635 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [0,1,0,0,0,1|1,0,0]=3 10636 B13R1.718 C#C[C@@H](C)OCCc1ccccn1 7a_100009815206_100015183660 [0,1,0,0,0,1|2,0,0]=4 10637 B13R1.718 C#C[C@@H](C)OCCc1cccnc1 7a_100009815206_200011713674 [0,1,0,0,0,1|2,0,0]=4 10638 B13R1.718 C#C[C@@H](C)OCCc1ccncc1 7a_100009815206_100000723409 [0,1,0,0,0,1|2,0,0]=4 10639 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [0,1,0,0,0,1|1,0,0]=3 10640 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [0,1,0,0,0,1|1,0,0]=3 10641 B13R1.718 C=CC(C)COCc1ccccn1 34a_100011215527_100000721315 [0,1,0,0,0,1|2,0,0]=4 10642 B13R1.718 C=CC(C)COCc1ccccn1 7a_100011215527_100000721315 [0,1,0,0,0,1|2,0,0]=4 10643 B13R1.718 C=CC(C)COCc1cccnc1 34a_100011215527_100000733263 [0,1,0,0,0,1|2,0,0]=4 10644 B13R1.718 C=CC(C)COCc1cccnc1 7a_100011215527_100000741622 [0,1,0,0,0,1|2,0,0]=4 10645 B13R1.718 C=CC(C)COCc1ccncc1 7a_100011215527_100015193705 [0,1,0,0,0,1|2,0,0]=4 10646 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [0,1,0,0,0,1|1,0,0]=3 10647 B13R1.718 C=CC(C)SCCc1ccccc1 62a_100011215867_100011218657 [0,1,0,0,0,1|1,0,0]=3 10648 B13R1.718 C=CC(C)SCCc1ccccn1 62a_100011215867_100015183660 [0,1,0,0,0,1|2,0,0]=4 10649 B13R1.718 C=CC(C)SCCc1cccnc1 62a_100011215867_200011713674 [0,1,0,0,0,1|2,0,0]=4 10650 B13R1.718 C=CC(C)SCCc1ccncc1 62a_100011215867_100000723409 [0,1,0,0,0,1|2,0,0]=4 10651 B13R1.718 C=CC(C)SCSc1ccccc1 62a_100011215867_100011218342 [0,1,0,0,0,1|2,0,0]=4 10652 B13R1.718 C=CC(O)CNCc1ccccc1 2230a_100015324214_100000730141 [0,1,0,0,0,1|0,0,1]=3 10653 B13R1.718 C=CC(O)CNCc1ccccc1 34a_100015324214_100000730141 [0,1,0,0,0,1|0,0,1]=3 10654 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [0,1,0,0,0,1|0,0,1]=3 10655 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [0,1,0,0,0,1|0,0,1]=3 10656 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000211182_100000730141 [0,1,0,0,0,1|0,0,1]=3 10657 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000730141_100015291786 [0,1,0,0,0,1|0,0,1]=3 10658 B13R1.718 C=CC(O)CSCc1ccccn1 62a_100000721315_100000730141 [0,1,0,0,0,1|1,0,1]=4 10659 B13R1.718 C=CC(O)CSCc1ccccn1 62a_100000730141_100000721315 [0,1,0,0,0,1|1,0,1]=4 10660 B13R1.718 C=CC(O)CSCc1cccnc1 62a_100000730141_100000741622 [0,1,0,0,0,1|1,0,1]=4 10661 B13R1.718 C=CC(O)CSCc1cccnc1 62a_100000741622_100000730141 [0,1,0,0,0,1|1,0,1]=4 10662 B13R1.718 C=CC(O)CSCc1ccncc1 62a_100000730141_100015193705 [0,1,0,0,0,1|1,0,1]=4 10663 B13R1.718 C=CC(O)CSCc1ccncc1 62a_100015193705_100000730141 [0,1,0,0,0,1|1,0,1]=4 10664 B13R1.718 C=C[C@H](N)COCc1ccccc1 34a_100016989147_100015291786 [0,1,0,0,0,1|1,0,1]=4 10665 B13R1.718 CC(=NNCc1ccccc1)CO 4a_100000007032_100000211253 [0,1,0,0,0,1|1,0,1]=4 10666 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000106460_100000184139 [0,1,0,0,0,1|1,0,0]=3 10667 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000737613_100000765856 [0,1,0,0,0,1|1,0,0]=3 10668 B13R1.718 CC(C#N)NCCc1ccccn1 2230a_100000737613_100015183660 [0,1,0,0,0,1|2,0,0]=4 10669 B13R1.718 CC(C#N)NCCc1cccnc1 2230a_100000736294_100000184139 [0,1,0,0,0,1|2,0,0]=4 10670 B13R1.718 CC(C#N)NCCc1cccnc1 2230a_100000737613_200011713674 [0,1,0,0,0,1|2,0,0]=4 10671 B13R1.718 CC(C#N)NCCc1ccncc1 2230a_100000737613_100000723409 [0,1,0,0,0,1|2,0,0]=4 10672 B13R1.718 CC(C#N)NCSc1ccccc1 2230a_100000737613_100011218342 [0,1,0,0,0,1|2,0,0]=4 10673 B13R1.718 CC(C#N)OCCc1ccccc1 34a_100011218135_100000765856 [0,1,0,0,0,1|1,0,0]=3 10674 B13R1.718 CC(C#N)OCCc1ccccc1 7a_100000210268_100000703298 [0,1,0,0,0,1|1,0,0]=3 10675 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000703298_100011218657 [0,1,0,0,0,1|1,0,0]=3 10676 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000765856_100000703298 [0,1,0,0,0,1|1,0,0]=3 10677 B13R1.718 CC(C#N)SCCc1ccccn1 62a_100000703298_100015183660 [0,1,0,0,0,1|2,0,0]=4 10678 B13R1.718 CC(C#N)SCCc1ccccn1 62a_100015183660_100000703298 [0,1,0,0,0,1|2,0,0]=4 10679 B13R1.718 CC(C#N)SCCc1cccnc1 62a_100000703298_200011713674 [0,1,0,0,0,1|2,0,0]=4 10680 B13R1.718 CC(C#N)SCCc1cccnc1 62a_200011713674_100000703298 [0,1,0,0,0,1|2,0,0]=4 10681 B13R1.718 CC(C#N)SCCc1ccncc1 62a_100000703298_100000723409 [0,1,0,0,0,1|2,0,0]=4 10682 B13R1.718 CC(C#N)SCCc1ccncc1 62a_100000723409_100000703298 [0,1,0,0,0,1|2,0,0]=4 10683 B13R1.718 CC(C#N)SCSc1ccccc1 62a_100000703298_100011218342 [0,1,0,0,0,1|2,0,0]=4 10684 B13R1.718 CC(C#N)SCSc1ccccc1 62a_100011218342_100000703298 [0,1,0,0,0,1|2,0,0]=4 10685 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,1,0,0,0,1|0,1,0]=3 10686 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,1,0,0,0,1|0,1,0]=3 10687 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [0,1,0,0,0,1|1,0,0]=3 10688 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [0,1,0,0,0,1|1,0,0]=3 10689 B13R1.718 CC(CF)OCCc1ccccn1 7a_100016041109_100015183660 [0,1,0,0,0,1|2,0,0]=4 10690 B13R1.718 CC(CF)OCCc1cccnc1 7a_100016041109_200011713674 [0,1,0,0,0,1|2,0,0]=4 10691 B13R1.718 CC(CF)OCCc1ccncc1 7a_100016041109_100000723409 [0,1,0,0,0,1|2,0,0]=4 10692 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,1,0,0,0,1|1,0,0]=3 10693 B13R1.718 CC(CN)COCc1ccccn1 34a_100000744482_100000721315 [0,1,0,0,0,1|2,0,0]=4 10694 B13R1.718 CC(CN)COCc1cccnc1 34a_100000744482_100000733263 [0,1,0,0,0,1|2,0,0]=4 10695 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,1,0,0,0,1|1,0,0]=3 10696 B13R1.718 CC(CO)CCNc1cccnn1 27a_106354213184_100016991348 [0,1,0,0,0,1|2,0,0]=4 10697 B13R1.718 CC(CO)CCNc1ccncn1 27a_106354213184_100000703185 [0,1,0,0,0,1|2,0,0]=4 10698 B13R1.718 CC(CO)CCNc1cnccn1 27a_106354213184_100000211759 [0,1,0,0,0,1|2,0,0]=4 10699 B13R1.718 CC(CO)CCNc1ncccn1 27a_106354213184_100000211032 [0,1,0,0,0,1|2,0,0]=4 10700 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,1,0,0,0,1|0,0,0]=2 10701 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,1,0,0,0,1|0,0,0]=2 10702 B13R1.718 CC(CO)CNCc1ccccn1 207a_100000744482_100000209966 [0,1,0,0,0,1|1,0,0]=3 10703 B13R1.718 CC(CO)CNCc1ccccn1 34a_100000744482_100000721315 [0,1,0,0,0,1|1,0,0]=3 10704 B13R1.718 CC(CO)CNCc1cccnc1 207a_100000744482_100000209961 [0,1,0,0,0,1|1,0,0]=3 10705 B13R1.718 CC(CO)CNCc1cccnc1 34a_100000744482_100000733263 [0,1,0,0,0,1|1,0,0]=3 10706 B13R1.718 CC(CO)CNCc1cccnn1 34a_100000744482_100016990269 [0,1,0,0,0,1|2,0,0]=4 10707 B13R1.718 CC(CO)CNCc1ccncc1 207a_100000744482_100000186114 [0,1,0,0,0,1|1,0,0]=3 10708 B13R1.718 CC(CO)CNCc1cnccn1 34a_100000744482_100016995436 [0,1,0,0,0,1|2,0,0]=4 10709 B13R1.718 CC(CO)CNCc1cncnc1 34a_100000744482_100015196519 [0,1,0,0,0,1|2,0,0]=4 10710 B13R1.718 CC(CO)CNCc1ncccn1 34a_100000744482_100000703007 [0,1,0,0,0,1|2,0,0]=4 10711 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,1,0,0,0,1|0,0,0]=2 10712 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,1,0,0,0,1|0,0,0]=2 10713 B13R1.718 CC(CO)NCCc1cccnc1 2230a_100000736294_100012180447 [0,1,0,0,0,1|1,0,0]=3 10714 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,1,0,0,0,1|0,0,0]=2 10715 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,1,0,0,0,1|0,0,0]=2 10716 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [0,1,0,0,0,1|1,0,0]=3 10717 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [0,1,0,0,0,1|1,0,0]=3 10718 B13R1.718 CC(CO)OCCc1ccncc1 34a_100011216225_100012180447 [0,1,0,0,0,1|1,0,0]=3 10719 B13R1.718 CC(CO)OCCc1cnccn1 34a_100011349526_100012180447 [0,1,0,0,0,1|2,0,0]=4 10720 B13R1.718 CC(CO)OCCc1cncnc1 34a_100011709255_100012180447 [0,1,0,0,0,1|2,0,0]=4 10721 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,1,0,0,0,1|0,0,0]=2 10722 B13R1.718 CC(CO)SCCc1ccccn1 62a_100012180447_100015183660 [0,1,0,0,0,1|1,0,0]=3 10723 B13R1.718 CC(CO)SCCc1cccnc1 62a_100012180447_200011713674 [0,1,0,0,0,1|1,0,0]=3 10724 B13R1.718 CC(CO)SCCc1ccncc1 62a_100012180447_100000723409 [0,1,0,0,0,1|1,0,0]=3 10725 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [0,1,0,0,0,1|1,0,0]=3 10726 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,1,0,0,0,1|0,0,0]=2 10727 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,1,0,0,0,1|0,0,0]=2 10728 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,1,0,0,0,1|0,0,2]=4 10729 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,1,0,0,0,1|0,0,2]=4 10730 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,1,0,0,0,1|0,0,2]=4 10731 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,1,0,0,0,1|0,0,2]=4 10732 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,1,0,0,0,1|0,0,2]=4 10733 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,1,0,0,0,1|0,0,2]=4 10734 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,1,0,0,0,1|0,0,2]=4 10735 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,1,0,0,0,1|0,0,2]=4 10736 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,1,0,0,0,1|0,0,2]=4 10737 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,1,0,0,0,1|0,0,2]=4 10738 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,1,0,0,0,1|0,0,2]=4 10739 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,1,0,0,0,1|0,0,2]=4 10740 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,1,0,0,0,1|0,0,2]=4 10741 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,1,0,0,0,1|0,0,2]=4 10742 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,1,0,0,0,1|0,0,2]=4 10743 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,1,0,0,0,1|0,0,2]=4 10744 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,1,0,0,0,1|0,0,2]=4 10745 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,1,0,0,0,1|1,0,0]=3 10746 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,1,0,0,0,1|1,0,0]=3 10747 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,1,0,0,0,1|1,0,0]=3 10748 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,1,0,0,0,1|1,0,0]=3 10749 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,1,0,0,0,1|1,0,0]=3 10750 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,1,0,0,0,1|1,0,0]=3 10751 B13R1.718 CCC(C)CNCc1ccccn1 207a_100020588543_100000209966 [0,1,0,0,0,1|2,0,0]=4 10752 B13R1.718 CCC(C)CNCc1ccccn1 2230a_100020588543_100000721315 [0,1,0,0,0,1|2,0,0]=4 10753 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100000210449_100000243153 [0,1,0,0,0,1|2,0,0]=4 10754 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100020588543_100000209966 [0,1,0,0,0,1|2,0,0]=4 10755 B13R1.718 CCC(C)CNCc1cccnc1 207a_100020588543_100000209961 [0,1,0,0,0,1|2,0,0]=4 10756 B13R1.718 CCC(C)CNCc1cccnc1 2230a_100020588543_100000741622 [0,1,0,0,0,1|2,0,0]=4 10757 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100000210453_100000243153 [0,1,0,0,0,1|2,0,0]=4 10758 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100020588543_100000209961 [0,1,0,0,0,1|2,0,0]=4 10759 B13R1.718 CCC(C)CNCc1ccncc1 207a_100020588543_100000186114 [0,1,0,0,0,1|2,0,0]=4 10760 B13R1.718 CCC(C)CNCc1ccncc1 2230a_100020588543_100015193705 [0,1,0,0,0,1|2,0,0]=4 10761 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,1,0,0,0,1|1,0,0]=3 10762 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,1,0,0,0,1|1,0,0]=3 10763 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,1,0,0,0,1|1,0,0]=3 10764 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,1,0,0,0,1|1,0,0]=3 10765 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000721315_100000748023 [0,1,0,0,0,1|2,0,0]=4 10766 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000748023_100000721315 [0,1,0,0,0,1|2,0,0]=4 10767 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000741622_100000748023 [0,1,0,0,0,1|2,0,0]=4 10768 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000748023_100000741622 [0,1,0,0,0,1|2,0,0]=4 10769 B13R1.718 CCC(C)CSCc1ccncc1 62a_100000748023_100015193705 [0,1,0,0,0,1|2,0,0]=4 10770 B13R1.718 CCC(C)CSCc1ccncc1 62a_100015193705_100000748023 [0,1,0,0,0,1|2,0,0]=4 10771 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,1,0,0,0,1|1,0,0]=3 10772 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,1,0,0,0,1|1,0,0]=3 10773 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,1,0,0,0,1|1,0,0]=3 10774 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [0,1,0,0,0,1|2,0,0]=4 10775 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [0,1,0,0,0,1|2,0,0]=4 10776 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [0,1,0,0,0,1|2,0,0]=4 10777 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [0,1,0,0,0,1|2,0,0]=4 10778 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [0,1,0,0,0,1|2,0,0]=4 10779 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,1,0,0,0,1|1,0,0]=3 10780 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,1,0,0,0,1|1,0,0]=3 10781 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,1,0,0,0,1|1,0,0]=3 10782 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [0,1,0,0,0,1|2,0,0]=4 10783 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [0,1,0,0,0,1|2,0,0]=4 10784 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [0,1,0,0,0,1|2,0,0]=4 10785 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [0,1,0,0,0,1|2,0,0]=4 10786 B13R1.718 CCC(C)OCCc1ccncc1 34a_100011216225_100011215416 [0,1,0,0,0,1|2,0,0]=4 10787 B13R1.718 CCC(C)OCCc1ccncc1 7a_100000210228_100000723409 [0,1,0,0,0,1|2,0,0]=4 10788 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,1,0,0,0,1|1,0,0]=3 10789 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,1,0,0,0,1|1,0,0]=3 10790 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [0,1,0,0,0,1|2,0,0]=4 10791 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [0,1,0,0,0,1|2,0,0]=4 10792 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [0,1,0,0,0,1|2,0,0]=4 10793 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [0,1,0,0,0,1|2,0,0]=4 10794 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000723409_100000758301 [0,1,0,0,0,1|2,0,0]=4 10795 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000758301_100000723409 [0,1,0,0,0,1|2,0,0]=4 10796 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [0,1,0,0,0,1|2,0,0]=4 10797 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [0,1,0,0,0,1|2,0,0]=4 10798 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,1,0,0,0,1|0,0,0]=2 10799 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,1,0,0,0,1|0,0,0]=2 10800 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,1,0,0,0,1|0,0,0]=2 10801 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,1,0,0,0,1|0,0,0]=2 10802 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,1,0,0,0,1|0,0,0]=2 10803 B13R1.718 CCC(O)CNCc1ccccn1 207a_100011218483_100000209966 [0,1,0,0,0,1|1,0,0]=3 10804 B13R1.718 CCC(O)CNCc1ccccn1 2230a_100011218483_100000721315 [0,1,0,0,0,1|1,0,0]=3 10805 B13R1.718 CCC(O)CNCc1ccccn1 270004a_100011218483_100000209966 [0,1,0,0,0,1|1,0,0]=3 10806 B13R1.718 CCC(O)CNCc1cccnc1 207a_100011218483_100000209961 [0,1,0,0,0,1|1,0,0]=3 10807 B13R1.718 CCC(O)CNCc1cccnc1 2230a_100011218483_100000741622 [0,1,0,0,0,1|1,0,0]=3 10808 B13R1.718 CCC(O)CNCc1cccnc1 270004a_100011218483_100000209961 [0,1,0,0,0,1|1,0,0]=3 10809 B13R1.718 CCC(O)CNCc1cccnn1 2230a_100011218483_100016990269 [0,1,0,0,0,1|2,0,0]=4 10810 B13R1.718 CCC(O)CNCc1cccnn1 2230a_100159270163_100011218378 [0,1,0,0,0,1|2,0,0]=4 10811 B13R1.718 CCC(O)CNCc1ccncc1 207a_100011218483_100000186114 [0,1,0,0,0,1|1,0,0]=3 10812 B13R1.718 CCC(O)CNCc1ccncc1 2230a_100011218483_100015193705 [0,1,0,0,0,1|1,0,0]=3 10813 B13R1.718 CCC(O)CNCc1ccnnc1 270004a_100011218483_100011934578 [0,1,0,0,0,1|2,0,0]=4 10814 B13R1.718 CCC(O)CNCc1cnccn1 2230a_100011218483_100016995436 [0,1,0,0,0,1|2,0,0]=4 10815 B13R1.718 CCC(O)CNCc1cnccn1 270004a_100011218483_100000749867 [0,1,0,0,0,1|2,0,0]=4 10816 B13R1.718 CCC(O)CNCc1cncnc1 2230a_100011218483_100015196519 [0,1,0,0,0,1|2,0,0]=4 10817 B13R1.718 CCC(O)CNCc1cncnc1 2230a_100011243677_100011218378 [0,1,0,0,0,1|2,0,0]=4 10818 B13R1.718 CCC(O)CNCc1cncnc1 270004a_100011218483_100000749868 [0,1,0,0,0,1|2,0,0]=4 10819 B13R1.718 CCC(O)CNCc1ncccn1 2230a_100011218483_100000703007 [0,1,0,0,0,1|2,0,0]=4 10820 B13R1.718 CCC(O)CNCc1ncccn1 270004a_100011218483_100011532527 [0,1,0,0,0,1|2,0,0]=4 10821 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,1,0,0,0,1|0,0,0]=2 10822 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,1,0,0,0,1|0,0,0]=2 10823 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,1,0,0,0,1|0,0,0]=2 10824 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,1,0,0,0,1|0,0,0]=2 10825 B13R1.718 CCC(O)CSCc1ccccn1 62a_100000721315_100011218378 [0,1,0,0,0,1|1,0,0]=3 10826 B13R1.718 CCC(O)CSCc1ccccn1 62a_100011218378_100000721315 [0,1,0,0,0,1|1,0,0]=3 10827 B13R1.718 CCC(O)CSCc1cccnc1 62a_100000741622_100011218378 [0,1,0,0,0,1|1,0,0]=3 10828 B13R1.718 CCC(O)CSCc1cccnc1 62a_100011218378_100000741622 [0,1,0,0,0,1|1,0,0]=3 10829 B13R1.718 CCC(O)CSCc1cccnn1 62a_100011218378_100016990269 [0,1,0,0,0,1|2,0,0]=4 10830 B13R1.718 CCC(O)CSCc1cccnn1 62a_100016990269_100011218378 [0,1,0,0,0,1|2,0,0]=4 10831 B13R1.718 CCC(O)CSCc1ccncc1 62a_100011218378_100015193705 [0,1,0,0,0,1|1,0,0]=3 10832 B13R1.718 CCC(O)CSCc1ccncc1 62a_100015193705_100011218378 [0,1,0,0,0,1|1,0,0]=3 10833 B13R1.718 CCC(O)CSCc1cnccn1 62a_100011218378_100016995436 [0,1,0,0,0,1|2,0,0]=4 10834 B13R1.718 CCC(O)CSCc1cnccn1 62a_100016995436_100011218378 [0,1,0,0,0,1|2,0,0]=4 10835 B13R1.718 CCC(O)CSCc1cncnc1 62a_100011218378_100015196519 [0,1,0,0,0,1|2,0,0]=4 10836 B13R1.718 CCC(O)CSCc1cncnc1 62a_100015196519_100011218378 [0,1,0,0,0,1|2,0,0]=4 10837 B13R1.718 CCC(O)CSCc1ncccn1 62a_100000703007_100011218378 [0,1,0,0,0,1|2,0,0]=4 10838 B13R1.718 CCC(O)CSCc1ncccn1 62a_100011218378_100000703007 [0,1,0,0,0,1|2,0,0]=4 10839 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,1,0,0,0,1|2,0,0]=4 10840 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,1,0,0,0,1|2,0,0]=4 10841 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,1,0,0,0,1|2,0,0]=4 10842 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,1,0,0,0,1|2,0,0]=4 10843 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [0,1,0,0,0,1|2,0,0]=4 10844 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [0,1,0,0,0,1|2,0,0]=4 10845 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [0,1,0,0,0,1|2,0,0]=4 10846 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [0,1,0,0,0,1|2,0,0]=4 10847 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [0,1,0,0,0,1|2,0,0]=4 10848 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [0,1,0,0,0,1|2,0,0]=4 10849 B13R1.718 CCN(C)CCSc1ccccc1 2230a_100000225621_100000246102 [0,1,0,0,0,1|2,0,0]=4 10850 B13R1.718 CCN(C)CCSc1ccccc1 269982a_100000225621_100000246102 [0,1,0,0,0,1|2,0,0]=4 10851 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [0,1,0,0,0,1|2,0,0]=4 10852 B13R1.718 CCN(C)CSCc1ccccc1 2230a_100000225621_200011217039 [0,1,0,0,0,1|2,0,0]=4 10853 B13R1.718 CCN(C)CSCc1ccccc1 269982a_100000225621_200011217039 [0,1,0,0,0,1|2,0,0]=4 10854 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [0,1,0,0,0,1|2,0,0]=4 10855 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [0,1,0,0,0,1|2,0,0]=4 10856 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,1,0,0,0,1|1,0,0]=3 10857 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,1,0,0,0,1|1,0,0]=3 10858 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,1,0,0,0,1|1,0,0]=3 10859 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,1,0,0,0,1|1,0,0]=3 10860 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,1,0,0,0,1|1,0,0]=3 10861 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,1,0,0,0,1|2,0,0]=4 10862 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,1,0,0,0,1|2,0,0]=4 10863 B13R1.718 CC[C@H](C)COCc1ccncc1 7a_100009816381_100015193705 [0,1,0,0,0,1|2,0,0]=4 10864 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,1,0,0,0,1|1,0,0]=3 10865 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,1,0,0,0,1|1,0,0]=3 10866 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100000721315_100009816398 [0,1,0,0,0,1|2,0,0]=4 10867 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100009816398_100000721315 [0,1,0,0,0,1|2,0,0]=4 10868 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100000741622_100009816398 [0,1,0,0,0,1|2,0,0]=4 10869 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100009816398_100000741622 [0,1,0,0,0,1|2,0,0]=4 10870 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100009816398_100015193705 [0,1,0,0,0,1|2,0,0]=4 10871 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100015193705_100009816398 [0,1,0,0,0,1|2,0,0]=4 10872 B13R1.718 CN(CF)CCCc1ccccc1 269982a_100000693637_100015361967 [0,1,0,0,0,1|2,0,0]=4 10873 B13R1.718 CN(CF)CCOc1ccccc1 269982a_100000184383_100015361967 [0,1,0,0,0,1|2,0,0]=4 10874 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,0,0,0,1|0,0,2]=4 10875 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,0,0,0,1|0,0,2]=4 10876 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,0,0,0,1|0,0,2]=4 10877 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,0,0,0,1|0,0,2]=4 10878 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,1,0,0,0,1|0,0,2]=4 10879 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,1,0,0,0,1|0,0,2]=4 10880 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,1,0,0,0,1|0,0,2]=4 10881 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,1,0,0,0,1|0,0,2]=4 10882 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,1,0,0,0,1|0,0,2]=4 10883 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,1,0,0,0,1|0,0,2]=4 10884 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,1,0,0,0,1|0,0,2]=4 10885 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,1,0,0,0,1|0,0,2]=4 10886 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,1,0,0,0,1|0,0,2]=4 10887 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,1,0,0,0,1|0,0,2]=4 10888 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,1,0,0,0,1|0,0,2]=4 10889 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,1,0,0,0,1|0,0,2]=4 10890 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,1,0,0,0,1|0,0,2]=4 10891 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,1,0,0,0,1|0,0,2]=4 10892 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,1,0,0,0,1|0,0,2]=4 10893 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,1,0,0,0,1|0,0,2]=4 10894 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,1,0,0,0,1|0,0,2]=4 10895 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,1,0,0,0,1|0,0,2]=4 10896 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,1,0,0,0,1|0,0,2]=4 10897 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,1,0,0,0,1|0,0,2]=4 10898 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,1,0,0,0,1|0,0,2]=4 10899 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,1,0,0,0,1|0,0,2]=4 10900 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,1,0,0,0,1|0,0,2]=4 10901 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,1,0,0,0,1|0,0,2]=4 10902 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,1,0,0,0,1|0,0,2]=4 10903 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,1,0,0,0,1|0,0,2]=4 10904 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,1,0,0,0,1|0,0,2]=4 10905 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,1,0,0,0,1|0,0,2]=4 10906 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,1,0,0,0,1|0,0,2]=4 10907 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,1,0,0,0,1|0,0,2]=4 10908 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,1,0,0,0,1|0,0,2]=4 10909 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,1,0,0,0,1|0,0,2]=4 10910 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,1,0,0,0,1|0,0,2]=4 10911 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,1,0,0,0,1|0,0,2]=4 10912 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,1,0,0,0,1|0,0,2]=4 10913 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,1,0,0,0,1|1,0,0]=3 10914 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,1,0,0,0,1|1,0,0]=3 10915 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,1,0,0,0,1|1,0,0]=3 10916 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,1,0,0,0,1|1,0,0]=3 10917 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [0,1,0,0,0,1|1,0,0]=3 10918 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,1,0,0,0,1|0,0,2]=4 10919 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,1,0,0,0,1|0,0,2]=4 10920 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,1,0,0,0,1|0,0,2]=4 10921 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,1,0,0,0,1|0,0,2]=4 10922 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,1,0,0,0,1|0,0,2]=4 10923 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,1,0,0,0,1|0,0,2]=4 10924 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,1,0,0,0,1|0,0,2]=4 10925 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,0,0,0,1|0,0,2]=4 10926 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,0,0,0,1|0,0,2]=4 10927 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,1,0,0,0,1|0,0,2]=4 10928 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,1,0,0,0,1|0,0,2]=4 10929 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,1,0,0,0,1|0,0,0]=2 10930 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,1,0,0,0,1|0,0,0]=2 10931 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,1,0,0,0,1|0,0,0]=2 10932 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,1,0,0,0,1|0,0,0]=2 10933 B13R1.718 COC(C)COCc1ccccn1 34a_100000690652_100000721315 [0,1,0,0,0,1|1,0,0]=3 10934 B13R1.718 COC(C)COCc1cccnc1 34a_100000690652_100000733263 [0,1,0,0,0,1|1,0,0]=3 10935 B13R1.718 COC(C)COCc1cccnn1 34a_100000690652_100016990269 [0,1,0,0,0,1|2,0,0]=4 10936 B13R1.718 COC(C)COCc1cnccn1 34a_100000690652_100016995436 [0,1,0,0,0,1|2,0,0]=4 10937 B13R1.718 COC(C)COCc1cncnc1 34a_100000690652_100015196519 [0,1,0,0,0,1|2,0,0]=4 10938 B13R1.718 COC(C)COCc1ncccn1 34a_100000690652_100000703007 [0,1,0,0,0,1|2,0,0]=4 10939 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,1,0,0,0,1|0,0,0]=2 10940 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,1,0,0,0,1|0,0,0]=2 10941 B13R1.718 COC(C)SCCc1ccccn1 62a_100009879195_100015183660 [0,1,0,0,0,1|1,0,0]=3 10942 B13R1.718 COC(C)SCCc1ccccn1 62a_100015183660_100009879195 [0,1,0,0,0,1|1,0,0]=3 10943 B13R1.718 COC(C)SCCc1cccnc1 62a_100009879195_200011713674 [0,1,0,0,0,1|1,0,0]=3 10944 B13R1.718 COC(C)SCCc1cccnc1 62a_200011713674_100009879195 [0,1,0,0,0,1|1,0,0]=3 10945 B13R1.718 COC(C)SCCc1ccncc1 62a_100000723409_100009879195 [0,1,0,0,0,1|1,0,0]=3 10946 B13R1.718 COC(C)SCCc1ccncc1 62a_100009879195_100000723409 [0,1,0,0,0,1|1,0,0]=3 10947 B13R1.718 COC(C)SCSc1ccccc1 62a_100009879195_100011218342 [0,1,0,0,0,1|1,0,0]=3 10948 B13R1.718 COC(C)SCSc1ccccc1 62a_100011218342_100009879195 [0,1,0,0,0,1|1,0,0]=3 10949 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,1,0,0,0,1|0,0,0]=2 10950 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,1,0,0,0,1|0,0,0]=2 10951 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,1,0,0,0,1|0,0,0]=2 10952 B13R1.718 CO[C@H](C)CNCc1ccccn1 207a_100020591295_100000209966 [0,1,0,0,0,1|1,0,0]=3 10953 B13R1.718 CO[C@H](C)CNCc1ccccn1 2230a_100020591295_100000721315 [0,1,0,0,0,1|1,0,0]=3 10954 B13R1.718 CO[C@H](C)CNCc1ccccn1 270004a_100020591295_100000209966 [0,1,0,0,0,1|1,0,0]=3 10955 B13R1.718 CO[C@H](C)CNCc1cccnc1 207a_100020591295_100000209961 [0,1,0,0,0,1|1,0,0]=3 10956 B13R1.718 CO[C@H](C)CNCc1cccnc1 2230a_100020591295_100000741622 [0,1,0,0,0,1|1,0,0]=3 10957 B13R1.718 CO[C@H](C)CNCc1cccnc1 270004a_100020591295_100000209961 [0,1,0,0,0,1|1,0,0]=3 10958 B13R1.718 CO[C@H](C)CNCc1cccnn1 2230a_100020591295_100016990269 [0,1,0,0,0,1|2,0,0]=4 10959 B13R1.718 CO[C@H](C)CNCc1ccncc1 207a_100020591295_100000186114 [0,1,0,0,0,1|1,0,0]=3 10960 B13R1.718 CO[C@H](C)CNCc1ccncc1 2230a_100020591295_100015193705 [0,1,0,0,0,1|1,0,0]=3 10961 B13R1.718 CO[C@H](C)CNCc1ccnnc1 270004a_100020591295_100011934578 [0,1,0,0,0,1|2,0,0]=4 10962 B13R1.718 CO[C@H](C)CNCc1cnccn1 2230a_100020591295_100016995436 [0,1,0,0,0,1|2,0,0]=4 10963 B13R1.718 CO[C@H](C)CNCc1cnccn1 270004a_100020591295_100000749867 [0,1,0,0,0,1|2,0,0]=4 10964 B13R1.718 CO[C@H](C)CNCc1cncnc1 2230a_100020591295_100015196519 [0,1,0,0,0,1|2,0,0]=4 10965 B13R1.718 CO[C@H](C)CNCc1cncnc1 270004a_100020591295_100000749868 [0,1,0,0,0,1|2,0,0]=4 10966 B13R1.718 CO[C@H](C)CNCc1ncccn1 2230a_100020591295_100000703007 [0,1,0,0,0,1|2,0,0]=4 10967 B13R1.718 CO[C@H](C)CNCc1ncccn1 270004a_100020591295_100011532527 [0,1,0,0,0,1|2,0,0]=4 10968 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,1,0,0,0,1|0,1,0]=3 10969 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,1,0,0,0,1|0,1,0]=3 10970 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,1,0,0,0,1|0,0,0]=2 10971 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,1,0,0,0,1|0,0,0]=2 10972 B13R1.718 C[C@@H](CO)CNCc1cccnn1 2230a_100159270163_100000059175 [0,1,0,0,0,1|2,0,0]=4 10973 B13R1.718 C[C@@H](CO)CNCc1cncnc1 2230a_100011243677_100000059175 [0,1,0,0,0,1|2,0,0]=4 10974 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,1,0,0,0,1|0,0,0]=2 10975 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,1,0,0,0,1|0,0,0]=2 10976 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,1,0,0,0,1|0,0,0]=2 10977 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,1,0,0,0,1|0,0,0]=2 10978 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000059175_100000721315 [0,1,0,0,0,1|1,0,0]=3 10979 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000721315_100000059175 [0,1,0,0,0,1|1,0,0]=3 10980 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000059175_100000741622 [0,1,0,0,0,1|1,0,0]=3 10981 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000741622_100000059175 [0,1,0,0,0,1|1,0,0]=3 10982 B13R1.718 C[C@@H](CO)CSCc1cccnn1 62a_100000059175_100016990269 [0,1,0,0,0,1|2,0,0]=4 10983 B13R1.718 C[C@@H](CO)CSCc1cccnn1 62a_100016990269_100000059175 [0,1,0,0,0,1|2,0,0]=4 10984 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100000059175_100015193705 [0,1,0,0,0,1|1,0,0]=3 10985 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100015193705_100000059175 [0,1,0,0,0,1|1,0,0]=3 10986 B13R1.718 C[C@@H](CO)CSCc1cnccn1 62a_100000059175_100016995436 [0,1,0,0,0,1|2,0,0]=4 10987 B13R1.718 C[C@@H](CO)CSCc1cnccn1 62a_100016995436_100000059175 [0,1,0,0,0,1|2,0,0]=4 10988 B13R1.718 C[C@@H](CO)CSCc1cncnc1 62a_100000059175_100015196519 [0,1,0,0,0,1|2,0,0]=4 10989 B13R1.718 C[C@@H](CO)CSCc1cncnc1 62a_100015196519_100000059175 [0,1,0,0,0,1|2,0,0]=4 10990 B13R1.718 C[C@@H](CO)CSCc1ncccn1 62a_100000059175_100000703007 [0,1,0,0,0,1|2,0,0]=4 10991 B13R1.718 C[C@@H](CO)CSCc1ncccn1 62a_100000703007_100000059175 [0,1,0,0,0,1|2,0,0]=4 10992 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,1,0,0,0,1|0,0,0]=2 10993 B13R1.718 C[C@H](CO)NCCc1ccccn1 2230a_100000737577_100015183660 [0,1,0,0,0,1|1,0,0]=3 10994 B13R1.718 C[C@H](CO)NCCc1cccnc1 2230a_100000737577_200011713674 [0,1,0,0,0,1|1,0,0]=3 10995 B13R1.718 C[C@H](CO)NCCc1ccncc1 2230a_100000737577_100000723409 [0,1,0,0,0,1|1,0,0]=3 10996 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [0,1,0,0,0,1|1,0,0]=3 10997 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,1,0,0,0,1|0,0,0]=2 10998 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,1,0,0,0,1|0,0,0]=2 10999 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100015183660_100016084084 [0,1,0,0,0,1|1,0,0]=3 11000 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100016084084_100015183660 [0,1,0,0,0,1|1,0,0]=3 11001 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_100016084084_200011713674 [0,1,0,0,0,1|1,0,0]=3 11002 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_200011713674_100016084084 [0,1,0,0,0,1|1,0,0]=3 11003 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100000723409_100016084084 [0,1,0,0,0,1|1,0,0]=3 11004 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100016084084_100000723409 [0,1,0,0,0,1|1,0,0]=3 11005 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [0,1,0,0,0,1|1,0,0]=3 11006 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [0,1,0,0,0,1|1,0,0]=3 11007 B13R1.718 ClCC(Cl)COCc1ccccc1 34a_100000033668_100015291786 [0,1,0,0,0,1|1,0,0]=3 11008 B13R1.718 ClCC(Cl)COCc1ccccn1 34a_100000033668_100000721315 [0,1,0,0,0,1|2,0,0]=4 11009 B13R1.718 ClCC(Cl)COCc1cccnc1 34a_100000033668_100000733263 [0,1,0,0,0,1|2,0,0]=4 11010 B13R1.718 N#CC(F)SCCc1ccccc1 62a_100000765856_200000117898 [0,1,0,0,0,1|1,0,1]=4 11011 B13R1.718 N#CC(F)SCCc1ccccc1 62a_200000117898_100011218657 [0,1,0,0,0,1|1,0,1]=4 11012 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [0,1,0,0,0,1|1,0,0]=3 11013 B13R1.718 NC[C@@H](F)COCc1ccccn1 34a_100015665980_100000721315 [0,1,0,0,0,1|2,0,0]=4 11014 B13R1.718 NC[C@@H](F)COCc1cccnc1 34a_100015665980_100000733263 [0,1,0,0,0,1|2,0,0]=4 11015 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,1,0,0,0,1|0,0,2]=4 11016 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,1,0,0,0,1|0,0,2]=4 11017 B13R1.718 O=C(CF)CCSc1ccccc1 1458a_100000182436_100015361967 [0,1,0,0,0,1|0,0,2]=4 11018 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,1,0,0,0,1|0,0,2]=4 11019 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,1,0,0,0,1|0,0,2]=4 11020 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,1|0,0,2]=4 11021 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,1,0,0,0,1|0,0,2]=4 11022 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,1,0,0,0,1|0,0,2]=4 11023 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,1|0,0,2]=4 11024 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,1|0,0,2]=4 11025 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,1|0,0,2]=4 11026 B13R1.718 OCC(O)C=NNc1ccccc1 4a_100015195140_100000033539 [0,1,0,0,0,1|1,0,1]=4 11027 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,1,0,0,0,1|0,0,0]=2 11028 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,1,0,0,0,1|0,0,0]=2 11029 B13R1.718 OCC(O)CNCc1cccnn1 2230a_100159270163_100011219619 [0,1,0,0,0,1|2,0,0]=4 11030 B13R1.718 OCC(O)CNCc1cncnc1 2230a_100011243677_100011219619 [0,1,0,0,0,1|2,0,0]=4 11031 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,1,0,0,0,1|0,0,0]=2 11032 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,1,0,0,0,1|0,0,0]=2 11033 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,1,0,0,0,1|0,0,0]=2 11034 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,1,0,0,0,1|0,0,0]=2 11035 B13R1.718 OCC(O)CSCc1ccccn1 62a_100000721315_100011219619 [0,1,0,0,0,1|1,0,0]=3 11036 B13R1.718 OCC(O)CSCc1ccccn1 62a_100011219619_100000721315 [0,1,0,0,0,1|1,0,0]=3 11037 B13R1.718 OCC(O)CSCc1cccnc1 62a_100000741622_100011219619 [0,1,0,0,0,1|1,0,0]=3 11038 B13R1.718 OCC(O)CSCc1cccnc1 62a_100011219619_100000741622 [0,1,0,0,0,1|1,0,0]=3 11039 B13R1.718 OCC(O)CSCc1cccnn1 62a_100011219619_100016990269 [0,1,0,0,0,1|2,0,0]=4 11040 B13R1.718 OCC(O)CSCc1cccnn1 62a_100016990269_100011219619 [0,1,0,0,0,1|2,0,0]=4 11041 B13R1.718 OCC(O)CSCc1ccncc1 62a_100011219619_100015193705 [0,1,0,0,0,1|1,0,0]=3 11042 B13R1.718 OCC(O)CSCc1ccncc1 62a_100015193705_100011219619 [0,1,0,0,0,1|1,0,0]=3 11043 B13R1.718 OCC(O)CSCc1cnccn1 62a_100011219619_100016995436 [0,1,0,0,0,1|2,0,0]=4 11044 B13R1.718 OCC(O)CSCc1cnccn1 62a_100016995436_100011219619 [0,1,0,0,0,1|2,0,0]=4 11045 B13R1.718 OCC(O)CSCc1cncnc1 62a_100011219619_100015196519 [0,1,0,0,0,1|2,0,0]=4 11046 B13R1.718 OCC(O)CSCc1cncnc1 62a_100015196519_100011219619 [0,1,0,0,0,1|2,0,0]=4 11047 B13R1.718 OCC(O)CSCc1ncccn1 62a_100000703007_100011219619 [0,1,0,0,0,1|2,0,0]=4 11048 B13R1.718 OCC(O)CSCc1ncccn1 62a_100011219619_100000703007 [0,1,0,0,0,1|2,0,0]=4 11049 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,1,0,0,0,1|0,0,0]=2 11050 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,1,0,0,0,1|0,0,0]=2 11051 B13R1.718 OC[C@@H](O)CNCc1ccccn1 207a_100020644852_100000209966 [0,1,0,0,0,1|1,0,0]=3 11052 B13R1.718 OC[C@@H](O)CNCc1ccccn1 2230a_100020644852_100000721315 [0,1,0,0,0,1|1,0,0]=3 11053 B13R1.718 OC[C@@H](O)CNCc1cccnc1 207a_100020644852_100000209961 [0,1,0,0,0,1|1,0,0]=3 11054 B13R1.718 OC[C@@H](O)CNCc1cccnc1 2230a_100020644852_100000741622 [0,1,0,0,0,1|1,0,0]=3 11055 B13R1.718 OC[C@@H](O)CNCc1cccnn1 2230a_100020644852_100016990269 [0,1,0,0,0,1|2,0,0]=4 11056 B13R1.718 OC[C@@H](O)CNCc1ccncc1 207a_100020644852_100000186114 [0,1,0,0,0,1|1,0,0]=3 11057 B13R1.718 OC[C@@H](O)CNCc1ccncc1 2230a_100020644852_100015193705 [0,1,0,0,0,1|1,0,0]=3 11058 B13R1.718 OC[C@@H](O)CNCc1cnccn1 2230a_100020644852_100016995436 [0,1,0,0,0,1|2,0,0]=4 11059 B13R1.718 OC[C@@H](O)CNCc1cncnc1 2230a_100020644852_100015196519 [0,1,0,0,0,1|2,0,0]=4 11060 B13R1.718 OC[C@@H](O)CNCc1ncccn1 2230a_100020644852_100000703007 [0,1,0,0,0,1|2,0,0]=4 11061 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,1,0,0,0,1|1,0,0]=3 11062 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,1,0,0,0,1|1,0,0]=3 11063 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,1,0,0,0,1|1,0,0]=3 11064 B13R1.718 OC[C@H](F)CNCc1ccccn1 207a_100015665980_100000209966 [0,1,0,0,0,1|2,0,0]=4 11065 B13R1.718 OC[C@H](F)CNCc1ccccn1 270004a_100015665980_100000209966 [0,1,0,0,0,1|2,0,0]=4 11066 B13R1.718 OC[C@H](F)CNCc1ccccn1 34a_100015665980_100000721315 [0,1,0,0,0,1|2,0,0]=4 11067 B13R1.718 OC[C@H](F)CNCc1cccnc1 207a_100015665980_100000209961 [0,1,0,0,0,1|2,0,0]=4 11068 B13R1.718 OC[C@H](F)CNCc1cccnc1 270004a_100015665980_100000209961 [0,1,0,0,0,1|2,0,0]=4 11069 B13R1.718 OC[C@H](F)CNCc1cccnc1 34a_100015665980_100000733263 [0,1,0,0,0,1|2,0,0]=4 11070 B13R1.718 OC[C@H](F)CNCc1ccncc1 207a_100015665980_100000186114 [0,1,0,0,0,1|2,0,0]=4 11071 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,1,0,0,0,1|0,0,0]=2 11072 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,1,0,0,0,1|0,0,0]=2 11073 B13R1.718 OC[C@H](O)CNCc1cccnn1 2230a_100159270163_100009815848 [0,1,0,0,0,1|2,0,0]=4 11074 B13R1.718 OC[C@H](O)CNCc1cncnc1 2230a_100011243677_100009815848 [0,1,0,0,0,1|2,0,0]=4 11075 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,1,0,0,0,1|0,0,0]=2 11076 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,1,0,0,0,1|0,0,0]=2 11077 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,1,0,0,0,1|0,0,0]=2 11078 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,1,0,0,0,1|0,0,0]=2 11079 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100000721315_100009815848 [0,1,0,0,0,1|1,0,0]=3 11080 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100009815848_100000721315 [0,1,0,0,0,1|1,0,0]=3 11081 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100000741622_100009815848 [0,1,0,0,0,1|1,0,0]=3 11082 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100009815848_100000741622 [0,1,0,0,0,1|1,0,0]=3 11083 B13R1.718 OC[C@H](O)CSCc1cccnn1 62a_100009815848_100016990269 [0,1,0,0,0,1|2,0,0]=4 11084 B13R1.718 OC[C@H](O)CSCc1cccnn1 62a_100016990269_100009815848 [0,1,0,0,0,1|2,0,0]=4 11085 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100009815848_100015193705 [0,1,0,0,0,1|1,0,0]=3 11086 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100015193705_100009815848 [0,1,0,0,0,1|1,0,0]=3 11087 B13R1.718 OC[C@H](O)CSCc1cnccn1 62a_100009815848_100016995436 [0,1,0,0,0,1|2,0,0]=4 11088 B13R1.718 OC[C@H](O)CSCc1cnccn1 62a_100016995436_100009815848 [0,1,0,0,0,1|2,0,0]=4 11089 B13R1.718 OC[C@H](O)CSCc1cncnc1 62a_100009815848_100015196519 [0,1,0,0,0,1|2,0,0]=4 11090 B13R1.718 OC[C@H](O)CSCc1cncnc1 62a_100015196519_100009815848 [0,1,0,0,0,1|2,0,0]=4 11091 B13R1.718 OC[C@H](O)CSCc1ncccn1 62a_100000703007_100009815848 [0,1,0,0,0,1|2,0,0]=4 11092 B13R1.718 OC[C@H](O)CSCc1ncccn1 62a_100009815848_100000703007 [0,1,0,0,0,1|2,0,0]=4 11093 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,1,0,0,0,1|0,0,0]=2 11094 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,1,0,0,0,1|0,0,0]=2 11095 B13R1.718 O[C@@H](CF)CNCc1cccnn1 2230a_100159270163_100015614560 [0,1,0,0,0,1|2,0,0]=4 11096 B13R1.718 O[C@@H](CF)CNCc1cncnc1 2230a_100011243677_100015614560 [0,1,0,0,0,1|2,0,0]=4 11097 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,1,0,0,0,1|0,0,0]=2 11098 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,1,0,0,0,1|0,0,0]=2 11099 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [0,1,0,0,0,1|0,0,0]=2 11100 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [0,1,0,0,0,1|0,0,0]=2 11101 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100000721315_100015614560 [0,1,0,0,0,1|1,0,0]=3 11102 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100015614560_100000721315 [0,1,0,0,0,1|1,0,0]=3 11103 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100000741622_100015614560 [0,1,0,0,0,1|1,0,0]=3 11104 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100015614560_100000741622 [0,1,0,0,0,1|1,0,0]=3 11105 B13R1.718 O[C@@H](CF)CSCc1cccnn1 62a_100015614560_100016990269 [0,1,0,0,0,1|2,0,0]=4 11106 B13R1.718 O[C@@H](CF)CSCc1cccnn1 62a_100016990269_100015614560 [0,1,0,0,0,1|2,0,0]=4 11107 B13R1.718 O[C@@H](CF)CSCc1ccncc1 62a_100015193705_100015614560 [0,1,0,0,0,1|1,0,0]=3 11108 B13R1.718 O[C@@H](CF)CSCc1ccncc1 62a_100015614560_100015193705 [0,1,0,0,0,1|1,0,0]=3 11109 B13R1.718 O[C@@H](CF)CSCc1cnccn1 62a_100015614560_100016995436 [0,1,0,0,0,1|2,0,0]=4 11110 B13R1.718 O[C@@H](CF)CSCc1cnccn1 62a_100016995436_100015614560 [0,1,0,0,0,1|2,0,0]=4 11111 B13R1.718 O[C@@H](CF)CSCc1cncnc1 62a_100015196519_100015614560 [0,1,0,0,0,1|2,0,0]=4 11112 B13R1.718 O[C@@H](CF)CSCc1cncnc1 62a_100015614560_100015196519 [0,1,0,0,0,1|2,0,0]=4 11113 B13R1.718 O[C@@H](CF)CSCc1ncccn1 62a_100000703007_100015614560 [0,1,0,0,0,1|2,0,0]=4 11114 B13R1.718 O[C@@H](CF)CSCc1ncccn1 62a_100015614560_100000703007 [0,1,0,0,0,1|2,0,0]=4 11115 B13R1.3523 CC(C)(C)CCNc1ccccc1 34a_100000106764_100000755188 [0,1,0,0,0,1|1,0,0]=3 11116 B13R1.3523 CC(C)(C)CCOc1ccccc1 34a_100000210340_100000755188 [0,1,0,0,0,1|1,0,0]=3 11117 B13R1.3523 CC(C)(C)CCOc1ccccc1 7a_100000210340_100000755188 [0,1,0,0,0,1|1,0,0]=3 11118 B13R1.3523 CC(C)(C)CCOc1cccnc1 34a_100000210849_100000755188 [0,1,0,0,0,1|2,0,0]=4 11119 B13R1.3523 CC(C)(C)CCOc1cccnc1 7a_100000210849_100000755188 [0,1,0,0,0,1|2,0,0]=4 11120 B13R1.3523 CC(C)(C)CCOc1ccncc1 34a_100000212176_100000755188 [0,1,0,0,0,1|2,0,0]=4 11121 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000719477_100000755188 [0,1,0,0,0,1|1,0,0]=3 11122 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000755188_100000041952 [0,1,0,0,0,1|1,0,0]=3 11123 B13R1.3523 CC(C)(C)CCSc1ccccn1 62a_100000755188_100011216584 [0,1,0,0,0,1|2,0,0]=4 11124 B13R1.3523 CC(C)(C)CCSc1ccccn1 62a_100011216584_100000755188 [0,1,0,0,0,1|2,0,0]=4 11125 B13R1.3523 CC(C)(C)CCSc1cccnc1 62a_100000210063_100000755188 [0,1,0,0,0,1|2,0,0]=4 11126 B13R1.3523 CC(C)(C)CCSc1cccnc1 62a_100000755188_100000210063 [0,1,0,0,0,1|2,0,0]=4 11127 B13R1.3523 CC(C)(C)CCSc1ccncc1 62a_100000728582_100000755188 [0,1,0,0,0,1|2,0,0]=4 11128 B13R1.3523 CC(C)(C)CCSc1ccncc1 62a_100000755188_100000728582 [0,1,0,0,0,1|2,0,0]=4 11129 B13R1.3523 CC(C)(C)CNCc1ccccc1 207a_100000743828_100015611070 [0,1,0,0,0,1|1,0,0]=3 11130 B13R1.3523 CC(C)(C)CNCc1ccccc1 2230a_100000743828_100015291786 [0,1,0,0,0,1|1,0,0]=3 11131 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100000743828_100015611070 [0,1,0,0,0,1|1,0,0]=3 11132 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100015324214_100011204126 [0,1,0,0,0,1|1,0,0]=3 11133 B13R1.3523 CC(C)(C)CNCc1ccccc1 34a_100015324214_100011219605 [0,1,0,0,0,1|1,0,0]=3 11134 B13R1.3523 CC(C)(C)CNCc1ccccn1 207a_100000743828_100000209966 [0,1,0,0,0,1|2,0,0]=4 11135 B13R1.3523 CC(C)(C)CNCc1ccccn1 2230a_100000743828_100000721315 [0,1,0,0,0,1|2,0,0]=4 11136 B13R1.3523 CC(C)(C)CNCc1ccccn1 270004a_100000210449_100011204126 [0,1,0,0,0,1|2,0,0]=4 11137 B13R1.3523 CC(C)(C)CNCc1ccccn1 270004a_100000743828_100000209966 [0,1,0,0,0,1|2,0,0]=4 11138 B13R1.3523 CC(C)(C)CNCc1cccnc1 207a_100000743828_100000209961 [0,1,0,0,0,1|2,0,0]=4 11139 B13R1.3523 CC(C)(C)CNCc1cccnc1 2230a_100000743828_100000741622 [0,1,0,0,0,1|2,0,0]=4 11140 B13R1.3523 CC(C)(C)CNCc1cccnc1 270004a_100000210453_100011204126 [0,1,0,0,0,1|2,0,0]=4 11141 B13R1.3523 CC(C)(C)CNCc1cccnc1 270004a_100000743828_100000209961 [0,1,0,0,0,1|2,0,0]=4 11142 B13R1.3523 CC(C)(C)CNCc1ccncc1 207a_100000743828_100000186114 [0,1,0,0,0,1|2,0,0]=4 11143 B13R1.3523 CC(C)(C)CNCc1ccncc1 2230a_100000743828_100015193705 [0,1,0,0,0,1|2,0,0]=4 11144 B13R1.3523 CC(C)(C)COCc1ccccc1 34a_100000210790_100011219605 [0,1,0,0,0,1|1,0,0]=3 11145 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100000211182_100011219605 [0,1,0,0,0,1|1,0,0]=3 11146 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100011219605_100015291786 [0,1,0,0,0,1|1,0,0]=3 11147 B13R1.3523 CC(C)(C)CSCc1ccccn1 62a_100000721315_100011219605 [0,1,0,0,0,1|2,0,0]=4 11148 B13R1.3523 CC(C)(C)CSCc1ccccn1 62a_100011219605_100000721315 [0,1,0,0,0,1|2,0,0]=4 11149 B13R1.3523 CC(C)(C)CSCc1cccnc1 62a_100000741622_100011219605 [0,1,0,0,0,1|2,0,0]=4 11150 B13R1.3523 CC(C)(C)CSCc1cccnc1 62a_100011219605_100000741622 [0,1,0,0,0,1|2,0,0]=4 11151 B13R1.3523 CC(C)(C)CSCc1ccncc1 62a_100011219605_100015193705 [0,1,0,0,0,1|2,0,0]=4 11152 B13R1.3523 CC(C)(C)CSCc1ccncc1 62a_100015193705_100011219605 [0,1,0,0,0,1|2,0,0]=4 11153 B13R1.3523 CC(C)(C)NCCc1ccccc1 2230a_100000715429_100000765856 [0,1,0,0,0,1|1,0,0]=3 11154 B13R1.3523 CC(C)(C)NCCc1ccccc1 34a_100000106460_100000210625 [0,1,0,0,0,1|1,0,0]=3 11155 B13R1.3523 CC(C)(C)NCCc1ccccn1 2230a_100000715429_100015183660 [0,1,0,0,0,1|2,0,0]=4 11156 B13R1.3523 CC(C)(C)NCCc1cccnc1 2230a_100000715429_200011713674 [0,1,0,0,0,1|2,0,0]=4 11157 B13R1.3523 CC(C)(C)NCCc1ccncc1 2230a_100000715429_100000723409 [0,1,0,0,0,1|2,0,0]=4 11158 B13R1.3523 CC(C)(C)NCSc1ccccc1 2230a_100000715429_100011218342 [0,1,0,0,0,1|2,0,0]=4 11159 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100000210268_100000210625 [0,1,0,0,0,1|1,0,0]=3 11160 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100015890283_100000765856 [0,1,0,0,0,1|1,0,0]=3 11161 B13R1.3523 CC(C)(C)OCCc1ccccc1 7a_100015890283_100000765856 [0,1,0,0,0,1|1,0,0]=3 11162 B13R1.3523 CC(C)(C)OCCc1ccccn1 34a_100000210271_100000210625 [0,1,0,0,0,1|2,0,0]=4 11163 B13R1.3523 CC(C)(C)OCCc1ccccn1 7a_100015890283_100015183660 [0,1,0,0,0,1|2,0,0]=4 11164 B13R1.3523 CC(C)(C)OCCc1cccnc1 34a_100011217484_100000210625 [0,1,0,0,0,1|2,0,0]=4 11165 B13R1.3523 CC(C)(C)OCCc1cccnc1 7a_100015890283_200011713674 [0,1,0,0,0,1|2,0,0]=4 11166 B13R1.3523 CC(C)(C)OCCc1ccncc1 34a_100011216225_100000210625 [0,1,0,0,0,1|2,0,0]=4 11167 B13R1.3523 CC(C)(C)OCCc1ccncc1 7a_100015890283_100000723409 [0,1,0,0,0,1|2,0,0]=4 11168 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000211941_100011218657 [0,1,0,0,0,1|1,0,0]=3 11169 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000765856_100000211941 [0,1,0,0,0,1|1,0,0]=3 11170 B13R1.3523 CC(C)(C)SCCc1ccccn1 62a_100000211941_100015183660 [0,1,0,0,0,1|2,0,0]=4 11171 B13R1.3523 CC(C)(C)SCCc1ccccn1 62a_100015183660_100000211941 [0,1,0,0,0,1|2,0,0]=4 11172 B13R1.3523 CC(C)(C)SCCc1cccnc1 62a_100000211941_200011713674 [0,1,0,0,0,1|2,0,0]=4 11173 B13R1.3523 CC(C)(C)SCCc1cccnc1 62a_200011713674_100000211941 [0,1,0,0,0,1|2,0,0]=4 11174 B13R1.3523 CC(C)(C)SCCc1ccncc1 62a_100000211941_100000723409 [0,1,0,0,0,1|2,0,0]=4 11175 B13R1.3523 CC(C)(C)SCCc1ccncc1 62a_100000723409_100000211941 [0,1,0,0,0,1|2,0,0]=4 11176 B13R1.3523 CC(C)(C)SCSc1ccccc1 62a_100000211941_100011218342 [0,1,0,0,0,1|2,0,0]=4 11177 B13R1.3523 CC(C)(C)SCSc1ccccc1 62a_100011218342_100000211941 [0,1,0,0,0,1|2,0,0]=4 11178 B13R1.3523 CC(C)(F)CNCc1ccccc1 207a_100020643315_100015611070 [0,1,0,0,0,1|1,0,0]=3 11179 B13R1.3523 CC(C)(F)CNCc1ccccc1 2230a_100020643315_100015291786 [0,1,0,0,0,1|1,0,0]=3 11180 B13R1.3523 CC(C)(F)CNCc1ccccc1 270004a_100020643315_100015611070 [0,1,0,0,0,1|1,0,0]=3 11181 B13R1.3523 CC(C)(F)CNCc1ccccc1 34a_100015324214_100011997219 [0,1,0,0,0,1|1,0,0]=3 11182 B13R1.3523 CC(C)(F)CNCc1ccccn1 207a_100020643315_100000209966 [0,1,0,0,0,1|2,0,0]=4 11183 B13R1.3523 CC(C)(F)CNCc1ccccn1 2230a_100020643315_100000721315 [0,1,0,0,0,1|2,0,0]=4 11184 B13R1.3523 CC(C)(F)CNCc1ccccn1 270004a_100020643315_100000209966 [0,1,0,0,0,1|2,0,0]=4 11185 B13R1.3523 CC(C)(F)CNCc1cccnc1 207a_100020643315_100000209961 [0,1,0,0,0,1|2,0,0]=4 11186 B13R1.3523 CC(C)(F)CNCc1cccnc1 2230a_100020643315_100000741622 [0,1,0,0,0,1|2,0,0]=4 11187 B13R1.3523 CC(C)(F)CNCc1cccnc1 270004a_100020643315_100000209961 [0,1,0,0,0,1|2,0,0]=4 11188 B13R1.3523 CC(C)(F)CNCc1ccncc1 207a_100020643315_100000186114 [0,1,0,0,0,1|2,0,0]=4 11189 B13R1.3523 CC(C)(F)CNCc1ccncc1 2230a_100020643315_100015193705 [0,1,0,0,0,1|2,0,0]=4 11190 B13R1.3523 CC(C)(F)COCc1ccccc1 34a_100000210790_100011997219 [0,1,0,0,0,1|1,0,0]=3 11191 B13R1.3523 CC(C)(F)COCc1ccccc1 34a_100000716592_100015291786 [0,1,0,0,0,1|1,0,0]=3 11192 B13R1.3523 CC(C)(F)COCc1ccccn1 34a_100000716592_100000721315 [0,1,0,0,0,1|2,0,0]=4 11193 B13R1.3523 CC(C)(F)COCc1cccnc1 34a_100000716592_100000733263 [0,1,0,0,0,1|2,0,0]=4 11194 B13R1.3523 CC(C)(F)CSCc1ccccc1 62a_100000211182_100011997219 [0,1,0,0,0,1|1,0,0]=3 11195 B13R1.3523 CC(C)(F)CSCc1ccccc1 62a_100011997219_100015291786 [0,1,0,0,0,1|1,0,0]=3 11196 B13R1.3523 CC(C)(F)CSCc1ccccn1 62a_100000721315_100011997219 [0,1,0,0,0,1|2,0,0]=4 11197 B13R1.3523 CC(C)(F)CSCc1ccccn1 62a_100011997219_100000721315 [0,1,0,0,0,1|2,0,0]=4 11198 B13R1.3523 CC(C)(F)CSCc1cccnc1 62a_100000741622_100011997219 [0,1,0,0,0,1|2,0,0]=4 11199 B13R1.3523 CC(C)(F)CSCc1cccnc1 62a_100011997219_100000741622 [0,1,0,0,0,1|2,0,0]=4 11200 B13R1.3523 CC(C)(F)CSCc1ccncc1 62a_100011997219_100015193705 [0,1,0,0,0,1|2,0,0]=4 11201 B13R1.3523 CC(C)(F)CSCc1ccncc1 62a_100015193705_100011997219 [0,1,0,0,0,1|2,0,0]=4 11202 B13R1.3523 CC(C)(O)CCNc1ccccc1 34a_100000106764_100000702414 [0,1,0,0,0,1|0,0,0]=2 11203 B13R1.3523 CC(C)(O)CCNc1cccnn1 27a_100000707701_100016991348 [0,1,0,0,0,1|2,0,0]=4 11204 B13R1.3523 CC(C)(O)CCNc1ccncn1 27a_100000707701_100000703185 [0,1,0,0,0,1|2,0,0]=4 11205 B13R1.3523 CC(C)(O)CCNc1cnccn1 27a_100000707701_100000211759 [0,1,0,0,0,1|2,0,0]=4 11206 B13R1.3523 CC(C)(O)CCNc1ncccn1 27a_100000707701_100000211032 [0,1,0,0,0,1|2,0,0]=4 11207 B13R1.3523 CC(C)(O)CCOc1ccccc1 34a_100000210340_100000702414 [0,1,0,0,0,1|0,0,0]=2 11208 B13R1.3523 CC(C)(O)CCOc1ccccc1 7a_100000210340_100000702414 [0,1,0,0,0,1|0,0,0]=2 11209 B13R1.3523 CC(C)(O)CCOc1cccnc1 34a_100000210849_100000702414 [0,1,0,0,0,1|1,0,0]=3 11210 B13R1.3523 CC(C)(O)CCOc1cccnc1 7a_100000210849_100000702414 [0,1,0,0,0,1|1,0,0]=3 11211 B13R1.3523 CC(C)(O)CCOc1ccncc1 34a_100000212176_100000702414 [0,1,0,0,0,1|1,0,0]=3 11212 B13R1.3523 CC(C)(O)CCOc1ccnnc1 34a_100015204005_100000702414 [0,1,0,0,0,1|2,0,0]=4 11213 B13R1.3523 CC(C)(O)CCOc1cncnc1 7a_100000754086_100000702414 [0,1,0,0,0,1|2,0,0]=4 11214 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000702414_100000041952 [0,1,0,0,0,1|0,0,0]=2 11215 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000719477_100000702414 [0,1,0,0,0,1|0,0,0]=2 11216 B13R1.3523 CC(C)(O)CCSc1ccccn1 62a_100000702414_100011216584 [0,1,0,0,0,1|1,0,0]=3 11217 B13R1.3523 CC(C)(O)CCSc1ccccn1 62a_100011216584_100000702414 [0,1,0,0,0,1|1,0,0]=3 11218 B13R1.3523 CC(C)(O)CCSc1cccnc1 62a_100000210063_100000702414 [0,1,0,0,0,1|1,0,0]=3 11219 B13R1.3523 CC(C)(O)CCSc1cccnc1 62a_100000702414_100000210063 [0,1,0,0,0,1|1,0,0]=3 11220 B13R1.3523 CC(C)(O)CCSc1cccnn1 62a_100000702414_100016991348 [0,1,0,0,0,1|2,0,0]=4 11221 B13R1.3523 CC(C)(O)CCSc1cccnn1 62a_100016991348_100000702414 [0,1,0,0,0,1|2,0,0]=4 11222 B13R1.3523 CC(C)(O)CCSc1ccncc1 62a_100000702414_100000728582 [0,1,0,0,0,1|1,0,0]=3 11223 B13R1.3523 CC(C)(O)CCSc1ccncc1 62a_100000728582_100000702414 [0,1,0,0,0,1|1,0,0]=3 11224 B13R1.3523 CC(C)(O)CCSc1ccncn1 62a_100000702414_100000703185 [0,1,0,0,0,1|2,0,0]=4 11225 B13R1.3523 CC(C)(O)CCSc1ccncn1 62a_100000703185_100000702414 [0,1,0,0,0,1|2,0,0]=4 11226 B13R1.3523 CC(C)(O)CCSc1ccnnc1 62a_100000702414_100000732662 [0,1,0,0,0,1|2,0,0]=4 11227 B13R1.3523 CC(C)(O)CCSc1ccnnc1 62a_100000732662_100000702414 [0,1,0,0,0,1|2,0,0]=4 11228 B13R1.3523 CC(C)(O)CCSc1cnccn1 62a_100000211759_100000702414 [0,1,0,0,0,1|2,0,0]=4 11229 B13R1.3523 CC(C)(O)CCSc1cnccn1 62a_100000702414_100000211759 [0,1,0,0,0,1|2,0,0]=4 11230 B13R1.3523 CC(C)(O)CCSc1cncnc1 62a_100000702414_100011206942 [0,1,0,0,0,1|2,0,0]=4 11231 B13R1.3523 CC(C)(O)CCSc1cncnc1 62a_100011206942_100000702414 [0,1,0,0,0,1|2,0,0]=4 11232 B13R1.3523 CC(C)(O)CCSc1ncccn1 62a_100000211032_100000702414 [0,1,0,0,0,1|2,0,0]=4 11233 B13R1.3523 CC(C)(O)CCSc1ncccn1 62a_100000702414_100000211032 [0,1,0,0,0,1|2,0,0]=4 11234 B13R1.3523 CC(C)(O)CNCc1ccccc1 207a_100000751335_100015611070 [0,1,0,0,0,1|0,0,0]=2 11235 B13R1.3523 CC(C)(O)CNCc1ccccc1 2230a_100000751335_100015291786 [0,1,0,0,0,1|0,0,0]=2 11236 B13R1.3523 CC(C)(O)CNCc1ccccc1 270004a_100000751335_100015611070 [0,1,0,0,0,1|0,0,0]=2 11237 B13R1.3523 CC(C)(O)CNCc1ccccc1 34a_100015324214_100000764493 [0,1,0,0,0,1|0,0,0]=2 11238 B13R1.3523 CC(C)(O)CNCc1ccccn1 207a_100000751335_100000209966 [0,1,0,0,0,1|1,0,0]=3 11239 B13R1.3523 CC(C)(O)CNCc1ccccn1 2230a_100000751335_100000721315 [0,1,0,0,0,1|1,0,0]=3 11240 B13R1.3523 CC(C)(O)CNCc1ccccn1 270004a_100000751335_100000209966 [0,1,0,0,0,1|1,0,0]=3 11241 B13R1.3523 CC(C)(O)CNCc1cccnc1 207a_100000751335_100000209961 [0,1,0,0,0,1|1,0,0]=3 11242 B13R1.3523 CC(C)(O)CNCc1cccnc1 2230a_100000751335_100000741622 [0,1,0,0,0,1|1,0,0]=3 11243 B13R1.3523 CC(C)(O)CNCc1cccnc1 270004a_100000751335_100000209961 [0,1,0,0,0,1|1,0,0]=3 11244 B13R1.3523 CC(C)(O)CNCc1cccnn1 2230a_100000751335_100016990269 [0,1,0,0,0,1|2,0,0]=4 11245 B13R1.3523 CC(C)(O)CNCc1ccncc1 207a_100000751335_100000186114 [0,1,0,0,0,1|1,0,0]=3 11246 B13R1.3523 CC(C)(O)CNCc1ccncc1 2230a_100000751335_100015193705 [0,1,0,0,0,1|1,0,0]=3 11247 B13R1.3523 CC(C)(O)CNCc1ccnnc1 270004a_100000751335_100011934578 [0,1,0,0,0,1|2,0,0]=4 11248 B13R1.3523 CC(C)(O)CNCc1cnccn1 2230a_100000751335_100016995436 [0,1,0,0,0,1|2,0,0]=4 11249 B13R1.3523 CC(C)(O)CNCc1cnccn1 270004a_100000751335_100000749867 [0,1,0,0,0,1|2,0,0]=4 11250 B13R1.3523 CC(C)(O)CNCc1cncnc1 2230a_100000751335_100015196519 [0,1,0,0,0,1|2,0,0]=4 11251 B13R1.3523 CC(C)(O)CNCc1cncnc1 270004a_100000751335_100000749868 [0,1,0,0,0,1|2,0,0]=4 11252 B13R1.3523 CC(C)(O)CNCc1ncccn1 2230a_100000751335_100000703007 [0,1,0,0,0,1|2,0,0]=4 11253 B13R1.3523 CC(C)(O)CNCc1ncccn1 270004a_100000751335_100011532527 [0,1,0,0,0,1|2,0,0]=4 11254 B13R1.3523 CC(C)(O)COCc1ccccc1 34a_100000210790_100000764493 [0,1,0,0,0,1|0,0,0]=2 11255 B13R1.3523 CC(C)(O)COCc1ccccc1 7a_100000210790_100000764493 [0,1,0,0,0,1|0,0,0]=2 11256 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000211182_100000764493 [0,1,0,0,0,1|0,0,0]=2 11257 B13R1.3523 CC(C)(O)CSCc1ccccc1 62a_100000764493_100015291786 [0,1,0,0,0,1|0,0,0]=2 11258 B13R1.3523 CC(C)(O)CSCc1ccccn1 62a_100000721315_100000764493 [0,1,0,0,0,1|1,0,0]=3 11259 B13R1.3523 CC(C)(O)CSCc1ccccn1 62a_100000764493_100000721315 [0,1,0,0,0,1|1,0,0]=3 11260 B13R1.3523 CC(C)(O)CSCc1cccnc1 62a_100000741622_100000764493 [0,1,0,0,0,1|1,0,0]=3 11261 B13R1.3523 CC(C)(O)CSCc1cccnc1 62a_100000764493_100000741622 [0,1,0,0,0,1|1,0,0]=3 11262 B13R1.3523 CC(C)(O)CSCc1cccnn1 62a_100000764493_100016990269 [0,1,0,0,0,1|2,0,0]=4 11263 B13R1.3523 CC(C)(O)CSCc1cccnn1 62a_100016990269_100000764493 [0,1,0,0,0,1|2,0,0]=4 11264 B13R1.3523 CC(C)(O)CSCc1ccncc1 62a_100000764493_100015193705 [0,1,0,0,0,1|1,0,0]=3 11265 B13R1.3523 CC(C)(O)CSCc1ccncc1 62a_100015193705_100000764493 [0,1,0,0,0,1|1,0,0]=3 11266 B13R1.3523 CC(C)(O)CSCc1cnccn1 62a_100000764493_100016995436 [0,1,0,0,0,1|2,0,0]=4 11267 B13R1.3523 CC(C)(O)CSCc1cnccn1 62a_100016995436_100000764493 [0,1,0,0,0,1|2,0,0]=4 11268 B13R1.3523 CC(C)(O)CSCc1cncnc1 62a_100000764493_100015196519 [0,1,0,0,0,1|2,0,0]=4 11269 B13R1.3523 CC(C)(O)CSCc1cncnc1 62a_100015196519_100000764493 [0,1,0,0,0,1|2,0,0]=4 11270 B13R1.3523 CC(C)(O)CSCc1ncccn1 62a_100000703007_100000764493 [0,1,0,0,0,1|2,0,0]=4 11271 B13R1.3523 CC(C)(O)CSCc1ncccn1 62a_100000764493_100000703007 [0,1,0,0,0,1|2,0,0]=4 11272 B13R1.3523 CC(F)(F)CNCc1ccccc1 207a_100000731000_100015611070 [0,1,0,0,0,1|1,0,0]=3 11273 B13R1.3523 CC(F)(F)CNCc1ccccc1 270004a_100000731000_100015611070 [0,1,0,0,0,1|1,0,0]=3 11274 B13R1.3523 CC(F)(F)CNCc1ccccn1 207a_100000731000_100000209966 [0,1,0,0,0,1|2,0,0]=4 11275 B13R1.3523 CC(F)(F)CNCc1ccccn1 270004a_100000731000_100000209966 [0,1,0,0,0,1|2,0,0]=4 11276 B13R1.3523 CC(F)(F)CNCc1cccnc1 207a_100000731000_100000209961 [0,1,0,0,0,1|2,0,0]=4 11277 B13R1.3523 CC(F)(F)CNCc1cccnc1 270004a_100000731000_100000209961 [0,1,0,0,0,1|2,0,0]=4 11278 B13R1.3523 CC(F)(F)CNCc1ccncc1 207a_100000731000_100000186114 [0,1,0,0,0,1|2,0,0]=4 11279 B13R1.3523 CC(F)(F)COCc1ccccc1 34a_100000068830_100015291786 [0,1,0,0,0,1|1,0,0]=3 11280 B13R1.3523 CC(F)(F)COCc1ccccn1 34a_100000068830_100000721315 [0,1,0,0,0,1|2,0,0]=4 11281 B13R1.3523 CC(F)(F)COCc1cccnc1 34a_100000068830_100000733263 [0,1,0,0,0,1|2,0,0]=4 11282 B13R1.3523 CS(=O)(=O)CCNc1ccccc1 34a_100000106764_100000731031 [0,1,0,0,0,1|1,0,1]=4 11283 B13R1.3523 CS(=O)(=O)CCOc1ccccc1 34a_100000210340_100000731031 [0,1,0,0,0,1|1,0,1]=4 11284 B13R1.3523 CS(=O)(=O)CCOc1ccccc1 7a_100000210340_100000230027 [0,1,0,0,0,1|1,0,1]=4 11285 B13R1.3523 CS(=O)(=O)CCSc1ccccc1 62a_100000719477_100000230027 [0,1,0,0,0,1|1,0,1]=4 11286 B13R1.3523 CS(=O)(=O)CCSc1ccccc1 62a_100000731031_100000041952 [0,1,0,0,0,1|1,0,1]=4 11287 B13R1.3523 CS(=O)(=O)NCCc1ccccc1 40a_100000106460_100000738038 [0,1,0,0,0,1|1,0,1]=4 11288 B13R1.3523 C[N+](C)(C)CCNc1ccccc1 34a_100000106764_100000085578 [0,1,0,0,0,1|2,0,0]=4 11289 B13R1.3523 C[N+](C)(C)CCOc1ccccc1 34a_100000210340_100000085578 [0,1,0,0,0,1|2,0,0]=4 11290 B13R1.3523 C[N+](C)(C)CCOc1ccccc1 7a_100000210340_100000085578 [0,1,0,0,0,1|2,0,0]=4 11291 B13R1.3523 C[N+](C)(C)CCSc1ccccc1 62a_100000085578_100000041952 [0,1,0,0,0,1|2,0,0]=4 11292 B13R1.3523 C[N+](C)(C)CCSc1ccccc1 62a_100000719477_100000085578 [0,1,0,0,0,1|2,0,0]=4 11293 B13R1.3523 C[N+](C)(C)CSCc1ccccc1 62a_100000211182_200000036245 [0,1,0,0,0,1|2,0,0]=4 11294 B13R1.3523 C[N+](C)(C)CSCc1ccccc1 62a_200000036245_100015291786 [0,1,0,0,0,1|2,0,0]=4 11295 B13R1.3523 C[Si](C)(C)CCNc1ccccc1 34a_100000106764_200000733723 [0,1,0,0,0,1|1,1,0]=4 11296 B13R1.3523 C[Si](C)(C)CCOc1ccccc1 34a_100000210340_200000733723 [0,1,0,0,0,1|1,1,0]=4 11297 B13R1.3523 C[Si](C)(C)CCOc1ccccc1 7a_100000210340_200000733723 [0,1,0,0,0,1|1,1,0]=4 11298 B13R1.3523 C[Si](C)(C)CCSc1ccccc1 62a_100000719477_200000733723 [0,1,0,0,0,1|1,1,0]=4 11299 B13R1.3523 C[Si](C)(C)CCSc1ccccc1 62a_200000733723_100000041952 [0,1,0,0,0,1|1,1,0]=4 11300 B13R1.3523 C[Si](C)(C)CNCc1ccccc1 2230a_100015324214_100000037933 [0,1,0,0,0,1|1,1,0]=4 11301 B13R1.3523 C[Si](C)(C)COCc1ccccc1 7a_100000210790_100000233785 [0,1,0,0,0,1|1,1,0]=4 11302 B13R1.3523 C[Si](C)(C)CSCc1ccccc1 62a_100000037933_100015291786 [0,1,0,0,0,1|1,1,0]=4 11303 B13R1.3523 C[Si](C)(C)CSCc1ccccc1 62a_100000211182_100000037933 [0,1,0,0,0,1|1,1,0]=4 11304 B13R1.3523 FC(F)(Br)COCc1ccccc1 34a_100011217949_100015291786 [0,1,0,0,0,1|2,0,0]=4 11305 B13R1.3523 FC(F)(Cl)COCc1ccccc1 34a_100000734434_100015291786 [0,1,0,0,0,1|2,0,0]=4 11306 B13R1.3523 FC(F)(F)CCNc1ccccc1 34a_100000106764_100011219754 [0,1,0,0,0,1|2,0,0]=4 11307 B13R1.3523 FC(F)(F)CCOc1ccccc1 34a_100000210340_100011219754 [0,1,0,0,0,1|2,0,0]=4 11308 B13R1.3523 FC(F)(F)CCOc1ccccc1 7a_100000210340_100011219754 [0,1,0,0,0,1|2,0,0]=4 11309 B13R1.3523 FC(F)(F)CCSc1ccccc1 62a_100000719477_100011219754 [0,1,0,0,0,1|2,0,0]=4 11310 B13R1.3523 FC(F)(F)CCSc1ccccc1 62a_100011219754_100000041952 [0,1,0,0,0,1|2,0,0]=4 11311 B13R1.3523 FC(F)(F)CNCc1ccccc1 2230a_100015324214_100000763148 [0,1,0,0,0,1|2,0,0]=4 11312 B13R1.3523 FC(F)(F)CNCc1ccccc1 34a_100000717047_100015291786 [0,1,0,0,0,1|2,0,0]=4 11313 B13R1.3523 FC(F)(F)COCc1ccccc1 34a_100000210435_100015291786 [0,1,0,0,0,1|2,0,0]=4 11314 B13R1.3523 FC(F)(F)CSCc1ccccc1 62a_100000211182_100000763148 [0,1,0,0,0,1|2,0,0]=4 11315 B13R1.3523 FC(F)(F)CSCc1ccccc1 62a_100000763148_100015291786 [0,1,0,0,0,1|2,0,0]=4 11316 B13R1.3523 FC(F)(F)NCCc1ccccc1 34a_100000106460_200103152311 [0,1,0,0,0,1|2,0,0]=4 11317 B13R1.3523 FC(F)(F)OCCc1ccccc1 34a_100000210268_200103152311 [0,1,0,0,0,1|2,0,0]=4 11318 B13R1.3523 FC(F)(F)OCCc1ccccc1 7a_100000210268_200000243211 [0,1,0,0,0,1|2,0,0]=4 11319 B13R1.3523 FC(F)(F)SCCc1ccccc1 62a_100000765856_200103152311 [0,1,0,0,0,1|2,0,0]=4 11320 B13R1.3523 FC(F)(F)SCCc1ccccc1 62a_200000243211_100011218657 [0,1,0,0,0,1|2,0,0]=4 11321 B13R1.280 CC(C)COc1cccccc1=O 34a_100000036025_100000210624 [0,1,0,0,0,1|2,0,0]=4 11322 B13R1.280 CC(C)COc1cccccc1=O 7a_100000036025_100000210760 [0,1,0,0,0,1|2,0,0]=4 11323 B13R1.280 CC(O)COc1cccccc1=O 34a_100000036025_100011218427 [0,1,0,0,0,1|1,0,0]=3 11324 B13R1.280 CC(O)COc1cccccc1=O 7a_100000036025_100011218427 [0,1,0,0,0,1|1,0,0]=3 11325 B13R1.280 C[C@@H](O)COc1cccccc1=O 34a_100000036025_100009817552 [0,1,0,0,0,1|1,0,0]=3 11326 B13R1.280 C[C@@H](O)COc1cccccc1=O 7a_100000036025_100009817552 [0,1,0,0,0,1|1,0,0]=3 11327 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 207a_100138425928_100011361452 [0,2,0,0,0,0|2,0,0]=4 11328 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 2230a_100015199678_100000210206 [0,2,0,0,0,0|2,0,0]=4 11329 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000140223 [0,2,0,0,0,0|2,0,0]=4 11330 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 34a_100015199678_100000210206 [0,2,0,0,0,0|2,0,0]=4 11331 B13R1.3 C#Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000140223 [0,2,0,0,0,0|2,0,0]=4 11332 B13R1.3 C#Cc1ccc(cc1)COC(C)C 34a_100000054647_100000210206 [0,2,0,0,0,0|2,0,0]=4 11333 B13R1.3 C#Cc1ccc(cc1)COC(C)C 34a_100000212225_100000140223 [0,2,0,0,0,0|2,0,0]=4 11334 B13R1.3 C#Cc1ccc(cc1)COC(C)C 7a_100000054647_100000210206 [0,2,0,0,0,0|2,0,0]=4 11335 B13R1.3 C#Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000140223 [0,2,0,0,0,0|2,0,0]=4 11336 B13R1.3 C#Cc1ccc(cc1)NCC(C)C 34a_100011215031_100000210624 [0,2,0,0,0,0|2,0,0]=4 11337 B13R1.3 C#Cc1ccc(cc1)NCC(C)O 34a_100011215031_100011218427 [0,2,0,0,0,0|1,0,0]=3 11338 B13R1.3 C#Cc1ccc(cc1)NC[C@@H](C)O 34a_100011215031_100009817552 [0,2,0,0,0,0|1,0,0]=3 11339 B13R1.3 C#Cc1ccc(nc1)OCC(C)O 34a_200009884252_100011218427 [0,2,0,0,0,0|2,0,0]=4 11340 B13R1.3 C#Cc1ccc(nc1)OC[C@@H](C)O 34a_200009884252_100009817552 [0,2,0,0,0,0|2,0,0]=4 11341 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000142037 [0,2,0,0,0,0|0,0,2]=4 11342 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 271570a_100011290941_100000723691 [0,2,0,0,0,0|0,0,2]=4 11343 B13R1.3 C=Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100000142037 [0,2,0,0,0,0|2,0,0]=4 11344 B13R1.3 C=Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100000142037 [0,2,0,0,0,0|2,0,0]=4 11345 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000034074 [0,2,0,0,0,0|2,0,0]=4 11346 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 271570a_100011290941_100000195760 [0,2,0,0,0,0|2,0,0]=4 11347 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000034074 [0,2,0,0,0,0|2,0,0]=4 11348 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 34a_200011934891_100000210206 [0,2,0,0,0,0|2,0,0]=4 11349 B13R1.3 C=Cc1ccc(cc1)COC(C)C 271570a_100011290941_100000758563 [0,2,0,0,0,0|2,0,0]=4 11350 B13R1.3 C=Cc1ccc(cc1)COC(C)C 34a_100000073583_100000210206 [0,2,0,0,0,0|2,0,0]=4 11351 B13R1.3 C=Cc1ccc(cc1)COC(C)C 34a_100000212225_100000034074 [0,2,0,0,0,0|2,0,0]=4 11352 B13R1.3 C=Cc1ccc(cc1)COC(C)C 7a_100000073583_100000210206 [0,2,0,0,0,0|2,0,0]=4 11353 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 271570a_100011290941_100000173087 [0,2,0,0,0,0|2,0,0]=4 11354 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 62a_100000034074_100000210206 [0,2,0,0,0,0|2,0,0]=4 11355 B13R1.3 C=Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000034074 [0,2,0,0,0,0|2,0,0]=4 11356 B13R1.3 C=Cc1ccc(cc1)NCC(C)C 271570a_100011290941_200011231703 [0,2,0,0,0,0|2,0,0]=4 11357 B13R1.3 C=Cc1ccc(cc1)NCC(C)C 34a_100011218248_100000210624 [0,2,0,0,0,0|2,0,0]=4 11358 B13R1.3 C=Cc1ccc(cc1)NCC(C)O 34a_100011218248_100011218427 [0,2,0,0,0,0|1,0,0]=3 11359 B13R1.3 C=Cc1ccc(cc1)NC[C@@H](C)O 34a_100011218248_100009817552 [0,2,0,0,0,0|1,0,0]=3 11360 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 271570a_100011290941_200000169949 [0,2,0,0,0,0|2,0,0]=4 11361 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 34a_100000189437_100000210624 [0,2,0,0,0,0|2,0,0]=4 11362 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 7a_100000189437_100000210760 [0,2,0,0,0,0|2,0,0]=4 11363 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 34a_100000189437_100011218427 [0,2,0,0,0,0|1,0,0]=3 11364 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 7a_100000189437_100011218427 [0,2,0,0,0,0|1,0,0]=3 11365 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 34a_100000189437_100009817552 [0,2,0,0,0,0|1,0,0]=3 11366 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 7a_100000189437_100009817552 [0,2,0,0,0,0|1,0,0]=3 11367 B13R1.3 C=Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000748128 [0,2,0,0,0,0|2,0,0]=4 11368 B13R1.3 C=Cc1ccc(cc1)SCC(C)C 62a_100000748128_100000210760 [0,2,0,0,0,0|2,0,0]=4 11369 B13R1.3 C=Cc1ccc(cc1)SCC(C)O 62a_100000748128_100011218427 [0,2,0,0,0,0|1,0,0]=3 11370 B13R1.3 C=Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000748128 [0,2,0,0,0,0|1,0,0]=3 11371 B13R1.3 C=Cc1ccc(cc1)SC[C@@H](C)O 62a_100000748128_100009817552 [0,2,0,0,0,0|1,0,0]=3 11372 B13R1.3 C=Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000748128 [0,2,0,0,0,0|1,0,0]=3 11373 B13R1.3 C=Cc1ccc(nc1)SCC(C)O 62a_100011218427_103436540071 [0,2,0,0,0,0|2,0,0]=4 11374 B13R1.3 C=Cc1ccc(nc1)SCC(C)O 62a_103436540071_100011218427 [0,2,0,0,0,0|2,0,0]=4 11375 B13R1.3 C=Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_103436540071 [0,2,0,0,0,0|2,0,0]=4 11376 B13R1.3 C=Cc1ccc(nc1)SC[C@@H](C)O 62a_103436540071_100009817552 [0,2,0,0,0,0|2,0,0]=4 11377 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200000210301 [0,2,0,0,0,0|0,0,2]=4 11378 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000070787_100012161189 [0,2,0,0,0,0|0,0,2]=4 11379 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,2,0,0,0,0|0,0,2]=4 11380 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,2,0,0,0,0|0,0,2]=4 11381 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,2,0,0,0,0|0,0,2]=4 11382 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,2,0,0,0,0|0,0,2]=4 11383 B13R1.3 CC(C)CNc1ccc(cc1)C#N 34a_100000185469_100000210624 [0,2,0,0,0,0|2,0,0]=4 11384 B13R1.3 CC(C)CNc1ccc(cc1)CO 2230a_100011215238_100000210760 [0,2,0,0,0,0|2,0,0]=4 11385 B13R1.3 CC(C)CNc1ccc(cc1)CO 34a_100011215238_100000210624 [0,2,0,0,0,0|2,0,0]=4 11386 B13R1.3 CC(C)CNc1ccc(cc1)S[13CH3] 62a_200011231703_200025704644 [0,2,0,0,0,0|2,0,0]=4 11387 B13R1.3 CC(C)CNc1ccc(cc1)S[13CH3] 62a_200025704644_200011231703 [0,2,0,0,0,0|2,0,0]=4 11388 B13R1.3 CC(C)COc1ccc(cc1)C#N 34a_100000210344_100000210624 [0,2,0,0,0,0|2,0,0]=4 11389 B13R1.3 CC(C)COc1ccc(cc1)C#N 7a_100000210344_100000210760 [0,2,0,0,0,0|2,0,0]=4 11390 B13R1.3 CC(C)COc1ccc(cc1)CN 34a_100000185549_100000210624 [0,2,0,0,0,0|2,0,0]=4 11391 B13R1.3 CC(C)COc1ccc(cc1)CO 34a_100000211755_100000210624 [0,2,0,0,0,0|2,0,0]=4 11392 B13R1.3 CC(C)COc1ccc(cc1)N[13CH3] 34a_200000243789_200025704644 [0,2,0,0,0,0|2,0,0]=4 11393 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200000169949_200025704644 [0,2,0,0,0,0|2,0,0]=4 11394 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200025704644_200000169949 [0,2,0,0,0,0|2,0,0]=4 11395 B13R1.3 CC(C)CSc1ccc(cc1)C#N 62a_100000210624_100000184291 [0,2,0,0,0,0|2,0,0]=4 11396 B13R1.3 CC(C)CSc1ccc(cc1)C=O 62a_100000188517_100000210760 [0,2,0,0,0,0|2,0,0]=4 11397 B13R1.3 CC(C)CSc1ccc(cc1)C=O 62a_100000210624_100000188517 [0,2,0,0,0,0|2,0,0]=4 11398 B13R1.3 CC(C)CSc1ccc(cc1)CF 62a_100000210624_100010268989 [0,2,0,0,0,0|2,0,0]=4 11399 B13R1.3 CC(C)CSc1ccc(cc1)CF 62a_100010268989_100000210760 [0,2,0,0,0,0|2,0,0]=4 11400 B13R1.3 CC(C)CSc1ccc(cc1)CN 62a_100000210624_100016989417 [0,2,0,0,0,0|2,0,0]=4 11401 B13R1.3 CC(C)CSc1ccc(cc1)CN 62a_100016989417_100000210760 [0,2,0,0,0,0|2,0,0]=4 11402 B13R1.3 CC(C)CSc1ccc(cc1)CO 62a_100000210624_100000690907 [0,2,0,0,0,0|2,0,0]=4 11403 B13R1.3 CC(C)CSc1ccc(cc1)CO 62a_100000690907_100000210760 [0,2,0,0,0,0|2,0,0]=4 11404 B13R1.3 CC(C)CSc1ccc(cc1)NN 62a_100000210624_100016988836 [0,2,0,0,0,0|2,0,0]=4 11405 B13R1.3 CC(C)CSc1ccc(cc1)NN 62a_100016988836_100000210760 [0,2,0,0,0,0|2,0,0]=4 11406 B13R1.3 CC(C)NCc1ccc(cc1)C#N 207a_100138425928_100000211122 [0,2,0,0,0,0|2,0,0]=4 11407 B13R1.3 CC(C)NCc1ccc(cc1)C#N 2230a_100138425928_100000184898 [0,2,0,0,0,0|2,0,0]=4 11408 B13R1.3 CC(C)NCc1ccc(cc1)C#N 34a_100015207190_100000210206 [0,2,0,0,0,0|2,0,0]=4 11409 B13R1.3 CC(C)NCc1ccc(cc1)C#N 34a_100138425928_100000184898 [0,2,0,0,0,0|2,0,0]=4 11410 B13R1.3 CC(C)NCc1ccc(cc1)C=O 2230a_100138425928_100009816848 [0,2,0,0,0,0|2,0,0]=4 11411 B13R1.3 CC(C)NCc1ccc(cc1)C=O 34a_100138425928_100009816848 [0,2,0,0,0,0|2,0,0]=4 11412 B13R1.3 CC(C)NCc1ccc(cc1)CO 207a_100138425928_100009832023 [0,2,0,0,0,0|2,0,0]=4 11413 B13R1.3 CC(C)NCc1ccc(cc1)CO 2230a_100015189231_100000210206 [0,2,0,0,0,0|2,0,0]=4 11414 B13R1.3 CC(C)NCc1ccc(cc1)CO 2230a_100138425928_100000067286 [0,2,0,0,0,0|2,0,0]=4 11415 B13R1.3 CC(C)NCc1ccc(cc1)CO 34a_100015189231_100000210206 [0,2,0,0,0,0|2,0,0]=4 11416 B13R1.3 CC(C)NCc1ccc(cc1)CO 34a_100138425928_100000067286 [0,2,0,0,0,0|2,0,0]=4 11417 B13R1.3 CC(C)NCc1ccc(cc1)S[13CH3] 62a_100000195760_200025704644 [0,2,0,0,0,0|2,0,0]=4 11418 B13R1.3 CC(C)NCc1ccc(cc1)S[13CH3] 62a_200025704644_100000195760 [0,2,0,0,0,0|2,0,0]=4 11419 B13R1.3 CC(C)OCc1ccc(cc1)C#N 34a_100000212225_100000184898 [0,2,0,0,0,0|2,0,0]=4 11420 B13R1.3 CC(C)OCc1ccc(cc1)C#N 34a_100000238739_100000210206 [0,2,0,0,0,0|2,0,0]=4 11421 B13R1.3 CC(C)OCc1ccc(cc1)C#N 7a_100000238739_100000210206 [0,2,0,0,0,0|2,0,0]=4 11422 B13R1.3 CC(C)OCc1ccc(cc1)C=O 34a_100000212225_100009816848 [0,2,0,0,0,0|2,0,0]=4 11423 B13R1.3 CC(C)OCc1ccc(cc1)CBr 34a_100012353999_100000210206 [0,2,0,0,0,0|2,0,0]=4 11424 B13R1.3 CC(C)OCc1ccc(cc1)CBr 7a_100012353999_100000210206 [0,2,0,0,0,0|2,0,0]=4 11425 B13R1.3 CC(C)OCc1ccc(cc1)CCl 34a_100000067286_100000210206 [0,2,0,0,0,0|2,0,0]=4 11426 B13R1.3 CC(C)OCc1ccc(cc1)CCl 7a_100000067286_100000210206 [0,2,0,0,0,0|2,0,0]=4 11427 B13R1.3 CC(C)OCc1ccc(cc1)CN 34a_100015189231_100000210206 [0,2,0,0,0,0|2,0,0]=4 11428 B13R1.3 CC(C)OCc1ccc(cc1)CO 34a_100000212225_100000067286 [0,2,0,0,0,0|2,0,0]=4 11429 B13R1.3 CC(C)OCc1ccc(cc1)S[13CH3] 62a_100000758563_200025704644 [0,2,0,0,0,0|2,0,0]=4 11430 B13R1.3 CC(C)OCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758563 [0,2,0,0,0,0|2,0,0]=4 11431 B13R1.3 CC(C)SCc1ccc(cc1)C#N 62a_100000210206_100000184898 [0,2,0,0,0,0|2,0,0]=4 11432 B13R1.3 CC(C)SCc1ccc(cc1)C=O 62a_100000210206_100009816848 [0,2,0,0,0,0|2,0,0]=4 11433 B13R1.3 CC(C)SCc1ccc(cc1)C=O 62a_100009816848_100000210206 [0,2,0,0,0,0|2,0,0]=4 11434 B13R1.3 CC(C)SCc1ccc(cc1)CO 62a_100000067286_100000210206 [0,2,0,0,0,0|2,0,0]=4 11435 B13R1.3 CC(C)SCc1ccc(cc1)CO 62a_100000210206_100000067286 [0,2,0,0,0,0|2,0,0]=4 11436 B13R1.3 CC(C)SCc1ccc(cc1)S[13CH3] 62a_100000173087_200025704644 [0,2,0,0,0,0|2,0,0]=4 11437 B13R1.3 CC(C)SCc1ccc(cc1)S[13CH3] 62a_200025704644_100000173087 [0,2,0,0,0,0|2,0,0]=4 11438 B13R1.3 CC(O)C=Cc1ccc(cc1)C#N 271570a_200011019289_100000179745 [0,2,0,0,0,0|0,0,2]=4 11439 B13R1.3 CC(O)C=Cc1ccc(cc1)C=O 271570a_200011019289_100000186029 [0,2,0,0,0,0|0,0,2]=4 11440 B13R1.3 CC(O)C=Cc1ccc(cc1)CF 271570a_200011019289_100010268989 [0,2,0,0,0,0|0,0,2]=4 11441 B13R1.3 CC(O)C=Cc1ccc(cc1)CN 271570a_200011019289_100016989417 [0,2,0,0,0,0|0,0,2]=4 11442 B13R1.3 CC(O)C=Cc1ccc(cc1)CO 271570a_200011019289_100000690907 [0,2,0,0,0,0|0,0,2]=4 11443 B13R1.3 CC(O)C=Cc1ccc(cc1)NN 271570a_200011019289_100016988836 [0,2,0,0,0,0|0,0,2]=4 11444 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [0,2,0,0,0,0|0,0,0]=2 11445 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [0,2,0,0,0,0|0,0,0]=2 11446 B13R1.3 CC(O)CNc1ccc(cc1)C#N 34a_100000185469_100011218427 [0,2,0,0,0,0|1,0,0]=3 11447 B13R1.3 CC(O)CNc1ccc(cc1)CO 2230a_100011215238_100011218427 [0,2,0,0,0,0|1,0,0]=3 11448 B13R1.3 CC(O)CNc1ccc(cc1)CO 34a_100011215238_100011218427 [0,2,0,0,0,0|1,0,0]=3 11449 B13R1.3 CC(O)CNc1ccc(cn1)C#N 27a_100000210904_100000241038 [0,2,0,0,0,0|2,0,0]=4 11450 B13R1.3 CC(O)COc1ccc(cc1)C#N 34a_100000210344_100011218427 [0,2,0,0,0,0|1,0,0]=3 11451 B13R1.3 CC(O)COc1ccc(cc1)C#N 7a_100000210344_100011218427 [0,2,0,0,0,0|1,0,0]=3 11452 B13R1.3 CC(O)COc1ccc(cc1)CN 34a_100000185549_100011218427 [0,2,0,0,0,0|1,0,0]=3 11453 B13R1.3 CC(O)COc1ccc(cc1)CO 34a_100000211755_100011218427 [0,2,0,0,0,0|1,0,0]=3 11454 B13R1.3 CC(O)COc1ccc(cn1)CN 34a_100000757128_100011218427 [0,2,0,0,0,0|2,0,0]=4 11455 B13R1.3 CC(O)COc1ccc(nc1)C#N 34a_100011934750_100011218427 [0,2,0,0,0,0|2,0,0]=4 11456 B13R1.3 CC(O)COc1ccc(nc1)C#N 7a_100011934750_100011218427 [0,2,0,0,0,0|2,0,0]=4 11457 B13R1.3 CC(O)COc1ccc(nc1)CN 34a_100020605196_100011218427 [0,2,0,0,0,0|2,0,0]=4 11458 B13R1.3 CC(O)COc1ccc(nc1)CO 34a_103436540053_100011218427 [0,2,0,0,0,0|2,0,0]=4 11459 B13R1.3 CC(O)CSc1ccc(cc1)C#N 62a_100011218427_100000184291 [0,2,0,0,0,0|1,0,0]=3 11460 B13R1.3 CC(O)CSc1ccc(cc1)C=O 62a_100000188517_100011218427 [0,2,0,0,0,0|1,0,0]=3 11461 B13R1.3 CC(O)CSc1ccc(cc1)C=O 62a_100011218427_100000188517 [0,2,0,0,0,0|1,0,0]=3 11462 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100010268989_100011218427 [0,2,0,0,0,0|1,0,0]=3 11463 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100011218427_100010268989 [0,2,0,0,0,0|1,0,0]=3 11464 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100011218427_100016989417 [0,2,0,0,0,0|1,0,0]=3 11465 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100016989417_100011218427 [0,2,0,0,0,0|1,0,0]=3 11466 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100000690907_100011218427 [0,2,0,0,0,0|1,0,0]=3 11467 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100011218427_100000690907 [0,2,0,0,0,0|1,0,0]=3 11468 B13R1.3 CC(O)CSc1ccc(cc1)NN 62a_100011218427_100016988836 [0,2,0,0,0,0|1,0,0]=3 11469 B13R1.3 CC(O)CSc1ccc(cc1)NN 62a_100016988836_100011218427 [0,2,0,0,0,0|1,0,0]=3 11470 B13R1.3 CC(O)CSc1ccc(cn1)C#N 62a_100011218427_100000241038 [0,2,0,0,0,0|2,0,0]=4 11471 B13R1.3 CC(O)CSc1ccc(cn1)C=O 62a_100000766901_100011218427 [0,2,0,0,0,0|2,0,0]=4 11472 B13R1.3 CC(O)CSc1ccc(cn1)C=O 62a_100011218427_100000766901 [0,2,0,0,0,0|2,0,0]=4 11473 B13R1.3 CC(O)CSc1ccc(cn1)CN 62a_100000735879_100011218427 [0,2,0,0,0,0|2,0,0]=4 11474 B13R1.3 CC(O)CSc1ccc(cn1)CN 62a_100011218427_100000735879 [0,2,0,0,0,0|2,0,0]=4 11475 B13R1.3 CC(O)CSc1ccc(cn1)CO 62a_100009816760_100011218427 [0,2,0,0,0,0|2,0,0]=4 11476 B13R1.3 CC(O)CSc1ccc(cn1)CO 62a_100011218427_100009816760 [0,2,0,0,0,0|2,0,0]=4 11477 B13R1.3 CC(O)CSc1ccc(cn1)NN 62a_100000755011_100011218427 [0,2,0,0,0,0|2,0,0]=4 11478 B13R1.3 CC(O)CSc1ccc(cn1)NN 62a_100011218427_100000119030 [0,2,0,0,0,0|2,0,0]=4 11479 B13R1.3 CC(O)CSc1ccc(nc1)C#N 62a_100011218427_100000760455 [0,2,0,0,0,0|2,0,0]=4 11480 B13R1.3 CC(O)CSc1ccc(nc1)C=O 62a_100000754260_100011218427 [0,2,0,0,0,0|2,0,0]=4 11481 B13R1.3 CC(O)CSc1ccc(nc1)C=O 62a_100011218427_100000754260 [0,2,0,0,0,0|2,0,0]=4 11482 B13R1.3 CC(O)CSc1ccc(nc1)CN 62a_100011218427_100015188789 [0,2,0,0,0,0|2,0,0]=4 11483 B13R1.3 CC(O)CSc1ccc(nc1)CN 62a_100015188789_100011218427 [0,2,0,0,0,0|2,0,0]=4 11484 B13R1.3 CC(O)CSc1ccc(nc1)CO 62a_100000754261_100011218427 [0,2,0,0,0,0|2,0,0]=4 11485 B13R1.3 CC(O)CSc1ccc(nc1)CO 62a_100011218427_100000754261 [0,2,0,0,0,0|2,0,0]=4 11486 B13R1.3 CC(O)CSc1ccc(nc1)NN 62a_100000750576_100011218427 [0,2,0,0,0,0|2,0,0]=4 11487 B13R1.3 CC(O)CSc1ccc(nc1)NN 62a_100011218427_100000750576 [0,2,0,0,0,0|2,0,0]=4 11488 B13R1.3 CCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011215824 [0,2,0,0,0,0|0,0,2]=4 11489 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,2,0,0,0,0|0,0,2]=4 11490 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,2,0,0,0,0|0,0,2]=4 11491 B13R1.3 CCc1ccc(cc1)CNC(C)C 207a_100138425928_100000211036 [0,2,0,0,0,0|2,0,0]=4 11492 B13R1.3 CCc1ccc(cc1)CNC(C)C 2230a_100000721222_100000210206 [0,2,0,0,0,0|2,0,0]=4 11493 B13R1.3 CCc1ccc(cc1)CNC(C)C 2230a_100138425928_100000747183 [0,2,0,0,0,0|2,0,0]=4 11494 B13R1.3 CCc1ccc(cc1)CNC(C)C 34a_100000721222_100000210206 [0,2,0,0,0,0|2,0,0]=4 11495 B13R1.3 CCc1ccc(cc1)CNC(C)C 34a_100138425928_100000747183 [0,2,0,0,0,0|2,0,0]=4 11496 B13R1.3 CCc1ccc(cc1)COC(C)C 34a_100000212225_100000747183 [0,2,0,0,0,0|2,0,0]=4 11497 B13R1.3 CCc1ccc(cc1)COC(C)C 34a_100000702245_100000210206 [0,2,0,0,0,0|2,0,0]=4 11498 B13R1.3 CCc1ccc(cc1)COC(C)C 7a_100000702245_100000210206 [0,2,0,0,0,0|2,0,0]=4 11499 B13R1.3 CCc1ccc(cc1)CSC(C)C 62a_100000210206_100000747183 [0,2,0,0,0,0|2,0,0]=4 11500 B13R1.3 CCc1ccc(cc1)CSC(C)C 62a_100000757233_100000210206 [0,2,0,0,0,0|2,0,0]=4 11501 B13R1.3 CCc1ccc(cc1)NCC(C)C 2230a_100000211069_100000210760 [0,2,0,0,0,0|2,0,0]=4 11502 B13R1.3 CCc1ccc(cc1)NCC(C)C 34a_100000211069_100000210624 [0,2,0,0,0,0|2,0,0]=4 11503 B13R1.3 CCc1ccc(cc1)NCC(C)O 2230a_100000211069_100011218427 [0,2,0,0,0,0|1,0,0]=3 11504 B13R1.3 CCc1ccc(cc1)NCC(C)O 34a_100000211069_100011218427 [0,2,0,0,0,0|1,0,0]=3 11505 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 2230a_100000211069_100009817552 [0,2,0,0,0,0|1,0,0]=3 11506 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 34a_100000211069_100009817552 [0,2,0,0,0,0|1,0,0]=3 11507 B13R1.3 CCc1ccc(cc1)OCC(C)C 34a_100000211359_100000210624 [0,2,0,0,0,0|2,0,0]=4 11508 B13R1.3 CCc1ccc(cc1)OCC(C)C 7a_100000211359_100000210760 [0,2,0,0,0,0|2,0,0]=4 11509 B13R1.3 CCc1ccc(cc1)OCC(C)O 34a_100000211359_100011218427 [0,2,0,0,0,0|1,0,0]=3 11510 B13R1.3 CCc1ccc(cc1)OCC(C)O 7a_100000211359_100011218427 [0,2,0,0,0,0|1,0,0]=3 11511 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 34a_100000211359_100009817552 [0,2,0,0,0,0|1,0,0]=3 11512 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 7a_100000211359_100009817552 [0,2,0,0,0,0|1,0,0]=3 11513 B13R1.3 CCc1ccc(cc1)SCC(C)C 62a_100000210624_100011215824 [0,2,0,0,0,0|2,0,0]=4 11514 B13R1.3 CCc1ccc(cc1)SCC(C)C 62a_100011215824_100000210760 [0,2,0,0,0,0|2,0,0]=4 11515 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011215824_100011218427 [0,2,0,0,0,0|1,0,0]=3 11516 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011218427_100011215824 [0,2,0,0,0,0|1,0,0]=3 11517 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011215824 [0,2,0,0,0,0|1,0,0]=3 11518 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100011215824_100009817552 [0,2,0,0,0,0|1,0,0]=3 11519 B13R1.3 CCc1ccc(cn1)SCC(C)O 62a_100009820025_100011218427 [0,2,0,0,0,0|2,0,0]=4 11520 B13R1.3 CCc1ccc(cn1)SCC(C)O 62a_100011218427_100009820025 [0,2,0,0,0,0|2,0,0]=4 11521 B13R1.3 CCc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100009820025 [0,2,0,0,0,0|2,0,0]=4 11522 B13R1.3 CCc1ccc(cn1)SC[C@@H](C)O 62a_100009820025_100009817552 [0,2,0,0,0,0|2,0,0]=4 11523 B13R1.3 CCc1ccc(nc1)SCC(C)O 62a_100009843584_100011218427 [0,2,0,0,0,0|2,0,0]=4 11524 B13R1.3 CCc1ccc(nc1)SCC(C)O 62a_100011218427_100009843584 [0,2,0,0,0,0|2,0,0]=4 11525 B13R1.3 CCc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100009843584 [0,2,0,0,0,0|2,0,0]=4 11526 B13R1.3 CCc1ccc(nc1)SC[C@@H](C)O 62a_100009843584_100009817552 [0,2,0,0,0,0|2,0,0]=4 11527 B13R1.3 CN(C)CCc1ccc(cc1)C#N 2230a_100102631434_100012161189 [0,2,0,0,0,0|2,0,0]=4 11528 B13R1.3 CN(C)CCc1ccc(cc1)C#N 269982a_100102631434_100012161189 [0,2,0,0,0,0|2,0,0]=4 11529 B13R1.3 CNc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000219623 [0,2,0,0,0,0|0,0,2]=4 11530 B13R1.3 CNc1ccc(cc1)OCC(C)C 27a_100102657272_200000169949 [0,2,0,0,0,0|2,0,0]=4 11531 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_100000182112_100000210624 [0,2,0,0,0,0|2,0,0]=4 11532 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_200000243789_200000210301 [0,2,0,0,0,0|2,0,0]=4 11533 B13R1.3 CNc1ccc(cc1)OCC(C)O 34a_100000182112_100011218427 [0,2,0,0,0,0|1,0,0]=3 11534 B13R1.3 CNc1ccc(cc1)OC[C@@H](C)O 34a_100000182112_100009817552 [0,2,0,0,0,0|1,0,0]=3 11535 B13R1.3 CNc1ccc(cc1)SCC(C)C 62a_100000210624_100000743151 [0,2,0,0,0,0|2,0,0]=4 11536 B13R1.3 CNc1ccc(cc1)SCC(C)C 62a_100000743151_100000210760 [0,2,0,0,0,0|2,0,0]=4 11537 B13R1.3 CNc1ccc(cc1)SCC(C)O 62a_100000743151_100011218427 [0,2,0,0,0,0|1,0,0]=3 11538 B13R1.3 CNc1ccc(cc1)SCC(C)O 62a_100011218427_100000743151 [0,2,0,0,0,0|1,0,0]=3 11539 B13R1.3 CNc1ccc(cc1)SC[C@@H](C)O 62a_100000743151_100009817552 [0,2,0,0,0,0|1,0,0]=3 11540 B13R1.3 CNc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000743151 [0,2,0,0,0,0|1,0,0]=3 11541 B13R1.3 CNc1ccc(cn1)SCC(C)O 62a_100000741341_100011218427 [0,2,0,0,0,0|2,0,0]=4 11542 B13R1.3 CNc1ccc(cn1)SCC(C)O 62a_100011218427_100000741341 [0,2,0,0,0,0|2,0,0]=4 11543 B13R1.3 CNc1ccc(cn1)SC[C@@H](C)O 62a_100000741341_100009817552 [0,2,0,0,0,0|2,0,0]=4 11544 B13R1.3 CNc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000741341 [0,2,0,0,0,0|2,0,0]=4 11545 B13R1.3 CNc1ccc(nc1)SCC(C)O 62a_100000764248_100011218427 [0,2,0,0,0,0|2,0,0]=4 11546 B13R1.3 CNc1ccc(nc1)SCC(C)O 62a_100011218427_100000764248 [0,2,0,0,0,0|2,0,0]=4 11547 B13R1.3 CNc1ccc(nc1)SC[C@@H](C)O 62a_100000764248_100009817552 [0,2,0,0,0,0|2,0,0]=4 11548 B13R1.3 CNc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000764248 [0,2,0,0,0,0|2,0,0]=4 11549 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,2,0,0,0,0|0,0,2]=4 11550 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,2,0,0,0,0|0,0,2]=4 11551 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,2,0,0,0,0|0,0,2]=4 11552 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,2,0,0,0,0|0,0,2]=4 11553 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,2,0,0,0,0|0,0,2]=4 11554 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,2,0,0,0,0|0,0,2]=4 11555 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [0,2,0,0,0,0|0,0,0]=2 11556 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [0,2,0,0,0,0|0,0,0]=2 11557 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100000225672_200000210301 [0,2,0,0,0,0|2,0,0]=4 11558 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713689 [0,2,0,0,0,0|2,0,0]=4 11559 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100000225672_200000210301 [0,2,0,0,0,0|2,0,0]=4 11560 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100102631434_100000184700 [0,2,0,0,0,0|2,0,0]=4 11561 B13R1.3 COc1ccc(cc1)CCN(C)C 270004a_100102631434_100011242372 [0,2,0,0,0,0|2,0,0]=4 11562 B13R1.3 COc1ccc(cc1)CCN(C)C 34a_100000225672_200000210301 [0,2,0,0,0,0|2,0,0]=4 11563 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 2230a_100000225672_200025704644 [0,2,0,0,0,0|2,0,0]=4 11564 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 269982a_100000225672_200025704644 [0,2,0,0,0,0|2,0,0]=4 11565 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 34a_100000225672_200025704644 [0,2,0,0,0,0|2,0,0]=4 11566 B13R1.3 COc1ccc(cc1)CNC(C)C 207a_100138425928_100000169835 [0,2,0,0,0,0|2,0,0]=4 11567 B13R1.3 COc1ccc(cc1)CNC(C)C 2230a_100138425928_100000742318 [0,2,0,0,0,0|2,0,0]=4 11568 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100000185587_100000210206 [0,2,0,0,0,0|2,0,0]=4 11569 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100138425928_100000742318 [0,2,0,0,0,0|2,0,0]=4 11570 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000173359_100000210206 [0,2,0,0,0,0|2,0,0]=4 11571 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000212225_100000742318 [0,2,0,0,0,0|2,0,0]=4 11572 B13R1.3 COc1ccc(cc1)CSC(C)C 62a_100000210206_100000742318 [0,2,0,0,0,0|2,0,0]=4 11573 B13R1.3 COc1ccc(cc1)NCC(C)C 34a_100000184247_100000210624 [0,2,0,0,0,0|2,0,0]=4 11574 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [0,2,0,0,0,0|1,0,0]=3 11575 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [0,2,0,0,0,0|1,0,0]=3 11576 B13R1.3 COc1ccc(cc1)OCC(C)C 34a_100000210503_100000210624 [0,2,0,0,0,0|2,0,0]=4 11577 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,2,0,0,0,0|1,0,0]=3 11578 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,2,0,0,0,0|1,0,0]=3 11579 B13R1.3 COc1ccc(cc1)SCC(C)C 62a_100000210624_100000171711 [0,2,0,0,0,0|2,0,0]=4 11580 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [0,2,0,0,0,0|1,0,0]=3 11581 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [0,2,0,0,0,0|1,0,0]=3 11582 B13R1.3 COc1ccc(cn1)OCC(C)O 34a_100011934560_100011218427 [0,2,0,0,0,0|2,0,0]=4 11583 B13R1.3 COc1ccc(cn1)OC[C@@H](C)O 34a_100011934560_100009817552 [0,2,0,0,0,0|2,0,0]=4 11584 B13R1.3 COc1ccc(cn1)SCC(C)O 62a_100000047065_100011218427 [0,2,0,0,0,0|2,0,0]=4 11585 B13R1.3 COc1ccc(cn1)SCC(C)O 62a_100011218427_100000047065 [0,2,0,0,0,0|2,0,0]=4 11586 B13R1.3 COc1ccc(cn1)SC[C@@H](C)O 62a_100000047065_100009817552 [0,2,0,0,0,0|2,0,0]=4 11587 B13R1.3 COc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000047065 [0,2,0,0,0,0|2,0,0]=4 11588 B13R1.3 COc1ccc(nc1)OCC(C)O 34a_100012002028_100011218427 [0,2,0,0,0,0|2,0,0]=4 11589 B13R1.3 COc1ccc(nc1)OC[C@@H](C)O 34a_100012002028_100009817552 [0,2,0,0,0,0|2,0,0]=4 11590 B13R1.3 COc1ccc(nc1)SCC(C)O 62a_100000755202_100011218427 [0,2,0,0,0,0|2,0,0]=4 11591 B13R1.3 COc1ccc(nc1)SCC(C)O 62a_100011218427_100000744180 [0,2,0,0,0,0|2,0,0]=4 11592 B13R1.3 COc1ccc(nc1)SC[C@@H](C)O 62a_100000755202_100009817552 [0,2,0,0,0,0|2,0,0]=4 11593 B13R1.3 COc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000744180 [0,2,0,0,0,0|2,0,0]=4 11594 B13R1.3 CSc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011263217 [0,2,0,0,0,0|0,0,2]=4 11595 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,2,0,0,0,0|0,0,2]=4 11596 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,2,0,0,0,0|0,0,2]=4 11597 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,2,0,0,0,0|0,0,2]=4 11598 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,2,0,0,0,0|0,0,2]=4 11599 B13R1.3 CSc1ccc(cc1)CNC(C)C 207a_100138425928_100000211154 [0,2,0,0,0,0|2,0,0]=4 11600 B13R1.3 CSc1ccc(cc1)CNC(C)C 2230a_100000174980_100000210206 [0,2,0,0,0,0|2,0,0]=4 11601 B13R1.3 CSc1ccc(cc1)CNC(C)C 2230a_100138425928_100000181263 [0,2,0,0,0,0|2,0,0]=4 11602 B13R1.3 CSc1ccc(cc1)CNC(C)C 34a_100000174980_100000210206 [0,2,0,0,0,0|2,0,0]=4 11603 B13R1.3 CSc1ccc(cc1)CNC(C)C 34a_100138425928_100000181263 [0,2,0,0,0,0|2,0,0]=4 11604 B13R1.3 CSc1ccc(cc1)CNC(C)C 62a_100000195760_200000210301 [0,2,0,0,0,0|2,0,0]=4 11605 B13R1.3 CSc1ccc(cc1)CNC(C)C 62a_200000210301_100000195760 [0,2,0,0,0,0|2,0,0]=4 11606 B13R1.3 CSc1ccc(cc1)COC(C)C 34a_100000212225_100000181263 [0,2,0,0,0,0|2,0,0]=4 11607 B13R1.3 CSc1ccc(cc1)COC(C)C 34a_100011215404_100000210206 [0,2,0,0,0,0|2,0,0]=4 11608 B13R1.3 CSc1ccc(cc1)COC(C)C 62a_100000758563_200000210301 [0,2,0,0,0,0|2,0,0]=4 11609 B13R1.3 CSc1ccc(cc1)COC(C)C 62a_200000210301_100000758563 [0,2,0,0,0,0|2,0,0]=4 11610 B13R1.3 CSc1ccc(cc1)COC(C)C 7a_100011215404_100000210206 [0,2,0,0,0,0|2,0,0]=4 11611 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000173087_200000210301 [0,2,0,0,0,0|2,0,0]=4 11612 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000181263_100000210206 [0,2,0,0,0,0|2,0,0]=4 11613 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_100000210206_100000181263 [0,2,0,0,0,0|2,0,0]=4 11614 B13R1.3 CSc1ccc(cc1)CSC(C)C 62a_200000210301_100000173087 [0,2,0,0,0,0|2,0,0]=4 11615 B13R1.3 CSc1ccc(cc1)NCC(C)C 34a_100000212337_100000210624 [0,2,0,0,0,0|2,0,0]=4 11616 B13R1.3 CSc1ccc(cc1)NCC(C)C 62a_200000210301_200011231703 [0,2,0,0,0,0|2,0,0]=4 11617 B13R1.3 CSc1ccc(cc1)NCC(C)C 62a_200011231703_200000210301 [0,2,0,0,0,0|2,0,0]=4 11618 B13R1.3 CSc1ccc(cc1)NCC(C)O 34a_100000212337_100011218427 [0,2,0,0,0,0|1,0,0]=3 11619 B13R1.3 CSc1ccc(cc1)NC[C@@H](C)O 34a_100000212337_100009817552 [0,2,0,0,0,0|1,0,0]=3 11620 B13R1.3 CSc1ccc(cc1)OCC(C)C 34a_100000211864_100000210624 [0,2,0,0,0,0|2,0,0]=4 11621 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000169949_200000210301 [0,2,0,0,0,0|2,0,0]=4 11622 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000210301_200000169949 [0,2,0,0,0,0|2,0,0]=4 11623 B13R1.3 CSc1ccc(cc1)OCC(C)O 34a_100000211864_100011218427 [0,2,0,0,0,0|1,0,0]=3 11624 B13R1.3 CSc1ccc(cc1)OC[C@@H](C)O 34a_100000211864_100009817552 [0,2,0,0,0,0|1,0,0]=3 11625 B13R1.3 CSc1ccc(cc1)SCC(C)C 62a_100000210624_100011263217 [0,2,0,0,0,0|2,0,0]=4 11626 B13R1.3 CSc1ccc(cc1)SCC(C)C 62a_100011263217_100000210760 [0,2,0,0,0,0|2,0,0]=4 11627 B13R1.3 CSc1ccc(cc1)SCC(C)O 62a_100011218427_100011263217 [0,2,0,0,0,0|1,0,0]=3 11628 B13R1.3 CSc1ccc(cc1)SCC(C)O 62a_100011263217_100011218427 [0,2,0,0,0,0|1,0,0]=3 11629 B13R1.3 CSc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011263217 [0,2,0,0,0,0|1,0,0]=3 11630 B13R1.3 CSc1ccc(cc1)SC[C@@H](C)O 62a_100011263217_100009817552 [0,2,0,0,0,0|1,0,0]=3 11631 B13R1.3 CSc1ccc(cn1)SCC(C)O 62a_100011218427_100011408404 [0,2,0,0,0,0|2,0,0]=4 11632 B13R1.3 CSc1ccc(cn1)SCC(C)O 62a_100011408404_100011218427 [0,2,0,0,0,0|2,0,0]=4 11633 B13R1.3 CSc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100011408404 [0,2,0,0,0,0|2,0,0]=4 11634 B13R1.3 CSc1ccc(cn1)SC[C@@H](C)O 62a_100011408404_100009817552 [0,2,0,0,0,0|2,0,0]=4 11635 B13R1.3 CSc1ccc(nc1)NCC(C)O 27a_100000210904_100009820866 [0,2,0,0,0,0|2,0,0]=4 11636 B13R1.3 CSc1ccc(nc1)SCC(C)O 62a_100009820866_100011218427 [0,2,0,0,0,0|2,0,0]=4 11637 B13R1.3 CSc1ccc(nc1)SCC(C)O 62a_100011218427_100009820866 [0,2,0,0,0,0|2,0,0]=4 11638 B13R1.3 CSc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100009820866 [0,2,0,0,0,0|2,0,0]=4 11639 B13R1.3 CSc1ccc(nc1)SC[C@@H](C)O 62a_100009820866_100009817552 [0,2,0,0,0,0|2,0,0]=4 11640 B13R1.3 C[C@@H](O)CNc1ccc(cc1)C#N 34a_100000185469_100009817552 [0,2,0,0,0,0|1,0,0]=3 11641 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 2230a_100011215238_100009817552 [0,2,0,0,0,0|1,0,0]=3 11642 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 34a_100011215238_100009817552 [0,2,0,0,0,0|1,0,0]=3 11643 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 34a_100000210344_100009817552 [0,2,0,0,0,0|1,0,0]=3 11644 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 7a_100000210344_100009817552 [0,2,0,0,0,0|1,0,0]=3 11645 B13R1.3 C[C@@H](O)COc1ccc(cc1)CN 34a_100000185549_100009817552 [0,2,0,0,0,0|1,0,0]=3 11646 B13R1.3 C[C@@H](O)COc1ccc(cc1)CO 34a_100000211755_100009817552 [0,2,0,0,0,0|1,0,0]=3 11647 B13R1.3 C[C@@H](O)COc1ccc(cn1)CN 34a_100000757128_100009817552 [0,2,0,0,0,0|2,0,0]=4 11648 B13R1.3 C[C@@H](O)COc1ccc(nc1)C#N 34a_100011934750_100009817552 [0,2,0,0,0,0|2,0,0]=4 11649 B13R1.3 C[C@@H](O)COc1ccc(nc1)C#N 7a_100011934750_100009817552 [0,2,0,0,0,0|2,0,0]=4 11650 B13R1.3 C[C@@H](O)COc1ccc(nc1)CN 34a_100020605196_100009817552 [0,2,0,0,0,0|2,0,0]=4 11651 B13R1.3 C[C@@H](O)COc1ccc(nc1)CO 34a_103436540053_100009817552 [0,2,0,0,0,0|2,0,0]=4 11652 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C#N 62a_100009817552_100000184291 [0,2,0,0,0,0|1,0,0]=3 11653 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C=O 62a_100000188517_100009817552 [0,2,0,0,0,0|1,0,0]=3 11654 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C=O 62a_100009817552_100000188517 [0,2,0,0,0,0|1,0,0]=3 11655 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100009817552_100010268989 [0,2,0,0,0,0|1,0,0]=3 11656 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100010268989_100009817552 [0,2,0,0,0,0|1,0,0]=3 11657 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100009817552_100016989417 [0,2,0,0,0,0|1,0,0]=3 11658 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100016989417_100009817552 [0,2,0,0,0,0|1,0,0]=3 11659 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100000690907_100009817552 [0,2,0,0,0,0|1,0,0]=3 11660 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100009817552_100000690907 [0,2,0,0,0,0|1,0,0]=3 11661 B13R1.3 C[C@@H](O)CSc1ccc(cc1)NN 62a_100009817552_100016988836 [0,2,0,0,0,0|1,0,0]=3 11662 B13R1.3 C[C@@H](O)CSc1ccc(cc1)NN 62a_100016988836_100009817552 [0,2,0,0,0,0|1,0,0]=3 11663 B13R1.3 C[C@@H](O)CSc1ccc(cn1)C#N 62a_100009817552_100000241038 [0,2,0,0,0,0|2,0,0]=4 11664 B13R1.3 C[C@@H](O)CSc1ccc(cn1)C=O 62a_100000766901_100009817552 [0,2,0,0,0,0|2,0,0]=4 11665 B13R1.3 C[C@@H](O)CSc1ccc(cn1)C=O 62a_100009817552_100000766901 [0,2,0,0,0,0|2,0,0]=4 11666 B13R1.3 C[C@@H](O)CSc1ccc(cn1)CN 62a_100000735879_100009817552 [0,2,0,0,0,0|2,0,0]=4 11667 B13R1.3 C[C@@H](O)CSc1ccc(cn1)CN 62a_100009817552_100000735879 [0,2,0,0,0,0|2,0,0]=4 11668 B13R1.3 C[C@@H](O)CSc1ccc(cn1)CO 62a_100009816760_100009817552 [0,2,0,0,0,0|2,0,0]=4 11669 B13R1.3 C[C@@H](O)CSc1ccc(cn1)CO 62a_100009817552_100009816760 [0,2,0,0,0,0|2,0,0]=4 11670 B13R1.3 C[C@@H](O)CSc1ccc(cn1)NN 62a_100000755011_100009817552 [0,2,0,0,0,0|2,0,0]=4 11671 B13R1.3 C[C@@H](O)CSc1ccc(cn1)NN 62a_100009817552_100000119030 [0,2,0,0,0,0|2,0,0]=4 11672 B13R1.3 C[C@@H](O)CSc1ccc(nc1)C#N 62a_100009817552_100000760455 [0,2,0,0,0,0|2,0,0]=4 11673 B13R1.3 C[C@@H](O)CSc1ccc(nc1)C=O 62a_100000754260_100009817552 [0,2,0,0,0,0|2,0,0]=4 11674 B13R1.3 C[C@@H](O)CSc1ccc(nc1)C=O 62a_100009817552_100000754260 [0,2,0,0,0,0|2,0,0]=4 11675 B13R1.3 C[C@@H](O)CSc1ccc(nc1)CN 62a_100009817552_100015188789 [0,2,0,0,0,0|2,0,0]=4 11676 B13R1.3 C[C@@H](O)CSc1ccc(nc1)CN 62a_100015188789_100009817552 [0,2,0,0,0,0|2,0,0]=4 11677 B13R1.3 C[C@@H](O)CSc1ccc(nc1)CO 62a_100000754261_100009817552 [0,2,0,0,0,0|2,0,0]=4 11678 B13R1.3 C[C@@H](O)CSc1ccc(nc1)CO 62a_100009817552_100000754261 [0,2,0,0,0,0|2,0,0]=4 11679 B13R1.3 C[C@@H](O)CSc1ccc(nc1)NN 62a_100000750576_100009817552 [0,2,0,0,0,0|2,0,0]=4 11680 B13R1.3 C[C@@H](O)CSc1ccc(nc1)NN 62a_100009817552_100000750576 [0,2,0,0,0,0|2,0,0]=4 11681 B13R1.3 [13CH3]C(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200025704644 [0,2,0,0,0,0|0,0,2]=4 11682 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 2230a_100000707721_100011217064 [0,2,0,0,0,0|2,0,0]=4 11683 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 270004a_100000707721_100000186029 [0,2,0,0,0,0|2,0,0]=4 11684 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 34a_100000174875_200000035995 [0,2,0,0,0,0|2,0,0]=4 11685 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 34a_100000707721_100000189115 [0,2,0,0,0,0|2,0,0]=4 11686 B13R1.14 C#CC(C)NCc1ccc(cc1)C 2230a_100000707721_100000210814 [0,2,0,0,0,0|2,0,0]=4 11687 B13R1.14 C#CC(C)NCc1ccc(cc1)C 270004a_100000707721_100000211033 [0,2,0,0,0,0|2,0,0]=4 11688 B13R1.14 C#CC(C)NCc1ccc(cc1)C 34a_100000174908_200000035995 [0,2,0,0,0,0|2,0,0]=4 11689 B13R1.14 C#CC(C)NCc1ccc(cc1)C 34a_100000707721_100000210814 [0,2,0,0,0,0|2,0,0]=4 11690 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 2230a_100000707721_100000694040 [0,2,0,0,0,0|2,0,0]=4 11691 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 270004a_100000707721_100000189385 [0,2,0,0,0,0|2,0,0]=4 11692 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 34a_100000174871_200000035995 [0,2,0,0,0,0|2,0,0]=4 11693 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 34a_100000707721_100000694040 [0,2,0,0,0,0|2,0,0]=4 11694 B13R1.14 C#CC(C)NCc1ccc(cc1)F 2230a_100000707721_100000198546 [0,2,0,0,0,0|2,0,0]=4 11695 B13R1.14 C#CC(C)NCc1ccc(cc1)F 270004a_100000707721_100000210084 [0,2,0,0,0,0|2,0,0]=4 11696 B13R1.14 C#CC(C)NCc1ccc(cc1)F 34a_100000174882_200000035995 [0,2,0,0,0,0|2,0,0]=4 11697 B13R1.14 C#CC(C)NCc1ccc(cc1)F 34a_100000707721_100000198546 [0,2,0,0,0,0|2,0,0]=4 11698 B13R1.14 C#CC(C)NCc1ccc(cc1)I 2230a_100000707721_100000189116 [0,2,0,0,0,0|2,0,0]=4 11699 B13R1.14 C#CC(C)NCc1ccc(cc1)I 34a_100000707721_100000189116 [0,2,0,0,0,0|2,0,0]=4 11700 B13R1.14 C#CC(C)NCc1ccc(cc1)I 34a_100016989417_200000035995 [0,2,0,0,0,0|2,0,0]=4 11701 B13R1.14 C#CC(C)NCc1ccc(cc1)O 34a_100000185549_200000035995 [0,2,0,0,0,0|2,0,0]=4 11702 B13R1.14 C#CC(C)OCc1ccc(cc1)Br 34a_100000695286_200000035995 [0,2,0,0,0,0|2,0,0]=4 11703 B13R1.14 C#CC(C)OCc1ccc(cc1)C 34a_100011215236_200000035995 [0,2,0,0,0,0|2,0,0]=4 11704 B13R1.14 C#CC(C)OCc1ccc(cc1)Cl 34a_100000211118_200000035995 [0,2,0,0,0,0|2,0,0]=4 11705 B13R1.14 C#CC(C)OCc1ccc(cc1)F 34a_100000210977_200000035995 [0,2,0,0,0,0|2,0,0]=4 11706 B13R1.14 C#CC(C)OCc1ccc(cc1)I 34a_100000690907_200000035995 [0,2,0,0,0,0|2,0,0]=4 11707 B13R1.14 C#CC(C)OCc1ccc(cc1)N 34a_100011215238_200000035995 [0,2,0,0,0,0|2,0,0]=4 11708 B13R1.14 C#CC(C)SCc1ccc(cc1)Br 62a_200000035995_100000189115 [0,2,0,0,0,0|2,0,0]=4 11709 B13R1.14 C#CC(C)SCc1ccc(cc1)C 62a_200000035995_100000210814 [0,2,0,0,0,0|2,0,0]=4 11710 B13R1.14 C#CC(C)SCc1ccc(cc1)Cl 62a_200000035995_100000187161 [0,2,0,0,0,0|2,0,0]=4 11711 B13R1.14 C#CC(C)SCc1ccc(cc1)F 62a_200000035995_100000187164 [0,2,0,0,0,0|2,0,0]=4 11712 B13R1.14 C#CC(C)SCc1ccc(cc1)I 62a_200000035995_100000189116 [0,2,0,0,0,0|2,0,0]=4 11713 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 34a_100009815206_100000189115 [0,2,0,0,0,0|2,0,0]=4 11714 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 7a_100009815206_100011217064 [0,2,0,0,0,0|2,0,0]=4 11715 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 34a_100009815206_100000210814 [0,2,0,0,0,0|2,0,0]=4 11716 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 7a_100009815206_100000210814 [0,2,0,0,0,0|2,0,0]=4 11717 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 34a_100009815206_100000694040 [0,2,0,0,0,0|2,0,0]=4 11718 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 7a_100009815206_100000187161 [0,2,0,0,0,0|2,0,0]=4 11719 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 34a_100009815206_100000198546 [0,2,0,0,0,0|2,0,0]=4 11720 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 7a_100009815206_100000198546 [0,2,0,0,0,0|2,0,0]=4 11721 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 34a_100009815206_100000189116 [0,2,0,0,0,0|2,0,0]=4 11722 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 7a_100009815206_100000189116 [0,2,0,0,0,0|2,0,0]=4 11723 B13R1.14 C=CC(C)OCc1ccc(cc1)Br 34a_100000695699_100000189115 [0,2,0,0,0,0|2,0,0]=4 11724 B13R1.14 C=CC(C)OCc1ccc(cc1)C 34a_100000695699_100000210814 [0,2,0,0,0,0|2,0,0]=4 11725 B13R1.14 C=CC(C)OCc1ccc(cc1)Cl 34a_100000695699_100000694040 [0,2,0,0,0,0|2,0,0]=4 11726 B13R1.14 C=CC(C)OCc1ccc(cc1)F 34a_100000695699_100000198546 [0,2,0,0,0,0|2,0,0]=4 11727 B13R1.14 C=CC(C)OCc1ccc(cc1)I 34a_100000695699_100000189116 [0,2,0,0,0,0|2,0,0]=4 11728 B13R1.14 C=CC(C)SCc1ccc(cc1)Br 62a_100011215867_100000189115 [0,2,0,0,0,0|2,0,0]=4 11729 B13R1.14 C=CC(C)SCc1ccc(cc1)C 62a_100011215867_100000210814 [0,2,0,0,0,0|2,0,0]=4 11730 B13R1.14 C=CC(C)SCc1ccc(cc1)Cl 62a_100011215867_100000187161 [0,2,0,0,0,0|2,0,0]=4 11731 B13R1.14 C=CC(C)SCc1ccc(cc1)F 62a_100011215867_100000187164 [0,2,0,0,0,0|2,0,0]=4 11732 B13R1.14 C=CC(C)SCc1ccc(cc1)I 62a_100011215867_100000189116 [0,2,0,0,0,0|2,0,0]=4 11733 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100000730141 [0,2,0,0,0,0|1,0,1]=4 11734 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 34a_100000210018_100000730141 [0,2,0,0,0,0|1,0,1]=4 11735 B13R1.14 C=CC(O)CNc1ccc(cc1)C 34a_100000124888_100000730141 [0,2,0,0,0,0|1,0,1]=4 11736 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100000730141 [0,2,0,0,0,0|1,0,1]=4 11737 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100000730141 [0,2,0,0,0,0|1,0,1]=4 11738 B13R1.14 C=CC(O)CNc1ccc(cc1)F 34a_100000185862_100000730141 [0,2,0,0,0,0|1,0,1]=4 11739 B13R1.14 C=CC(O)CNc1ccc(cc1)I 34a_100000185761_100000730141 [0,2,0,0,0,0|1,0,1]=4 11740 B13R1.14 C=CC(O)CNc1ccc(cc1)O 34a_100000185829_100000730141 [0,2,0,0,0,0|1,0,1]=4 11741 B13R1.14 C=CC(O)COc1ccc(cc1)Br 34a_100000185759_100000730141 [0,2,0,0,0,0|1,0,1]=4 11742 B13R1.14 C=CC(O)COc1ccc(cc1)Br 7a_100000185759_100000730141 [0,2,0,0,0,0|1,0,1]=4 11743 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [0,2,0,0,0,0|1,0,1]=4 11744 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [0,2,0,0,0,0|1,0,1]=4 11745 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 34a_100000210216_100000730141 [0,2,0,0,0,0|1,0,1]=4 11746 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 7a_100000210216_100000730141 [0,2,0,0,0,0|1,0,1]=4 11747 B13R1.14 C=CC(O)COc1ccc(cc1)F 34a_100000210339_100000730141 [0,2,0,0,0,0|1,0,1]=4 11748 B13R1.14 C=CC(O)COc1ccc(cc1)I 34a_100000212066_100000730141 [0,2,0,0,0,0|1,0,1]=4 11749 B13R1.14 C=CC(O)COc1ccc(cc1)I 7a_100000212066_100000730141 [0,2,0,0,0,0|1,0,1]=4 11750 B13R1.14 C=CC(O)COc1ccc(cc1)N 34a_100000185829_100000730141 [0,2,0,0,0,0|1,0,1]=4 11751 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000730141_100000752885 [0,2,0,0,0,0|1,0,1]=4 11752 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000752885_100000730141 [0,2,0,0,0,0|1,0,1]=4 11753 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000186775_100000730141 [0,2,0,0,0,0|1,0,1]=4 11754 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000730141_100000186775 [0,2,0,0,0,0|1,0,1]=4 11755 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000730141_100000755918 [0,2,0,0,0,0|1,0,1]=4 11756 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100000730141 [0,2,0,0,0,0|1,0,1]=4 11757 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000211213_100000730141 [0,2,0,0,0,0|1,0,1]=4 11758 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000730141_100000211213 [0,2,0,0,0,0|1,0,1]=4 11759 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000185761_100000730141 [0,2,0,0,0,0|1,0,1]=4 11760 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000730141_100000185761 [0,2,0,0,0,0|1,0,1]=4 11761 B13R1.14 C=CC(O)CSc1ccc(cc1)O 62a_100000730141_100000185759 [0,2,0,0,0,0|1,0,1]=4 11762 B13R1.14 CC(C#N)NCc1ccc(cc1)Br 2230a_100000174875_100000184139 [0,2,0,0,0,0|2,0,0]=4 11763 B13R1.14 CC(C#N)NCc1ccc(cc1)Br 2230a_100000737613_100011217064 [0,2,0,0,0,0|2,0,0]=4 11764 B13R1.14 CC(C#N)NCc1ccc(cc1)Cl 2230a_100000174871_100000184139 [0,2,0,0,0,0|2,0,0]=4 11765 B13R1.14 CC(C#N)NCc1ccc(cc1)Cl 2230a_100000737613_100000694040 [0,2,0,0,0,0|2,0,0]=4 11766 B13R1.14 CC(C#N)NCc1ccc(cc1)F 2230a_100000174882_100000184139 [0,2,0,0,0,0|2,0,0]=4 11767 B13R1.14 CC(C#N)NCc1ccc(cc1)F 2230a_100000737613_100000198546 [0,2,0,0,0,0|2,0,0]=4 11768 B13R1.14 CC(C#N)NCc1ccc(cc1)I 2230a_100000737613_100000189116 [0,2,0,0,0,0|2,0,0]=4 11769 B13R1.14 CC(C#N)NCc1ccc(cc1)I 2230a_100016989417_100000184139 [0,2,0,0,0,0|2,0,0]=4 11770 B13R1.14 CC(C#N)OCc1ccc(cc1)Br 34a_100011218135_100000189115 [0,2,0,0,0,0|2,0,0]=4 11771 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 34a_100011218135_100000694040 [0,2,0,0,0,0|2,0,0]=4 11772 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 7a_100000211118_100000703298 [0,2,0,0,0,0|2,0,0]=4 11773 B13R1.14 CC(C#N)OCc1ccc(cc1)F 34a_100011218135_100000198546 [0,2,0,0,0,0|2,0,0]=4 11774 B13R1.14 CC(C#N)OCc1ccc(cc1)F 7a_100000210977_100000703298 [0,2,0,0,0,0|2,0,0]=4 11775 B13R1.14 CC(C#N)OCc1ccc(cc1)I 34a_100011218135_100000189116 [0,2,0,0,0,0|2,0,0]=4 11776 B13R1.14 CC(C#N)OCc1ccc(cc1)I 7a_100000690907_100000703298 [0,2,0,0,0,0|2,0,0]=4 11777 B13R1.14 CC(C#N)SCc1ccc(cc1)Br 62a_100000189115_100000703298 [0,2,0,0,0,0|2,0,0]=4 11778 B13R1.14 CC(C#N)SCc1ccc(cc1)Br 62a_100000703298_100000189115 [0,2,0,0,0,0|2,0,0]=4 11779 B13R1.14 CC(C#N)SCc1ccc(cc1)Cl 62a_100000187161_100000703298 [0,2,0,0,0,0|2,0,0]=4 11780 B13R1.14 CC(C#N)SCc1ccc(cc1)Cl 62a_100000703298_100000187161 [0,2,0,0,0,0|2,0,0]=4 11781 B13R1.14 CC(C#N)SCc1ccc(cc1)F 62a_100000198546_100000703298 [0,2,0,0,0,0|2,0,0]=4 11782 B13R1.14 CC(C#N)SCc1ccc(cc1)F 62a_100000703298_100000187164 [0,2,0,0,0,0|2,0,0]=4 11783 B13R1.14 CC(C#N)SCc1ccc(cc1)I 62a_100000189116_100000703298 [0,2,0,0,0,0|2,0,0]=4 11784 B13R1.14 CC(C#N)SCc1ccc(cc1)I 62a_100000703298_100000189116 [0,2,0,0,0,0|2,0,0]=4 11785 B13R1.14 CC(CF)OCc1ccc(cc1)Br 34a_100016041109_100000189115 [0,2,0,0,0,0|2,0,0]=4 11786 B13R1.14 CC(CF)OCc1ccc(cc1)Br 7a_100016041109_100011217064 [0,2,0,0,0,0|2,0,0]=4 11787 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 34a_100016041109_100000694040 [0,2,0,0,0,0|2,0,0]=4 11788 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 7a_100016041109_100000187161 [0,2,0,0,0,0|2,0,0]=4 11789 B13R1.14 CC(CF)OCc1ccc(cc1)F 34a_100016041109_100000198546 [0,2,0,0,0,0|2,0,0]=4 11790 B13R1.14 CC(CF)OCc1ccc(cc1)F 7a_100016041109_100000198546 [0,2,0,0,0,0|2,0,0]=4 11791 B13R1.14 CC(CF)OCc1ccc(cc1)I 34a_100016041109_100000189116 [0,2,0,0,0,0|2,0,0]=4 11792 B13R1.14 CC(CF)OCc1ccc(cc1)I 7a_100016041109_100000189116 [0,2,0,0,0,0|2,0,0]=4 11793 B13R1.14 CC(CN)OCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,2,0,0,0,0|2,0,0]=4 11794 B13R1.14 CC(CN)OCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,2,0,0,0,0|2,0,0]=4 11795 B13R1.14 CC(CN)OCc1ccc(cc1)F 34a_100000210904_100000198546 [0,2,0,0,0,0|2,0,0]=4 11796 B13R1.14 CC(CN)OCc1ccc(cc1)I 34a_100000210904_100000189116 [0,2,0,0,0,0|2,0,0]=4 11797 B13R1.14 CC(CO)CNc1ccc(cn1)Br 27a_100000744482_100000686858 [0,2,0,0,0,0|2,0,0]=4 11798 B13R1.14 CC(CO)NCc1ccc(cc1)Br 2230a_100000174875_100012180447 [0,2,0,0,0,0|1,0,0]=3 11799 B13R1.14 CC(CO)NCc1ccc(cc1)Br 34a_100000174875_100012180447 [0,2,0,0,0,0|1,0,0]=3 11800 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 2230a_100000174871_100012180447 [0,2,0,0,0,0|1,0,0]=3 11801 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 34a_100000174871_100012180447 [0,2,0,0,0,0|1,0,0]=3 11802 B13R1.14 CC(CO)NCc1ccc(cc1)F 2230a_100000174882_100012180447 [0,2,0,0,0,0|1,0,0]=3 11803 B13R1.14 CC(CO)NCc1ccc(cc1)F 34a_100000174882_100012180447 [0,2,0,0,0,0|1,0,0]=3 11804 B13R1.14 CC(CO)NCc1ccc(cc1)I 2230a_100016989417_100012180447 [0,2,0,0,0,0|1,0,0]=3 11805 B13R1.14 CC(CO)NCc1ccc(cc1)I 34a_100016989417_100012180447 [0,2,0,0,0,0|1,0,0]=3 11806 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,2,0,0,0,0|1,0,0]=3 11807 B13R1.14 CC(CO)NCc1ccc(cn1)Br 34a_100015188789_100012180447 [0,2,0,0,0,0|2,0,0]=4 11808 B13R1.14 CC(CO)NCc1ccc(cn1)Cl 34a_100000697193_100012180447 [0,2,0,0,0,0|2,0,0]=4 11809 B13R1.14 CC(CO)NCc1ccc(cn1)F 34a_100020620131_100012180447 [0,2,0,0,0,0|2,0,0]=4 11810 B13R1.14 CC(CO)NCc1ccc(nc1)Br 2230a_100009817727_100012180447 [0,2,0,0,0,0|2,0,0]=4 11811 B13R1.14 CC(CO)NCc1ccc(nc1)Br 34a_100009817727_100012180447 [0,2,0,0,0,0|2,0,0]=4 11812 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 2230a_100000735879_100012180447 [0,2,0,0,0,0|2,0,0]=4 11813 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 34a_100000735879_100012180447 [0,2,0,0,0,0|2,0,0]=4 11814 B13R1.14 CC(CO)NCc1ccc(nc1)F 2230a_100000101913_100012180447 [0,2,0,0,0,0|2,0,0]=4 11815 B13R1.14 CC(CO)NCc1ccc(nc1)F 34a_100000101913_100012180447 [0,2,0,0,0,0|2,0,0]=4 11816 B13R1.14 CC(CO)NCc1ccc(nc1)O 2230a_100000757128_100012180447 [0,2,0,0,0,0|2,0,0]=4 11817 B13R1.14 CC(CO)OCc1cc[n+](cc1)C 34a_100009831711_100012180447 [0,2,0,0,0,0|2,0,0]=4 11818 B13R1.14 CC(CO)OCc1cc[n+](cc1)[O-] 34a_100000031831_100012180447 [0,2,0,0,0,0|2,0,0]=4 11819 B13R1.14 CC(CO)OCc1cc[n+](cc1)[O-] 7a_100000031831_100012180447 [0,2,0,0,0,0|2,0,0]=4 11820 B13R1.14 CC(CO)OCc1ccc(=O)[nH]c1 34a_100011999846_100012180447 [0,2,0,0,0,0|2,0,0]=4 11821 B13R1.14 CC(CO)OCc1ccc(cc1)Br 34a_100000695286_100012180447 [0,2,0,0,0,0|1,0,0]=3 11822 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 34a_100000211118_100012180447 [0,2,0,0,0,0|1,0,0]=3 11823 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 7a_100000211118_100012180447 [0,2,0,0,0,0|1,0,0]=3 11824 B13R1.14 CC(CO)OCc1ccc(cc1)F 34a_100000210977_100012180447 [0,2,0,0,0,0|1,0,0]=3 11825 B13R1.14 CC(CO)OCc1ccc(cc1)F 7a_100000210977_100012180447 [0,2,0,0,0,0|1,0,0]=3 11826 B13R1.14 CC(CO)OCc1ccc(cc1)I 34a_100000690907_100012180447 [0,2,0,0,0,0|1,0,0]=3 11827 B13R1.14 CC(CO)OCc1ccc(cc1)I 7a_100000690907_100012180447 [0,2,0,0,0,0|1,0,0]=3 11828 B13R1.14 CC(CO)OCc1ccc(cc1)N 34a_100011215238_100012180447 [0,2,0,0,0,0|1,0,0]=3 11829 B13R1.14 CC(CO)OCc1ccc(cn1)Br 34a_100000754261_100012180447 [0,2,0,0,0,0|2,0,0]=4 11830 B13R1.14 CC(CO)OCc1ccc(cn1)Cl 34a_100000703999_100012180447 [0,2,0,0,0,0|2,0,0]=4 11831 B13R1.14 CC(CO)OCc1ccc(cn1)F 34a_100011999454_100012180447 [0,2,0,0,0,0|2,0,0]=4 11832 B13R1.14 CC(CO)OCc1ccc(cn1)N 34a_100011998161_100012180447 [0,2,0,0,0,0|2,0,0]=4 11833 B13R1.14 CC(CO)OCc1ccc(nc1)Br 34a_100009816760_100012180447 [0,2,0,0,0,0|2,0,0]=4 11834 B13R1.14 CC(CO)OCc1ccc(nc1)Br 7a_100009816760_100012180447 [0,2,0,0,0,0|2,0,0]=4 11835 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 34a_100000755211_100012180447 [0,2,0,0,0,0|2,0,0]=4 11836 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 7a_100000755211_100012180447 [0,2,0,0,0,0|2,0,0]=4 11837 B13R1.14 CC(CO)OCc1ccc(nc1)F 34a_100000079959_100012180447 [0,2,0,0,0,0|2,0,0]=4 11838 B13R1.14 CC(CO)OCc1ccc(nc1)N 34a_100000704267_100012180447 [0,2,0,0,0,0|2,0,0]=4 11839 B13R1.14 CC(CO)SCc1ccc(cc1)Br 62a_100012180447_100000189115 [0,2,0,0,0,0|1,0,0]=3 11840 B13R1.14 CC(CO)SCc1ccc(cc1)Cl 62a_100012180447_100000187161 [0,2,0,0,0,0|1,0,0]=3 11841 B13R1.14 CC(CO)SCc1ccc(cc1)F 62a_100012180447_100000187164 [0,2,0,0,0,0|1,0,0]=3 11842 B13R1.14 CC(CO)SCc1ccc(cc1)I 62a_100012180447_100000189116 [0,2,0,0,0,0|1,0,0]=3 11843 B13R1.14 CC(CO)SCc1ccc(cn1)Br 62a_100012180447_100000702658 [0,2,0,0,0,0|2,0,0]=4 11844 B13R1.14 CC(CO)SCc1ccc(cn1)Cl 62a_100012180447_100000697101 [0,2,0,0,0,0|2,0,0]=4 11845 B13R1.14 CC(CO)SCc1ccc(cn1)F 62a_100012180447_100000703193 [0,2,0,0,0,0|2,0,0]=4 11846 B13R1.14 CC(CO)SCc1ccc(nc1)Br 62a_100012180447_100009831999 [0,2,0,0,0,0|2,0,0]=4 11847 B13R1.14 CC(CO)SCc1ccc(nc1)Cl 62a_100012180447_100000735431 [0,2,0,0,0,0|2,0,0]=4 11848 B13R1.14 CC(CO)SCc1ccc(nc1)F 62a_100012180447_100000099788 [0,2,0,0,0,0|2,0,0]=4 11849 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [0,2,0,0,0,0|0,0,2]=4 11850 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [0,2,0,0,0,0|0,0,2]=4 11851 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [0,2,0,0,0,0|0,0,2]=4 11852 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [0,2,0,0,0,0|0,0,2]=4 11853 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,2,0,0,0,0|0,0,2]=4 11854 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,2,0,0,0,0|0,0,2]=4 11855 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [0,2,0,0,0,0|0,0,2]=4 11856 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [0,2,0,0,0,0|0,0,2]=4 11857 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [0,2,0,0,0,0|0,0,2]=4 11858 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [0,2,0,0,0,0|0,0,2]=4 11859 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [0,2,0,0,0,0|0,0,2]=4 11860 B13R1.14 CCC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748023 [0,2,0,0,0,0|2,0,0]=4 11861 B13R1.14 CCC(C)CNc1ccc(cc1)Br 34a_100000210018_100000748023 [0,2,0,0,0,0|2,0,0]=4 11862 B13R1.14 CCC(C)CNc1ccc(cc1)C 34a_100000124888_100000748023 [0,2,0,0,0,0|2,0,0]=4 11863 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748023 [0,2,0,0,0,0|2,0,0]=4 11864 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748023 [0,2,0,0,0,0|2,0,0]=4 11865 B13R1.14 CCC(C)CNc1ccc(cc1)F 34a_100000185862_100000748023 [0,2,0,0,0,0|2,0,0]=4 11866 B13R1.14 CCC(C)CNc1ccc(cc1)I 34a_100000185761_100000748023 [0,2,0,0,0,0|2,0,0]=4 11867 B13R1.14 CCC(C)CNc1ccc(cc1)O 34a_100000185829_100000748023 [0,2,0,0,0,0|2,0,0]=4 11868 B13R1.14 CCC(C)COc1ccc(cc1)Br 34a_100000185759_100000748023 [0,2,0,0,0,0|2,0,0]=4 11869 B13R1.14 CCC(C)COc1ccc(cc1)Br 7a_100000185759_100000748023 [0,2,0,0,0,0|2,0,0]=4 11870 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,2,0,0,0,0|2,0,0]=4 11871 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,2,0,0,0,0|2,0,0]=4 11872 B13R1.14 CCC(C)COc1ccc(cc1)Cl 34a_100000210216_100000748023 [0,2,0,0,0,0|2,0,0]=4 11873 B13R1.14 CCC(C)COc1ccc(cc1)Cl 7a_100000210216_100000748023 [0,2,0,0,0,0|2,0,0]=4 11874 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [0,2,0,0,0,0|2,0,0]=4 11875 B13R1.14 CCC(C)COc1ccc(cc1)I 34a_100000212066_100000748023 [0,2,0,0,0,0|2,0,0]=4 11876 B13R1.14 CCC(C)COc1ccc(cc1)I 7a_100000212066_100000748023 [0,2,0,0,0,0|2,0,0]=4 11877 B13R1.14 CCC(C)COc1ccc(cc1)N 34a_100000185829_100000748023 [0,2,0,0,0,0|2,0,0]=4 11878 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000748023_100000752885 [0,2,0,0,0,0|2,0,0]=4 11879 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000752885_100000748023 [0,2,0,0,0,0|2,0,0]=4 11880 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000186775_100000748023 [0,2,0,0,0,0|2,0,0]=4 11881 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000748023_100000186775 [0,2,0,0,0,0|2,0,0]=4 11882 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000748023_100000755918 [0,2,0,0,0,0|2,0,0]=4 11883 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000748023 [0,2,0,0,0,0|2,0,0]=4 11884 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000211213_100000748023 [0,2,0,0,0,0|2,0,0]=4 11885 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000748023_100000211213 [0,2,0,0,0,0|2,0,0]=4 11886 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000185761_100000748023 [0,2,0,0,0,0|2,0,0]=4 11887 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000748023_100000185761 [0,2,0,0,0,0|2,0,0]=4 11888 B13R1.14 CCC(C)CSc1ccc(cc1)O 62a_100000748023_100000185759 [0,2,0,0,0,0|2,0,0]=4 11889 B13R1.14 CCC(C)NCc1ccc(cc1)Br 207a_100000209981_100000186029 [0,2,0,0,0,0|2,0,0]=4 11890 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000758301 [0,2,0,0,0,0|2,0,0]=4 11891 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000209981_100011217064 [0,2,0,0,0,0|2,0,0]=4 11892 B13R1.14 CCC(C)NCc1ccc(cc1)Br 270004a_100000209981_100000186029 [0,2,0,0,0,0|2,0,0]=4 11893 B13R1.14 CCC(C)NCc1ccc(cc1)Br 34a_100000174875_100011215416 [0,2,0,0,0,0|2,0,0]=4 11894 B13R1.14 CCC(C)NCc1ccc(cc1)C 207a_100000209981_100000211033 [0,2,0,0,0,0|2,0,0]=4 11895 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000758301 [0,2,0,0,0,0|2,0,0]=4 11896 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000209981_100000210814 [0,2,0,0,0,0|2,0,0]=4 11897 B13R1.14 CCC(C)NCc1ccc(cc1)C 270004a_100000209981_100000211033 [0,2,0,0,0,0|2,0,0]=4 11898 B13R1.14 CCC(C)NCc1ccc(cc1)C 34a_100000174908_100011215416 [0,2,0,0,0,0|2,0,0]=4 11899 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,2,0,0,0,0|2,0,0]=4 11900 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,2,0,0,0,0|2,0,0]=4 11901 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,2,0,0,0,0|2,0,0]=4 11902 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,2,0,0,0,0|2,0,0]=4 11903 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,2,0,0,0,0|2,0,0]=4 11904 B13R1.14 CCC(C)NCc1ccc(cc1)F 207a_100000209981_100000210084 [0,2,0,0,0,0|2,0,0]=4 11905 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000174882_100000758301 [0,2,0,0,0,0|2,0,0]=4 11906 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000209981_100000198546 [0,2,0,0,0,0|2,0,0]=4 11907 B13R1.14 CCC(C)NCc1ccc(cc1)F 270004a_100000209981_100000210084 [0,2,0,0,0,0|2,0,0]=4 11908 B13R1.14 CCC(C)NCc1ccc(cc1)F 34a_100000174882_100011215416 [0,2,0,0,0,0|2,0,0]=4 11909 B13R1.14 CCC(C)NCc1ccc(cc1)I 207a_100000209981_100000188517 [0,2,0,0,0,0|2,0,0]=4 11910 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100000209981_100000189116 [0,2,0,0,0,0|2,0,0]=4 11911 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100016989417_100000758301 [0,2,0,0,0,0|2,0,0]=4 11912 B13R1.14 CCC(C)NCc1ccc(cc1)I 34a_100016989417_100011215416 [0,2,0,0,0,0|2,0,0]=4 11913 B13R1.14 CCC(C)NCc1ccc(cc1)O 271570a_203496583355_100015186513 [0,2,0,0,0,0|2,0,0]=4 11914 B13R1.14 CCC(C)NCc1ccc(cc1)O 34a_100000185549_100011215416 [0,2,0,0,0,0|2,0,0]=4 11915 B13R1.14 CCC(C)OCc1ccc(cc1)Br 34a_100000695286_100011215416 [0,2,0,0,0,0|2,0,0]=4 11916 B13R1.14 CCC(C)OCc1ccc(cc1)Br 7a_100000210228_100011217064 [0,2,0,0,0,0|2,0,0]=4 11917 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,2,0,0,0,0|2,0,0]=4 11918 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,2,0,0,0,0|2,0,0]=4 11919 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,2,0,0,0,0|2,0,0]=4 11920 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,2,0,0,0,0|2,0,0]=4 11921 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,2,0,0,0,0|2,0,0]=4 11922 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,2,0,0,0,0|2,0,0]=4 11923 B13R1.14 CCC(C)OCc1ccc(cc1)F 34a_100000210977_100011215416 [0,2,0,0,0,0|2,0,0]=4 11924 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210228_100000198546 [0,2,0,0,0,0|2,0,0]=4 11925 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210977_100000758301 [0,2,0,0,0,0|2,0,0]=4 11926 B13R1.14 CCC(C)OCc1ccc(cc1)I 34a_100000690907_100011215416 [0,2,0,0,0,0|2,0,0]=4 11927 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000210228_100000189116 [0,2,0,0,0,0|2,0,0]=4 11928 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000690907_100000758301 [0,2,0,0,0,0|2,0,0]=4 11929 B13R1.14 CCC(C)OCc1ccc(cc1)N 34a_100011215238_100011215416 [0,2,0,0,0,0|2,0,0]=4 11930 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000189115_100000758301 [0,2,0,0,0,0|2,0,0]=4 11931 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000758301_100000189115 [0,2,0,0,0,0|2,0,0]=4 11932 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000210814_100000758301 [0,2,0,0,0,0|2,0,0]=4 11933 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000758301_100000210814 [0,2,0,0,0,0|2,0,0]=4 11934 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,2,0,0,0,0|2,0,0]=4 11935 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,2,0,0,0,0|2,0,0]=4 11936 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000198546_100000758301 [0,2,0,0,0,0|2,0,0]=4 11937 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000758301_100000187164 [0,2,0,0,0,0|2,0,0]=4 11938 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000189116_100000758301 [0,2,0,0,0,0|2,0,0]=4 11939 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000758301_100000189116 [0,2,0,0,0,0|2,0,0]=4 11940 B13R1.14 CCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218378 [0,2,0,0,0,0|1,0,0]=3 11941 B13R1.14 CCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218378 [0,2,0,0,0,0|1,0,0]=3 11942 B13R1.14 CCC(O)CNc1ccc(cc1)C 34a_100000124888_100011218378 [0,2,0,0,0,0|1,0,0]=3 11943 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218378 [0,2,0,0,0,0|1,0,0]=3 11944 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218378 [0,2,0,0,0,0|1,0,0]=3 11945 B13R1.14 CCC(O)CNc1ccc(cc1)F 34a_100000185862_100011218378 [0,2,0,0,0,0|1,0,0]=3 11946 B13R1.14 CCC(O)CNc1ccc(cc1)I 34a_100000185761_100011218378 [0,2,0,0,0,0|1,0,0]=3 11947 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,2,0,0,0,0|1,0,0]=3 11948 B13R1.14 CCC(O)CNc1ccc(cn1)Br 27a_100011218483_100000686858 [0,2,0,0,0,0|2,0,0]=4 11949 B13R1.14 CCC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218378 [0,2,0,0,0,0|2,0,0]=4 11950 B13R1.14 CCC(O)COc1ccc(cc1)Br 34a_100000185759_100011218378 [0,2,0,0,0,0|1,0,0]=3 11951 B13R1.14 CCC(O)COc1ccc(cc1)Br 7a_100000185759_100011218378 [0,2,0,0,0,0|1,0,0]=3 11952 B13R1.14 CCC(O)COc1ccc(cc1)C 34a_100000210336_100011218378 [0,2,0,0,0,0|1,0,0]=3 11953 B13R1.14 CCC(O)COc1ccc(cc1)C 7a_100000210336_100011218378 [0,2,0,0,0,0|1,0,0]=3 11954 B13R1.14 CCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218378 [0,2,0,0,0,0|1,0,0]=3 11955 B13R1.14 CCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218378 [0,2,0,0,0,0|1,0,0]=3 11956 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [0,2,0,0,0,0|1,0,0]=3 11957 B13R1.14 CCC(O)COc1ccc(cc1)I 34a_100000212066_100011218378 [0,2,0,0,0,0|1,0,0]=3 11958 B13R1.14 CCC(O)COc1ccc(cc1)I 7a_100000212066_100011218378 [0,2,0,0,0,0|1,0,0]=3 11959 B13R1.14 CCC(O)COc1ccc(cc1)N 34a_100000185829_100011218378 [0,2,0,0,0,0|1,0,0]=3 11960 B13R1.14 CCC(O)COc1ccc(cn1)C 34a_100000759353_100011218378 [0,2,0,0,0,0|2,0,0]=4 11961 B13R1.14 CCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218378 [0,2,0,0,0,0|2,0,0]=4 11962 B13R1.14 CCC(O)COc1ccc(cn1)F 34a_100000742473_100011218378 [0,2,0,0,0,0|2,0,0]=4 11963 B13R1.14 CCC(O)COc1ccc(cn1)N 34a_100000729260_100011218378 [0,2,0,0,0,0|2,0,0]=4 11964 B13R1.14 CCC(O)COc1ccc(nc1)Br 34a_100000685995_100011218378 [0,2,0,0,0,0|2,0,0]=4 11965 B13R1.14 CCC(O)COc1ccc(nc1)Br 7a_100000685995_100011218378 [0,2,0,0,0,0|2,0,0]=4 11966 B13R1.14 CCC(O)COc1ccc(nc1)C 34a_100000745506_100011218378 [0,2,0,0,0,0|2,0,0]=4 11967 B13R1.14 CCC(O)COc1ccc(nc1)C 7a_100000745506_100011218378 [0,2,0,0,0,0|2,0,0]=4 11968 B13R1.14 CCC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218378 [0,2,0,0,0,0|2,0,0]=4 11969 B13R1.14 CCC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218378 [0,2,0,0,0,0|2,0,0]=4 11970 B13R1.14 CCC(O)COc1ccc(nc1)F 34a_100000688820_100011218378 [0,2,0,0,0,0|2,0,0]=4 11971 B13R1.14 CCC(O)COc1ccc(nc1)F 7a_100000688820_100011218378 [0,2,0,0,0,0|2,0,0]=4 11972 B13R1.14 CCC(O)COc1ccc(nc1)I 34a_100000687607_100011218378 [0,2,0,0,0,0|2,0,0]=4 11973 B13R1.14 CCC(O)COc1ccc(nc1)I 7a_100000687607_100011218378 [0,2,0,0,0,0|2,0,0]=4 11974 B13R1.14 CCC(O)COc1ccc(nc1)N 34a_100015188713_100011218378 [0,2,0,0,0,0|2,0,0]=4 11975 B13R1.14 CCC(O)COc1ccc(nc1)N 7a_100015188713_100011218378 [0,2,0,0,0,0|2,0,0]=4 11976 B13R1.14 CCC(O)CSc1cc[n+](cc1)[O-] 62a_100011218378_100000039755 [0,2,0,0,0,0|2,0,0]=4 11977 B13R1.14 CCC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218378 [0,2,0,0,0,0|2,0,0]=4 11978 B13R1.14 CCC(O)CSc1ccc(=O)[nH]c1 62a_100011218378_100000212171 [0,2,0,0,0,0|2,0,0]=4 11979 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218378 [0,2,0,0,0,0|1,0,0]=3 11980 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100011218378_100000752885 [0,2,0,0,0,0|1,0,0]=3 11981 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100000186775_100011218378 [0,2,0,0,0,0|1,0,0]=3 11982 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100011218378_100000186775 [0,2,0,0,0,0|1,0,0]=3 11983 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218378 [0,2,0,0,0,0|1,0,0]=3 11984 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100011218378_100000755918 [0,2,0,0,0,0|1,0,0]=3 11985 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100000211213_100011218378 [0,2,0,0,0,0|1,0,0]=3 11986 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100011218378_100000211213 [0,2,0,0,0,0|1,0,0]=3 11987 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100000185761_100011218378 [0,2,0,0,0,0|1,0,0]=3 11988 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100011218378_100000185761 [0,2,0,0,0,0|1,0,0]=3 11989 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,2,0,0,0,0|1,0,0]=3 11990 B13R1.14 CCC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218378 [0,2,0,0,0,0|2,0,0]=4 11991 B13R1.14 CCC(O)CSc1ccc(cn1)Br 62a_100011218378_100000686858 [0,2,0,0,0,0|2,0,0]=4 11992 B13R1.14 CCC(O)CSc1ccc(cn1)C 62a_100011192072_100011218378 [0,2,0,0,0,0|2,0,0]=4 11993 B13R1.14 CCC(O)CSc1ccc(cn1)C 62a_100011218378_100000754016 [0,2,0,0,0,0|2,0,0]=4 11994 B13R1.14 CCC(O)CSc1ccc(cn1)Cl 62a_100011218378_100011356976 [0,2,0,0,0,0|2,0,0]=4 11995 B13R1.14 CCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218378 [0,2,0,0,0,0|2,0,0]=4 11996 B13R1.14 CCC(O)CSc1ccc(cn1)F 62a_100000744514_100011218378 [0,2,0,0,0,0|2,0,0]=4 11997 B13R1.14 CCC(O)CSc1ccc(cn1)F 62a_100011218378_100000744514 [0,2,0,0,0,0|2,0,0]=4 11998 B13R1.14 CCC(O)CSc1ccc(cn1)N 62a_100000737798_100011218378 [0,2,0,0,0,0|2,0,0]=4 11999 B13R1.14 CCC(O)CSc1ccc(cn1)N 62a_100011218378_100000737798 [0,2,0,0,0,0|2,0,0]=4 12000 B13R1.14 CCC(O)CSc1ccc(cn1)O 62a_100000685995_100011218378 [0,2,0,0,0,0|2,0,0]=4 12001 B13R1.14 CCC(O)CSc1ccc(cn1)O 62a_100011218378_100000744096 [0,2,0,0,0,0|2,0,0]=4 12002 B13R1.14 CCC(O)CSc1ccc(nc1)Br 62a_100009814638_100011218378 [0,2,0,0,0,0|2,0,0]=4 12003 B13R1.14 CCC(O)CSc1ccc(nc1)Br 62a_100011218378_100009814638 [0,2,0,0,0,0|2,0,0]=4 12004 B13R1.14 CCC(O)CSc1ccc(nc1)C 62a_100000751577_100011218378 [0,2,0,0,0,0|2,0,0]=4 12005 B13R1.14 CCC(O)CSc1ccc(nc1)C 62a_100011218378_100000751577 [0,2,0,0,0,0|2,0,0]=4 12006 B13R1.14 CCC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011218378 [0,2,0,0,0,0|2,0,0]=4 12007 B13R1.14 CCC(O)CSc1ccc(nc1)Cl 62a_100011218378_100000034144 [0,2,0,0,0,0|2,0,0]=4 12008 B13R1.14 CCC(O)CSc1ccc(nc1)F 62a_100000042367_100011218378 [0,2,0,0,0,0|2,0,0]=4 12009 B13R1.14 CCC(O)CSc1ccc(nc1)F 62a_100011218378_100000042367 [0,2,0,0,0,0|2,0,0]=4 12010 B13R1.14 CCC(O)CSc1ccc(nc1)N 62a_100000187370_100011218378 [0,2,0,0,0,0|2,0,0]=4 12011 B13R1.14 CCC(O)CSc1ccc(nc1)N 62a_100011218378_100000187370 [0,2,0,0,0,0|2,0,0]=4 12012 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000225621_100011740612 [0,2,0,0,0,0|2,0,0]=4 12013 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210202 [0,2,0,0,0,0|2,0,0]=4 12014 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000225621_100011740612 [0,2,0,0,0,0|2,0,0]=4 12015 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000204670 [0,2,0,0,0,0|2,0,0]=4 12016 B13R1.14 CCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210202 [0,2,0,0,0,0|2,0,0]=4 12017 B13R1.14 CCN(C)CCc1ccc(cc1)C 2230a_100000225621_100011713686 [0,2,0,0,0,0|2,0,0]=4 12018 B13R1.14 CCN(C)CCc1ccc(cc1)C 269982a_100000225621_100011713686 [0,2,0,0,0,0|2,0,0]=4 12019 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000225621_100011713675 [0,2,0,0,0,0|2,0,0]=4 12020 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210202 [0,2,0,0,0,0|2,0,0]=4 12021 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000225621_100011713675 [0,2,0,0,0,0|2,0,0]=4 12022 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000204670 [0,2,0,0,0,0|2,0,0]=4 12023 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210202 [0,2,0,0,0,0|2,0,0]=4 12024 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100000225621_100011217392 [0,2,0,0,0,0|2,0,0]=4 12025 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210202 [0,2,0,0,0,0|2,0,0]=4 12026 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100000225621_100011217392 [0,2,0,0,0,0|2,0,0]=4 12027 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000204670 [0,2,0,0,0,0|2,0,0]=4 12028 B13R1.14 CCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210202 [0,2,0,0,0,0|2,0,0]=4 12029 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100000225621_100009816426 [0,2,0,0,0,0|2,0,0]=4 12030 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210202 [0,2,0,0,0,0|2,0,0]=4 12031 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100000225621_100009816426 [0,2,0,0,0,0|2,0,0]=4 12032 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000204670 [0,2,0,0,0,0|2,0,0]=4 12033 B13R1.14 CCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210202 [0,2,0,0,0,0|2,0,0]=4 12034 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 2230a_100000210018_100009816398 [0,2,0,0,0,0|2,0,0]=4 12035 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 34a_100000210018_100009816398 [0,2,0,0,0,0|2,0,0]=4 12036 B13R1.14 CC[C@H](C)CNc1ccc(cc1)C 34a_100000124888_100009816398 [0,2,0,0,0,0|2,0,0]=4 12037 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 2230a_100000210052_100009816398 [0,2,0,0,0,0|2,0,0]=4 12038 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 34a_100000210052_100009816398 [0,2,0,0,0,0|2,0,0]=4 12039 B13R1.14 CC[C@H](C)CNc1ccc(cc1)F 34a_100000185862_100009816398 [0,2,0,0,0,0|2,0,0]=4 12040 B13R1.14 CC[C@H](C)CNc1ccc(cc1)I 34a_100000185761_100009816398 [0,2,0,0,0,0|2,0,0]=4 12041 B13R1.14 CC[C@H](C)CNc1ccc(cc1)O 34a_100000185829_100009816398 [0,2,0,0,0,0|2,0,0]=4 12042 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 34a_100000185759_100009816398 [0,2,0,0,0,0|2,0,0]=4 12043 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 7a_100000185759_100009816398 [0,2,0,0,0,0|2,0,0]=4 12044 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,2,0,0,0,0|2,0,0]=4 12045 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,2,0,0,0,0|2,0,0]=4 12046 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 34a_100000210216_100009816398 [0,2,0,0,0,0|2,0,0]=4 12047 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 7a_100000210216_100009816398 [0,2,0,0,0,0|2,0,0]=4 12048 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [0,2,0,0,0,0|2,0,0]=4 12049 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 34a_100000212066_100009816398 [0,2,0,0,0,0|2,0,0]=4 12050 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 7a_100000212066_100009816398 [0,2,0,0,0,0|2,0,0]=4 12051 B13R1.14 CC[C@H](C)COc1ccc(cc1)N 34a_100000185829_100009816398 [0,2,0,0,0,0|2,0,0]=4 12052 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100000752885_100009816398 [0,2,0,0,0,0|2,0,0]=4 12053 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100009816398_100000752885 [0,2,0,0,0,0|2,0,0]=4 12054 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100000186775_100009816398 [0,2,0,0,0,0|2,0,0]=4 12055 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100009816398_100000186775 [0,2,0,0,0,0|2,0,0]=4 12056 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100000755918_100009816398 [0,2,0,0,0,0|2,0,0]=4 12057 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100009816398_100000755918 [0,2,0,0,0,0|2,0,0]=4 12058 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100000211213_100009816398 [0,2,0,0,0,0|2,0,0]=4 12059 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100009816398_100000211213 [0,2,0,0,0,0|2,0,0]=4 12060 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100000185761_100009816398 [0,2,0,0,0,0|2,0,0]=4 12061 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100009816398_100000185761 [0,2,0,0,0,0|2,0,0]=4 12062 B13R1.14 CC[C@H](C)CSc1ccc(cc1)O 62a_100009816398_100000185759 [0,2,0,0,0,0|2,0,0]=4 12063 B13R1.14 CN(CF)CCc1ccc(cc1)Br 269982a_100000752880_100015361967 [0,2,0,0,0,0|2,0,0]=4 12064 B13R1.14 CN(CF)CCc1ccc(cc1)Br 34a_100000752880_100015361967 [0,2,0,0,0,0|2,0,0]=4 12065 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 269982a_100000698262_100015361967 [0,2,0,0,0,0|2,0,0]=4 12066 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 34a_100000698262_100015361967 [0,2,0,0,0,0|2,0,0]=4 12067 B13R1.14 CN(CF)CCc1ccc(cc1)F 269982a_100102946585_100015361967 [0,2,0,0,0,0|2,0,0]=4 12068 B13R1.14 CN(CF)CCc1ccc(cc1)F 34a_100102946585_100015361967 [0,2,0,0,0,0|2,0,0]=4 12069 B13R1.14 CN(CF)CCc1ccc(cc1)O 269982a_100016989440_100015361967 [0,2,0,0,0,0|2,0,0]=4 12070 B13R1.14 CN(CF)CCc1ccc(cc1)O 34a_100016989440_100015361967 [0,2,0,0,0,0|2,0,0]=4 12071 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [0,2,0,0,0,0|0,0,2]=4 12072 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [0,2,0,0,0,0|0,0,2]=4 12073 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [0,2,0,0,0,0|0,0,2]=4 12074 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [0,2,0,0,0,0|0,0,2]=4 12075 B13R1.14 CNC(=O)CCc1ccc(cc1)C 11a_106832991635_100000234883 [0,2,0,0,0,0|0,0,2]=4 12076 B13R1.14 CNC(=O)CCc1ccc(cc1)C 1626a_100102657272_100000234883 [0,2,0,0,0,0|0,0,2]=4 12077 B13R1.14 CNC(=O)CCc1ccc(cc1)C 240690a_100102657272_100000234883 [0,2,0,0,0,0|0,0,2]=4 12078 B13R1.14 CNC(=O)CCc1ccc(cc1)C 527a_100102657272_100000234883 [0,2,0,0,0,0|0,0,2]=4 12079 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 11a_106832991635_100000235379 [0,2,0,0,0,0|0,0,2]=4 12080 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 1626a_100102657272_100000235379 [0,2,0,0,0,0|0,0,2]=4 12081 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 240690a_100102657272_100000235379 [0,2,0,0,0,0|0,0,2]=4 12082 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 527a_100102657272_100000235379 [0,2,0,0,0,0|0,0,2]=4 12083 B13R1.14 CNC(=O)CCc1ccc(cc1)F 11a_106832991635_100000198493 [0,2,0,0,0,0|0,0,2]=4 12084 B13R1.14 CNC(=O)CCc1ccc(cc1)F 1626a_100102657272_100000198493 [0,2,0,0,0,0|0,0,2]=4 12085 B13R1.14 CNC(=O)CCc1ccc(cc1)F 240690a_100102657272_100000198493 [0,2,0,0,0,0|0,0,2]=4 12086 B13R1.14 CNC(=O)CCc1ccc(cc1)F 527a_100102657272_100000198493 [0,2,0,0,0,0|0,0,2]=4 12087 B13R1.14 CNC(=O)CCc1ccc(cc1)I 11a_106832991635_100011217499 [0,2,0,0,0,0|0,0,2]=4 12088 B13R1.14 CNC(=O)CCc1ccc(cc1)I 1626a_100102657272_100011217499 [0,2,0,0,0,0|0,0,2]=4 12089 B13R1.14 CNC(=O)CCc1ccc(cc1)I 240690a_100102657272_100011217499 [0,2,0,0,0,0|0,0,2]=4 12090 B13R1.14 CNC(=O)CCc1ccc(cc1)I 527a_100102657272_100011217499 [0,2,0,0,0,0|0,0,2]=4 12091 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [0,2,0,0,0,0|0,0,2]=4 12092 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [0,2,0,0,0,0|0,0,2]=4 12093 B13R1.14 CNC(C)CCc1ccc(cc1)Cl 270004a_106832991635_100011279170 [0,2,0,0,0,0|1,0,0]=3 12094 B13R1.14 CNC(C)CCc1ccc(cc1)F 270004a_106832991635_100000743244 [0,2,0,0,0,0|1,0,0]=3 12095 B13R1.14 CNC(C)CCc1ccc(cc1)I 270004a_106832991635_100000723691 [0,2,0,0,0,0|1,0,0]=3 12096 B13R1.14 CNC(C)CCc1ccc(cc1)O 270004a_106832991635_100000198047 [0,2,0,0,0,0|1,0,0]=3 12097 B13R1.14 CNC(C)COc1ccc(cc1)C 2230a_100000743913_200000210301 [0,2,0,0,0,0|2,0,0]=4 12098 B13R1.14 CNC(C)COc1ccc(cc1)C 34a_100000743913_200000210301 [0,2,0,0,0,0|2,0,0]=4 12099 B13R1.14 CNC(C)COc1ccc(cc1)Cl 270004a_106832991635_200000150450 [0,2,0,0,0,0|2,0,0]=4 12100 B13R1.14 CNC(C)CSc1ccc(cc1)C 270004a_106832991635_100000172844 [0,2,0,0,0,0|2,0,0]=4 12101 B13R1.14 CNC(C)CSc1ccc(cc1)Cl 270004a_106832991635_100000150472 [0,2,0,0,0,0|2,0,0]=4 12102 B13R1.14 CNC(C)CSc1ccc(cc1)F 270004a_106832991635_200000148136 [0,2,0,0,0,0|2,0,0]=4 12103 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,2,0,0,0,0|0,0,2]=4 12104 B13R1.14 COC(C)COc1ccc(cc1)C 34a_100011217472_200000210301 [0,2,0,0,0,0|1,0,0]=3 12105 B13R1.14 COC(C)COc1ccc(cc1)C 7a_100011217472_200000210301 [0,2,0,0,0,0|1,0,0]=3 12106 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100000189115_100009879195 [0,2,0,0,0,0|1,0,0]=3 12107 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100009879195_100000189115 [0,2,0,0,0,0|1,0,0]=3 12108 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100000210814_100009879195 [0,2,0,0,0,0|1,0,0]=3 12109 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100009879195_100000210814 [0,2,0,0,0,0|1,0,0]=3 12110 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100000187161_100009879195 [0,2,0,0,0,0|1,0,0]=3 12111 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100009879195_100000187161 [0,2,0,0,0,0|1,0,0]=3 12112 B13R1.14 COC(C)SCc1ccc(cc1)F 62a_100000198546_100009879195 [0,2,0,0,0,0|1,0,0]=3 12113 B13R1.14 COC(C)SCc1ccc(cc1)F 62a_100009879195_100000187164 [0,2,0,0,0,0|1,0,0]=3 12114 B13R1.14 COC(C)SCc1ccc(cc1)I 62a_100000189116_100009879195 [0,2,0,0,0,0|1,0,0]=3 12115 B13R1.14 COC(C)SCc1ccc(cc1)I 62a_100009879195_100000189116 [0,2,0,0,0,0|1,0,0]=3 12116 B13R1.14 COC(C)SCc1ccc(cn1)Br 62a_100000702658_100009879195 [0,2,0,0,0,0|2,0,0]=4 12117 B13R1.14 COC(C)SCc1ccc(cn1)Br 62a_100009879195_100000702658 [0,2,0,0,0,0|2,0,0]=4 12118 B13R1.14 COC(C)SCc1ccc(cn1)C 62a_100000691093_100009879195 [0,2,0,0,0,0|2,0,0]=4 12119 B13R1.14 COC(C)SCc1ccc(cn1)C 62a_100009879195_100000691093 [0,2,0,0,0,0|2,0,0]=4 12120 B13R1.14 COC(C)SCc1ccc(cn1)Cl 62a_100009879195_100000697101 [0,2,0,0,0,0|2,0,0]=4 12121 B13R1.14 COC(C)SCc1ccc(cn1)Cl 62a_100012066911_100009879195 [0,2,0,0,0,0|2,0,0]=4 12122 B13R1.14 COC(C)SCc1ccc(cn1)F 62a_100000703193_100009879195 [0,2,0,0,0,0|2,0,0]=4 12123 B13R1.14 COC(C)SCc1ccc(cn1)F 62a_100009879195_100000703193 [0,2,0,0,0,0|2,0,0]=4 12124 B13R1.14 COC(C)SCc1ccc(nc1)Br 62a_100009831999_100009879195 [0,2,0,0,0,0|2,0,0]=4 12125 B13R1.14 COC(C)SCc1ccc(nc1)Br 62a_100009879195_100009831999 [0,2,0,0,0,0|2,0,0]=4 12126 B13R1.14 COC(C)SCc1ccc(nc1)C 62a_100009879195_100016987292 [0,2,0,0,0,0|2,0,0]=4 12127 B13R1.14 COC(C)SCc1ccc(nc1)C 62a_100016987292_100009879195 [0,2,0,0,0,0|2,0,0]=4 12128 B13R1.14 COC(C)SCc1ccc(nc1)Cl 62a_100000735431_100009879195 [0,2,0,0,0,0|2,0,0]=4 12129 B13R1.14 COC(C)SCc1ccc(nc1)Cl 62a_100009879195_100000735431 [0,2,0,0,0,0|2,0,0]=4 12130 B13R1.14 COC(C)SCc1ccc(nc1)F 62a_100009820150_100009879195 [0,2,0,0,0,0|2,0,0]=4 12131 B13R1.14 COC(C)SCc1ccc(nc1)F 62a_100009879195_100000099788 [0,2,0,0,0,0|2,0,0]=4 12132 B13R1.14 CO[C@H](C)CNc1ccc(cn1)Br 27a_100020591295_100000686858 [0,2,0,0,0,0|2,0,0]=4 12133 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 2230a_100000210018_100000059175 [0,2,0,0,0,0|1,0,0]=3 12134 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 34a_100000210018_100000059175 [0,2,0,0,0,0|1,0,0]=3 12135 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 2230a_100000210052_100000059175 [0,2,0,0,0,0|1,0,0]=3 12136 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 34a_100000210052_100000059175 [0,2,0,0,0,0|1,0,0]=3 12137 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 34a_100000185862_100000059175 [0,2,0,0,0,0|1,0,0]=3 12138 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 34a_100000185761_100000059175 [0,2,0,0,0,0|1,0,0]=3 12139 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,2,0,0,0,0|1,0,0]=3 12140 B13R1.14 C[C@@H](CO)COc1ccc(=O)[nH]c1 34a_100000075641_100000059175 [0,2,0,0,0,0|2,0,0]=4 12141 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,2,0,0,0,0|1,0,0]=3 12142 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,2,0,0,0,0|1,0,0]=3 12143 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,2,0,0,0,0|1,0,0]=3 12144 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,2,0,0,0,0|1,0,0]=3 12145 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,2,0,0,0,0|1,0,0]=3 12146 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,2,0,0,0,0|1,0,0]=3 12147 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,2,0,0,0,0|1,0,0]=3 12148 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,2,0,0,0,0|1,0,0]=3 12149 B13R1.14 C[C@@H](CO)COc1ccc(cn1)Cl 34a_100011215309_100000059175 [0,2,0,0,0,0|2,0,0]=4 12150 B13R1.14 C[C@@H](CO)COc1ccc(cn1)F 34a_100000742473_100000059175 [0,2,0,0,0,0|2,0,0]=4 12151 B13R1.14 C[C@@H](CO)COc1ccc(cn1)N 34a_100000729260_100000059175 [0,2,0,0,0,0|2,0,0]=4 12152 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Br 34a_100000685995_100000059175 [0,2,0,0,0,0|2,0,0]=4 12153 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Br 7a_100000685995_100000059175 [0,2,0,0,0,0|2,0,0]=4 12154 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Cl 34a_100000744096_100000059175 [0,2,0,0,0,0|2,0,0]=4 12155 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Cl 7a_100000744096_100000059175 [0,2,0,0,0,0|2,0,0]=4 12156 B13R1.14 C[C@@H](CO)COc1ccc(nc1)F 34a_100000688820_100000059175 [0,2,0,0,0,0|2,0,0]=4 12157 B13R1.14 C[C@@H](CO)COc1ccc(nc1)F 7a_100000688820_100000059175 [0,2,0,0,0,0|2,0,0]=4 12158 B13R1.14 C[C@@H](CO)COc1ccc(nc1)I 34a_100000687607_100000059175 [0,2,0,0,0,0|2,0,0]=4 12159 B13R1.14 C[C@@H](CO)COc1ccc(nc1)I 7a_100000687607_100000059175 [0,2,0,0,0,0|2,0,0]=4 12160 B13R1.14 C[C@@H](CO)COc1ccc(nc1)N 34a_100015188713_100000059175 [0,2,0,0,0,0|2,0,0]=4 12161 B13R1.14 C[C@@H](CO)COc1ccc(nc1)N 7a_100015188713_100000059175 [0,2,0,0,0,0|2,0,0]=4 12162 B13R1.14 C[C@@H](CO)CSc1cc[n+](cc1)[O-] 62a_100000059175_100000039755 [0,2,0,0,0,0|2,0,0]=4 12163 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]c1 62a_100000059175_100000212171 [0,2,0,0,0,0|2,0,0]=4 12164 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]c1 62a_100000212171_100000059175 [0,2,0,0,0,0|2,0,0]=4 12165 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000059175_100000752885 [0,2,0,0,0,0|1,0,0]=3 12166 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000752885_100000059175 [0,2,0,0,0,0|1,0,0]=3 12167 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000059175_100000755918 [0,2,0,0,0,0|1,0,0]=3 12168 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000755918_100000059175 [0,2,0,0,0,0|1,0,0]=3 12169 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000059175_100000211213 [0,2,0,0,0,0|1,0,0]=3 12170 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000211213_100000059175 [0,2,0,0,0,0|1,0,0]=3 12171 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000059175_100000185761 [0,2,0,0,0,0|1,0,0]=3 12172 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000185761_100000059175 [0,2,0,0,0,0|1,0,0]=3 12173 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,2,0,0,0,0|1,0,0]=3 12174 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Br 62a_100000059175_100000686858 [0,2,0,0,0,0|2,0,0]=4 12175 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Br 62a_100000686858_100000059175 [0,2,0,0,0,0|2,0,0]=4 12176 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100000059175_100011356976 [0,2,0,0,0,0|2,0,0]=4 12177 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100011356976_100000059175 [0,2,0,0,0,0|2,0,0]=4 12178 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)F 62a_100000059175_100000744514 [0,2,0,0,0,0|2,0,0]=4 12179 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)F 62a_100000744514_100000059175 [0,2,0,0,0,0|2,0,0]=4 12180 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)N 62a_100000059175_100000737798 [0,2,0,0,0,0|2,0,0]=4 12181 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)N 62a_100000737798_100000059175 [0,2,0,0,0,0|2,0,0]=4 12182 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)O 62a_100000059175_100000744096 [0,2,0,0,0,0|2,0,0]=4 12183 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)O 62a_100000685995_100000059175 [0,2,0,0,0,0|2,0,0]=4 12184 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Br 62a_100000059175_100009814638 [0,2,0,0,0,0|2,0,0]=4 12185 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Br 62a_100009814638_100000059175 [0,2,0,0,0,0|2,0,0]=4 12186 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Cl 62a_100000034144_100000059175 [0,2,0,0,0,0|2,0,0]=4 12187 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Cl 62a_100000059175_100000034144 [0,2,0,0,0,0|2,0,0]=4 12188 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)F 62a_100000042367_100000059175 [0,2,0,0,0,0|2,0,0]=4 12189 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)F 62a_100000059175_100000042367 [0,2,0,0,0,0|2,0,0]=4 12190 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)N 62a_100000059175_100000187370 [0,2,0,0,0,0|2,0,0]=4 12191 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)N 62a_100000187370_100000059175 [0,2,0,0,0,0|2,0,0]=4 12192 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 207a_100102880703_100000186029 [0,2,0,0,0,0|2,0,0]=4 12193 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 270004a_100102880703_100000186029 [0,2,0,0,0,0|2,0,0]=4 12194 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 207a_100102880703_100000189385 [0,2,0,0,0,0|2,0,0]=4 12195 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 270004a_100102880703_100000189385 [0,2,0,0,0,0|2,0,0]=4 12196 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 207a_100102880703_100000210084 [0,2,0,0,0,0|2,0,0]=4 12197 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 270004a_100102880703_100000210084 [0,2,0,0,0,0|2,0,0]=4 12198 B13R1.14 C[C@H](CF)NCc1ccc(cc1)I 207a_100102880703_100000188517 [0,2,0,0,0,0|2,0,0]=4 12199 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 207a_100000737577_100000186029 [0,2,0,0,0,0|1,0,0]=3 12200 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 2230a_100000737577_100011217064 [0,2,0,0,0,0|1,0,0]=3 12201 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 270004a_100000737577_100000186029 [0,2,0,0,0,0|1,0,0]=3 12202 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 207a_100000737577_100000189385 [0,2,0,0,0,0|1,0,0]=3 12203 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2230a_100000737577_100000694040 [0,2,0,0,0,0|1,0,0]=3 12204 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 270004a_100000737577_100000189385 [0,2,0,0,0,0|1,0,0]=3 12205 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 207a_100000737577_100000210084 [0,2,0,0,0,0|1,0,0]=3 12206 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 2230a_100000737577_100000198546 [0,2,0,0,0,0|1,0,0]=3 12207 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 270004a_100000737577_100000210084 [0,2,0,0,0,0|1,0,0]=3 12208 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 207a_100000737577_100000188517 [0,2,0,0,0,0|1,0,0]=3 12209 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 2230a_100000737577_100000189116 [0,2,0,0,0,0|1,0,0]=3 12210 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 207a_100000737577_100000754260 [0,2,0,0,0,0|2,0,0]=4 12211 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 2230a_100000737577_100000702658 [0,2,0,0,0,0|2,0,0]=4 12212 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 270004a_100000737577_100000754260 [0,2,0,0,0,0|2,0,0]=4 12213 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 207a_100000737577_100011361569 [0,2,0,0,0,0|2,0,0]=4 12214 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 2230a_100000737577_100012066911 [0,2,0,0,0,0|2,0,0]=4 12215 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 270004a_100000737577_100011361569 [0,2,0,0,0,0|2,0,0]=4 12216 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 207a_100000737577_100011934744 [0,2,0,0,0,0|2,0,0]=4 12217 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 2230a_100000737577_100000703193 [0,2,0,0,0,0|2,0,0]=4 12218 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 270004a_100000737577_100011934744 [0,2,0,0,0,0|2,0,0]=4 12219 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Br 2230a_100000737577_100009831999 [0,2,0,0,0,0|2,0,0]=4 12220 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Cl 2230a_100000737577_100000735431 [0,2,0,0,0,0|2,0,0]=4 12221 B13R1.14 C[C@H](CO)NCc1ccc(nc1)F 2230a_100000737577_100009820150 [0,2,0,0,0,0|2,0,0]=4 12222 B13R1.14 C[C@H](CO)NCc1ccc(nc1)O 207a_100000737577_100011361521 [0,2,0,0,0,0|2,0,0]=4 12223 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100000189115_100016084084 [0,2,0,0,0,0|1,0,0]=3 12224 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100016084084_100000189115 [0,2,0,0,0,0|1,0,0]=3 12225 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100000187161_100016084084 [0,2,0,0,0,0|1,0,0]=3 12226 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100016084084_100000187161 [0,2,0,0,0,0|1,0,0]=3 12227 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100000198546_100016084084 [0,2,0,0,0,0|1,0,0]=3 12228 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100016084084_100000187164 [0,2,0,0,0,0|1,0,0]=3 12229 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100000189116_100016084084 [0,2,0,0,0,0|1,0,0]=3 12230 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100016084084_100000189116 [0,2,0,0,0,0|1,0,0]=3 12231 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Br 62a_100000702658_100016084084 [0,2,0,0,0,0|2,0,0]=4 12232 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Br 62a_100016084084_100000702658 [0,2,0,0,0,0|2,0,0]=4 12233 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100012066911_100016084084 [0,2,0,0,0,0|2,0,0]=4 12234 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100016084084_100000697101 [0,2,0,0,0,0|2,0,0]=4 12235 B13R1.14 C[C@H](CO)SCc1ccc(cn1)F 62a_100000703193_100016084084 [0,2,0,0,0,0|2,0,0]=4 12236 B13R1.14 C[C@H](CO)SCc1ccc(cn1)F 62a_100016084084_100000703193 [0,2,0,0,0,0|2,0,0]=4 12237 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Br 62a_100009831999_100016084084 [0,2,0,0,0,0|2,0,0]=4 12238 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Br 62a_100016084084_100009831999 [0,2,0,0,0,0|2,0,0]=4 12239 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100000735431_100016084084 [0,2,0,0,0,0|2,0,0]=4 12240 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100016084084_100000735431 [0,2,0,0,0,0|2,0,0]=4 12241 B13R1.14 C[C@H](CO)SCc1ccc(nc1)F 62a_100009820150_100016084084 [0,2,0,0,0,0|2,0,0]=4 12242 B13R1.14 C[C@H](CO)SCc1ccc(nc1)F 62a_100016084084_100000099788 [0,2,0,0,0,0|2,0,0]=4 12243 B13R1.14 Cc1ccc(cc1)CCC(=O)CF 1458a_100000234883_100015361967 [0,2,0,0,0,0|0,0,2]=4 12244 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,2,0,0,0,0|0,0,2]=4 12245 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000174908_100000184139 [0,2,0,0,0,0|2,0,0]=4 12246 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000737613_100000210814 [0,2,0,0,0,0|2,0,0]=4 12247 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,2,0,0,0,0|1,0,0]=3 12248 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,2,0,0,0,0|1,0,0]=3 12249 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 207a_100102880703_100000211033 [0,2,0,0,0,0|2,0,0]=4 12250 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 270004a_100102880703_100000211033 [0,2,0,0,0,0|2,0,0]=4 12251 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,2,0,0,0,0|1,0,0]=3 12252 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,2,0,0,0,0|1,0,0]=3 12253 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,2,0,0,0,0|1,0,0]=3 12254 B13R1.14 Cc1ccc(cc1)COC(C)C#N 34a_100011218135_100000210814 [0,2,0,0,0,0|2,0,0]=4 12255 B13R1.14 Cc1ccc(cc1)COC(C)C#N 7a_100011215236_100000703298 [0,2,0,0,0,0|2,0,0]=4 12256 B13R1.14 Cc1ccc(cc1)COC(C)CF 34a_100016041109_100000210814 [0,2,0,0,0,0|2,0,0]=4 12257 B13R1.14 Cc1ccc(cc1)COC(C)CF 7a_100016041109_100000210814 [0,2,0,0,0,0|2,0,0]=4 12258 B13R1.14 Cc1ccc(cc1)COC(C)CN 34a_100000210904_100000210814 [0,2,0,0,0,0|2,0,0]=4 12259 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,2,0,0,0,0|1,0,0]=3 12260 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,2,0,0,0,0|1,0,0]=3 12261 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000210814_100000703298 [0,2,0,0,0,0|2,0,0]=4 12262 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000703298_100000210814 [0,2,0,0,0,0|2,0,0]=4 12263 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,2,0,0,0,0|1,0,0]=3 12264 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,2,0,0,0,0|1,0,0]=3 12265 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,2,0,0,0,0|1,0,0]=3 12266 B13R1.14 Cc1ccc(cc1)NCC(O)CO 34a_100000124888_100011219619 [0,2,0,0,0,0|1,0,0]=3 12267 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,2,0,0,0,0|1,0,0]=3 12268 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CF 34a_100000124888_100015614560 [0,2,0,0,0,0|1,0,0]=3 12269 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CO 34a_100000124888_100009815848 [0,2,0,0,0,0|1,0,0]=3 12270 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 2230a_100000743913_200025704644 [0,2,0,0,0,0|2,0,0]=4 12271 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 34a_100000743913_200025704644 [0,2,0,0,0,0|2,0,0]=4 12272 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 34a_100011217472_200025704644 [0,2,0,0,0,0|1,0,0]=3 12273 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 7a_100011217472_200025704644 [0,2,0,0,0,0|1,0,0]=3 12274 B13R1.14 Cc1ccc(cc1)OCC(O)CO 34a_100000210336_100011219619 [0,2,0,0,0,0|1,0,0]=3 12275 B13R1.14 Cc1ccc(cc1)OCC(O)CO 7a_100000210336_100011219619 [0,2,0,0,0,0|1,0,0]=3 12276 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,2,0,0,0,0|1,0,0]=3 12277 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,2,0,0,0,0|1,0,0]=3 12278 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 34a_100000210336_100015614560 [0,2,0,0,0,0|1,0,0]=3 12279 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 7a_100000210336_100015614560 [0,2,0,0,0,0|1,0,0]=3 12280 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210336_100009815848 [0,2,0,0,0,0|1,0,0]=3 12281 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210336_100009815848 [0,2,0,0,0,0|1,0,0]=3 12282 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100000186775_100011219619 [0,2,0,0,0,0|1,0,0]=3 12283 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000186775 [0,2,0,0,0,0|1,0,0]=3 12284 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,2,0,0,0,0|1,0,0]=3 12285 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,2,0,0,0,0|1,0,0]=3 12286 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100000186775_100015614560 [0,2,0,0,0,0|1,0,0]=3 12287 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000186775 [0,2,0,0,0,0|1,0,0]=3 12288 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000186775_100009815848 [0,2,0,0,0,0|1,0,0]=3 12289 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000186775 [0,2,0,0,0,0|1,0,0]=3 12290 B13R1.14 Cc1ccc(cn1)CNC(C)CO 34a_100000740942_100012180447 [0,2,0,0,0,0|2,0,0]=4 12291 B13R1.14 Cc1ccc(cn1)CN[C@H](C)CO 2230a_100000737577_100016987292 [0,2,0,0,0,0|2,0,0]=4 12292 B13R1.14 Cc1ccc(cn1)CN[C@H](C)CO 270004a_100000737577_100000743784 [0,2,0,0,0,0|2,0,0]=4 12293 B13R1.14 Cc1ccc(cn1)COC(C)CO 34a_100011248133_100012180447 [0,2,0,0,0,0|2,0,0]=4 12294 B13R1.14 Cc1ccc(cn1)CSC(C)CO 62a_100012180447_100016987292 [0,2,0,0,0,0|2,0,0]=4 12295 B13R1.14 Cc1ccc(cn1)CS[C@H](C)CO 62a_100016084084_100016987292 [0,2,0,0,0,0|2,0,0]=4 12296 B13R1.14 Cc1ccc(cn1)CS[C@H](C)CO 62a_100016987292_100016084084 [0,2,0,0,0,0|2,0,0]=4 12297 B13R1.14 Cc1ccc(cn1)OCC(O)CO 34a_100000745506_100011219619 [0,2,0,0,0,0|2,0,0]=4 12298 B13R1.14 Cc1ccc(cn1)OCC(O)CO 7a_100000745506_100011219619 [0,2,0,0,0,0|2,0,0]=4 12299 B13R1.14 Cc1ccc(cn1)OC[C@@H](C)CO 34a_100000745506_100000059175 [0,2,0,0,0,0|2,0,0]=4 12300 B13R1.14 Cc1ccc(cn1)OC[C@@H](C)CO 7a_100000745506_100000059175 [0,2,0,0,0,0|2,0,0]=4 12301 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CF 34a_100000745506_100015614560 [0,2,0,0,0,0|2,0,0]=4 12302 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CF 7a_100000745506_100015614560 [0,2,0,0,0,0|2,0,0]=4 12303 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CO 34a_100000745506_100009815848 [0,2,0,0,0,0|2,0,0]=4 12304 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CO 7a_100000745506_100009815848 [0,2,0,0,0,0|2,0,0]=4 12305 B13R1.14 Cc1ccc(cn1)SCC(O)CO 62a_100000751577_100011219619 [0,2,0,0,0,0|2,0,0]=4 12306 B13R1.14 Cc1ccc(cn1)SCC(O)CO 62a_100011219619_100000751577 [0,2,0,0,0,0|2,0,0]=4 12307 B13R1.14 Cc1ccc(cn1)SC[C@@H](C)CO 62a_100000059175_100000751577 [0,2,0,0,0,0|2,0,0]=4 12308 B13R1.14 Cc1ccc(cn1)SC[C@@H](C)CO 62a_100000751577_100000059175 [0,2,0,0,0,0|2,0,0]=4 12309 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CF 62a_100000751577_100015614560 [0,2,0,0,0,0|2,0,0]=4 12310 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CF 62a_100015614560_100000751577 [0,2,0,0,0,0|2,0,0]=4 12311 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CO 62a_100000751577_100009815848 [0,2,0,0,0,0|2,0,0]=4 12312 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000751577 [0,2,0,0,0,0|2,0,0]=4 12313 B13R1.14 Cc1ccc(nc1)CNC(C)CO 34a_100015187455_100012180447 [0,2,0,0,0,0|2,0,0]=4 12314 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 207a_100000737577_100000050478 [0,2,0,0,0,0|2,0,0]=4 12315 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 2230a_100000737577_100000691093 [0,2,0,0,0,0|2,0,0]=4 12316 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 270004a_100000737577_100000050478 [0,2,0,0,0,0|2,0,0]=4 12317 B13R1.14 Cc1ccc(nc1)COC(C)CO 34a_100012001401_100012180447 [0,2,0,0,0,0|2,0,0]=4 12318 B13R1.14 Cc1ccc(nc1)CSC(C)CO 62a_100012180447_100000691093 [0,2,0,0,0,0|2,0,0]=4 12319 B13R1.14 Cc1ccc(nc1)CS[C@H](C)CO 62a_100000691093_100016084084 [0,2,0,0,0,0|2,0,0]=4 12320 B13R1.14 Cc1ccc(nc1)CS[C@H](C)CO 62a_100016084084_100000691093 [0,2,0,0,0,0|2,0,0]=4 12321 B13R1.14 Cc1ccc(nc1)OCC(O)CO 34a_100000759353_100011219619 [0,2,0,0,0,0|2,0,0]=4 12322 B13R1.14 Cc1ccc(nc1)OC[C@@H](C)CO 34a_100000759353_100000059175 [0,2,0,0,0,0|2,0,0]=4 12323 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CF 34a_100000759353_100015614560 [0,2,0,0,0,0|2,0,0]=4 12324 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CO 34a_100000759353_100009815848 [0,2,0,0,0,0|2,0,0]=4 12325 B13R1.14 Cc1ccc(nc1)SCC(O)CO 62a_100011192072_100011219619 [0,2,0,0,0,0|2,0,0]=4 12326 B13R1.14 Cc1ccc(nc1)SCC(O)CO 62a_100011219619_100000754016 [0,2,0,0,0,0|2,0,0]=4 12327 B13R1.14 Cc1ccc(nc1)SC[C@@H](C)CO 62a_100000059175_100000754016 [0,2,0,0,0,0|2,0,0]=4 12328 B13R1.14 Cc1ccc(nc1)SC[C@@H](C)CO 62a_100011192072_100000059175 [0,2,0,0,0,0|2,0,0]=4 12329 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CF 62a_100011192072_100015614560 [0,2,0,0,0,0|2,0,0]=4 12330 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000754016 [0,2,0,0,0,0|2,0,0]=4 12331 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000754016 [0,2,0,0,0,0|2,0,0]=4 12332 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CO 62a_100011192072_100009815848 [0,2,0,0,0,0|2,0,0]=4 12333 B13R1.14 Nc1ccc(cc1)OCC(O)CO 34a_100000185829_100011219619 [0,2,0,0,0,0|1,0,0]=3 12334 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CF 34a_100000185829_100015614560 [0,2,0,0,0,0|1,0,0]=3 12335 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CO 34a_100000185829_100009815848 [0,2,0,0,0,0|1,0,0]=3 12336 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100000185761_100011219619 [0,2,0,0,0,0|1,0,0]=3 12337 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100011219619_100000185761 [0,2,0,0,0,0|1,0,0]=3 12338 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100000185761_100015614560 [0,2,0,0,0,0|1,0,0]=3 12339 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185761 [0,2,0,0,0,0|1,0,0]=3 12340 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100000185761_100009815848 [0,2,0,0,0,0|1,0,0]=3 12341 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185761 [0,2,0,0,0,0|1,0,0]=3 12342 B13R1.14 Nc1ccc(cn1)OCC(O)CO 34a_100015188713_100011219619 [0,2,0,0,0,0|2,0,0]=4 12343 B13R1.14 Nc1ccc(cn1)OCC(O)CO 7a_100015188713_100011219619 [0,2,0,0,0,0|2,0,0]=4 12344 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CF 34a_100015188713_100015614560 [0,2,0,0,0,0|2,0,0]=4 12345 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CF 7a_100015188713_100015614560 [0,2,0,0,0,0|2,0,0]=4 12346 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CO 34a_100015188713_100009815848 [0,2,0,0,0,0|2,0,0]=4 12347 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CO 7a_100015188713_100009815848 [0,2,0,0,0,0|2,0,0]=4 12348 B13R1.14 Nc1ccc(cn1)SCC(O)CO 62a_100000187370_100011219619 [0,2,0,0,0,0|2,0,0]=4 12349 B13R1.14 Nc1ccc(cn1)SCC(O)CO 62a_100011219619_100000187370 [0,2,0,0,0,0|2,0,0]=4 12350 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CF 62a_100000187370_100015614560 [0,2,0,0,0,0|2,0,0]=4 12351 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CF 62a_100015614560_100000187370 [0,2,0,0,0,0|2,0,0]=4 12352 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CO 62a_100000187370_100009815848 [0,2,0,0,0,0|2,0,0]=4 12353 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000187370 [0,2,0,0,0,0|2,0,0]=4 12354 B13R1.14 Nc1ccc(nc1)OCC(O)CO 34a_100000729260_100011219619 [0,2,0,0,0,0|2,0,0]=4 12355 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CF 34a_100000729260_100015614560 [0,2,0,0,0,0|2,0,0]=4 12356 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CO 34a_100000729260_100009815848 [0,2,0,0,0,0|2,0,0]=4 12357 B13R1.14 Nc1ccc(nc1)SCC(O)CO 62a_100000737798_100011219619 [0,2,0,0,0,0|2,0,0]=4 12358 B13R1.14 Nc1ccc(nc1)SCC(O)CO 62a_100011219619_100000737798 [0,2,0,0,0,0|2,0,0]=4 12359 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CF 62a_100000737798_100015614560 [0,2,0,0,0,0|2,0,0]=4 12360 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000737798 [0,2,0,0,0,0|2,0,0]=4 12361 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CO 62a_100000737798_100009815848 [0,2,0,0,0,0|2,0,0]=4 12362 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000737798 [0,2,0,0,0,0|2,0,0]=4 12363 B13R1.14 O=C(CF)CCc1ccc(cc1)Br 1458a_100000217147_100015361967 [0,2,0,0,0,0|0,0,2]=4 12364 B13R1.14 O=C(CF)CCc1ccc(cc1)Cl 1458a_100000235379_100015361967 [0,2,0,0,0,0|0,0,2]=4 12365 B13R1.14 O=C(CF)CCc1ccc(cc1)F 1458a_100000198493_100015361967 [0,2,0,0,0,0|0,0,2]=4 12366 B13R1.14 O=C(CF)CCc1ccc(cc1)I 1458a_100011217499_100015361967 [0,2,0,0,0,0|0,0,2]=4 12367 B13R1.14 O=C(CF)CCc1ccc(cc1)O 1458a_100000742835_100015361967 [0,2,0,0,0,0|0,0,2]=4 12368 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,2,0,0,0,0|0,0,2]=4 12369 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,2,0,0,0,0|0,0,2]=4 12370 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,2,0,0,0,0|0,0,2]=4 12371 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,2,0,0,0,0|0,0,2]=4 12372 B13R1.14 O=c1ccc(c[nH]1)OCC(O)CO 34a_100000075641_100011219619 [0,2,0,0,0,0|2,0,0]=4 12373 B13R1.14 O=c1ccc(c[nH]1)OC[C@@H](O)CF 34a_100000075641_100015614560 [0,2,0,0,0,0|2,0,0]=4 12374 B13R1.14 O=c1ccc(c[nH]1)OC[C@@H](O)CO 34a_100000075641_100009815848 [0,2,0,0,0,0|2,0,0]=4 12375 B13R1.14 O=c1ccc(c[nH]1)SCC(O)CO 62a_100000212171_100011219619 [0,2,0,0,0,0|2,0,0]=4 12376 B13R1.14 O=c1ccc(c[nH]1)SCC(O)CO 62a_100011219619_100000212171 [0,2,0,0,0,0|2,0,0]=4 12377 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CF 62a_100000212171_100015614560 [0,2,0,0,0,0|2,0,0]=4 12378 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CF 62a_100015614560_100000212171 [0,2,0,0,0,0|2,0,0]=4 12379 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CO 62a_100000212171_100009815848 [0,2,0,0,0,0|2,0,0]=4 12380 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CO 62a_100009815848_100000212171 [0,2,0,0,0,0|2,0,0]=4 12381 B13R1.14 OCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011219619 [0,2,0,0,0,0|1,0,0]=3 12382 B13R1.14 OCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011219619 [0,2,0,0,0,0|1,0,0]=3 12383 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011219619 [0,2,0,0,0,0|1,0,0]=3 12384 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011219619 [0,2,0,0,0,0|1,0,0]=3 12385 B13R1.14 OCC(O)CNc1ccc(cc1)F 34a_100000185862_100011219619 [0,2,0,0,0,0|1,0,0]=3 12386 B13R1.14 OCC(O)CNc1ccc(cc1)I 34a_100000185761_100011219619 [0,2,0,0,0,0|1,0,0]=3 12387 B13R1.14 OCC(O)CNc1ccc(cc1)O 34a_100000185829_100011219619 [0,2,0,0,0,0|1,0,0]=3 12388 B13R1.14 OCC(O)COc1ccc(cc1)Br 34a_100000185759_100011219619 [0,2,0,0,0,0|1,0,0]=3 12389 B13R1.14 OCC(O)COc1ccc(cc1)Br 7a_100000185759_100011219619 [0,2,0,0,0,0|1,0,0]=3 12390 B13R1.14 OCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011219619 [0,2,0,0,0,0|1,0,0]=3 12391 B13R1.14 OCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011219619 [0,2,0,0,0,0|1,0,0]=3 12392 B13R1.14 OCC(O)COc1ccc(cc1)F 34a_100000210339_100011219619 [0,2,0,0,0,0|1,0,0]=3 12393 B13R1.14 OCC(O)COc1ccc(cc1)I 34a_100000212066_100011219619 [0,2,0,0,0,0|1,0,0]=3 12394 B13R1.14 OCC(O)COc1ccc(cc1)I 7a_100000212066_100011219619 [0,2,0,0,0,0|1,0,0]=3 12395 B13R1.14 OCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011219619 [0,2,0,0,0,0|2,0,0]=4 12396 B13R1.14 OCC(O)COc1ccc(cn1)F 34a_100000742473_100011219619 [0,2,0,0,0,0|2,0,0]=4 12397 B13R1.14 OCC(O)COc1ccc(nc1)Br 34a_100000685995_100011219619 [0,2,0,0,0,0|2,0,0]=4 12398 B13R1.14 OCC(O)COc1ccc(nc1)Br 7a_100000685995_100011219619 [0,2,0,0,0,0|2,0,0]=4 12399 B13R1.14 OCC(O)COc1ccc(nc1)Cl 34a_100000744096_100011219619 [0,2,0,0,0,0|2,0,0]=4 12400 B13R1.14 OCC(O)COc1ccc(nc1)Cl 7a_100000744096_100011219619 [0,2,0,0,0,0|2,0,0]=4 12401 B13R1.14 OCC(O)COc1ccc(nc1)F 34a_100000688820_100011219619 [0,2,0,0,0,0|2,0,0]=4 12402 B13R1.14 OCC(O)COc1ccc(nc1)F 7a_100000688820_100011219619 [0,2,0,0,0,0|2,0,0]=4 12403 B13R1.14 OCC(O)COc1ccc(nc1)I 34a_100000687607_100011219619 [0,2,0,0,0,0|2,0,0]=4 12404 B13R1.14 OCC(O)COc1ccc(nc1)I 7a_100000687607_100011219619 [0,2,0,0,0,0|2,0,0]=4 12405 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011219619 [0,2,0,0,0,0|1,0,0]=3 12406 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100011219619_100000752885 [0,2,0,0,0,0|1,0,0]=3 12407 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011219619 [0,2,0,0,0,0|1,0,0]=3 12408 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100011219619_100000755918 [0,2,0,0,0,0|1,0,0]=3 12409 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100000211213_100011219619 [0,2,0,0,0,0|1,0,0]=3 12410 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100011219619_100000211213 [0,2,0,0,0,0|1,0,0]=3 12411 B13R1.14 OCC(O)CSc1ccc(cc1)O 62a_100011219619_100000185759 [0,2,0,0,0,0|1,0,0]=3 12412 B13R1.14 OCC(O)CSc1ccc(cn1)Br 62a_100000686858_100011219619 [0,2,0,0,0,0|2,0,0]=4 12413 B13R1.14 OCC(O)CSc1ccc(cn1)Br 62a_100011219619_100000686858 [0,2,0,0,0,0|2,0,0]=4 12414 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011219619_100011356976 [0,2,0,0,0,0|2,0,0]=4 12415 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011219619 [0,2,0,0,0,0|2,0,0]=4 12416 B13R1.14 OCC(O)CSc1ccc(cn1)F 62a_100000744514_100011219619 [0,2,0,0,0,0|2,0,0]=4 12417 B13R1.14 OCC(O)CSc1ccc(cn1)F 62a_100011219619_100000744514 [0,2,0,0,0,0|2,0,0]=4 12418 B13R1.14 OCC(O)CSc1ccc(cn1)O 62a_100000685995_100011219619 [0,2,0,0,0,0|2,0,0]=4 12419 B13R1.14 OCC(O)CSc1ccc(cn1)O 62a_100011219619_100000744096 [0,2,0,0,0,0|2,0,0]=4 12420 B13R1.14 OCC(O)CSc1ccc(nc1)Br 62a_100009814638_100011219619 [0,2,0,0,0,0|2,0,0]=4 12421 B13R1.14 OCC(O)CSc1ccc(nc1)Br 62a_100011219619_100009814638 [0,2,0,0,0,0|2,0,0]=4 12422 B13R1.14 OCC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011219619 [0,2,0,0,0,0|2,0,0]=4 12423 B13R1.14 OCC(O)CSc1ccc(nc1)Cl 62a_100011219619_100000034144 [0,2,0,0,0,0|2,0,0]=4 12424 B13R1.14 OCC(O)CSc1ccc(nc1)F 62a_100000042367_100011219619 [0,2,0,0,0,0|2,0,0]=4 12425 B13R1.14 OCC(O)CSc1ccc(nc1)F 62a_100011219619_100000042367 [0,2,0,0,0,0|2,0,0]=4 12426 B13R1.14 OC[C@@H](O)CNc1ccc(cn1)Br 27a_100020644852_100000686858 [0,2,0,0,0,0|2,0,0]=4 12427 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009815848 [0,2,0,0,0,0|1,0,0]=3 12428 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009815848 [0,2,0,0,0,0|1,0,0]=3 12429 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009815848 [0,2,0,0,0,0|1,0,0]=3 12430 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009815848 [0,2,0,0,0,0|1,0,0]=3 12431 B13R1.14 OC[C@H](O)CNc1ccc(cc1)F 34a_100000185862_100009815848 [0,2,0,0,0,0|1,0,0]=3 12432 B13R1.14 OC[C@H](O)CNc1ccc(cc1)I 34a_100000185761_100009815848 [0,2,0,0,0,0|1,0,0]=3 12433 B13R1.14 OC[C@H](O)CNc1ccc(cc1)O 34a_100000185829_100009815848 [0,2,0,0,0,0|1,0,0]=3 12434 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 34a_100000185759_100009815848 [0,2,0,0,0,0|1,0,0]=3 12435 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 7a_100000185759_100009815848 [0,2,0,0,0,0|1,0,0]=3 12436 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009815848 [0,2,0,0,0,0|1,0,0]=3 12437 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009815848 [0,2,0,0,0,0|1,0,0]=3 12438 B13R1.14 OC[C@H](O)COc1ccc(cc1)F 34a_100000210339_100009815848 [0,2,0,0,0,0|1,0,0]=3 12439 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 34a_100000212066_100009815848 [0,2,0,0,0,0|1,0,0]=3 12440 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 7a_100000212066_100009815848 [0,2,0,0,0,0|1,0,0]=3 12441 B13R1.14 OC[C@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009815848 [0,2,0,0,0,0|2,0,0]=4 12442 B13R1.14 OC[C@H](O)COc1ccc(cn1)F 34a_100000742473_100009815848 [0,2,0,0,0,0|2,0,0]=4 12443 B13R1.14 OC[C@H](O)COc1ccc(nc1)Br 34a_100000685995_100009815848 [0,2,0,0,0,0|2,0,0]=4 12444 B13R1.14 OC[C@H](O)COc1ccc(nc1)Br 7a_100000685995_100009815848 [0,2,0,0,0,0|2,0,0]=4 12445 B13R1.14 OC[C@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009815848 [0,2,0,0,0,0|2,0,0]=4 12446 B13R1.14 OC[C@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009815848 [0,2,0,0,0,0|2,0,0]=4 12447 B13R1.14 OC[C@H](O)COc1ccc(nc1)F 34a_100000688820_100009815848 [0,2,0,0,0,0|2,0,0]=4 12448 B13R1.14 OC[C@H](O)COc1ccc(nc1)F 7a_100000688820_100009815848 [0,2,0,0,0,0|2,0,0]=4 12449 B13R1.14 OC[C@H](O)COc1ccc(nc1)I 34a_100000687607_100009815848 [0,2,0,0,0,0|2,0,0]=4 12450 B13R1.14 OC[C@H](O)COc1ccc(nc1)I 7a_100000687607_100009815848 [0,2,0,0,0,0|2,0,0]=4 12451 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009815848 [0,2,0,0,0,0|1,0,0]=3 12452 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100009815848_100000752885 [0,2,0,0,0,0|1,0,0]=3 12453 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009815848 [0,2,0,0,0,0|1,0,0]=3 12454 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100009815848_100000755918 [0,2,0,0,0,0|1,0,0]=3 12455 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100000211213_100009815848 [0,2,0,0,0,0|1,0,0]=3 12456 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100009815848_100000211213 [0,2,0,0,0,0|1,0,0]=3 12457 B13R1.14 OC[C@H](O)CSc1ccc(cc1)O 62a_100009815848_100000185759 [0,2,0,0,0,0|1,0,0]=3 12458 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009815848 [0,2,0,0,0,0|2,0,0]=4 12459 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Br 62a_100009815848_100000686858 [0,2,0,0,0,0|2,0,0]=4 12460 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100009815848_100011356976 [0,2,0,0,0,0|2,0,0]=4 12461 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009815848 [0,2,0,0,0,0|2,0,0]=4 12462 B13R1.14 OC[C@H](O)CSc1ccc(cn1)F 62a_100000744514_100009815848 [0,2,0,0,0,0|2,0,0]=4 12463 B13R1.14 OC[C@H](O)CSc1ccc(cn1)F 62a_100009815848_100000744514 [0,2,0,0,0,0|2,0,0]=4 12464 B13R1.14 OC[C@H](O)CSc1ccc(cn1)O 62a_100000685995_100009815848 [0,2,0,0,0,0|2,0,0]=4 12465 B13R1.14 OC[C@H](O)CSc1ccc(cn1)O 62a_100009815848_100000744096 [0,2,0,0,0,0|2,0,0]=4 12466 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Br 62a_100009814638_100009815848 [0,2,0,0,0,0|2,0,0]=4 12467 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Br 62a_100009815848_100009814638 [0,2,0,0,0,0|2,0,0]=4 12468 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009815848 [0,2,0,0,0,0|2,0,0]=4 12469 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Cl 62a_100009815848_100000034144 [0,2,0,0,0,0|2,0,0]=4 12470 B13R1.14 OC[C@H](O)CSc1ccc(nc1)F 62a_100000042367_100009815848 [0,2,0,0,0,0|2,0,0]=4 12471 B13R1.14 OC[C@H](O)CSc1ccc(nc1)F 62a_100009815848_100000042367 [0,2,0,0,0,0|2,0,0]=4 12472 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 2230a_100000210018_100015614560 [0,2,0,0,0,0|1,0,0]=3 12473 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 34a_100000210018_100015614560 [0,2,0,0,0,0|1,0,0]=3 12474 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 2230a_100000210052_100015614560 [0,2,0,0,0,0|1,0,0]=3 12475 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 34a_100000210052_100015614560 [0,2,0,0,0,0|1,0,0]=3 12476 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)F 34a_100000185862_100015614560 [0,2,0,0,0,0|1,0,0]=3 12477 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)I 34a_100000185761_100015614560 [0,2,0,0,0,0|1,0,0]=3 12478 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 34a_100000185759_100015614560 [0,2,0,0,0,0|1,0,0]=3 12479 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 7a_100000185759_100015614560 [0,2,0,0,0,0|1,0,0]=3 12480 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 34a_100000210216_100015614560 [0,2,0,0,0,0|1,0,0]=3 12481 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 7a_100000210216_100015614560 [0,2,0,0,0,0|1,0,0]=3 12482 B13R1.14 O[C@@H](CF)COc1ccc(cc1)F 34a_100000210339_100015614560 [0,2,0,0,0,0|1,0,0]=3 12483 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 34a_100000212066_100015614560 [0,2,0,0,0,0|1,0,0]=3 12484 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 7a_100000212066_100015614560 [0,2,0,0,0,0|1,0,0]=3 12485 B13R1.14 O[C@@H](CF)COc1ccc(cn1)Cl 34a_100011215309_100015614560 [0,2,0,0,0,0|2,0,0]=4 12486 B13R1.14 O[C@@H](CF)COc1ccc(cn1)F 34a_100000742473_100015614560 [0,2,0,0,0,0|2,0,0]=4 12487 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Br 34a_100000685995_100015614560 [0,2,0,0,0,0|2,0,0]=4 12488 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Br 7a_100000685995_100015614560 [0,2,0,0,0,0|2,0,0]=4 12489 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Cl 34a_100000744096_100015614560 [0,2,0,0,0,0|2,0,0]=4 12490 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Cl 7a_100000744096_100015614560 [0,2,0,0,0,0|2,0,0]=4 12491 B13R1.14 O[C@@H](CF)COc1ccc(nc1)F 34a_100000688820_100015614560 [0,2,0,0,0,0|2,0,0]=4 12492 B13R1.14 O[C@@H](CF)COc1ccc(nc1)F 7a_100000688820_100015614560 [0,2,0,0,0,0|2,0,0]=4 12493 B13R1.14 O[C@@H](CF)COc1ccc(nc1)I 34a_100000687607_100015614560 [0,2,0,0,0,0|2,0,0]=4 12494 B13R1.14 O[C@@H](CF)COc1ccc(nc1)I 7a_100000687607_100015614560 [0,2,0,0,0,0|2,0,0]=4 12495 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100000752885_100015614560 [0,2,0,0,0,0|1,0,0]=3 12496 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100015614560_100000752885 [0,2,0,0,0,0|1,0,0]=3 12497 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100000755918_100015614560 [0,2,0,0,0,0|1,0,0]=3 12498 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100015614560_100000755918 [0,2,0,0,0,0|1,0,0]=3 12499 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100000211213_100015614560 [0,2,0,0,0,0|1,0,0]=3 12500 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100015614560_100000211213 [0,2,0,0,0,0|1,0,0]=3 12501 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Br 62a_100000686858_100015614560 [0,2,0,0,0,0|2,0,0]=4 12502 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Br 62a_100015614560_100000686858 [0,2,0,0,0,0|2,0,0]=4 12503 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Cl 62a_100011356976_100015614560 [0,2,0,0,0,0|2,0,0]=4 12504 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Cl 62a_100015614560_100011356976 [0,2,0,0,0,0|2,0,0]=4 12505 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)F 62a_100000744514_100015614560 [0,2,0,0,0,0|2,0,0]=4 12506 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)F 62a_100015614560_100000744514 [0,2,0,0,0,0|2,0,0]=4 12507 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Br 62a_100009814638_100015614560 [0,2,0,0,0,0|2,0,0]=4 12508 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Br 62a_100015614560_100009814638 [0,2,0,0,0,0|2,0,0]=4 12509 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Cl 62a_100000034144_100015614560 [0,2,0,0,0,0|2,0,0]=4 12510 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Cl 62a_100015614560_100000034144 [0,2,0,0,0,0|2,0,0]=4 12511 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)F 62a_100000042367_100015614560 [0,2,0,0,0,0|2,0,0]=4 12512 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)F 62a_100015614560_100000042367 [0,2,0,0,0,0|2,0,0]=4 12513 B13R1.14 Oc1ccc(cc1)NC[C@@H](O)CF 34a_100000185829_100015614560 [0,2,0,0,0,0|1,0,0]=3 12514 B13R1.14 Oc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185759 [0,2,0,0,0,0|1,0,0]=3 12515 B13R1.14 Oc1ccc(nc1)SC[C@@H](O)CF 62a_100000685995_100015614560 [0,2,0,0,0,0|2,0,0]=4 12516 B13R1.14 Oc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000744096 [0,2,0,0,0,0|2,0,0]=4 12517 B13R1.14 [O-][n+]1ccc(cc1)SCC(O)CO 62a_100011219619_100000039755 [0,2,0,0,0,0|2,0,0]=4 12518 B13R1.14 [O-][n+]1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000039755 [0,2,0,0,0,0|2,0,0]=4 12519 B13R1.14 [O-][n+]1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000039755 [0,2,0,0,0,0|2,0,0]=4 12520 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,2,0,0,0,0|0,0,2]=4 12521 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,2,0,0,0,0|0,0,2]=4 12522 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,2,0,0,0,0|0,0,2]=4 12523 B13R1.132 CC(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210624 [0,2,0,0,0,0|1,0,1]=4 12524 B13R1.132 CC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210624 [0,2,0,0,0,0|1,0,1]=4 12525 B13R1.132 CC(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000210624 [0,2,0,0,0,0|1,0,1]=4 12526 B13R1.132 CC(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000210624 [0,2,0,0,0,0|1,0,1]=4 12527 B13R1.132 CC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000210624 [0,2,0,0,0,0|1,0,1]=4 12528 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000210760 [0,2,0,0,0,0|2,0,0]=4 12529 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 2230a_200011231703_200000210301 [0,2,0,0,0,0|2,0,0]=4 12530 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000210624 [0,2,0,0,0,0|2,0,0]=4 12531 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 269982a_200011231703_200000210301 [0,2,0,0,0,0|2,0,0]=4 12532 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 34a_100000219623_100000210624 [0,2,0,0,0,0|2,0,0]=4 12533 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 34a_200011231703_200000210301 [0,2,0,0,0,0|2,0,0]=4 12534 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210760 [0,2,0,0,0,0|2,0,0]=4 12535 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210624 [0,2,0,0,0,0|2,0,0]=4 12536 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000210624 [0,2,0,0,0,0|2,0,0]=4 12537 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 2230a_100000219829_100000210760 [0,2,0,0,0,0|2,0,0]=4 12538 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 2230a_100000713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 12539 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 269982a_100000219829_100000210624 [0,2,0,0,0,0|2,0,0]=4 12540 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 269982a_100000713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 12541 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 34a_100000219829_100000210624 [0,2,0,0,0,0|2,0,0]=4 12542 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 34a_100000713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 12543 B13R1.132 CC(C)CN(C)c1ccc(cc1)I 2230a_100000743151_100000210760 [0,2,0,0,0,0|2,0,0]=4 12544 B13R1.132 CC(C)CN(C)c1ccc(cc1)I 269982a_100000743151_100000210624 [0,2,0,0,0,0|2,0,0]=4 12545 B13R1.132 CC(C)CN(C)c1ccc(cc1)I 34a_100000743151_100000210624 [0,2,0,0,0,0|2,0,0]=4 12546 B13R1.132 CC(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000210624 [0,2,0,0,0,0|2,0,0]=4 12547 B13R1.132 CC(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000210624 [0,2,0,0,0,0|2,0,0]=4 12548 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)Br 2230a_200011231703_200025704644 [0,2,0,0,0,0|2,0,0]=4 12549 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)Br 269982a_200011231703_200025704644 [0,2,0,0,0,0|2,0,0]=4 12550 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)Br 34a_200011231703_200025704644 [0,2,0,0,0,0|2,0,0]=4 12551 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)F 2230a_100000713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 12552 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)F 269982a_100000713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 12553 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)F 34a_100000713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 12554 B13R1.132 CC(C)C[C@H](N)c1cc[n+](cc1)[O-] 271570a_100015190218_100000039755 [0,2,0,0,0,0|2,0,0]=4 12555 B13R1.132 CC(C)C[C@H](N)c1ccc(=O)[nH]c1 271570a_100015190218_100000212171 [0,2,0,0,0,0|2,0,0]=4 12556 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Br 271570a_100015190218_100000752885 [0,2,0,0,0,0|1,0,0]=3 12557 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [0,2,0,0,0,0|1,0,0]=3 12558 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)F 271570a_100015190218_100000211213 [0,2,0,0,0,0|1,0,0]=3 12559 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)N 271570a_100015190218_100000185761 [0,2,0,0,0,0|1,0,0]=3 12560 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [0,2,0,0,0,0|1,0,0]=3 12561 B13R1.132 CC(C)C[C@H](N)c1ccc(cn1)Br 271570a_100015190218_100000686858 [0,2,0,0,0,0|2,0,0]=4 12562 B13R1.132 CC(C)C[C@H](N)c1ccc(cn1)Cl 271570a_100015190218_100011356976 [0,2,0,0,0,0|2,0,0]=4 12563 B13R1.132 CC(C)C[C@H](N)c1ccc(cn1)F 271570a_100015190218_100000744514 [0,2,0,0,0,0|2,0,0]=4 12564 B13R1.132 CC(C)C[C@H](N)c1ccc(cn1)N 271570a_100015190218_100000744251 [0,2,0,0,0,0|2,0,0]=4 12565 B13R1.132 CC(C)C[C@H](N)c1ccc(cn1)O 271570a_100015190218_100000685995 [0,2,0,0,0,0|2,0,0]=4 12566 B13R1.132 CC(C)C[C@H](N)c1ccc(nc1)Br 271570a_100015190218_100009814638 [0,2,0,0,0,0|2,0,0]=4 12567 B13R1.132 CC(C)C[C@H](N)c1ccc(nc1)Cl 271570a_100015190218_100000034144 [0,2,0,0,0,0|2,0,0]=4 12568 B13R1.132 CC(C)C[C@H](N)c1ccc(nc1)F 271570a_100015190218_100000748661 [0,2,0,0,0,0|2,0,0]=4 12569 B13R1.132 CC(C)C[C@H](N)c1ccc(nc1)N 271570a_100015190218_100000187370 [0,2,0,0,0,0|2,0,0]=4 12570 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 2230a_100138425928_100000755118 [0,2,0,0,0,0|2,0,0]=4 12571 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 34a_100138425928_100000755118 [0,2,0,0,0,0|2,0,0]=4 12572 B13R1.132 CC(C)NC(C)c1ccc(cc1)Cl 2230a_100138425928_100000684792 [0,2,0,0,0,0|2,0,0]=4 12573 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 2230a_100138425928_100000743420 [0,2,0,0,0,0|2,0,0]=4 12574 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 34a_100138425928_100000743420 [0,2,0,0,0,0|2,0,0]=4 12575 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210206 [0,2,0,0,0,0|2,0,0]=4 12576 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210206 [0,2,0,0,0,0|2,0,0]=4 12577 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210206 [0,2,0,0,0,0|2,0,0]=4 12578 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210206 [0,2,0,0,0,0|2,0,0]=4 12579 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210206 [0,2,0,0,0,0|2,0,0]=4 12580 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210206 [0,2,0,0,0,0|2,0,0]=4 12581 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210206 [0,2,0,0,0,0|2,0,0]=4 12582 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000212225_100000755118 [0,2,0,0,0,0|2,0,0]=4 12583 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100000210206 [0,2,0,0,0,0|2,0,0]=4 12584 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000210206 [0,2,0,0,0,0|2,0,0]=4 12585 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100000210206 [0,2,0,0,0,0|2,0,0]=4 12586 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000212225_100000743420 [0,2,0,0,0,0|2,0,0]=4 12587 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000210206 [0,2,0,0,0,0|2,0,0]=4 12588 B13R1.132 CC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100000210206 [0,2,0,0,0,0|2,0,0]=4 12589 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210206 [0,2,0,0,0,0|2,0,0]=4 12590 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210206 [0,2,0,0,0,0|2,0,0]=4 12591 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000210206_100000755118 [0,2,0,0,0,0|2,0,0]=4 12592 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000755118_100000210206 [0,2,0,0,0,0|2,0,0]=4 12593 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000210206_100000684792 [0,2,0,0,0,0|2,0,0]=4 12594 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000684792_100000210206 [0,2,0,0,0,0|2,0,0]=4 12595 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000210206_100000743420 [0,2,0,0,0,0|2,0,0]=4 12596 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000743420_100000210206 [0,2,0,0,0,0|2,0,0]=4 12597 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218427 [0,2,0,0,0,0|0,0,1]=3 12598 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218427 [0,2,0,0,0,0|0,0,1]=3 12599 B13R1.132 CC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218427 [0,2,0,0,0,0|0,0,1]=3 12600 B13R1.132 CC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218427 [0,2,0,0,0,0|0,0,1]=3 12601 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [0,2,0,0,0,0|0,0,1]=3 12602 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100011218427 [0,2,0,0,0,0|1,0,0]=3 12603 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100011218427 [0,2,0,0,0,0|1,0,0]=3 12604 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 34a_100000219623_100011218427 [0,2,0,0,0,0|1,0,0]=3 12605 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218427 [0,2,0,0,0,0|1,0,0]=3 12606 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218427 [0,2,0,0,0,0|1,0,0]=3 12607 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100011218427 [0,2,0,0,0,0|1,0,0]=3 12608 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 2230a_100000219829_100011218427 [0,2,0,0,0,0|1,0,0]=3 12609 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 269982a_100000219829_100011218427 [0,2,0,0,0,0|1,0,0]=3 12610 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 34a_100000219829_100011218427 [0,2,0,0,0,0|1,0,0]=3 12611 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 2230a_100000743151_100011218427 [0,2,0,0,0,0|1,0,0]=3 12612 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 269982a_100000743151_100011218427 [0,2,0,0,0,0|1,0,0]=3 12613 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 34a_100000743151_100011218427 [0,2,0,0,0,0|1,0,0]=3 12614 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 269982a_100000182112_100011218427 [0,2,0,0,0,0|1,0,0]=3 12615 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100011218427 [0,2,0,0,0,0|1,0,0]=3 12616 B13R1.132 CC(O)CN(C)c1ccc(cn1)Br 27a_100000227577_100000686858 [0,2,0,0,0,0|2,0,0]=4 12617 B13R1.132 CN(C)CC(O)c1ccc(cc1)Cl 2230a_100102631434_200011996143 [0,2,0,0,0,0|2,0,0]=4 12618 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [0,2,0,0,0,0|2,0,0]=4 12619 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [0,2,0,0,0,0|2,0,0]=4 12620 B13R1.132 CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100102631434_100000720402 [0,2,0,0,0,0|2,0,0]=4 12621 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [0,2,0,0,0,0|2,0,0]=4 12622 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [0,2,0,0,0,0|2,0,0]=4 12623 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100009817552 [0,2,0,0,0,0|1,0,0]=3 12624 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100009817552 [0,2,0,0,0,0|1,0,0]=3 12625 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 34a_100000219623_100009817552 [0,2,0,0,0,0|1,0,0]=3 12626 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100009817552 [0,2,0,0,0,0|1,0,0]=3 12627 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100009817552 [0,2,0,0,0,0|1,0,0]=3 12628 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100009817552 [0,2,0,0,0,0|1,0,0]=3 12629 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 2230a_100000219829_100009817552 [0,2,0,0,0,0|1,0,0]=3 12630 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 269982a_100000219829_100009817552 [0,2,0,0,0,0|1,0,0]=3 12631 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 34a_100000219829_100009817552 [0,2,0,0,0,0|1,0,0]=3 12632 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 2230a_100000743151_100009817552 [0,2,0,0,0,0|1,0,0]=3 12633 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 269982a_100000743151_100009817552 [0,2,0,0,0,0|1,0,0]=3 12634 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 34a_100000743151_100009817552 [0,2,0,0,0,0|1,0,0]=3 12635 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 269982a_100000182112_100009817552 [0,2,0,0,0,0|1,0,0]=3 12636 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 34a_100000182112_100009817552 [0,2,0,0,0,0|1,0,0]=3 12637 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)C 1458a_100000188618_100000210624 [0,2,0,0,0,0|1,0,1]=4 12638 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)O 1458a_100000188618_100011218427 [0,2,0,0,0,0|0,0,1]=3 12639 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,2,0,0,0,0|0,0,2]=4 12640 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 2230a_100138425928_100011261388 [0,2,0,0,0,0|2,0,0]=4 12641 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 34a_100138425928_100011261388 [0,2,0,0,0,0|2,0,0]=4 12642 B13R1.132 Cc1ccc(cc1)C(C)OC(C)C 34a_100000212225_100011261388 [0,2,0,0,0,0|2,0,0]=4 12643 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100000210206_100011261388 [0,2,0,0,0,0|2,0,0]=4 12644 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100011261388_100000210206 [0,2,0,0,0,0|2,0,0]=4 12645 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 2230a_100000219977_100000210760 [0,2,0,0,0,0|2,0,0]=4 12646 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 2230a_100015205861_200000210301 [0,2,0,0,0,0|2,0,0]=4 12647 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 269982a_100000219977_100000210624 [0,2,0,0,0,0|2,0,0]=4 12648 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 269982a_100015205861_200000210301 [0,2,0,0,0,0|2,0,0]=4 12649 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 34a_100000219977_100000210624 [0,2,0,0,0,0|2,0,0]=4 12650 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 34a_100015205861_200000210301 [0,2,0,0,0,0|2,0,0]=4 12651 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 2230a_100000219977_100011218427 [0,2,0,0,0,0|1,0,0]=3 12652 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 269982a_100000219977_100011218427 [0,2,0,0,0,0|1,0,0]=3 12653 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 34a_100000219977_100011218427 [0,2,0,0,0,0|1,0,0]=3 12654 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 2230a_100000219977_100009817552 [0,2,0,0,0,0|1,0,0]=3 12655 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 269982a_100000219977_100009817552 [0,2,0,0,0,0|1,0,0]=3 12656 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 34a_100000219977_100009817552 [0,2,0,0,0,0|1,0,0]=3 12657 B13R1.132 Cc1ccc(cc1)N([13CH3])CC(C)C 2230a_100015205861_200025704644 [0,2,0,0,0,0|2,0,0]=4 12658 B13R1.132 Cc1ccc(cc1)N([13CH3])CC(C)C 269982a_100015205861_200025704644 [0,2,0,0,0,0|2,0,0]=4 12659 B13R1.132 Cc1ccc(cc1)N([13CH3])CC(C)C 34a_100015205861_200025704644 [0,2,0,0,0,0|2,0,0]=4 12660 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 2230a_100016988085_100000210206 [0,2,0,0,0,0|2,0,0]=4 12661 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 34a_100016988085_100000210206 [0,2,0,0,0,0|2,0,0]=4 12662 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 34a_100000690690_100000210206 [0,2,0,0,0,0|2,0,0]=4 12663 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 7a_100000690690_100000210206 [0,2,0,0,0,0|2,0,0]=4 12664 B13R1.132 Cc1ccc(cc1)[C@@H](N)CC(C)C 271570a_100015190218_100000186775 [0,2,0,0,0,0|1,0,0]=3 12665 B13R1.132 Cc1ccc(cn1)[C@@H](N)CC(C)C 271570a_100015190218_100000751577 [0,2,0,0,0,0|2,0,0]=4 12666 B13R1.132 Cc1ccc(nc1)[C@@H](N)CC(C)C 271570a_100015190218_100000754016 [0,2,0,0,0,0|2,0,0]=4 12667 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 34a_217856618577_100000210206 [0,2,0,0,0,0|2,0,0]=4 12668 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 7a_217856618577_100000210206 [0,2,0,0,0,0|2,0,0]=4 12669 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,2,0,0,0,0|0,0,2]=4 12670 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,2,0,0,0,0|0,0,2]=4 12671 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,2,0,0,0,0|0,0,2]=4 12672 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,2,0,0,0,0|0,0,2]=4 12673 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,2,0,0,0,0|0,0,2]=4 12674 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,2,0,0,0,0|0,0,2]=4 12675 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210206 [0,2,0,0,0,0|1,0,1]=4 12676 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Br 1458a_100000210198_100000189115 [0,2,0,0,0,0|1,0,1]=4 12677 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000210198_100000694040 [0,2,0,0,0,0|1,0,1]=4 12678 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210206 [0,2,0,0,0,0|1,0,1]=4 12679 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)F 1458a_100000210198_100000198546 [0,2,0,0,0,0|1,0,1]=4 12680 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210206 [0,2,0,0,0,0|1,0,1]=4 12681 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)I 1458a_100000210198_100000189116 [0,2,0,0,0,0|1,0,1]=4 12682 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210206 [0,2,0,0,0,0|1,0,1]=4 12683 B13R1.133 CC(C)C(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210206 [0,2,0,0,0,0|1,0,1]=4 12684 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210206 [0,2,0,0,0,0|2,0,0]=4 12685 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 2230a_100000195760_200000210301 [0,2,0,0,0,0|2,0,0]=4 12686 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210206 [0,2,0,0,0,0|2,0,0]=4 12687 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 269982a_100000195760_200000210301 [0,2,0,0,0,0|2,0,0]=4 12688 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 269982a_200000211004_100011217064 [0,2,0,0,0,0|2,0,0]=4 12689 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 270004a_200000211004_100000186029 [0,2,0,0,0,0|2,0,0]=4 12690 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 34a_100000195760_200000210301 [0,2,0,0,0,0|2,0,0]=4 12691 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210206 [0,2,0,0,0,0|2,0,0]=4 12692 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 2230a_100015187872_200000210301 [0,2,0,0,0,0|2,0,0]=4 12693 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210206 [0,2,0,0,0,0|2,0,0]=4 12694 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 269982a_100015187872_200000210301 [0,2,0,0,0,0|2,0,0]=4 12695 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 269982a_200000211004_100000187161 [0,2,0,0,0,0|2,0,0]=4 12696 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 270004a_200000211004_100000189385 [0,2,0,0,0,0|2,0,0]=4 12697 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210206 [0,2,0,0,0,0|2,0,0]=4 12698 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 34a_100015187872_200000210301 [0,2,0,0,0,0|2,0,0]=4 12699 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 2230a_100000184576_100000210206 [0,2,0,0,0,0|2,0,0]=4 12700 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 2230a_100000195765_200000210301 [0,2,0,0,0,0|2,0,0]=4 12701 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 269982a_100000184576_100000210206 [0,2,0,0,0,0|2,0,0]=4 12702 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 269982a_100000195765_200000210301 [0,2,0,0,0,0|2,0,0]=4 12703 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 269982a_200000211004_100000198546 [0,2,0,0,0,0|2,0,0]=4 12704 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 270004a_200000211004_100000210084 [0,2,0,0,0,0|2,0,0]=4 12705 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 34a_100000184576_100000210206 [0,2,0,0,0,0|2,0,0]=4 12706 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 34a_100000195765_200000210301 [0,2,0,0,0,0|2,0,0]=4 12707 B13R1.133 CC(C)N(C)Cc1ccc(cc1)I 269982a_200000211004_100000189116 [0,2,0,0,0,0|2,0,0]=4 12708 B13R1.133 CC(C)N(C)Cc1ccc(cc1)O 2230a_100000207500_100000210206 [0,2,0,0,0,0|2,0,0]=4 12709 B13R1.133 CC(C)N(C)Cc1ccc(cc1)O 269982a_100000207500_100000210206 [0,2,0,0,0,0|2,0,0]=4 12710 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Br 2230a_100000195760_200025704644 [0,2,0,0,0,0|2,0,0]=4 12711 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Br 269982a_100000195760_200025704644 [0,2,0,0,0,0|2,0,0]=4 12712 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Br 34a_100000195760_200025704644 [0,2,0,0,0,0|2,0,0]=4 12713 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Cl 2230a_100015187872_200025704644 [0,2,0,0,0,0|2,0,0]=4 12714 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Cl 269982a_100015187872_200025704644 [0,2,0,0,0,0|2,0,0]=4 12715 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Cl 34a_100015187872_200025704644 [0,2,0,0,0,0|2,0,0]=4 12716 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)F 2230a_100000195765_200025704644 [0,2,0,0,0,0|2,0,0]=4 12717 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)F 269982a_100000195765_200025704644 [0,2,0,0,0,0|2,0,0]=4 12718 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)F 34a_100000195765_200025704644 [0,2,0,0,0,0|2,0,0]=4 12719 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,2,0,0,0,0|0,0,2]=4 12720 B13R1.133 CC(Cc1ccc(cc1)Br)N(C)C 270004a_100102631434_100000691760 [0,2,0,0,0,0|2,0,0]=4 12721 B13R1.133 CC(Cc1ccc(cc1)Cl)N(C)C 270004a_100102631434_100000747806 [0,2,0,0,0,0|2,0,0]=4 12722 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,2,0,0,0,0|0,0,2]=4 12723 B13R1.133 CC(Cc1ccc(cc1)F)N(C)C 270004a_100102631434_100000745281 [0,2,0,0,0,0|2,0,0]=4 12724 B13R1.133 CC(Cc1ccc(cc1)O)N(C)C 270004a_100102631434_100011218180 [0,2,0,0,0,0|2,0,0]=4 12725 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)Br 1458a_100000062450_100000189115 [0,2,0,0,0,0|1,0,1]=4 12726 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)Cl 1458a_100000062450_100000694040 [0,2,0,0,0,0|1,0,1]=4 12727 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)F 1458a_100000062450_100000198546 [0,2,0,0,0,0|1,0,1]=4 12728 B13R1.133 CC(F)C(=O)Cc1ccc(cc1)I 1458a_100000062450_100000189116 [0,2,0,0,0,0|1,0,1]=4 12729 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Br 1458a_100000717761_100000189115 [0,2,0,0,0,0|0,0,1]=3 12730 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_100000717761_100000694040 [0,2,0,0,0,0|0,0,1]=3 12731 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)F 1458a_100000717761_100000198546 [0,2,0,0,0,0|0,0,1]=3 12732 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)I 1458a_100000717761_100000189116 [0,2,0,0,0,0|0,0,1]=3 12733 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)Br 1458a_100000717761_100000702658 [0,2,0,0,0,0|1,0,1]=4 12734 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)Cl 1458a_100000717761_100012066911 [0,2,0,0,0,0|1,0,1]=4 12735 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cn1)F 1458a_100000717761_100000703193 [0,2,0,0,0,0|1,0,1]=4 12736 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)Br 1458a_100000717761_100009831999 [0,2,0,0,0,0|1,0,1]=4 12737 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)Cl 1458a_100000717761_100000735431 [0,2,0,0,0,0|1,0,1]=4 12738 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(nc1)F 1458a_100000717761_100009820150 [0,2,0,0,0,0|1,0,1]=4 12739 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000717761 [0,2,0,0,0,0|1,0,1]=4 12740 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000717761 [0,2,0,0,0,0|1,0,1]=4 12741 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000717761 [0,2,0,0,0,0|1,0,1]=4 12742 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000717761 [0,2,0,0,0,0|1,0,1]=4 12743 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000717761 [0,2,0,0,0,0|1,0,1]=4 12744 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Br 1458a_217856618621_100000189115 [0,2,0,0,0,0|0,0,1]=3 12745 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_217856618621_100000694040 [0,2,0,0,0,0|0,0,1]=3 12746 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)F 1458a_217856618621_100000198546 [0,2,0,0,0,0|0,0,1]=3 12747 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)I 1458a_217856618621_100000189116 [0,2,0,0,0,0|0,0,1]=3 12748 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)Br 1458a_217856618621_100000702658 [0,2,0,0,0,0|1,0,1]=4 12749 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)Cl 1458a_217856618621_100012066911 [0,2,0,0,0,0|1,0,1]=4 12750 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cn1)F 1458a_217856618621_100000703193 [0,2,0,0,0,0|1,0,1]=4 12751 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)Br 1458a_217856618621_100009831999 [0,2,0,0,0,0|1,0,1]=4 12752 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)Cl 1458a_217856618621_100000735431 [0,2,0,0,0,0|1,0,1]=4 12753 B13R1.133 C[C@H](O)C(=O)Cc1ccc(nc1)F 1458a_217856618621_100009820150 [0,2,0,0,0,0|1,0,1]=4 12754 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_217856618621 [0,2,0,0,0,0|1,0,1]=4 12755 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_217856618621 [0,2,0,0,0,0|1,0,1]=4 12756 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_217856618621 [0,2,0,0,0,0|1,0,1]=4 12757 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_217856618621 [0,2,0,0,0,0|1,0,1]=4 12758 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_217856618621 [0,2,0,0,0,0|1,0,1]=4 12759 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_217856618621 [0,2,0,0,0,0|1,0,1]=4 12760 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_217856618621 [0,2,0,0,0,0|1,0,1]=4 12761 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_217856618621 [0,2,0,0,0,0|1,0,1]=4 12762 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_217856618621 [0,2,0,0,0,0|1,0,1]=4 12763 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)C 1458a_100000210198_100000210814 [0,2,0,0,0,0|1,0,1]=4 12764 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)C 1458a_100000212244_100000210206 [0,2,0,0,0,0|1,0,1]=4 12765 B13R1.133 Cc1ccc(cc1)CC(=O)C(C)F 1458a_100000062450_100000210814 [0,2,0,0,0,0|1,0,1]=4 12766 B13R1.133 Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000210814 [0,2,0,0,0,0|1,0,1]=4 12767 B13R1.133 Cc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000210814 [0,2,0,0,0,0|0,0,1]=3 12768 B13R1.133 Cc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000210814 [0,2,0,0,0,0|0,0,1]=3 12769 B13R1.133 Cc1ccc(cc1)CC(C)N(C)C 270004a_100102631434_100000751045 [0,2,0,0,0,0|2,0,0]=4 12770 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 2230a_100000195779_200000210301 [0,2,0,0,0,0|2,0,0]=4 12771 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 2230a_100000744650_100000210206 [0,2,0,0,0,0|2,0,0]=4 12772 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 269982a_100000195779_200000210301 [0,2,0,0,0,0|2,0,0]=4 12773 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 269982a_100000744650_100000210206 [0,2,0,0,0,0|2,0,0]=4 12774 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 269982a_200000211004_100000210814 [0,2,0,0,0,0|2,0,0]=4 12775 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 270004a_200000211004_100000211033 [0,2,0,0,0,0|2,0,0]=4 12776 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 34a_100000195779_200000210301 [0,2,0,0,0,0|2,0,0]=4 12777 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 34a_100000744650_100000210206 [0,2,0,0,0,0|2,0,0]=4 12778 B13R1.133 Cc1ccc(cc1)CN([13CH3])C(C)C 2230a_100000195779_200025704644 [0,2,0,0,0,0|2,0,0]=4 12779 B13R1.133 Cc1ccc(cc1)CN([13CH3])C(C)C 269982a_100000195779_200025704644 [0,2,0,0,0,0|2,0,0]=4 12780 B13R1.133 Cc1ccc(cc1)CN([13CH3])C(C)C 34a_100000195779_200025704644 [0,2,0,0,0,0|2,0,0]=4 12781 B13R1.133 Cc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000124888_100000717761 [0,2,0,0,0,0|1,0,1]=4 12782 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 1626a_100000124888_217856618621 [0,2,0,0,0,0|1,0,1]=4 12783 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000124888_217856618621 [0,2,0,0,0,0|1,0,1]=4 12784 B13R1.133 Cc1ccc(cn1)CC(=O)[C@@H](C)O 1458a_100000717761_100016987292 [0,2,0,0,0,0|1,0,1]=4 12785 B13R1.133 Cc1ccc(cn1)CC(=O)[C@H](C)O 1458a_217856618621_100016987292 [0,2,0,0,0,0|1,0,1]=4 12786 B13R1.133 Cc1ccc(nc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000691093 [0,2,0,0,0,0|1,0,1]=4 12787 B13R1.133 Cc1ccc(nc1)CC(=O)[C@H](C)O 1458a_217856618621_100000691093 [0,2,0,0,0,0|1,0,1]=4 12788 B13R1.133 O=C(Cc1ccc(cc1)Br)C(O)O 1458a_100000233687_100000189115 [0,2,0,0,0,0|1,0,1]=4 12789 B13R1.133 O=C(Cc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100000694040 [0,2,0,0,0,0|1,0,1]=4 12790 B13R1.133 O=C(Cc1ccc(cc1)F)C(O)O 1458a_100000233687_100000198546 [0,2,0,0,0,0|1,0,1]=4 12791 B13R1.133 O=C(Cc1ccc(cc1)I)C(O)O 1458a_100000233687_100000189116 [0,2,0,0,0,0|1,0,1]=4 12792 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,2,0,0,0,0|0,0,2]=4 12793 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,2,0,0,0,0|0,0,2]=4 12794 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,2,0,0,0,0|0,0,2]=4 12795 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,2,0,0,0,0|0,0,2]=4 12796 B13R1.164 CC(=O)CCc1ccc(cc1Br)Cl 1458a_100000070787_200012945151 [0,2,0,0,0,0|0,0,2]=4 12797 B13R1.164 CC(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200000210301 [0,2,0,0,0,0|0,0,2]=4 12798 B13R1.164 CC(=O)CCc1ccc(cc1C)C 1458a_100000239910_200000210301 [0,2,0,0,0,0|0,0,2]=4 12799 B13R1.164 CC(=O)CCc1ccc(cc1C)F 1458a_100011615716_200000210301 [0,2,0,0,0,0|0,0,2]=4 12800 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200000210301 [0,2,0,0,0,0|0,0,2]=4 12801 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000070787_200012161198 [0,2,0,0,0,0|0,0,2]=4 12802 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200000210301 [0,2,0,0,0,0|0,0,2]=4 12803 B13R1.164 CC(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200000210301 [0,2,0,0,0,0|0,0,2]=4 12804 B13R1.164 CC(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200000210301 [0,2,0,0,0,0|0,0,2]=4 12805 B13R1.164 CC(=O)CCc1ccc(cc1F)C 1458a_100000061718_200000210301 [0,2,0,0,0,0|0,0,2]=4 12806 B13R1.164 CC(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200000210301 [0,2,0,0,0,0|0,0,2]=4 12807 B13R1.164 CC(=O)CCc1ccc(cc1F)F 1458a_100000691965_200000210301 [0,2,0,0,0,0|0,0,2]=4 12808 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,2,0,0,0,0|0,0,2]=4 12809 B13R1.164 CC(C)CNc1ccc(cc1Br)Br 34a_100000211012_100000210624 [0,2,0,0,0,0|2,0,0]=4 12810 B13R1.164 CC(C)CNc1ccc(cc1Br)Cl 34a_100000752454_100000210624 [0,2,0,0,0,0|2,0,0]=4 12811 B13R1.164 CC(C)CNc1ccc(cc1Br)F 34a_100000738039_100000210624 [0,2,0,0,0,0|2,0,0]=4 12812 B13R1.164 CC(C)CNc1ccc(cc1Br)O 34a_100012001276_100000210624 [0,2,0,0,0,0|2,0,0]=4 12813 B13R1.164 CC(C)CNc1ccc(cc1Cl)Br 34a_100000211467_100000210624 [0,2,0,0,0,0|2,0,0]=4 12814 B13R1.164 CC(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000210624 [0,2,0,0,0,0|2,0,0]=4 12815 B13R1.164 CC(C)CNc1ccc(cc1Cl)F 34a_100000212003_100000210624 [0,2,0,0,0,0|2,0,0]=4 12816 B13R1.164 CC(C)CNc1ccc(cc1Cl)I 34a_100011218065_100000210624 [0,2,0,0,0,0|2,0,0]=4 12817 B13R1.164 CC(C)CNc1ccc(cc1Cl)O 34a_100011215599_100000210624 [0,2,0,0,0,0|2,0,0]=4 12818 B13R1.164 CC(C)CNc1ccc(cc1F)Br 34a_100000210722_100000210624 [0,2,0,0,0,0|2,0,0]=4 12819 B13R1.164 CC(C)CNc1ccc(cc1F)Cl 34a_100000211020_100000210624 [0,2,0,0,0,0|2,0,0]=4 12820 B13R1.164 CC(C)CNc1ccc(cc1F)F 34a_100000210720_100000210624 [0,2,0,0,0,0|2,0,0]=4 12821 B13R1.164 CC(C)CNc1ccc(cc1F)I 34a_100011215594_100000210624 [0,2,0,0,0,0|2,0,0]=4 12822 B13R1.164 CC(C)CNc1ccc(cc1F)O 34a_100000759473_100000210624 [0,2,0,0,0,0|2,0,0]=4 12823 B13R1.164 CC(C)CNc1ccc(cc1I)Br 34a_100000187925_100000210624 [0,2,0,0,0,0|2,0,0]=4 12824 B13R1.164 CC(C)CNc1ccc(cc1I)Cl 34a_100000761889_100000210624 [0,2,0,0,0,0|2,0,0]=4 12825 B13R1.164 CC(C)CNc1ccc(cc1I)F 34a_100000760547_100000210624 [0,2,0,0,0,0|2,0,0]=4 12826 B13R1.164 CC(C)CNc1ccc(cc1I)O 34a_100010084370_100000210624 [0,2,0,0,0,0|2,0,0]=4 12827 B13R1.164 CC(C)CNc1ccc(cc1O)Br 34a_100000739049_100000210624 [0,2,0,0,0,0|2,0,0]=4 12828 B13R1.164 CC(C)CNc1ccc(cc1O)Cl 34a_100000185728_100000210624 [0,2,0,0,0,0|2,0,0]=4 12829 B13R1.164 CC(C)CNc1ccc(cc1O)F 34a_100000753323_100000210624 [0,2,0,0,0,0|2,0,0]=4 12830 B13R1.164 CC(C)CNc1ccc(cc1O)O 34a_100000106777_100000210624 [0,2,0,0,0,0|2,0,0]=4 12831 B13R1.164 CC(C)COc1ccc(cc1Br)Br 34a_100000188717_100000210624 [0,2,0,0,0,0|2,0,0]=4 12832 B13R1.164 CC(C)COc1ccc(cc1Br)Br 7a_100000188717_100000210760 [0,2,0,0,0,0|2,0,0]=4 12833 B13R1.164 CC(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000210624 [0,2,0,0,0,0|2,0,0]=4 12834 B13R1.164 CC(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000210760 [0,2,0,0,0,0|2,0,0]=4 12835 B13R1.164 CC(C)COc1ccc(cc1Br)F 34a_100000211999_100000210624 [0,2,0,0,0,0|2,0,0]=4 12836 B13R1.164 CC(C)COc1ccc(cc1Br)F 7a_100000211999_100000210760 [0,2,0,0,0,0|2,0,0]=4 12837 B13R1.164 CC(C)COc1ccc(cc1Br)I 34a_100012361655_100000210624 [0,2,0,0,0,0|2,0,0]=4 12838 B13R1.164 CC(C)COc1ccc(cc1Br)I 7a_100012361655_100000210760 [0,2,0,0,0,0|2,0,0]=4 12839 B13R1.164 CC(C)COc1ccc(cc1Br)N 34a_100011534360_100000210624 [0,2,0,0,0,0|2,0,0]=4 12840 B13R1.164 CC(C)COc1ccc(cc1Br)N 7a_100011534360_100000210760 [0,2,0,0,0,0|2,0,0]=4 12841 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000210624 [0,2,0,0,0,0|2,0,0]=4 12842 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000210760 [0,2,0,0,0,0|2,0,0]=4 12843 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000210624 [0,2,0,0,0,0|2,0,0]=4 12844 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000210760 [0,2,0,0,0,0|2,0,0]=4 12845 B13R1.164 CC(C)COc1ccc(cc1Cl)F 34a_100000212004_100000210624 [0,2,0,0,0,0|2,0,0]=4 12846 B13R1.164 CC(C)COc1ccc(cc1Cl)F 7a_100000212004_100000210760 [0,2,0,0,0,0|2,0,0]=4 12847 B13R1.164 CC(C)COc1ccc(cc1Cl)I 34a_100012360047_100000210624 [0,2,0,0,0,0|2,0,0]=4 12848 B13R1.164 CC(C)COc1ccc(cc1Cl)I 7a_100012360047_100000210760 [0,2,0,0,0,0|2,0,0]=4 12849 B13R1.164 CC(C)COc1ccc(cc1Cl)N 34a_100000744943_100000210624 [0,2,0,0,0,0|2,0,0]=4 12850 B13R1.164 CC(C)COc1ccc(cc1Cl)N 7a_100000744943_100000210760 [0,2,0,0,0,0|2,0,0]=4 12851 B13R1.164 CC(C)COc1ccc(cc1F)Br 34a_100000185481_100000210624 [0,2,0,0,0,0|2,0,0]=4 12852 B13R1.164 CC(C)COc1ccc(cc1F)Br 7a_100000185481_100000210760 [0,2,0,0,0,0|2,0,0]=4 12853 B13R1.164 CC(C)COc1ccc(cc1F)Cl 34a_100000230166_100000210624 [0,2,0,0,0,0|2,0,0]=4 12854 B13R1.164 CC(C)COc1ccc(cc1F)Cl 7a_100000230166_100000210760 [0,2,0,0,0,0|2,0,0]=4 12855 B13R1.164 CC(C)COc1ccc(cc1F)F 34a_100000230127_100000210624 [0,2,0,0,0,0|2,0,0]=4 12856 B13R1.164 CC(C)COc1ccc(cc1F)F 7a_100000230127_100000210760 [0,2,0,0,0,0|2,0,0]=4 12857 B13R1.164 CC(C)COc1ccc(cc1F)I 34a_100011356965_100000210624 [0,2,0,0,0,0|2,0,0]=4 12858 B13R1.164 CC(C)COc1ccc(cc1F)I 7a_100011356965_100000210760 [0,2,0,0,0,0|2,0,0]=4 12859 B13R1.164 CC(C)COc1ccc(cc1F)N 34a_100011220035_100000210624 [0,2,0,0,0,0|2,0,0]=4 12860 B13R1.164 CC(C)COc1ccc(cc1F)N 7a_100011220035_100000210760 [0,2,0,0,0,0|2,0,0]=4 12861 B13R1.164 CC(C)COc1ccc(cc1I)Br 34a_100012355227_100000210624 [0,2,0,0,0,0|2,0,0]=4 12862 B13R1.164 CC(C)COc1ccc(cc1I)Br 7a_100012355227_100000210760 [0,2,0,0,0,0|2,0,0]=4 12863 B13R1.164 CC(C)COc1ccc(cc1I)Cl 34a_100011356953_100000210624 [0,2,0,0,0,0|2,0,0]=4 12864 B13R1.164 CC(C)COc1ccc(cc1I)Cl 7a_100011356953_100000210760 [0,2,0,0,0,0|2,0,0]=4 12865 B13R1.164 CC(C)COc1ccc(cc1I)F 34a_100012355409_100000210624 [0,2,0,0,0,0|2,0,0]=4 12866 B13R1.164 CC(C)COc1ccc(cc1I)F 7a_100012355409_100000210760 [0,2,0,0,0,0|2,0,0]=4 12867 B13R1.164 CC(C)COc1ccc(cc1I)I 7a_100010001573_100000210760 [0,2,0,0,0,0|2,0,0]=4 12868 B13R1.164 CC(C)COc1ccc(cc1N)Br 34a_100000752626_100000210624 [0,2,0,0,0,0|2,0,0]=4 12869 B13R1.164 CC(C)COc1ccc(cc1N)Br 7a_100000752626_100000210760 [0,2,0,0,0,0|2,0,0]=4 12870 B13R1.164 CC(C)COc1ccc(cc1N)Cl 34a_100000210500_100000210624 [0,2,0,0,0,0|2,0,0]=4 12871 B13R1.164 CC(C)COc1ccc(cc1N)Cl 7a_100000210500_100000210760 [0,2,0,0,0,0|2,0,0]=4 12872 B13R1.164 CC(C)COc1ccc(cc1N)F 34a_100000759472_100000210624 [0,2,0,0,0,0|2,0,0]=4 12873 B13R1.164 CC(C)COc1ccc(cc1N)F 7a_100000759472_100000210760 [0,2,0,0,0,0|2,0,0]=4 12874 B13R1.164 CC(C)COc1ccc(cc1N)I 34a_100000753495_100000210624 [0,2,0,0,0,0|2,0,0]=4 12875 B13R1.164 CC(C)COc1ccc(cc1N)I 7a_100000753495_100000210760 [0,2,0,0,0,0|2,0,0]=4 12876 B13R1.164 CC(C)COc1ccc(cc1N)N 34a_100000725306_100000210624 [0,2,0,0,0,0|2,0,0]=4 12877 B13R1.164 CC(C)CSc1ccc(cc1Br)Br 62a_100000210624_100011484698 [0,2,0,0,0,0|2,0,0]=4 12878 B13R1.164 CC(C)CSc1ccc(cc1Br)Br 62a_100011484698_100000210760 [0,2,0,0,0,0|2,0,0]=4 12879 B13R1.164 CC(C)CSc1ccc(cc1Br)Cl 62a_100000210624_100011219703 [0,2,0,0,0,0|2,0,0]=4 12880 B13R1.164 CC(C)CSc1ccc(cc1Br)Cl 62a_100011219703_100000210760 [0,2,0,0,0,0|2,0,0]=4 12881 B13R1.164 CC(C)CSc1ccc(cc1Br)F 62a_100000210624_100011217111 [0,2,0,0,0,0|2,0,0]=4 12882 B13R1.164 CC(C)CSc1ccc(cc1Br)F 62a_100011217111_100000210760 [0,2,0,0,0,0|2,0,0]=4 12883 B13R1.164 CC(C)CSc1ccc(cc1Br)N 62a_100000210624_100000750458 [0,2,0,0,0,0|2,0,0]=4 12884 B13R1.164 CC(C)CSc1ccc(cc1Br)N 62a_100000750458_100000210760 [0,2,0,0,0,0|2,0,0]=4 12885 B13R1.164 CC(C)CSc1ccc(cc1Br)O 62a_100000210624_100000701344 [0,2,0,0,0,0|2,0,0]=4 12886 B13R1.164 CC(C)CSc1ccc(cc1Br)O 62a_100000701344_100000210760 [0,2,0,0,0,0|2,0,0]=4 12887 B13R1.164 CC(C)CSc1ccc(cc1Cl)Br 62a_100000210624_100011216062 [0,2,0,0,0,0|2,0,0]=4 12888 B13R1.164 CC(C)CSc1ccc(cc1Cl)Br 62a_100011216062_100000210760 [0,2,0,0,0,0|2,0,0]=4 12889 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000210624_100000699841 [0,2,0,0,0,0|2,0,0]=4 12890 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000210760 [0,2,0,0,0,0|2,0,0]=4 12891 B13R1.164 CC(C)CSc1ccc(cc1Cl)F 62a_100000210624_100000733362 [0,2,0,0,0,0|2,0,0]=4 12892 B13R1.164 CC(C)CSc1ccc(cc1Cl)F 62a_100000733362_100000210760 [0,2,0,0,0,0|2,0,0]=4 12893 B13R1.164 CC(C)CSc1ccc(cc1Cl)N 62a_100000210624_100000761885 [0,2,0,0,0,0|2,0,0]=4 12894 B13R1.164 CC(C)CSc1ccc(cc1Cl)N 62a_100000761885_100000210760 [0,2,0,0,0,0|2,0,0]=4 12895 B13R1.164 CC(C)CSc1ccc(cc1Cl)O 62a_100000047559_100000210760 [0,2,0,0,0,0|2,0,0]=4 12896 B13R1.164 CC(C)CSc1ccc(cc1Cl)O 62a_100000210624_100000047559 [0,2,0,0,0,0|2,0,0]=4 12897 B13R1.164 CC(C)CSc1ccc(cc1F)Br 62a_100000210624_100009814013 [0,2,0,0,0,0|2,0,0]=4 12898 B13R1.164 CC(C)CSc1ccc(cc1F)Br 62a_100009814013_100000210760 [0,2,0,0,0,0|2,0,0]=4 12899 B13R1.164 CC(C)CSc1ccc(cc1F)Cl 62a_100000210624_100011216042 [0,2,0,0,0,0|2,0,0]=4 12900 B13R1.164 CC(C)CSc1ccc(cc1F)Cl 62a_100011216042_100000210760 [0,2,0,0,0,0|2,0,0]=4 12901 B13R1.164 CC(C)CSc1ccc(cc1F)F 62a_100000210624_100000750030 [0,2,0,0,0,0|2,0,0]=4 12902 B13R1.164 CC(C)CSc1ccc(cc1F)F 62a_100000750030_100000210760 [0,2,0,0,0,0|2,0,0]=4 12903 B13R1.164 CC(C)CSc1ccc(cc1F)N 62a_100000210624_100011356925 [0,2,0,0,0,0|2,0,0]=4 12904 B13R1.164 CC(C)CSc1ccc(cc1F)N 62a_100011356925_100000210760 [0,2,0,0,0,0|2,0,0]=4 12905 B13R1.164 CC(C)CSc1ccc(cc1F)O 62a_100000210624_100000755031 [0,2,0,0,0,0|2,0,0]=4 12906 B13R1.164 CC(C)CSc1ccc(cc1F)O 62a_100000755031_100000210760 [0,2,0,0,0,0|2,0,0]=4 12907 B13R1.164 CC(C)CSc1ccc(cc1N)Br 62a_100000210624_100000743836 [0,2,0,0,0,0|2,0,0]=4 12908 B13R1.164 CC(C)CSc1ccc(cc1N)Br 62a_100000743836_100000210760 [0,2,0,0,0,0|2,0,0]=4 12909 B13R1.164 CC(C)CSc1ccc(cc1N)Cl 62a_100000210624_100000761886 [0,2,0,0,0,0|2,0,0]=4 12910 B13R1.164 CC(C)CSc1ccc(cc1N)Cl 62a_100000761886_100000210760 [0,2,0,0,0,0|2,0,0]=4 12911 B13R1.164 CC(C)CSc1ccc(cc1N)F 62a_100000210624_100000687223 [0,2,0,0,0,0|2,0,0]=4 12912 B13R1.164 CC(C)CSc1ccc(cc1N)F 62a_100000687223_100000210760 [0,2,0,0,0,0|2,0,0]=4 12913 B13R1.164 CC(C)CSc1ccc(cc1N)N 62a_100000210624_200012175722 [0,2,0,0,0,0|2,0,0]=4 12914 B13R1.164 CC(C)CSc1ccc(cc1N)N 62a_200012175722_100000210760 [0,2,0,0,0,0|2,0,0]=4 12915 B13R1.164 CC(C)CSc1ccc(cc1N)O 62a_100000210624_100011999798 [0,2,0,0,0,0|2,0,0]=4 12916 B13R1.164 CC(C)CSc1ccc(cc1N)O 62a_100011999798_100000210760 [0,2,0,0,0,0|2,0,0]=4 12917 B13R1.164 CC(C)CSc1ccc(cc1O)Br 62a_100000210624_100012344904 [0,2,0,0,0,0|2,0,0]=4 12918 B13R1.164 CC(C)CSc1ccc(cc1O)Br 62a_100012344904_100000210760 [0,2,0,0,0,0|2,0,0]=4 12919 B13R1.164 CC(C)CSc1ccc(cc1O)Cl 62a_100000050036_100000210760 [0,2,0,0,0,0|2,0,0]=4 12920 B13R1.164 CC(C)CSc1ccc(cc1O)Cl 62a_100000210624_100000050036 [0,2,0,0,0,0|2,0,0]=4 12921 B13R1.164 CC(C)CSc1ccc(cc1O)F 62a_100000210624_100000690578 [0,2,0,0,0,0|2,0,0]=4 12922 B13R1.164 CC(C)CSc1ccc(cc1O)F 62a_100000690578_100000210760 [0,2,0,0,0,0|2,0,0]=4 12923 B13R1.164 CC(C)CSc1ccc(cc1O)O 62a_100000210624_100009813921 [0,2,0,0,0,0|2,0,0]=4 12924 B13R1.164 CC(C)NCc1ccc(cc1Br)Br 207a_100138425928_100012351556 [0,2,0,0,0,0|2,0,0]=4 12925 B13R1.164 CC(C)NCc1ccc(cc1Br)Br 2230a_100138425928_200012351560 [0,2,0,0,0,0|2,0,0]=4 12926 B13R1.164 CC(C)NCc1ccc(cc1Br)Br 34a_100138425928_200012351560 [0,2,0,0,0,0|2,0,0]=4 12927 B13R1.164 CC(C)NCc1ccc(cc1Br)Cl 207a_100138425928_100000687667 [0,2,0,0,0,0|2,0,0]=4 12928 B13R1.164 CC(C)NCc1ccc(cc1Br)Cl 2230a_100138425928_100000755608 [0,2,0,0,0,0|2,0,0]=4 12929 B13R1.164 CC(C)NCc1ccc(cc1Br)Cl 34a_100102692131_100000210206 [0,2,0,0,0,0|2,0,0]=4 12930 B13R1.164 CC(C)NCc1ccc(cc1Br)Cl 34a_100138425928_100000755608 [0,2,0,0,0,0|2,0,0]=4 12931 B13R1.164 CC(C)NCc1ccc(cc1Br)F 207a_100138425928_100000685661 [0,2,0,0,0,0|2,0,0]=4 12932 B13R1.164 CC(C)NCc1ccc(cc1Br)F 2230a_100138425928_100000243222 [0,2,0,0,0,0|2,0,0]=4 12933 B13R1.164 CC(C)NCc1ccc(cc1Br)F 34a_100000708791_100000210206 [0,2,0,0,0,0|2,0,0]=4 12934 B13R1.164 CC(C)NCc1ccc(cc1Br)F 34a_100138425928_100000243222 [0,2,0,0,0,0|2,0,0]=4 12935 B13R1.164 CC(C)NCc1ccc(cc1Br)I 207a_100138425928_100010185650 [0,2,0,0,0,0|2,0,0]=4 12936 B13R1.164 CC(C)NCc1ccc(cc1Br)I 2230a_100138425928_100010146610 [0,2,0,0,0,0|2,0,0]=4 12937 B13R1.164 CC(C)NCc1ccc(cc1Br)I 34a_100138425928_100010146610 [0,2,0,0,0,0|2,0,0]=4 12938 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 207a_100138425928_100000764164 [0,2,0,0,0,0|2,0,0]=4 12939 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 2230a_100138425928_100011740631 [0,2,0,0,0,0|2,0,0]=4 12940 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 34a_100020628970_100000210206 [0,2,0,0,0,0|2,0,0]=4 12941 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 34a_100138425928_100011740631 [0,2,0,0,0,0|2,0,0]=4 12942 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 207a_100138425928_100000188887 [0,2,0,0,0,0|2,0,0]=4 12943 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 2230a_100138425928_100000188473 [0,2,0,0,0,0|2,0,0]=4 12944 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 34a_100000174880_100000210206 [0,2,0,0,0,0|2,0,0]=4 12945 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 34a_100138425928_100000188473 [0,2,0,0,0,0|2,0,0]=4 12946 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 207a_100138425928_100000752949 [0,2,0,0,0,0|2,0,0]=4 12947 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 2230a_100138425928_100011216360 [0,2,0,0,0,0|2,0,0]=4 12948 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 34a_100000174946_100000210206 [0,2,0,0,0,0|2,0,0]=4 12949 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 34a_100138425928_100011216360 [0,2,0,0,0,0|2,0,0]=4 12950 B13R1.164 CC(C)NCc1ccc(cc1Cl)I 207a_100138425928_100000727542 [0,2,0,0,0,0|2,0,0]=4 12951 B13R1.164 CC(C)NCc1ccc(cc1Cl)O 34a_200161156549_100000210206 [0,2,0,0,0,0|2,0,0]=4 12952 B13R1.164 CC(C)NCc1ccc(cc1F)Br 207a_100138425928_100000211676 [0,2,0,0,0,0|2,0,0]=4 12953 B13R1.164 CC(C)NCc1ccc(cc1F)Br 2230a_100138425928_100000211606 [0,2,0,0,0,0|2,0,0]=4 12954 B13R1.164 CC(C)NCc1ccc(cc1F)Br 34a_100000754580_100000210206 [0,2,0,0,0,0|2,0,0]=4 12955 B13R1.164 CC(C)NCc1ccc(cc1F)Br 34a_100138425928_100000211606 [0,2,0,0,0,0|2,0,0]=4 12956 B13R1.164 CC(C)NCc1ccc(cc1F)Cl 207a_100138425928_100000697372 [0,2,0,0,0,0|2,0,0]=4 12957 B13R1.164 CC(C)NCc1ccc(cc1F)Cl 2230a_100138425928_100000709361 [0,2,0,0,0,0|2,0,0]=4 12958 B13R1.164 CC(C)NCc1ccc(cc1F)Cl 34a_100000708496_100000210206 [0,2,0,0,0,0|2,0,0]=4 12959 B13R1.164 CC(C)NCc1ccc(cc1F)Cl 34a_100138425928_100000709361 [0,2,0,0,0,0|2,0,0]=4 12960 B13R1.164 CC(C)NCc1ccc(cc1F)F 207a_100138425928_100000211964 [0,2,0,0,0,0|2,0,0]=4 12961 B13R1.164 CC(C)NCc1ccc(cc1F)F 2230a_100138425928_100000748237 [0,2,0,0,0,0|2,0,0]=4 12962 B13R1.164 CC(C)NCc1ccc(cc1F)F 34a_100000737868_100000210206 [0,2,0,0,0,0|2,0,0]=4 12963 B13R1.164 CC(C)NCc1ccc(cc1F)F 34a_100138425928_100000748237 [0,2,0,0,0,0|2,0,0]=4 12964 B13R1.164 CC(C)NCc1ccc(cc1F)I 207a_100138425928_100000050965 [0,2,0,0,0,0|2,0,0]=4 12965 B13R1.164 CC(C)NCc1ccc(cc1F)I 2230a_100138425928_100010244991 [0,2,0,0,0,0|2,0,0]=4 12966 B13R1.164 CC(C)NCc1ccc(cc1F)I 34a_100138425928_100010244991 [0,2,0,0,0,0|2,0,0]=4 12967 B13R1.164 CC(C)NCc1ccc(cc1I)Br 207a_100138425928_100010146562 [0,2,0,0,0,0|2,0,0]=4 12968 B13R1.164 CC(C)NCc1ccc(cc1I)Br 2230a_100138425928_100010146615 [0,2,0,0,0,0|2,0,0]=4 12969 B13R1.164 CC(C)NCc1ccc(cc1I)Br 34a_100138425928_100010146615 [0,2,0,0,0,0|2,0,0]=4 12970 B13R1.164 CC(C)NCc1ccc(cc1I)Cl 2230a_100138425928_100010254388 [0,2,0,0,0,0|2,0,0]=4 12971 B13R1.164 CC(C)NCc1ccc(cc1I)Cl 34a_100138425928_100010254388 [0,2,0,0,0,0|2,0,0]=4 12972 B13R1.164 CC(C)NCc1ccc(cc1I)F 207a_100138425928_100010254405 [0,2,0,0,0,0|2,0,0]=4 12973 B13R1.164 CC(C)NCc1ccc(cc1I)F 2230a_100138425928_100012354799 [0,2,0,0,0,0|2,0,0]=4 12974 B13R1.164 CC(C)NCc1ccc(cc1I)F 34a_100138425928_100012354799 [0,2,0,0,0,0|2,0,0]=4 12975 B13R1.164 CC(C)OCc1ccc(cc1Br)Br 34a_100000212225_200012351560 [0,2,0,0,0,0|2,0,0]=4 12976 B13R1.164 CC(C)OCc1ccc(cc1Br)Br 34a_100012357508_100000210206 [0,2,0,0,0,0|2,0,0]=4 12977 B13R1.164 CC(C)OCc1ccc(cc1Br)Br 7a_100012357508_100000210206 [0,2,0,0,0,0|2,0,0]=4 12978 B13R1.164 CC(C)OCc1ccc(cc1Br)Cl 34a_100000212225_100000755608 [0,2,0,0,0,0|2,0,0]=4 12979 B13R1.164 CC(C)OCc1ccc(cc1Br)Cl 34a_100000707881_100000210206 [0,2,0,0,0,0|2,0,0]=4 12980 B13R1.164 CC(C)OCc1ccc(cc1Br)Cl 7a_100000707881_100000210206 [0,2,0,0,0,0|2,0,0]=4 12981 B13R1.164 CC(C)OCc1ccc(cc1Br)F 34a_100000212225_100000243222 [0,2,0,0,0,0|2,0,0]=4 12982 B13R1.164 CC(C)OCc1ccc(cc1Br)F 34a_100000744086_100000210206 [0,2,0,0,0,0|2,0,0]=4 12983 B13R1.164 CC(C)OCc1ccc(cc1Br)F 7a_100000744086_100000210206 [0,2,0,0,0,0|2,0,0]=4 12984 B13R1.164 CC(C)OCc1ccc(cc1Br)I 34a_100000212225_100010146610 [0,2,0,0,0,0|2,0,0]=4 12985 B13R1.164 CC(C)OCc1ccc(cc1Br)I 7a_100010240206_100000210206 [0,2,0,0,0,0|2,0,0]=4 12986 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 34a_100000212225_100011740631 [0,2,0,0,0,0|2,0,0]=4 12987 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 34a_100000756401_100000210206 [0,2,0,0,0,0|2,0,0]=4 12988 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 7a_100000756401_100000210206 [0,2,0,0,0,0|2,0,0]=4 12989 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 34a_100000212225_100000188473 [0,2,0,0,0,0|2,0,0]=4 12990 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 34a_100000215721_100000210206 [0,2,0,0,0,0|2,0,0]=4 12991 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 7a_100000215721_100000210206 [0,2,0,0,0,0|2,0,0]=4 12992 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 34a_100000212225_100011216360 [0,2,0,0,0,0|2,0,0]=4 12993 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 34a_100011219954_100000210206 [0,2,0,0,0,0|2,0,0]=4 12994 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 7a_100011219954_100000210206 [0,2,0,0,0,0|2,0,0]=4 12995 B13R1.164 CC(C)OCc1ccc(cc1Cl)N 34a_100000689119_100000210206 [0,2,0,0,0,0|2,0,0]=4 12996 B13R1.164 CC(C)OCc1ccc(cc1F)Br 34a_100000212225_100000211606 [0,2,0,0,0,0|2,0,0]=4 12997 B13R1.164 CC(C)OCc1ccc(cc1F)Br 34a_100011191541_100000210206 [0,2,0,0,0,0|2,0,0]=4 12998 B13R1.164 CC(C)OCc1ccc(cc1F)Br 7a_100011191541_100000210206 [0,2,0,0,0,0|2,0,0]=4 12999 B13R1.164 CC(C)OCc1ccc(cc1F)Cl 34a_100000212225_100000709361 [0,2,0,0,0,0|2,0,0]=4 13000 B13R1.164 CC(C)OCc1ccc(cc1F)Cl 34a_100011217562_100000210206 [0,2,0,0,0,0|2,0,0]=4 13001 B13R1.164 CC(C)OCc1ccc(cc1F)Cl 7a_100011217562_100000210206 [0,2,0,0,0,0|2,0,0]=4 13002 B13R1.164 CC(C)OCc1ccc(cc1F)F 34a_100000212225_100000748237 [0,2,0,0,0,0|2,0,0]=4 13003 B13R1.164 CC(C)OCc1ccc(cc1F)F 34a_100011215441_100000210206 [0,2,0,0,0,0|2,0,0]=4 13004 B13R1.164 CC(C)OCc1ccc(cc1F)F 7a_100011215441_100000210206 [0,2,0,0,0,0|2,0,0]=4 13005 B13R1.164 CC(C)OCc1ccc(cc1F)I 34a_100000212225_100010244991 [0,2,0,0,0,0|2,0,0]=4 13006 B13R1.164 CC(C)OCc1ccc(cc1F)I 34a_200010202041_100000210206 [0,2,0,0,0,0|2,0,0]=4 13007 B13R1.164 CC(C)OCc1ccc(cc1F)I 7a_200010202041_100000210206 [0,2,0,0,0,0|2,0,0]=4 13008 B13R1.164 CC(C)OCc1ccc(cc1I)Br 34a_100000212225_100010146615 [0,2,0,0,0,0|2,0,0]=4 13009 B13R1.164 CC(C)OCc1ccc(cc1I)Br 7a_100010146605_100000210206 [0,2,0,0,0,0|2,0,0]=4 13010 B13R1.164 CC(C)OCc1ccc(cc1I)Cl 34a_100000212225_100010254388 [0,2,0,0,0,0|2,0,0]=4 13011 B13R1.164 CC(C)OCc1ccc(cc1I)Cl 34a_100000722340_100000210206 [0,2,0,0,0,0|2,0,0]=4 13012 B13R1.164 CC(C)OCc1ccc(cc1I)Cl 7a_100000722340_100000210206 [0,2,0,0,0,0|2,0,0]=4 13013 B13R1.164 CC(C)OCc1ccc(cc1I)F 34a_100000212225_100012354799 [0,2,0,0,0,0|2,0,0]=4 13014 B13R1.164 CC(C)OCc1ccc(cc1I)F 34a_100011356828_100000210206 [0,2,0,0,0,0|2,0,0]=4 13015 B13R1.164 CC(C)OCc1ccc(cc1I)F 7a_100011356828_100000210206 [0,2,0,0,0,0|2,0,0]=4 13016 B13R1.164 CC(C)OCc1ccc(cc1N)Br 34a_100000718831_100000210206 [0,2,0,0,0,0|2,0,0]=4 13017 B13R1.164 CC(C)OCc1ccc(cc1N)Br 7a_100000718831_100000210206 [0,2,0,0,0,0|2,0,0]=4 13018 B13R1.164 CC(C)OCc1ccc(cc1N)Cl 34a_100000238622_100000210206 [0,2,0,0,0,0|2,0,0]=4 13019 B13R1.164 CC(C)OCc1ccc(cc1N)Cl 7a_100000238622_100000210206 [0,2,0,0,0,0|2,0,0]=4 13020 B13R1.164 CC(C)OCc1ccc(cc1N)F 34a_100011996588_100000210206 [0,2,0,0,0,0|2,0,0]=4 13021 B13R1.164 CC(C)SCc1ccc(cc1Br)Br 62a_100000210206_200012351560 [0,2,0,0,0,0|2,0,0]=4 13022 B13R1.164 CC(C)SCc1ccc(cc1Br)Br 62a_200012351560_100000210206 [0,2,0,0,0,0|2,0,0]=4 13023 B13R1.164 CC(C)SCc1ccc(cc1Br)Cl 62a_100000210206_100000755608 [0,2,0,0,0,0|2,0,0]=4 13024 B13R1.164 CC(C)SCc1ccc(cc1Br)Cl 62a_100000755608_100000210206 [0,2,0,0,0,0|2,0,0]=4 13025 B13R1.164 CC(C)SCc1ccc(cc1Br)F 62a_100000210206_100000243222 [0,2,0,0,0,0|2,0,0]=4 13026 B13R1.164 CC(C)SCc1ccc(cc1Br)F 62a_100000243222_100000210206 [0,2,0,0,0,0|2,0,0]=4 13027 B13R1.164 CC(C)SCc1ccc(cc1Br)I 62a_100000210206_100010146610 [0,2,0,0,0,0|2,0,0]=4 13028 B13R1.164 CC(C)SCc1ccc(cc1Br)I 62a_100010146610_100000210206 [0,2,0,0,0,0|2,0,0]=4 13029 B13R1.164 CC(C)SCc1ccc(cc1Cl)Br 62a_100000210206_100011740631 [0,2,0,0,0,0|2,0,0]=4 13030 B13R1.164 CC(C)SCc1ccc(cc1Cl)Br 62a_100011740631_100000210206 [0,2,0,0,0,0|2,0,0]=4 13031 B13R1.164 CC(C)SCc1ccc(cc1Cl)Cl 62a_100000188473_100000210206 [0,2,0,0,0,0|2,0,0]=4 13032 B13R1.164 CC(C)SCc1ccc(cc1Cl)Cl 62a_100000210206_100000188473 [0,2,0,0,0,0|2,0,0]=4 13033 B13R1.164 CC(C)SCc1ccc(cc1Cl)F 62a_100000187853_100000210206 [0,2,0,0,0,0|2,0,0]=4 13034 B13R1.164 CC(C)SCc1ccc(cc1Cl)F 62a_100000210206_100000187853 [0,2,0,0,0,0|2,0,0]=4 13035 B13R1.164 CC(C)SCc1ccc(cc1F)Br 62a_100000210206_100000211606 [0,2,0,0,0,0|2,0,0]=4 13036 B13R1.164 CC(C)SCc1ccc(cc1F)Br 62a_100000211606_100000210206 [0,2,0,0,0,0|2,0,0]=4 13037 B13R1.164 CC(C)SCc1ccc(cc1F)Cl 62a_100000210206_100000709361 [0,2,0,0,0,0|2,0,0]=4 13038 B13R1.164 CC(C)SCc1ccc(cc1F)Cl 62a_100000709361_100000210206 [0,2,0,0,0,0|2,0,0]=4 13039 B13R1.164 CC(C)SCc1ccc(cc1F)F 62a_100000210206_100000748237 [0,2,0,0,0,0|2,0,0]=4 13040 B13R1.164 CC(C)SCc1ccc(cc1F)F 62a_100000748237_100000210206 [0,2,0,0,0,0|2,0,0]=4 13041 B13R1.164 CC(C)SCc1ccc(cc1F)I 62a_100000210206_100010244991 [0,2,0,0,0,0|2,0,0]=4 13042 B13R1.164 CC(C)SCc1ccc(cc1F)I 62a_100010244991_100000210206 [0,2,0,0,0,0|2,0,0]=4 13043 B13R1.164 CC(C)SCc1ccc(cc1I)Br 62a_100000210206_100010146615 [0,2,0,0,0,0|2,0,0]=4 13044 B13R1.164 CC(C)SCc1ccc(cc1I)Br 62a_100010146615_100000210206 [0,2,0,0,0,0|2,0,0]=4 13045 B13R1.164 CC(C)SCc1ccc(cc1I)Cl 62a_100000210206_100010254388 [0,2,0,0,0,0|2,0,0]=4 13046 B13R1.164 CC(C)SCc1ccc(cc1I)Cl 62a_100010254388_100000210206 [0,2,0,0,0,0|2,0,0]=4 13047 B13R1.164 CC(C)SCc1ccc(cc1I)F 62a_100000210206_100012354799 [0,2,0,0,0,0|2,0,0]=4 13048 B13R1.164 CC(C)SCc1ccc(cc1I)F 62a_100012354799_100000210206 [0,2,0,0,0,0|2,0,0]=4 13049 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Br 271570a_200011019289_100011484698 [0,2,0,0,0,0|0,0,2]=4 13050 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Cl 271570a_200011019289_100011219703 [0,2,0,0,0,0|0,0,2]=4 13051 B13R1.164 CC(O)C=Cc1ccc(cc1Br)F 271570a_200011019289_100011217111 [0,2,0,0,0,0|0,0,2]=4 13052 B13R1.164 CC(O)C=Cc1ccc(cc1Br)N 271570a_200011019289_100000750458 [0,2,0,0,0,0|0,0,2]=4 13053 B13R1.164 CC(O)C=Cc1ccc(cc1Br)O 271570a_200011019289_100000701344 [0,2,0,0,0,0|0,0,2]=4 13054 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Br 271570a_200011019289_100011216062 [0,2,0,0,0,0|0,0,2]=4 13055 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Cl 271570a_200011019289_100000699841 [0,2,0,0,0,0|0,0,2]=4 13056 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)F 271570a_200011019289_100000733362 [0,2,0,0,0,0|0,0,2]=4 13057 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)N 271570a_200011019289_100000761885 [0,2,0,0,0,0|0,0,2]=4 13058 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)O 271570a_200011019289_100000047559 [0,2,0,0,0,0|0,0,2]=4 13059 B13R1.164 CC(O)C=Cc1ccc(cc1F)Br 271570a_200011019289_100009814013 [0,2,0,0,0,0|0,0,2]=4 13060 B13R1.164 CC(O)C=Cc1ccc(cc1F)Cl 271570a_200011019289_100011216042 [0,2,0,0,0,0|0,0,2]=4 13061 B13R1.164 CC(O)C=Cc1ccc(cc1F)F 271570a_200011019289_100000750030 [0,2,0,0,0,0|0,0,2]=4 13062 B13R1.164 CC(O)C=Cc1ccc(cc1F)N 271570a_200011019289_100011356925 [0,2,0,0,0,0|0,0,2]=4 13063 B13R1.164 CC(O)C=Cc1ccc(cc1F)O 271570a_200011019289_100000755031 [0,2,0,0,0,0|0,0,2]=4 13064 B13R1.164 CC(O)C=Cc1ccc(cc1N)Br 271570a_200011019289_100000743836 [0,2,0,0,0,0|0,0,2]=4 13065 B13R1.164 CC(O)C=Cc1ccc(cc1N)Cl 271570a_200011019289_100000761886 [0,2,0,0,0,0|0,0,2]=4 13066 B13R1.164 CC(O)C=Cc1ccc(cc1N)F 271570a_200011019289_100011218093 [0,2,0,0,0,0|0,0,2]=4 13067 B13R1.164 CC(O)C=Cc1ccc(cc1N)N 271570a_200011019289_200012175722 [0,2,0,0,0,0|0,0,2]=4 13068 B13R1.164 CC(O)C=Cc1ccc(cc1N)O 271570a_200011019289_100011999798 [0,2,0,0,0,0|0,0,2]=4 13069 B13R1.164 CC(O)C=Cc1ccc(cc1O)Br 271570a_200011019289_100012344904 [0,2,0,0,0,0|0,0,2]=4 13070 B13R1.164 CC(O)C=Cc1ccc(cc1O)Cl 271570a_200011019289_100000050036 [0,2,0,0,0,0|0,0,2]=4 13071 B13R1.164 CC(O)C=Cc1ccc(cc1O)F 271570a_200011019289_100000690578 [0,2,0,0,0,0|0,0,2]=4 13072 B13R1.164 CC(O)C=Cc1ccc(cc1O)O 271570a_200011019289_100009813921 [0,2,0,0,0,0|0,0,2]=4 13073 B13R1.164 CC(O)CNc1ccc(cc1Br)Br 34a_100000211012_100011218427 [0,2,0,0,0,0|1,0,0]=3 13074 B13R1.164 CC(O)CNc1ccc(cc1Br)Cl 34a_100000752454_100011218427 [0,2,0,0,0,0|1,0,0]=3 13075 B13R1.164 CC(O)CNc1ccc(cc1Br)F 34a_100000738039_100011218427 [0,2,0,0,0,0|1,0,0]=3 13076 B13R1.164 CC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011218427 [0,2,0,0,0,0|1,0,0]=3 13077 B13R1.164 CC(O)CNc1ccc(cc1Cl)Br 34a_100000211467_100011218427 [0,2,0,0,0,0|1,0,0]=3 13078 B13R1.164 CC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011218427 [0,2,0,0,0,0|1,0,0]=3 13079 B13R1.164 CC(O)CNc1ccc(cc1Cl)F 34a_100000212003_100011218427 [0,2,0,0,0,0|1,0,0]=3 13080 B13R1.164 CC(O)CNc1ccc(cc1Cl)I 34a_100011218065_100011218427 [0,2,0,0,0,0|1,0,0]=3 13081 B13R1.164 CC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011218427 [0,2,0,0,0,0|1,0,0]=3 13082 B13R1.164 CC(O)CNc1ccc(cc1F)Br 34a_100000210722_100011218427 [0,2,0,0,0,0|1,0,0]=3 13083 B13R1.164 CC(O)CNc1ccc(cc1F)Cl 34a_100000211020_100011218427 [0,2,0,0,0,0|1,0,0]=3 13084 B13R1.164 CC(O)CNc1ccc(cc1F)F 34a_100000210720_100011218427 [0,2,0,0,0,0|1,0,0]=3 13085 B13R1.164 CC(O)CNc1ccc(cc1F)I 34a_100011215594_100011218427 [0,2,0,0,0,0|1,0,0]=3 13086 B13R1.164 CC(O)CNc1ccc(cc1F)O 34a_100000759473_100011218427 [0,2,0,0,0,0|1,0,0]=3 13087 B13R1.164 CC(O)CNc1ccc(cc1I)Br 34a_100000187925_100011218427 [0,2,0,0,0,0|1,0,0]=3 13088 B13R1.164 CC(O)CNc1ccc(cc1I)Cl 34a_100000761889_100011218427 [0,2,0,0,0,0|1,0,0]=3 13089 B13R1.164 CC(O)CNc1ccc(cc1I)F 34a_100000760547_100011218427 [0,2,0,0,0,0|1,0,0]=3 13090 B13R1.164 CC(O)CNc1ccc(cc1I)O 34a_100010084370_100011218427 [0,2,0,0,0,0|1,0,0]=3 13091 B13R1.164 CC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011218427 [0,2,0,0,0,0|1,0,0]=3 13092 B13R1.164 CC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011218427 [0,2,0,0,0,0|1,0,0]=3 13093 B13R1.164 CC(O)CNc1ccc(cc1O)F 34a_100000753323_100011218427 [0,2,0,0,0,0|1,0,0]=3 13094 B13R1.164 CC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218427 [0,2,0,0,0,0|1,0,0]=3 13095 B13R1.164 CC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011218427 [0,2,0,0,0,0|1,0,0]=3 13096 B13R1.164 CC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011218427 [0,2,0,0,0,0|1,0,0]=3 13097 B13R1.164 CC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011218427 [0,2,0,0,0,0|1,0,0]=3 13098 B13R1.164 CC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011218427 [0,2,0,0,0,0|1,0,0]=3 13099 B13R1.164 CC(O)COc1ccc(cc1Br)F 34a_100000211999_100011218427 [0,2,0,0,0,0|1,0,0]=3 13100 B13R1.164 CC(O)COc1ccc(cc1Br)F 7a_100000211999_100011218427 [0,2,0,0,0,0|1,0,0]=3 13101 B13R1.164 CC(O)COc1ccc(cc1Br)I 34a_100012361655_100011218427 [0,2,0,0,0,0|1,0,0]=3 13102 B13R1.164 CC(O)COc1ccc(cc1Br)I 7a_100012361655_100011218427 [0,2,0,0,0,0|1,0,0]=3 13103 B13R1.164 CC(O)COc1ccc(cc1Br)N 34a_100011534360_100011218427 [0,2,0,0,0,0|1,0,0]=3 13104 B13R1.164 CC(O)COc1ccc(cc1Br)N 7a_100011534360_100011218427 [0,2,0,0,0,0|1,0,0]=3 13105 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011218427 [0,2,0,0,0,0|1,0,0]=3 13106 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011218427 [0,2,0,0,0,0|1,0,0]=3 13107 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011218427 [0,2,0,0,0,0|1,0,0]=3 13108 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011218427 [0,2,0,0,0,0|1,0,0]=3 13109 B13R1.164 CC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011218427 [0,2,0,0,0,0|1,0,0]=3 13110 B13R1.164 CC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011218427 [0,2,0,0,0,0|1,0,0]=3 13111 B13R1.164 CC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011218427 [0,2,0,0,0,0|1,0,0]=3 13112 B13R1.164 CC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011218427 [0,2,0,0,0,0|1,0,0]=3 13113 B13R1.164 CC(O)COc1ccc(cc1Cl)N 34a_100000744943_100011218427 [0,2,0,0,0,0|1,0,0]=3 13114 B13R1.164 CC(O)COc1ccc(cc1Cl)N 7a_100000744943_100011218427 [0,2,0,0,0,0|1,0,0]=3 13115 B13R1.164 CC(O)COc1ccc(cc1F)Br 34a_100000185481_100011218427 [0,2,0,0,0,0|1,0,0]=3 13116 B13R1.164 CC(O)COc1ccc(cc1F)Br 7a_100000185481_100011218427 [0,2,0,0,0,0|1,0,0]=3 13117 B13R1.164 CC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011218427 [0,2,0,0,0,0|1,0,0]=3 13118 B13R1.164 CC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011218427 [0,2,0,0,0,0|1,0,0]=3 13119 B13R1.164 CC(O)COc1ccc(cc1F)F 34a_100000230127_100011218427 [0,2,0,0,0,0|1,0,0]=3 13120 B13R1.164 CC(O)COc1ccc(cc1F)F 7a_100000230127_100011218427 [0,2,0,0,0,0|1,0,0]=3 13121 B13R1.164 CC(O)COc1ccc(cc1F)I 34a_100011356965_100011218427 [0,2,0,0,0,0|1,0,0]=3 13122 B13R1.164 CC(O)COc1ccc(cc1F)I 7a_100011356965_100011218427 [0,2,0,0,0,0|1,0,0]=3 13123 B13R1.164 CC(O)COc1ccc(cc1F)N 34a_100011220035_100011218427 [0,2,0,0,0,0|1,0,0]=3 13124 B13R1.164 CC(O)COc1ccc(cc1F)N 7a_100011220035_100011218427 [0,2,0,0,0,0|1,0,0]=3 13125 B13R1.164 CC(O)COc1ccc(cc1I)Br 34a_100012355227_100011218427 [0,2,0,0,0,0|1,0,0]=3 13126 B13R1.164 CC(O)COc1ccc(cc1I)Br 7a_100012355227_100011218427 [0,2,0,0,0,0|1,0,0]=3 13127 B13R1.164 CC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011218427 [0,2,0,0,0,0|1,0,0]=3 13128 B13R1.164 CC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011218427 [0,2,0,0,0,0|1,0,0]=3 13129 B13R1.164 CC(O)COc1ccc(cc1I)F 34a_100012355409_100011218427 [0,2,0,0,0,0|1,0,0]=3 13130 B13R1.164 CC(O)COc1ccc(cc1I)F 7a_100012355409_100011218427 [0,2,0,0,0,0|1,0,0]=3 13131 B13R1.164 CC(O)COc1ccc(cc1I)I 7a_100010001573_100011218427 [0,2,0,0,0,0|1,0,0]=3 13132 B13R1.164 CC(O)COc1ccc(cc1N)Br 34a_100000752626_100011218427 [0,2,0,0,0,0|1,0,0]=3 13133 B13R1.164 CC(O)COc1ccc(cc1N)Br 7a_100000752626_100011218427 [0,2,0,0,0,0|1,0,0]=3 13134 B13R1.164 CC(O)COc1ccc(cc1N)Cl 34a_100000210500_100011218427 [0,2,0,0,0,0|1,0,0]=3 13135 B13R1.164 CC(O)COc1ccc(cc1N)Cl 7a_100000210500_100011218427 [0,2,0,0,0,0|1,0,0]=3 13136 B13R1.164 CC(O)COc1ccc(cc1N)F 34a_100000759472_100011218427 [0,2,0,0,0,0|1,0,0]=3 13137 B13R1.164 CC(O)COc1ccc(cc1N)F 7a_100000759472_100011218427 [0,2,0,0,0,0|1,0,0]=3 13138 B13R1.164 CC(O)COc1ccc(cc1N)I 34a_100000753495_100011218427 [0,2,0,0,0,0|1,0,0]=3 13139 B13R1.164 CC(O)COc1ccc(cc1N)I 7a_100000753495_100011218427 [0,2,0,0,0,0|1,0,0]=3 13140 B13R1.164 CC(O)COc1ccc(cc1N)N 34a_100000725306_100011218427 [0,2,0,0,0,0|1,0,0]=3 13141 B13R1.164 CC(O)COc1ccc(nc1Br)Br 34a_100009999766_100011218427 [0,2,0,0,0,0|2,0,0]=4 13142 B13R1.164 CC(O)COc1ccc(nc1Br)Br 7a_100009999766_100011218427 [0,2,0,0,0,0|2,0,0]=4 13143 B13R1.164 CC(O)COc1ccc(nc1Br)Cl 34a_100010219353_100011218427 [0,2,0,0,0,0|2,0,0]=4 13144 B13R1.164 CC(O)COc1ccc(nc1Br)Cl 7a_100010219353_100011218427 [0,2,0,0,0,0|2,0,0]=4 13145 B13R1.164 CC(O)COc1ccc(nc1Br)F 34a_100009887730_100011218427 [0,2,0,0,0,0|2,0,0]=4 13146 B13R1.164 CC(O)COc1ccc(nc1Br)F 7a_100009887730_100011218427 [0,2,0,0,0,0|2,0,0]=4 13147 B13R1.164 CC(O)COc1ccc(nc1Br)I 34a_100000725334_100011218427 [0,2,0,0,0,0|2,0,0]=4 13148 B13R1.164 CC(O)COc1ccc(nc1Br)I 7a_100000725334_100011218427 [0,2,0,0,0,0|2,0,0]=4 13149 B13R1.164 CC(O)COc1ccc(nc1Cl)Br 34a_100010246206_100011218427 [0,2,0,0,0,0|2,0,0]=4 13150 B13R1.164 CC(O)COc1ccc(nc1Cl)Br 7a_100010246206_100011218427 [0,2,0,0,0,0|2,0,0]=4 13151 B13R1.164 CC(O)COc1ccc(nc1Cl)Cl 34a_100000101165_100011218427 [0,2,0,0,0,0|2,0,0]=4 13152 B13R1.164 CC(O)COc1ccc(nc1Cl)Cl 7a_100000101165_100011218427 [0,2,0,0,0,0|2,0,0]=4 13153 B13R1.164 CC(O)COc1ccc(nc1Cl)I 34a_100000721234_100011218427 [0,2,0,0,0,0|2,0,0]=4 13154 B13R1.164 CC(O)COc1ccc(nc1Cl)I 7a_100000721234_100011218427 [0,2,0,0,0,0|2,0,0]=4 13155 B13R1.164 CC(O)COc1ccc(nc1F)Br 34a_100009819667_100011218427 [0,2,0,0,0,0|2,0,0]=4 13156 B13R1.164 CC(O)COc1ccc(nc1F)Br 7a_100009819667_100011218427 [0,2,0,0,0,0|2,0,0]=4 13157 B13R1.164 CC(O)COc1ccc(nc1F)Cl 34a_100009880201_100011218427 [0,2,0,0,0,0|2,0,0]=4 13158 B13R1.164 CC(O)COc1ccc(nc1F)Cl 7a_100009880201_100011218427 [0,2,0,0,0,0|2,0,0]=4 13159 B13R1.164 CC(O)COc1ccc(nc1F)F 34a_100000101184_100011218427 [0,2,0,0,0,0|2,0,0]=4 13160 B13R1.164 CC(O)COc1ccc(nc1F)F 7a_100000101184_100011218427 [0,2,0,0,0,0|2,0,0]=4 13161 B13R1.164 CC(O)COc1ccc(nc1I)Br 34a_100010253912_100011218427 [0,2,0,0,0,0|2,0,0]=4 13162 B13R1.164 CC(O)COc1ccc(nc1I)Br 7a_100010253912_100011218427 [0,2,0,0,0,0|2,0,0]=4 13163 B13R1.164 CC(O)COc1ccc(nc1I)Cl 34a_100000696390_100011218427 [0,2,0,0,0,0|2,0,0]=4 13164 B13R1.164 CC(O)COc1ccc(nc1I)Cl 7a_100000696390_100011218427 [0,2,0,0,0,0|2,0,0]=4 13165 B13R1.164 CC(O)COc1ccc(nc1I)F 34a_100010382442_100011218427 [0,2,0,0,0,0|2,0,0]=4 13166 B13R1.164 CC(O)COc1ccc(nc1I)F 7a_100010382442_100011218427 [0,2,0,0,0,0|2,0,0]=4 13167 B13R1.164 CC(O)COc1ccc(nc1N)Br 34a_100000685527_100011218427 [0,2,0,0,0,0|2,0,0]=4 13168 B13R1.164 CC(O)COc1ccc(nc1N)Br 7a_100000685527_100011218427 [0,2,0,0,0,0|2,0,0]=4 13169 B13R1.164 CC(O)COc1ccc(nc1N)Cl 34a_100000717809_100011218427 [0,2,0,0,0,0|2,0,0]=4 13170 B13R1.164 CC(O)COc1ccc(nc1N)Cl 7a_100000717809_100011218427 [0,2,0,0,0,0|2,0,0]=4 13171 B13R1.164 CC(O)COc1cnc(cc1Cl)Cl 34a_100009868576_100011218427 [0,2,0,0,0,0|2,0,0]=4 13172 B13R1.164 CC(O)COc1cnc(cc1Cl)Cl 7a_100009868576_100011218427 [0,2,0,0,0,0|2,0,0]=4 13173 B13R1.164 CC(O)COc1cnc(cc1F)F 34a_100009885687_100011218427 [0,2,0,0,0,0|2,0,0]=4 13174 B13R1.164 CC(O)COc1cnc(cc1F)F 7a_100009885687_100011218427 [0,2,0,0,0,0|2,0,0]=4 13175 B13R1.164 CC(O)COc1cnc(cc1I)Cl 34a_100000698892_100011218427 [0,2,0,0,0,0|2,0,0]=4 13176 B13R1.164 CC(O)COc1cnc(cc1I)Cl 7a_100000698892_100011218427 [0,2,0,0,0,0|2,0,0]=4 13177 B13R1.164 CC(O)COc1cnc(cc1N)Br 34a_100009819941_100011218427 [0,2,0,0,0,0|2,0,0]=4 13178 B13R1.164 CC(O)COc1cnc(cc1N)Br 7a_100009819941_100011218427 [0,2,0,0,0,0|2,0,0]=4 13179 B13R1.164 CC(O)COc1ncc(cc1Br)Br 34a_100000701035_100011218427 [0,2,0,0,0,0|2,0,0]=4 13180 B13R1.164 CC(O)COc1ncc(cc1Cl)Br 34a_100012339560_100011218427 [0,2,0,0,0,0|2,0,0]=4 13181 B13R1.164 CC(O)COc1ncc(cc1Cl)F 34a_100009847679_100011218427 [0,2,0,0,0,0|2,0,0]=4 13182 B13R1.164 CC(O)COc1ncc(cc1F)Cl 34a_100011998252_100011218427 [0,2,0,0,0,0|2,0,0]=4 13183 B13R1.164 CC(O)COc1ncc(cc1F)F 34a_100012025737_100011218427 [0,2,0,0,0,0|2,0,0]=4 13184 B13R1.164 CC(O)COc1ncc(cc1N)Br 34a_100000743729_100011218427 [0,2,0,0,0,0|2,0,0]=4 13185 B13R1.164 CC(O)COc1ncc(cc1N)Cl 34a_100011998249_100011218427 [0,2,0,0,0,0|2,0,0]=4 13186 B13R1.164 CC(O)CSc1c[nH]c(=O)cc1F 62a_100011218427_100015631685 [0,2,0,0,0,0|2,0,0]=4 13187 B13R1.164 CC(O)CSc1c[nH]c(=O)cc1F 62a_100015631685_100011218427 [0,2,0,0,0,0|2,0,0]=4 13188 B13R1.164 CC(O)CSc1ccc(=O)[nH]c1N 62a_100009884077_100011218427 [0,2,0,0,0,0|2,0,0]=4 13189 B13R1.164 CC(O)CSc1ccc(c[n+]1[O-])F 62a_100009817261_100011218427 [0,2,0,0,0,0|2,0,0]=4 13190 B13R1.164 CC(O)CSc1ccc(c[n+]1[O-])F 62a_100011218427_100009817261 [0,2,0,0,0,0|2,0,0]=4 13191 B13R1.164 CC(O)CSc1ccc(cc1Br)Br 62a_100011218427_100011484698 [0,2,0,0,0,0|1,0,0]=3 13192 B13R1.164 CC(O)CSc1ccc(cc1Br)Br 62a_100011484698_100011218427 [0,2,0,0,0,0|1,0,0]=3 13193 B13R1.164 CC(O)CSc1ccc(cc1Br)Cl 62a_100011218427_100011219703 [0,2,0,0,0,0|1,0,0]=3 13194 B13R1.164 CC(O)CSc1ccc(cc1Br)Cl 62a_100011219703_100011218427 [0,2,0,0,0,0|1,0,0]=3 13195 B13R1.164 CC(O)CSc1ccc(cc1Br)F 62a_100011217111_100011218427 [0,2,0,0,0,0|1,0,0]=3 13196 B13R1.164 CC(O)CSc1ccc(cc1Br)F 62a_100011218427_100011217111 [0,2,0,0,0,0|1,0,0]=3 13197 B13R1.164 CC(O)CSc1ccc(cc1Br)N 62a_100000750458_100011218427 [0,2,0,0,0,0|1,0,0]=3 13198 B13R1.164 CC(O)CSc1ccc(cc1Br)N 62a_100011218427_100000750458 [0,2,0,0,0,0|1,0,0]=3 13199 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011218427 [0,2,0,0,0,0|1,0,0]=3 13200 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100011218427_100000701344 [0,2,0,0,0,0|1,0,0]=3 13201 B13R1.164 CC(O)CSc1ccc(cc1Cl)Br 62a_100011216062_100011218427 [0,2,0,0,0,0|1,0,0]=3 13202 B13R1.164 CC(O)CSc1ccc(cc1Cl)Br 62a_100011218427_100011216062 [0,2,0,0,0,0|1,0,0]=3 13203 B13R1.164 CC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011218427 [0,2,0,0,0,0|1,0,0]=3 13204 B13R1.164 CC(O)CSc1ccc(cc1Cl)Cl 62a_100011218427_100000699841 [0,2,0,0,0,0|1,0,0]=3 13205 B13R1.164 CC(O)CSc1ccc(cc1Cl)F 62a_100000733362_100011218427 [0,2,0,0,0,0|1,0,0]=3 13206 B13R1.164 CC(O)CSc1ccc(cc1Cl)F 62a_100011218427_100000733362 [0,2,0,0,0,0|1,0,0]=3 13207 B13R1.164 CC(O)CSc1ccc(cc1Cl)N 62a_100000761885_100011218427 [0,2,0,0,0,0|1,0,0]=3 13208 B13R1.164 CC(O)CSc1ccc(cc1Cl)N 62a_100011218427_100000761885 [0,2,0,0,0,0|1,0,0]=3 13209 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011218427 [0,2,0,0,0,0|1,0,0]=3 13210 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100011218427_100000047559 [0,2,0,0,0,0|1,0,0]=3 13211 B13R1.164 CC(O)CSc1ccc(cc1F)Br 62a_100009814013_100011218427 [0,2,0,0,0,0|1,0,0]=3 13212 B13R1.164 CC(O)CSc1ccc(cc1F)Br 62a_100011218427_100009814013 [0,2,0,0,0,0|1,0,0]=3 13213 B13R1.164 CC(O)CSc1ccc(cc1F)Cl 62a_100011216042_100011218427 [0,2,0,0,0,0|1,0,0]=3 13214 B13R1.164 CC(O)CSc1ccc(cc1F)Cl 62a_100011218427_100011216042 [0,2,0,0,0,0|1,0,0]=3 13215 B13R1.164 CC(O)CSc1ccc(cc1F)F 62a_100000750030_100011218427 [0,2,0,0,0,0|1,0,0]=3 13216 B13R1.164 CC(O)CSc1ccc(cc1F)F 62a_100011218427_100000750030 [0,2,0,0,0,0|1,0,0]=3 13217 B13R1.164 CC(O)CSc1ccc(cc1F)N 62a_100011218427_100011356925 [0,2,0,0,0,0|1,0,0]=3 13218 B13R1.164 CC(O)CSc1ccc(cc1F)N 62a_100011356925_100011218427 [0,2,0,0,0,0|1,0,0]=3 13219 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100000755031_100011218427 [0,2,0,0,0,0|1,0,0]=3 13220 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100011218427_100000755031 [0,2,0,0,0,0|1,0,0]=3 13221 B13R1.164 CC(O)CSc1ccc(cc1N)Br 62a_100000743836_100011218427 [0,2,0,0,0,0|1,0,0]=3 13222 B13R1.164 CC(O)CSc1ccc(cc1N)Br 62a_100011218427_100000743836 [0,2,0,0,0,0|1,0,0]=3 13223 B13R1.164 CC(O)CSc1ccc(cc1N)Cl 62a_100000761886_100011218427 [0,2,0,0,0,0|1,0,0]=3 13224 B13R1.164 CC(O)CSc1ccc(cc1N)Cl 62a_100011218427_100000761886 [0,2,0,0,0,0|1,0,0]=3 13225 B13R1.164 CC(O)CSc1ccc(cc1N)F 62a_100000687223_100011218427 [0,2,0,0,0,0|1,0,0]=3 13226 B13R1.164 CC(O)CSc1ccc(cc1N)F 62a_100011218427_100000687223 [0,2,0,0,0,0|1,0,0]=3 13227 B13R1.164 CC(O)CSc1ccc(cc1N)N 62a_100011218427_200012175722 [0,2,0,0,0,0|1,0,0]=3 13228 B13R1.164 CC(O)CSc1ccc(cc1N)N 62a_200012175722_100011218427 [0,2,0,0,0,0|1,0,0]=3 13229 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011218427_100011999798 [0,2,0,0,0,0|1,0,0]=3 13230 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011999798_100011218427 [0,2,0,0,0,0|1,0,0]=3 13231 B13R1.164 CC(O)CSc1ccc(cc1O)Br 62a_100011218427_100012344904 [0,2,0,0,0,0|1,0,0]=3 13232 B13R1.164 CC(O)CSc1ccc(cc1O)Br 62a_100012344904_100011218427 [0,2,0,0,0,0|1,0,0]=3 13233 B13R1.164 CC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100011218427 [0,2,0,0,0,0|1,0,0]=3 13234 B13R1.164 CC(O)CSc1ccc(cc1O)Cl 62a_100011218427_100000050036 [0,2,0,0,0,0|1,0,0]=3 13235 B13R1.164 CC(O)CSc1ccc(cc1O)F 62a_100000690578_100011218427 [0,2,0,0,0,0|1,0,0]=3 13236 B13R1.164 CC(O)CSc1ccc(cc1O)F 62a_100011218427_100000690578 [0,2,0,0,0,0|1,0,0]=3 13237 B13R1.164 CC(O)CSc1ccc(cc1O)O 62a_100011218427_100009813921 [0,2,0,0,0,0|1,0,0]=3 13238 B13R1.164 CC(O)CSc1ccc(nc1Br)N 62a_100010734177_100011218427 [0,2,0,0,0,0|2,0,0]=4 13239 B13R1.164 CC(O)CSc1ccc(nc1Br)N 62a_100011218427_100010734177 [0,2,0,0,0,0|2,0,0]=4 13240 B13R1.164 CC(O)CSc1ccc(nc1Cl)Br 62a_100010246183_100011218427 [0,2,0,0,0,0|2,0,0]=4 13241 B13R1.164 CC(O)CSc1ccc(nc1Cl)Br 62a_100011218427_100010246183 [0,2,0,0,0,0|2,0,0]=4 13242 B13R1.164 CC(O)CSc1ccc(nc1Cl)Cl 62a_100011218427_100000043682 [0,2,0,0,0,0|2,0,0]=4 13243 B13R1.164 CC(O)CSc1ccc(nc1Cl)N 62a_100010270343_100011218427 [0,2,0,0,0,0|2,0,0]=4 13244 B13R1.164 CC(O)CSc1ccc(nc1Cl)N 62a_100011218427_100010270343 [0,2,0,0,0,0|2,0,0]=4 13245 B13R1.164 CC(O)CSc1ccc(nc1F)Cl 62a_100010168078_100011218427 [0,2,0,0,0,0|2,0,0]=4 13246 B13R1.164 CC(O)CSc1ccc(nc1F)Cl 62a_100011218427_100010168078 [0,2,0,0,0,0|2,0,0]=4 13247 B13R1.164 CC(O)CSc1ccc(nc1F)F 62a_100000070099_100011218427 [0,2,0,0,0,0|2,0,0]=4 13248 B13R1.164 CC(O)CSc1ccc(nc1F)F 62a_100011218427_100000070099 [0,2,0,0,0,0|2,0,0]=4 13249 B13R1.164 CC(O)CSc1ccc(nc1F)N 62a_100009882772_100011218427 [0,2,0,0,0,0|2,0,0]=4 13250 B13R1.164 CC(O)CSc1ccc(nc1F)N 62a_100011218427_100009882772 [0,2,0,0,0,0|2,0,0]=4 13251 B13R1.164 CC(O)CSc1ccc(nc1F)O 62a_100009879308_100011218427 [0,2,0,0,0,0|2,0,0]=4 13252 B13R1.164 CC(O)CSc1ccc(nc1F)O 62a_100011218427_100009879308 [0,2,0,0,0,0|2,0,0]=4 13253 B13R1.164 CC(O)CSc1ccc(nc1N)Cl 62a_100010171640_100011218427 [0,2,0,0,0,0|2,0,0]=4 13254 B13R1.164 CC(O)CSc1ccc(nc1N)Cl 62a_100011218427_100010171640 [0,2,0,0,0,0|2,0,0]=4 13255 B13R1.164 CC(O)CSc1ccc(nc1N)F 62a_100009854977_100011218427 [0,2,0,0,0,0|2,0,0]=4 13256 B13R1.164 CC(O)CSc1ccc(nc1N)F 62a_100011218427_100009854977 [0,2,0,0,0,0|2,0,0]=4 13257 B13R1.164 CC(O)CSc1ccc(nc1N)N 62a_100011356871_100011218427 [0,2,0,0,0,0|2,0,0]=4 13258 B13R1.164 CC(O)CSc1cnc(cc1Br)F 62a_100011218427_100015451857 [0,2,0,0,0,0|2,0,0]=4 13259 B13R1.164 CC(O)CSc1cnc(cc1Br)F 62a_100015451857_100011218427 [0,2,0,0,0,0|2,0,0]=4 13260 B13R1.164 CC(O)CSc1cnc(cc1Br)N 62a_100010074611_100011218427 [0,2,0,0,0,0|2,0,0]=4 13261 B13R1.164 CC(O)CSc1cnc(cc1Br)N 62a_100011218427_100010074611 [0,2,0,0,0,0|2,0,0]=4 13262 B13R1.164 CC(O)CSc1cnc(cc1Cl)Br 62a_100010381092_100011218427 [0,2,0,0,0,0|2,0,0]=4 13263 B13R1.164 CC(O)CSc1cnc(cc1Cl)Br 62a_100011218427_100010381092 [0,2,0,0,0,0|2,0,0]=4 13264 B13R1.164 CC(O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100011218427 [0,2,0,0,0,0|2,0,0]=4 13265 B13R1.164 CC(O)CSc1cnc(cc1Cl)Cl 62a_100011218427_100010200927 [0,2,0,0,0,0|2,0,0]=4 13266 B13R1.164 CC(O)CSc1cnc(cc1Cl)N 62a_100000694920_100011218427 [0,2,0,0,0,0|2,0,0]=4 13267 B13R1.164 CC(O)CSc1cnc(cc1Cl)N 62a_100011218427_100000694920 [0,2,0,0,0,0|2,0,0]=4 13268 B13R1.164 CC(O)CSc1cnc(cc1F)Cl 62a_100010128100_100011218427 [0,2,0,0,0,0|2,0,0]=4 13269 B13R1.164 CC(O)CSc1cnc(cc1F)Cl 62a_100011218427_100010128100 [0,2,0,0,0,0|2,0,0]=4 13270 B13R1.164 CC(O)CSc1cnc(cc1F)N 62a_100009844730_100011218427 [0,2,0,0,0,0|2,0,0]=4 13271 B13R1.164 CC(O)CSc1cnc(cc1F)N 62a_100011218427_100009844730 [0,2,0,0,0,0|2,0,0]=4 13272 B13R1.164 CC(O)CSc1cnc(cc1N)Cl 62a_100010209552_100011218427 [0,2,0,0,0,0|2,0,0]=4 13273 B13R1.164 CC(O)CSc1cnc(cc1N)Cl 62a_100011218427_100010209552 [0,2,0,0,0,0|2,0,0]=4 13274 B13R1.164 CC(O)CSc1cnc(cc1N)N 62a_100011218427_200009857908 [0,2,0,0,0,0|2,0,0]=4 13275 B13R1.164 CC(O)CSc1cnc(cc1N)N 62a_200009857908_100011218427 [0,2,0,0,0,0|2,0,0]=4 13276 B13R1.164 CC(O)CSc1ncc(cc1Br)Cl 62a_100011218427_100012154958 [0,2,0,0,0,0|2,0,0]=4 13277 B13R1.164 CC(O)CSc1ncc(cc1Br)Cl 62a_100012154958_100011218427 [0,2,0,0,0,0|2,0,0]=4 13278 B13R1.164 CC(O)CSc1ncc(cc1F)Br 62a_100011218427_100012348576 [0,2,0,0,0,0|2,0,0]=4 13279 B13R1.164 CC(O)CSc1ncc(cc1F)Br 62a_100012348576_100011218427 [0,2,0,0,0,0|2,0,0]=4 13280 B13R1.164 CC(O)CSc1ncc(cc1F)Cl 62a_100011218427_100012348686 [0,2,0,0,0,0|2,0,0]=4 13281 B13R1.164 CC(O)CSc1ncc(cc1F)Cl 62a_100012348686_100011218427 [0,2,0,0,0,0|2,0,0]=4 13282 B13R1.164 CC(O)CSc1ncc(cc1F)F 62a_100011218427_100011219543 [0,2,0,0,0,0|2,0,0]=4 13283 B13R1.164 CC(O)CSc1ncc(cc1F)F 62a_100011219543_100011218427 [0,2,0,0,0,0|2,0,0]=4 13284 B13R1.164 CC(O)CSc1ncc(cc1F)N 62a_100010280766_100011218427 [0,2,0,0,0,0|2,0,0]=4 13285 B13R1.164 CC(O)CSc1ncc(cc1F)N 62a_100011218427_100010280766 [0,2,0,0,0,0|2,0,0]=4 13286 B13R1.164 CC(O)CSc1ncc(cc1F)O 62a_100011218427_100000063512 [0,2,0,0,0,0|2,0,0]=4 13287 B13R1.164 CC(O)CSc1ncc(cc1N)Br 62a_100010090555_100011218427 [0,2,0,0,0,0|2,0,0]=4 13288 B13R1.164 CC(O)CSc1ncc(cc1N)Br 62a_100011218427_100010090555 [0,2,0,0,0,0|2,0,0]=4 13289 B13R1.164 CC(O)CSc1ncc(cc1N)F 62a_100009817643_100011218427 [0,2,0,0,0,0|2,0,0]=4 13290 B13R1.164 CC(O)CSc1ncc(cc1N)F 62a_100011218427_100009817643 [0,2,0,0,0,0|2,0,0]=4 13291 B13R1.164 CC(O)CSc1ncc(cc1N)N 62a_100011218427_200000093520 [0,2,0,0,0,0|2,0,0]=4 13292 B13R1.164 CC(O)CSc1ncc(cc1N)N 62a_200000093520_100011218427 [0,2,0,0,0,0|2,0,0]=4 13293 B13R1.164 CC(O)CSc1ncc(cc1O)Br 62a_100010210634_100011218427 [0,2,0,0,0,0|2,0,0]=4 13294 B13R1.164 CC(O)CSc1ncc(cc1O)Br 62a_100011218427_100010210634 [0,2,0,0,0,0|2,0,0]=4 13295 B13R1.164 CC(O)CSc1ncc(cc1O)Cl 62a_100010233512_100011218427 [0,2,0,0,0,0|2,0,0]=4 13296 B13R1.164 CC(O)CSc1ncc(cc1O)Cl 62a_100011218427_100010233512 [0,2,0,0,0,0|2,0,0]=4 13297 B13R1.164 CC(O)CSc1ncc(cc1O)F 62a_100009820119_100011218427 [0,2,0,0,0,0|2,0,0]=4 13298 B13R1.164 CC(O)CSc1ncc(cc1O)F 62a_100011218427_100000079967 [0,2,0,0,0,0|2,0,0]=4 13299 B13R1.164 CN(C)CCc1ccc(cc1Br)Cl 2230a_100102631434_200012945151 [0,2,0,0,0,0|2,0,0]=4 13300 B13R1.164 CN(C)CCc1ccc(cc1Br)Cl 269982a_100102631434_200012945151 [0,2,0,0,0,0|2,0,0]=4 13301 B13R1.164 CN(C)CCc1ccc(cc1Cl)Cl 2230a_100102631434_200012161198 [0,2,0,0,0,0|2,0,0]=4 13302 B13R1.164 CN(C)CCc1ccc(cc1Cl)Cl 269982a_100102631434_200012161198 [0,2,0,0,0,0|2,0,0]=4 13303 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)Br 34a_100000211012_100009817552 [0,2,0,0,0,0|1,0,0]=3 13304 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)Cl 34a_100000752454_100009817552 [0,2,0,0,0,0|1,0,0]=3 13305 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)F 34a_100000738039_100009817552 [0,2,0,0,0,0|1,0,0]=3 13306 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)O 34a_100012001276_100009817552 [0,2,0,0,0,0|1,0,0]=3 13307 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)Br 34a_100000211467_100009817552 [0,2,0,0,0,0|1,0,0]=3 13308 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009817552 [0,2,0,0,0,0|1,0,0]=3 13309 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)F 34a_100000212003_100009817552 [0,2,0,0,0,0|1,0,0]=3 13310 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)I 34a_100011218065_100009817552 [0,2,0,0,0,0|1,0,0]=3 13311 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)O 34a_100011215599_100009817552 [0,2,0,0,0,0|1,0,0]=3 13312 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)Br 34a_100000210722_100009817552 [0,2,0,0,0,0|1,0,0]=3 13313 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)Cl 34a_100000211020_100009817552 [0,2,0,0,0,0|1,0,0]=3 13314 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)F 34a_100000210720_100009817552 [0,2,0,0,0,0|1,0,0]=3 13315 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)I 34a_100011215594_100009817552 [0,2,0,0,0,0|1,0,0]=3 13316 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)O 34a_100000759473_100009817552 [0,2,0,0,0,0|1,0,0]=3 13317 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)Br 34a_100000187925_100009817552 [0,2,0,0,0,0|1,0,0]=3 13318 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)Cl 34a_100000761889_100009817552 [0,2,0,0,0,0|1,0,0]=3 13319 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)F 34a_100000760547_100009817552 [0,2,0,0,0,0|1,0,0]=3 13320 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)O 34a_100010084370_100009817552 [0,2,0,0,0,0|1,0,0]=3 13321 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)Br 34a_100000739049_100009817552 [0,2,0,0,0,0|1,0,0]=3 13322 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)Cl 34a_100000185728_100009817552 [0,2,0,0,0,0|1,0,0]=3 13323 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)F 34a_100000753323_100009817552 [0,2,0,0,0,0|1,0,0]=3 13324 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)O 34a_100000106777_100009817552 [0,2,0,0,0,0|1,0,0]=3 13325 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Br 34a_100000188717_100009817552 [0,2,0,0,0,0|1,0,0]=3 13326 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Br 7a_100000188717_100009817552 [0,2,0,0,0,0|1,0,0]=3 13327 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Cl 34a_100000211998_100009817552 [0,2,0,0,0,0|1,0,0]=3 13328 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Cl 7a_100000211998_100009817552 [0,2,0,0,0,0|1,0,0]=3 13329 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)F 34a_100000211999_100009817552 [0,2,0,0,0,0|1,0,0]=3 13330 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)F 7a_100000211999_100009817552 [0,2,0,0,0,0|1,0,0]=3 13331 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)I 34a_100012361655_100009817552 [0,2,0,0,0,0|1,0,0]=3 13332 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)I 7a_100012361655_100009817552 [0,2,0,0,0,0|1,0,0]=3 13333 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)N 34a_100011534360_100009817552 [0,2,0,0,0,0|1,0,0]=3 13334 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)N 7a_100011534360_100009817552 [0,2,0,0,0,0|1,0,0]=3 13335 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 34a_100000186472_100009817552 [0,2,0,0,0,0|1,0,0]=3 13336 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 7a_100000186472_100009817552 [0,2,0,0,0,0|1,0,0]=3 13337 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 34a_100015191787_100009817552 [0,2,0,0,0,0|1,0,0]=3 13338 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 7a_100015191787_100009817552 [0,2,0,0,0,0|1,0,0]=3 13339 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 34a_100000212004_100009817552 [0,2,0,0,0,0|1,0,0]=3 13340 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 7a_100000212004_100009817552 [0,2,0,0,0,0|1,0,0]=3 13341 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 34a_100012360047_100009817552 [0,2,0,0,0,0|1,0,0]=3 13342 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 7a_100012360047_100009817552 [0,2,0,0,0,0|1,0,0]=3 13343 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 34a_100000744943_100009817552 [0,2,0,0,0,0|1,0,0]=3 13344 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 7a_100000744943_100009817552 [0,2,0,0,0,0|1,0,0]=3 13345 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Br 34a_100000185481_100009817552 [0,2,0,0,0,0|1,0,0]=3 13346 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Br 7a_100000185481_100009817552 [0,2,0,0,0,0|1,0,0]=3 13347 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Cl 34a_100000230166_100009817552 [0,2,0,0,0,0|1,0,0]=3 13348 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Cl 7a_100000230166_100009817552 [0,2,0,0,0,0|1,0,0]=3 13349 B13R1.164 C[C@@H](O)COc1ccc(cc1F)F 34a_100000230127_100009817552 [0,2,0,0,0,0|1,0,0]=3 13350 B13R1.164 C[C@@H](O)COc1ccc(cc1F)F 7a_100000230127_100009817552 [0,2,0,0,0,0|1,0,0]=3 13351 B13R1.164 C[C@@H](O)COc1ccc(cc1F)I 34a_100011356965_100009817552 [0,2,0,0,0,0|1,0,0]=3 13352 B13R1.164 C[C@@H](O)COc1ccc(cc1F)I 7a_100011356965_100009817552 [0,2,0,0,0,0|1,0,0]=3 13353 B13R1.164 C[C@@H](O)COc1ccc(cc1F)N 34a_100011220035_100009817552 [0,2,0,0,0,0|1,0,0]=3 13354 B13R1.164 C[C@@H](O)COc1ccc(cc1F)N 7a_100011220035_100009817552 [0,2,0,0,0,0|1,0,0]=3 13355 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Br 34a_100012355227_100009817552 [0,2,0,0,0,0|1,0,0]=3 13356 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Br 7a_100012355227_100009817552 [0,2,0,0,0,0|1,0,0]=3 13357 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Cl 34a_100011356953_100009817552 [0,2,0,0,0,0|1,0,0]=3 13358 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Cl 7a_100011356953_100009817552 [0,2,0,0,0,0|1,0,0]=3 13359 B13R1.164 C[C@@H](O)COc1ccc(cc1I)F 34a_100012355409_100009817552 [0,2,0,0,0,0|1,0,0]=3 13360 B13R1.164 C[C@@H](O)COc1ccc(cc1I)F 7a_100012355409_100009817552 [0,2,0,0,0,0|1,0,0]=3 13361 B13R1.164 C[C@@H](O)COc1ccc(cc1I)I 7a_100010001573_100009817552 [0,2,0,0,0,0|1,0,0]=3 13362 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Br 34a_100000752626_100009817552 [0,2,0,0,0,0|1,0,0]=3 13363 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Br 7a_100000752626_100009817552 [0,2,0,0,0,0|1,0,0]=3 13364 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Cl 34a_100000210500_100009817552 [0,2,0,0,0,0|1,0,0]=3 13365 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Cl 7a_100000210500_100009817552 [0,2,0,0,0,0|1,0,0]=3 13366 B13R1.164 C[C@@H](O)COc1ccc(cc1N)F 34a_100000759472_100009817552 [0,2,0,0,0,0|1,0,0]=3 13367 B13R1.164 C[C@@H](O)COc1ccc(cc1N)F 7a_100000759472_100009817552 [0,2,0,0,0,0|1,0,0]=3 13368 B13R1.164 C[C@@H](O)COc1ccc(cc1N)I 34a_100000753495_100009817552 [0,2,0,0,0,0|1,0,0]=3 13369 B13R1.164 C[C@@H](O)COc1ccc(cc1N)I 7a_100000753495_100009817552 [0,2,0,0,0,0|1,0,0]=3 13370 B13R1.164 C[C@@H](O)COc1ccc(cc1N)N 34a_100000725306_100009817552 [0,2,0,0,0,0|1,0,0]=3 13371 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Br 34a_100009999766_100009817552 [0,2,0,0,0,0|2,0,0]=4 13372 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Br 7a_100009999766_100009817552 [0,2,0,0,0,0|2,0,0]=4 13373 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Cl 34a_100010219353_100009817552 [0,2,0,0,0,0|2,0,0]=4 13374 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Cl 7a_100010219353_100009817552 [0,2,0,0,0,0|2,0,0]=4 13375 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)F 34a_100009887730_100009817552 [0,2,0,0,0,0|2,0,0]=4 13376 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)F 7a_100009887730_100009817552 [0,2,0,0,0,0|2,0,0]=4 13377 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)I 34a_100000725334_100009817552 [0,2,0,0,0,0|2,0,0]=4 13378 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)I 7a_100000725334_100009817552 [0,2,0,0,0,0|2,0,0]=4 13379 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Br 34a_100010246206_100009817552 [0,2,0,0,0,0|2,0,0]=4 13380 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Br 7a_100010246206_100009817552 [0,2,0,0,0,0|2,0,0]=4 13381 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Cl 34a_100000101165_100009817552 [0,2,0,0,0,0|2,0,0]=4 13382 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Cl 7a_100000101165_100009817552 [0,2,0,0,0,0|2,0,0]=4 13383 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)I 34a_100000721234_100009817552 [0,2,0,0,0,0|2,0,0]=4 13384 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)I 7a_100000721234_100009817552 [0,2,0,0,0,0|2,0,0]=4 13385 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Br 34a_100009819667_100009817552 [0,2,0,0,0,0|2,0,0]=4 13386 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Br 7a_100009819667_100009817552 [0,2,0,0,0,0|2,0,0]=4 13387 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Cl 34a_100009880201_100009817552 [0,2,0,0,0,0|2,0,0]=4 13388 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Cl 7a_100009880201_100009817552 [0,2,0,0,0,0|2,0,0]=4 13389 B13R1.164 C[C@@H](O)COc1ccc(nc1F)F 34a_100000101184_100009817552 [0,2,0,0,0,0|2,0,0]=4 13390 B13R1.164 C[C@@H](O)COc1ccc(nc1F)F 7a_100000101184_100009817552 [0,2,0,0,0,0|2,0,0]=4 13391 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Br 34a_100010253912_100009817552 [0,2,0,0,0,0|2,0,0]=4 13392 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Br 7a_100010253912_100009817552 [0,2,0,0,0,0|2,0,0]=4 13393 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Cl 34a_100000696390_100009817552 [0,2,0,0,0,0|2,0,0]=4 13394 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Cl 7a_100000696390_100009817552 [0,2,0,0,0,0|2,0,0]=4 13395 B13R1.164 C[C@@H](O)COc1ccc(nc1I)F 34a_100010382442_100009817552 [0,2,0,0,0,0|2,0,0]=4 13396 B13R1.164 C[C@@H](O)COc1ccc(nc1I)F 7a_100010382442_100009817552 [0,2,0,0,0,0|2,0,0]=4 13397 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Br 34a_100000685527_100009817552 [0,2,0,0,0,0|2,0,0]=4 13398 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Br 7a_100000685527_100009817552 [0,2,0,0,0,0|2,0,0]=4 13399 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Cl 34a_100000717809_100009817552 [0,2,0,0,0,0|2,0,0]=4 13400 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Cl 7a_100000717809_100009817552 [0,2,0,0,0,0|2,0,0]=4 13401 B13R1.164 C[C@@H](O)COc1cnc(cc1Cl)Cl 34a_100009868576_100009817552 [0,2,0,0,0,0|2,0,0]=4 13402 B13R1.164 C[C@@H](O)COc1cnc(cc1Cl)Cl 7a_100009868576_100009817552 [0,2,0,0,0,0|2,0,0]=4 13403 B13R1.164 C[C@@H](O)COc1cnc(cc1F)F 34a_100009885687_100009817552 [0,2,0,0,0,0|2,0,0]=4 13404 B13R1.164 C[C@@H](O)COc1cnc(cc1F)F 7a_100009885687_100009817552 [0,2,0,0,0,0|2,0,0]=4 13405 B13R1.164 C[C@@H](O)COc1cnc(cc1I)Cl 34a_100000698892_100009817552 [0,2,0,0,0,0|2,0,0]=4 13406 B13R1.164 C[C@@H](O)COc1cnc(cc1I)Cl 7a_100000698892_100009817552 [0,2,0,0,0,0|2,0,0]=4 13407 B13R1.164 C[C@@H](O)COc1cnc(cc1N)Br 34a_100009819941_100009817552 [0,2,0,0,0,0|2,0,0]=4 13408 B13R1.164 C[C@@H](O)COc1cnc(cc1N)Br 7a_100009819941_100009817552 [0,2,0,0,0,0|2,0,0]=4 13409 B13R1.164 C[C@@H](O)COc1ncc(cc1Br)Br 34a_100000701035_100009817552 [0,2,0,0,0,0|2,0,0]=4 13410 B13R1.164 C[C@@H](O)COc1ncc(cc1Cl)Br 34a_100012339560_100009817552 [0,2,0,0,0,0|2,0,0]=4 13411 B13R1.164 C[C@@H](O)COc1ncc(cc1Cl)F 34a_100009847679_100009817552 [0,2,0,0,0,0|2,0,0]=4 13412 B13R1.164 C[C@@H](O)COc1ncc(cc1F)Cl 34a_100011998252_100009817552 [0,2,0,0,0,0|2,0,0]=4 13413 B13R1.164 C[C@@H](O)COc1ncc(cc1F)F 34a_100012025737_100009817552 [0,2,0,0,0,0|2,0,0]=4 13414 B13R1.164 C[C@@H](O)COc1ncc(cc1N)Br 34a_100000743729_100009817552 [0,2,0,0,0,0|2,0,0]=4 13415 B13R1.164 C[C@@H](O)COc1ncc(cc1N)Cl 34a_100011998249_100009817552 [0,2,0,0,0,0|2,0,0]=4 13416 B13R1.164 C[C@@H](O)CSc1c[nH]c(=O)cc1F 62a_100009817552_100015631685 [0,2,0,0,0,0|2,0,0]=4 13417 B13R1.164 C[C@@H](O)CSc1c[nH]c(=O)cc1F 62a_100015631685_100009817552 [0,2,0,0,0,0|2,0,0]=4 13418 B13R1.164 C[C@@H](O)CSc1ccc(=O)[nH]c1N 62a_100009884077_100009817552 [0,2,0,0,0,0|2,0,0]=4 13419 B13R1.164 C[C@@H](O)CSc1ccc(c[n+]1[O-])F 62a_100009817261_100009817552 [0,2,0,0,0,0|2,0,0]=4 13420 B13R1.164 C[C@@H](O)CSc1ccc(c[n+]1[O-])F 62a_100009817552_100009817261 [0,2,0,0,0,0|2,0,0]=4 13421 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Br 62a_100009817552_100011484698 [0,2,0,0,0,0|1,0,0]=3 13422 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Br 62a_100011484698_100009817552 [0,2,0,0,0,0|1,0,0]=3 13423 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Cl 62a_100009817552_100011219703 [0,2,0,0,0,0|1,0,0]=3 13424 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Cl 62a_100011219703_100009817552 [0,2,0,0,0,0|1,0,0]=3 13425 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)F 62a_100009817552_100011217111 [0,2,0,0,0,0|1,0,0]=3 13426 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)F 62a_100011217111_100009817552 [0,2,0,0,0,0|1,0,0]=3 13427 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)N 62a_100000750458_100009817552 [0,2,0,0,0,0|1,0,0]=3 13428 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)N 62a_100009817552_100000750458 [0,2,0,0,0,0|1,0,0]=3 13429 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100000701344_100009817552 [0,2,0,0,0,0|1,0,0]=3 13430 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100009817552_100000701344 [0,2,0,0,0,0|1,0,0]=3 13431 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Br 62a_100009817552_100011216062 [0,2,0,0,0,0|1,0,0]=3 13432 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Br 62a_100011216062_100009817552 [0,2,0,0,0,0|1,0,0]=3 13433 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100009817552 [0,2,0,0,0,0|1,0,0]=3 13434 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Cl 62a_100009817552_100000699841 [0,2,0,0,0,0|1,0,0]=3 13435 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)F 62a_100000733362_100009817552 [0,2,0,0,0,0|1,0,0]=3 13436 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)F 62a_100009817552_100000733362 [0,2,0,0,0,0|1,0,0]=3 13437 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)N 62a_100000761885_100009817552 [0,2,0,0,0,0|1,0,0]=3 13438 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)N 62a_100009817552_100000761885 [0,2,0,0,0,0|1,0,0]=3 13439 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100000047559_100009817552 [0,2,0,0,0,0|1,0,0]=3 13440 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100009817552_100000047559 [0,2,0,0,0,0|1,0,0]=3 13441 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Br 62a_100009814013_100009817552 [0,2,0,0,0,0|1,0,0]=3 13442 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Br 62a_100009817552_100009814013 [0,2,0,0,0,0|1,0,0]=3 13443 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Cl 62a_100009817552_100011216042 [0,2,0,0,0,0|1,0,0]=3 13444 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Cl 62a_100011216042_100009817552 [0,2,0,0,0,0|1,0,0]=3 13445 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)F 62a_100000750030_100009817552 [0,2,0,0,0,0|1,0,0]=3 13446 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)F 62a_100009817552_100000750030 [0,2,0,0,0,0|1,0,0]=3 13447 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)N 62a_100009817552_100011356925 [0,2,0,0,0,0|1,0,0]=3 13448 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)N 62a_100011356925_100009817552 [0,2,0,0,0,0|1,0,0]=3 13449 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100000755031_100009817552 [0,2,0,0,0,0|1,0,0]=3 13450 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100009817552_100000755031 [0,2,0,0,0,0|1,0,0]=3 13451 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Br 62a_100000743836_100009817552 [0,2,0,0,0,0|1,0,0]=3 13452 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Br 62a_100009817552_100000743836 [0,2,0,0,0,0|1,0,0]=3 13453 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Cl 62a_100000761886_100009817552 [0,2,0,0,0,0|1,0,0]=3 13454 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Cl 62a_100009817552_100000761886 [0,2,0,0,0,0|1,0,0]=3 13455 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)F 62a_100000687223_100009817552 [0,2,0,0,0,0|1,0,0]=3 13456 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)F 62a_100009817552_100000687223 [0,2,0,0,0,0|1,0,0]=3 13457 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)N 62a_100009817552_200012175722 [0,2,0,0,0,0|1,0,0]=3 13458 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)N 62a_200012175722_100009817552 [0,2,0,0,0,0|1,0,0]=3 13459 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100009817552_100011999798 [0,2,0,0,0,0|1,0,0]=3 13460 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100011999798_100009817552 [0,2,0,0,0,0|1,0,0]=3 13461 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Br 62a_100009817552_100012344904 [0,2,0,0,0,0|1,0,0]=3 13462 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Br 62a_100012344904_100009817552 [0,2,0,0,0,0|1,0,0]=3 13463 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Cl 62a_100000050036_100009817552 [0,2,0,0,0,0|1,0,0]=3 13464 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Cl 62a_100009817552_100000050036 [0,2,0,0,0,0|1,0,0]=3 13465 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)F 62a_100000690578_100009817552 [0,2,0,0,0,0|1,0,0]=3 13466 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)F 62a_100009817552_100000690578 [0,2,0,0,0,0|1,0,0]=3 13467 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)O 62a_100009817552_100009813921 [0,2,0,0,0,0|1,0,0]=3 13468 B13R1.164 C[C@@H](O)CSc1ccc(nc1Br)N 62a_100009817552_100010734177 [0,2,0,0,0,0|2,0,0]=4 13469 B13R1.164 C[C@@H](O)CSc1ccc(nc1Br)N 62a_100010734177_100009817552 [0,2,0,0,0,0|2,0,0]=4 13470 B13R1.164 C[C@@H](O)CSc1ccc(nc1Cl)Br 62a_100009817552_100010246183 [0,2,0,0,0,0|2,0,0]=4 13471 B13R1.164 C[C@@H](O)CSc1ccc(nc1Cl)Br 62a_100010246183_100009817552 [0,2,0,0,0,0|2,0,0]=4 13472 B13R1.164 C[C@@H](O)CSc1ccc(nc1Cl)Cl 62a_100009817552_100000043682 [0,2,0,0,0,0|2,0,0]=4 13473 B13R1.164 C[C@@H](O)CSc1ccc(nc1Cl)N 62a_100009817552_100010270343 [0,2,0,0,0,0|2,0,0]=4 13474 B13R1.164 C[C@@H](O)CSc1ccc(nc1Cl)N 62a_100010270343_100009817552 [0,2,0,0,0,0|2,0,0]=4 13475 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)Cl 62a_100009817552_100010168078 [0,2,0,0,0,0|2,0,0]=4 13476 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)Cl 62a_100010168078_100009817552 [0,2,0,0,0,0|2,0,0]=4 13477 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)F 62a_100000070099_100009817552 [0,2,0,0,0,0|2,0,0]=4 13478 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)F 62a_100009817552_100000070099 [0,2,0,0,0,0|2,0,0]=4 13479 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)N 62a_100009817552_100009882772 [0,2,0,0,0,0|2,0,0]=4 13480 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)N 62a_100009882772_100009817552 [0,2,0,0,0,0|2,0,0]=4 13481 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)O 62a_100009817552_100009879308 [0,2,0,0,0,0|2,0,0]=4 13482 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)O 62a_100009879308_100009817552 [0,2,0,0,0,0|2,0,0]=4 13483 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)Cl 62a_100009817552_100010171640 [0,2,0,0,0,0|2,0,0]=4 13484 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)Cl 62a_100010171640_100009817552 [0,2,0,0,0,0|2,0,0]=4 13485 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)F 62a_100009817552_100009854977 [0,2,0,0,0,0|2,0,0]=4 13486 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)F 62a_100009854977_100009817552 [0,2,0,0,0,0|2,0,0]=4 13487 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)N 62a_100011356871_100009817552 [0,2,0,0,0,0|2,0,0]=4 13488 B13R1.164 C[C@@H](O)CSc1cnc(cc1Br)F 62a_100009817552_100015451857 [0,2,0,0,0,0|2,0,0]=4 13489 B13R1.164 C[C@@H](O)CSc1cnc(cc1Br)F 62a_100015451857_100009817552 [0,2,0,0,0,0|2,0,0]=4 13490 B13R1.164 C[C@@H](O)CSc1cnc(cc1Br)N 62a_100009817552_100010074611 [0,2,0,0,0,0|2,0,0]=4 13491 B13R1.164 C[C@@H](O)CSc1cnc(cc1Br)N 62a_100010074611_100009817552 [0,2,0,0,0,0|2,0,0]=4 13492 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)Br 62a_100009817552_100010381092 [0,2,0,0,0,0|2,0,0]=4 13493 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)Br 62a_100010381092_100009817552 [0,2,0,0,0,0|2,0,0]=4 13494 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)Cl 62a_100009817552_100010200927 [0,2,0,0,0,0|2,0,0]=4 13495 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100009817552 [0,2,0,0,0,0|2,0,0]=4 13496 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)N 62a_100000694920_100009817552 [0,2,0,0,0,0|2,0,0]=4 13497 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)N 62a_100009817552_100000694920 [0,2,0,0,0,0|2,0,0]=4 13498 B13R1.164 C[C@@H](O)CSc1cnc(cc1F)Cl 62a_100009817552_100010128100 [0,2,0,0,0,0|2,0,0]=4 13499 B13R1.164 C[C@@H](O)CSc1cnc(cc1F)Cl 62a_100010128100_100009817552 [0,2,0,0,0,0|2,0,0]=4 13500 B13R1.164 C[C@@H](O)CSc1cnc(cc1F)N 62a_100009817552_100009844730 [0,2,0,0,0,0|2,0,0]=4 13501 B13R1.164 C[C@@H](O)CSc1cnc(cc1F)N 62a_100009844730_100009817552 [0,2,0,0,0,0|2,0,0]=4 13502 B13R1.164 C[C@@H](O)CSc1cnc(cc1N)Cl 62a_100009817552_100010209552 [0,2,0,0,0,0|2,0,0]=4 13503 B13R1.164 C[C@@H](O)CSc1cnc(cc1N)Cl 62a_100010209552_100009817552 [0,2,0,0,0,0|2,0,0]=4 13504 B13R1.164 C[C@@H](O)CSc1cnc(cc1N)N 62a_100009817552_200009857908 [0,2,0,0,0,0|2,0,0]=4 13505 B13R1.164 C[C@@H](O)CSc1cnc(cc1N)N 62a_200009857908_100009817552 [0,2,0,0,0,0|2,0,0]=4 13506 B13R1.164 C[C@@H](O)CSc1ncc(cc1Br)Cl 62a_100009817552_100012154958 [0,2,0,0,0,0|2,0,0]=4 13507 B13R1.164 C[C@@H](O)CSc1ncc(cc1Br)Cl 62a_100012154958_100009817552 [0,2,0,0,0,0|2,0,0]=4 13508 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)Br 62a_100009817552_100012348576 [0,2,0,0,0,0|2,0,0]=4 13509 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)Br 62a_100012348576_100009817552 [0,2,0,0,0,0|2,0,0]=4 13510 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)Cl 62a_100009817552_100012348686 [0,2,0,0,0,0|2,0,0]=4 13511 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)Cl 62a_100012348686_100009817552 [0,2,0,0,0,0|2,0,0]=4 13512 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)F 62a_100009817552_100011219543 [0,2,0,0,0,0|2,0,0]=4 13513 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)F 62a_100011219543_100009817552 [0,2,0,0,0,0|2,0,0]=4 13514 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)N 62a_100009817552_100010280766 [0,2,0,0,0,0|2,0,0]=4 13515 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)N 62a_100010280766_100009817552 [0,2,0,0,0,0|2,0,0]=4 13516 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)O 62a_100009817552_100000063512 [0,2,0,0,0,0|2,0,0]=4 13517 B13R1.164 C[C@@H](O)CSc1ncc(cc1N)Br 62a_100009817552_100010090555 [0,2,0,0,0,0|2,0,0]=4 13518 B13R1.164 C[C@@H](O)CSc1ncc(cc1N)Br 62a_100010090555_100009817552 [0,2,0,0,0,0|2,0,0]=4 13519 B13R1.164 C[C@@H](O)CSc1ncc(cc1N)F 62a_100009817552_100009817643 [0,2,0,0,0,0|2,0,0]=4 13520 B13R1.164 C[C@@H](O)CSc1ncc(cc1N)F 62a_100009817643_100009817552 [0,2,0,0,0,0|2,0,0]=4 13521 B13R1.164 C[C@@H](O)CSc1ncc(cc1N)N 62a_100009817552_200000093520 [0,2,0,0,0,0|2,0,0]=4 13522 B13R1.164 C[C@@H](O)CSc1ncc(cc1N)N 62a_200000093520_100009817552 [0,2,0,0,0,0|2,0,0]=4 13523 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)Br 62a_100009817552_100010210634 [0,2,0,0,0,0|2,0,0]=4 13524 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)Br 62a_100010210634_100009817552 [0,2,0,0,0,0|2,0,0]=4 13525 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)Cl 62a_100009817552_100010233512 [0,2,0,0,0,0|2,0,0]=4 13526 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)Cl 62a_100010233512_100009817552 [0,2,0,0,0,0|2,0,0]=4 13527 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)F 62a_100009817552_100000079967 [0,2,0,0,0,0|2,0,0]=4 13528 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)F 62a_100009820119_100009817552 [0,2,0,0,0,0|2,0,0]=4 13529 B13R1.164 Cc1c[n+](ccc1SCC(C)O)[O-] 62a_100011218427_100000074940 [0,2,0,0,0,0|2,0,0]=4 13530 B13R1.164 Cc1c[n+](ccc1SC[C@@H](C)O)[O-] 62a_100009817552_100000074940 [0,2,0,0,0,0|2,0,0]=4 13531 B13R1.164 Cc1cc(=O)c(co1)OCC(C)O 34a_100000081520_100011218427 [0,2,0,0,0,0|2,0,0]=4 13532 B13R1.164 Cc1cc(=O)c(co1)OC[C@@H](C)O 34a_100000081520_100009817552 [0,2,0,0,0,0|2,0,0]=4 13533 B13R1.164 Cc1cc(c(cn1)OCC(C)O)Br 34a_100009843476_100011218427 [0,2,0,0,0,0|2,0,0]=4 13534 B13R1.164 Cc1cc(c(cn1)OCC(C)O)Br 7a_100009843476_100011218427 [0,2,0,0,0,0|2,0,0]=4 13535 B13R1.164 Cc1cc(c(cn1)OCC(C)O)C 34a_200000068632_100011218427 [0,2,0,0,0,0|2,0,0]=4 13536 B13R1.164 Cc1cc(c(cn1)OCC(C)O)C 7a_200000068632_100011218427 [0,2,0,0,0,0|2,0,0]=4 13537 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)Br 34a_100009843476_100009817552 [0,2,0,0,0,0|2,0,0]=4 13538 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)Br 7a_100009843476_100009817552 [0,2,0,0,0,0|2,0,0]=4 13539 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)C 34a_200000068632_100009817552 [0,2,0,0,0,0|2,0,0]=4 13540 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)C 7a_200000068632_100009817552 [0,2,0,0,0,0|2,0,0]=4 13541 B13R1.164 Cc1cc(c(cn1)SCC(C)O)C 62a_100009819613_100011218427 [0,2,0,0,0,0|2,0,0]=4 13542 B13R1.164 Cc1cc(c(cn1)SCC(C)O)C 62a_100011218427_100009819613 [0,2,0,0,0,0|2,0,0]=4 13543 B13R1.164 Cc1cc(c(cn1)SCC(C)O)N 62a_100009817891_100011218427 [0,2,0,0,0,0|2,0,0]=4 13544 B13R1.164 Cc1cc(c(cn1)SCC(C)O)N 62a_100011218427_100009817891 [0,2,0,0,0,0|2,0,0]=4 13545 B13R1.164 Cc1cc(c(cn1)SCC(C)O)O 62a_100011016184_100011218427 [0,2,0,0,0,0|2,0,0]=4 13546 B13R1.164 Cc1cc(c(cn1)SCC(C)O)O 62a_100011218427_100011016184 [0,2,0,0,0,0|2,0,0]=4 13547 B13R1.164 Cc1cc(c(cn1)SC[C@@H](C)O)C 62a_100009817552_100009819613 [0,2,0,0,0,0|2,0,0]=4 13548 B13R1.164 Cc1cc(c(cn1)SC[C@@H](C)O)C 62a_100009819613_100009817552 [0,2,0,0,0,0|2,0,0]=4 13549 B13R1.164 Cc1cc(c(cn1)SC[C@@H](C)O)N 62a_100009817552_100009817891 [0,2,0,0,0,0|2,0,0]=4 13550 B13R1.164 Cc1cc(c(cn1)SC[C@@H](C)O)N 62a_100009817891_100009817552 [0,2,0,0,0,0|2,0,0]=4 13551 B13R1.164 Cc1cc(c(cn1)SC[C@@H](C)O)O 62a_100009817552_100011016184 [0,2,0,0,0,0|2,0,0]=4 13552 B13R1.164 Cc1cc(c(cn1)SC[C@@H](C)O)O 62a_100011016184_100009817552 [0,2,0,0,0,0|2,0,0]=4 13553 B13R1.164 Cc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100000701812 [0,2,0,0,0,0|0,0,2]=4 13554 B13R1.164 Cc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100011219607 [0,2,0,0,0,0|0,0,2]=4 13555 B13R1.164 Cc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100011205405 [0,2,0,0,0,0|0,0,2]=4 13556 B13R1.164 Cc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000210723 [0,2,0,0,0,0|0,0,2]=4 13557 B13R1.164 Cc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100000729255 [0,2,0,0,0,0|0,0,2]=4 13558 B13R1.164 Cc1cc(ccc1CCC(=O)[13CH3])F 1458a_100011615716_200025704644 [0,2,0,0,0,0|0,0,2]=4 13559 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 207a_100138425928_100000687586 [0,2,0,0,0,0|2,0,0]=4 13560 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 2230a_100138425928_100000708836 [0,2,0,0,0,0|2,0,0]=4 13561 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 34a_100000753881_100000210206 [0,2,0,0,0,0|2,0,0]=4 13562 B13R1.164 Cc1cc(ccc1CNC(C)C)Br 34a_100138425928_100000708836 [0,2,0,0,0,0|2,0,0]=4 13563 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 207a_100138425928_100000766358 [0,2,0,0,0,0|2,0,0]=4 13564 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 2230a_100138425928_100012361307 [0,2,0,0,0,0|2,0,0]=4 13565 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 34a_100138425928_100012361307 [0,2,0,0,0,0|2,0,0]=4 13566 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl 34a_103436540063_100000210206 [0,2,0,0,0,0|2,0,0]=4 13567 B13R1.164 Cc1cc(ccc1CNC(C)C)F 207a_100138425928_100000745986 [0,2,0,0,0,0|2,0,0]=4 13568 B13R1.164 Cc1cc(ccc1CNC(C)C)F 2230a_100138425928_100000700533 [0,2,0,0,0,0|2,0,0]=4 13569 B13R1.164 Cc1cc(ccc1CNC(C)C)F 34a_100137329023_100000210206 [0,2,0,0,0,0|2,0,0]=4 13570 B13R1.164 Cc1cc(ccc1CNC(C)C)F 34a_100138425928_100000700533 [0,2,0,0,0,0|2,0,0]=4 13571 B13R1.164 Cc1cc(ccc1COC(C)C)Br 34a_100000212225_100000708836 [0,2,0,0,0,0|2,0,0]=4 13572 B13R1.164 Cc1cc(ccc1COC(C)C)Br 34a_100000748258_100000210206 [0,2,0,0,0,0|2,0,0]=4 13573 B13R1.164 Cc1cc(ccc1COC(C)C)Br 7a_100000748258_100000210206 [0,2,0,0,0,0|2,0,0]=4 13574 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 34a_100000212225_100012361307 [0,2,0,0,0,0|2,0,0]=4 13575 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 34a_100000702939_100000210206 [0,2,0,0,0,0|2,0,0]=4 13576 B13R1.164 Cc1cc(ccc1COC(C)C)Cl 7a_100000702939_100000210206 [0,2,0,0,0,0|2,0,0]=4 13577 B13R1.164 Cc1cc(ccc1COC(C)C)F 34a_100000212225_100000700533 [0,2,0,0,0,0|2,0,0]=4 13578 B13R1.164 Cc1cc(ccc1COC(C)C)F 34a_100000700136_100000210206 [0,2,0,0,0,0|2,0,0]=4 13579 B13R1.164 Cc1cc(ccc1COC(C)C)F 7a_100000700136_100000210206 [0,2,0,0,0,0|2,0,0]=4 13580 B13R1.164 Cc1cc(ccc1COC(C)C)N 34a_100000102464_100000210206 [0,2,0,0,0,0|2,0,0]=4 13581 B13R1.164 Cc1cc(ccc1COC(C)C)N 7a_100000102464_100000210206 [0,2,0,0,0,0|2,0,0]=4 13582 B13R1.164 Cc1cc(ccc1CSC(C)C)Br 62a_100000210206_100000708836 [0,2,0,0,0,0|2,0,0]=4 13583 B13R1.164 Cc1cc(ccc1CSC(C)C)Br 62a_100000708836_100000210206 [0,2,0,0,0,0|2,0,0]=4 13584 B13R1.164 Cc1cc(ccc1CSC(C)C)Cl 62a_100000210206_100012361307 [0,2,0,0,0,0|2,0,0]=4 13585 B13R1.164 Cc1cc(ccc1CSC(C)C)Cl 62a_100012361307_100000210206 [0,2,0,0,0,0|2,0,0]=4 13586 B13R1.164 Cc1cc(ccc1CSC(C)C)F 62a_100000210206_100000700533 [0,2,0,0,0,0|2,0,0]=4 13587 B13R1.164 Cc1cc(ccc1CSC(C)C)F 62a_100000700533_100000210206 [0,2,0,0,0,0|2,0,0]=4 13588 B13R1.164 Cc1cc(ccc1NCC(C)C)Br 34a_100000211769_100000210624 [0,2,0,0,0,0|2,0,0]=4 13589 B13R1.164 Cc1cc(ccc1NCC(C)C)Br 7a_100000211769_100000210760 [0,2,0,0,0,0|2,0,0]=4 13590 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 34a_100000210418_100000210624 [0,2,0,0,0,0|2,0,0]=4 13591 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 7a_100000210418_100000210760 [0,2,0,0,0,0|2,0,0]=4 13592 B13R1.164 Cc1cc(ccc1NCC(C)C)F 34a_100000211637_100000210624 [0,2,0,0,0,0|2,0,0]=4 13593 B13R1.164 Cc1cc(ccc1NCC(C)C)F 7a_100000211637_100000210760 [0,2,0,0,0,0|2,0,0]=4 13594 B13R1.164 Cc1cc(ccc1NCC(C)C)I 34a_100000184554_100000210624 [0,2,0,0,0,0|2,0,0]=4 13595 B13R1.164 Cc1cc(ccc1NCC(C)C)I 7a_100000184554_100000210760 [0,2,0,0,0,0|2,0,0]=4 13596 B13R1.164 Cc1cc(ccc1NCC(C)C)O 34a_100000756630_100000210624 [0,2,0,0,0,0|2,0,0]=4 13597 B13R1.164 Cc1cc(ccc1NCC(C)O)Br 34a_100000211769_100011218427 [0,2,0,0,0,0|1,0,0]=3 13598 B13R1.164 Cc1cc(ccc1NCC(C)O)Br 7a_100000211769_100011218427 [0,2,0,0,0,0|1,0,0]=3 13599 B13R1.164 Cc1cc(ccc1NCC(C)O)Cl 34a_100000210418_100011218427 [0,2,0,0,0,0|1,0,0]=3 13600 B13R1.164 Cc1cc(ccc1NCC(C)O)Cl 7a_100000210418_100011218427 [0,2,0,0,0,0|1,0,0]=3 13601 B13R1.164 Cc1cc(ccc1NCC(C)O)F 34a_100000211637_100011218427 [0,2,0,0,0,0|1,0,0]=3 13602 B13R1.164 Cc1cc(ccc1NCC(C)O)F 7a_100000211637_100011218427 [0,2,0,0,0,0|1,0,0]=3 13603 B13R1.164 Cc1cc(ccc1NCC(C)O)I 34a_100000184554_100011218427 [0,2,0,0,0,0|1,0,0]=3 13604 B13R1.164 Cc1cc(ccc1NCC(C)O)I 7a_100000184554_100011218427 [0,2,0,0,0,0|1,0,0]=3 13605 B13R1.164 Cc1cc(ccc1NCC(C)O)O 34a_100000756630_100011218427 [0,2,0,0,0,0|1,0,0]=3 13606 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Br 34a_100000211769_100009817552 [0,2,0,0,0,0|1,0,0]=3 13607 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Br 7a_100000211769_100009817552 [0,2,0,0,0,0|1,0,0]=3 13608 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Cl 34a_100000210418_100009817552 [0,2,0,0,0,0|1,0,0]=3 13609 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Cl 7a_100000210418_100009817552 [0,2,0,0,0,0|1,0,0]=3 13610 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)F 34a_100000211637_100009817552 [0,2,0,0,0,0|1,0,0]=3 13611 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)F 7a_100000211637_100009817552 [0,2,0,0,0,0|1,0,0]=3 13612 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)I 34a_100000184554_100009817552 [0,2,0,0,0,0|1,0,0]=3 13613 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)I 7a_100000184554_100009817552 [0,2,0,0,0,0|1,0,0]=3 13614 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)O 34a_100000756630_100009817552 [0,2,0,0,0,0|1,0,0]=3 13615 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 34a_100000186361_100000210624 [0,2,0,0,0,0|2,0,0]=4 13616 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 7a_100000186361_100000210760 [0,2,0,0,0,0|2,0,0]=4 13617 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 34a_100000211091_100000210624 [0,2,0,0,0,0|2,0,0]=4 13618 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 7a_100000211091_100000210760 [0,2,0,0,0,0|2,0,0]=4 13619 B13R1.164 Cc1cc(ccc1OCC(C)C)F 34a_100000764316_100000210624 [0,2,0,0,0,0|2,0,0]=4 13620 B13R1.164 Cc1cc(ccc1OCC(C)C)F 7a_100000764316_100000210760 [0,2,0,0,0,0|2,0,0]=4 13621 B13R1.164 Cc1cc(ccc1OCC(C)C)I 34a_100011218673_100000210624 [0,2,0,0,0,0|2,0,0]=4 13622 B13R1.164 Cc1cc(ccc1OCC(C)C)I 7a_100011218673_100000210760 [0,2,0,0,0,0|2,0,0]=4 13623 B13R1.164 Cc1cc(ccc1OCC(C)C)N 34a_100011218179_100000210624 [0,2,0,0,0,0|2,0,0]=4 13624 B13R1.164 Cc1cc(ccc1OCC(C)C)N 7a_100011218179_100000210760 [0,2,0,0,0,0|2,0,0]=4 13625 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 34a_100000186361_100011218427 [0,2,0,0,0,0|1,0,0]=3 13626 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 7a_100000186361_100011218427 [0,2,0,0,0,0|1,0,0]=3 13627 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 34a_100000211091_100011218427 [0,2,0,0,0,0|1,0,0]=3 13628 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 7a_100000211091_100011218427 [0,2,0,0,0,0|1,0,0]=3 13629 B13R1.164 Cc1cc(ccc1OCC(C)O)F 34a_100000764316_100011218427 [0,2,0,0,0,0|1,0,0]=3 13630 B13R1.164 Cc1cc(ccc1OCC(C)O)F 7a_100000764316_100011218427 [0,2,0,0,0,0|1,0,0]=3 13631 B13R1.164 Cc1cc(ccc1OCC(C)O)I 34a_100011218673_100011218427 [0,2,0,0,0,0|1,0,0]=3 13632 B13R1.164 Cc1cc(ccc1OCC(C)O)I 7a_100011218673_100011218427 [0,2,0,0,0,0|1,0,0]=3 13633 B13R1.164 Cc1cc(ccc1OCC(C)O)N 34a_100011218179_100011218427 [0,2,0,0,0,0|1,0,0]=3 13634 B13R1.164 Cc1cc(ccc1OCC(C)O)N 7a_100011218179_100011218427 [0,2,0,0,0,0|1,0,0]=3 13635 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 34a_100000186361_100009817552 [0,2,0,0,0,0|1,0,0]=3 13636 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 7a_100000186361_100009817552 [0,2,0,0,0,0|1,0,0]=3 13637 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 34a_100000211091_100009817552 [0,2,0,0,0,0|1,0,0]=3 13638 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 7a_100000211091_100009817552 [0,2,0,0,0,0|1,0,0]=3 13639 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 34a_100000764316_100009817552 [0,2,0,0,0,0|1,0,0]=3 13640 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 7a_100000764316_100009817552 [0,2,0,0,0,0|1,0,0]=3 13641 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 34a_100011218673_100009817552 [0,2,0,0,0,0|1,0,0]=3 13642 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 7a_100011218673_100009817552 [0,2,0,0,0,0|1,0,0]=3 13643 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 34a_100011218179_100009817552 [0,2,0,0,0,0|1,0,0]=3 13644 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 7a_100011218179_100009817552 [0,2,0,0,0,0|1,0,0]=3 13645 B13R1.164 Cc1cc(ccc1SCC(C)C)Br 62a_100000210624_100000701812 [0,2,0,0,0,0|2,0,0]=4 13646 B13R1.164 Cc1cc(ccc1SCC(C)C)Br 62a_100000701812_100000210760 [0,2,0,0,0,0|2,0,0]=4 13647 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100000210624_100011219607 [0,2,0,0,0,0|2,0,0]=4 13648 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100011219607_100000210760 [0,2,0,0,0,0|2,0,0]=4 13649 B13R1.164 Cc1cc(ccc1SCC(C)C)F 62a_100000210624_100011205405 [0,2,0,0,0,0|2,0,0]=4 13650 B13R1.164 Cc1cc(ccc1SCC(C)C)F 62a_100011205405_100000210760 [0,2,0,0,0,0|2,0,0]=4 13651 B13R1.164 Cc1cc(ccc1SCC(C)C)N 62a_100000210624_100000210723 [0,2,0,0,0,0|2,0,0]=4 13652 B13R1.164 Cc1cc(ccc1SCC(C)C)N 62a_100000210723_100000210760 [0,2,0,0,0,0|2,0,0]=4 13653 B13R1.164 Cc1cc(ccc1SCC(C)C)O 62a_100000210624_100000690111 [0,2,0,0,0,0|2,0,0]=4 13654 B13R1.164 Cc1cc(ccc1SCC(C)O)Br 62a_100000701812_100011218427 [0,2,0,0,0,0|1,0,0]=3 13655 B13R1.164 Cc1cc(ccc1SCC(C)O)Br 62a_100011218427_100000701812 [0,2,0,0,0,0|1,0,0]=3 13656 B13R1.164 Cc1cc(ccc1SCC(C)O)Cl 62a_100011218427_100011219607 [0,2,0,0,0,0|1,0,0]=3 13657 B13R1.164 Cc1cc(ccc1SCC(C)O)Cl 62a_100011219607_100011218427 [0,2,0,0,0,0|1,0,0]=3 13658 B13R1.164 Cc1cc(ccc1SCC(C)O)F 62a_100011205405_100011218427 [0,2,0,0,0,0|1,0,0]=3 13659 B13R1.164 Cc1cc(ccc1SCC(C)O)F 62a_100011218427_100011205405 [0,2,0,0,0,0|1,0,0]=3 13660 B13R1.164 Cc1cc(ccc1SCC(C)O)N 62a_100000210723_100011218427 [0,2,0,0,0,0|1,0,0]=3 13661 B13R1.164 Cc1cc(ccc1SCC(C)O)N 62a_100011218427_100000210723 [0,2,0,0,0,0|1,0,0]=3 13662 B13R1.164 Cc1cc(ccc1SCC(C)O)O 62a_100011218427_100000690111 [0,2,0,0,0,0|1,0,0]=3 13663 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Br 62a_100000701812_100009817552 [0,2,0,0,0,0|1,0,0]=3 13664 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Br 62a_100009817552_100000701812 [0,2,0,0,0,0|1,0,0]=3 13665 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100011219607 [0,2,0,0,0,0|1,0,0]=3 13666 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Cl 62a_100011219607_100009817552 [0,2,0,0,0,0|1,0,0]=3 13667 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)F 62a_100009817552_100011205405 [0,2,0,0,0,0|1,0,0]=3 13668 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)F 62a_100011205405_100009817552 [0,2,0,0,0,0|1,0,0]=3 13669 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)N 62a_100000210723_100009817552 [0,2,0,0,0,0|1,0,0]=3 13670 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)N 62a_100009817552_100000210723 [0,2,0,0,0,0|1,0,0]=3 13671 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)O 62a_100009817552_100000690111 [0,2,0,0,0,0|1,0,0]=3 13672 B13R1.164 Cc1cc(cnc1OCC(C)O)Br 34a_100000685391_100011218427 [0,2,0,0,0,0|2,0,0]=4 13673 B13R1.164 Cc1cc(cnc1OC[C@@H](C)O)Br 34a_100000685391_100009817552 [0,2,0,0,0,0|2,0,0]=4 13674 B13R1.164 Cc1cc(cnc1SCC(C)O)Br 62a_100011218427_100012353652 [0,2,0,0,0,0|2,0,0]=4 13675 B13R1.164 Cc1cc(cnc1SCC(C)O)Br 62a_100012353652_100011218427 [0,2,0,0,0,0|2,0,0]=4 13676 B13R1.164 Cc1cc(cnc1SCC(C)O)F 62a_100009817009_100011218427 [0,2,0,0,0,0|2,0,0]=4 13677 B13R1.164 Cc1cc(cnc1SCC(C)O)F 62a_100011218427_100009817009 [0,2,0,0,0,0|2,0,0]=4 13678 B13R1.164 Cc1cc(cnc1SCC(C)O)N 62a_100000761747_100011218427 [0,2,0,0,0,0|2,0,0]=4 13679 B13R1.164 Cc1cc(cnc1SCC(C)O)N 62a_100011218427_100000761747 [0,2,0,0,0,0|2,0,0]=4 13680 B13R1.164 Cc1cc(cnc1SCC(C)O)O 62a_100011218427_100012000486 [0,2,0,0,0,0|2,0,0]=4 13681 B13R1.164 Cc1cc(cnc1SCC(C)O)O 62a_100012000486_100011218427 [0,2,0,0,0,0|2,0,0]=4 13682 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)Br 62a_100009817552_100012353652 [0,2,0,0,0,0|2,0,0]=4 13683 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)Br 62a_100012353652_100009817552 [0,2,0,0,0,0|2,0,0]=4 13684 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)F 62a_100009817009_100009817552 [0,2,0,0,0,0|2,0,0]=4 13685 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)F 62a_100009817552_100009817009 [0,2,0,0,0,0|2,0,0]=4 13686 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)N 62a_100000761747_100009817552 [0,2,0,0,0,0|2,0,0]=4 13687 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)N 62a_100009817552_100000761747 [0,2,0,0,0,0|2,0,0]=4 13688 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)O 62a_100009817552_100012000486 [0,2,0,0,0,0|2,0,0]=4 13689 B13R1.164 Cc1cc(cnc1SC[C@@H](C)O)O 62a_100012000486_100009817552 [0,2,0,0,0,0|2,0,0]=4 13690 B13R1.164 Cc1cc(ncc1OCC(C)O)Cl 34a_100000692680_100011218427 [0,2,0,0,0,0|2,0,0]=4 13691 B13R1.164 Cc1cc(ncc1OCC(C)O)Cl 7a_100000692680_100011218427 [0,2,0,0,0,0|2,0,0]=4 13692 B13R1.164 Cc1cc(ncc1OCC(C)O)F 34a_100009856773_100011218427 [0,2,0,0,0,0|2,0,0]=4 13693 B13R1.164 Cc1cc(ncc1OCC(C)O)F 7a_100009856773_100011218427 [0,2,0,0,0,0|2,0,0]=4 13694 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)Cl 34a_100000692680_100009817552 [0,2,0,0,0,0|2,0,0]=4 13695 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)Cl 7a_100000692680_100009817552 [0,2,0,0,0,0|2,0,0]=4 13696 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)F 34a_100009856773_100009817552 [0,2,0,0,0,0|2,0,0]=4 13697 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)F 7a_100009856773_100009817552 [0,2,0,0,0,0|2,0,0]=4 13698 B13R1.164 Cc1cc(ncc1SCC(C)O)Br 62a_100009816104_100011218427 [0,2,0,0,0,0|2,0,0]=4 13699 B13R1.164 Cc1cc(ncc1SCC(C)O)Br 62a_100011218427_100009816104 [0,2,0,0,0,0|2,0,0]=4 13700 B13R1.164 Cc1cc(ncc1SCC(C)O)Cl 62a_100010172789_100011218427 [0,2,0,0,0,0|2,0,0]=4 13701 B13R1.164 Cc1cc(ncc1SCC(C)O)Cl 62a_100011218427_100010172789 [0,2,0,0,0,0|2,0,0]=4 13702 B13R1.164 Cc1cc(ncc1SCC(C)O)F 62a_100009820716_100011218427 [0,2,0,0,0,0|2,0,0]=4 13703 B13R1.164 Cc1cc(ncc1SCC(C)O)F 62a_100011218427_100009820716 [0,2,0,0,0,0|2,0,0]=4 13704 B13R1.164 Cc1cc(ncc1SCC(C)O)N 62a_100000050067_100011218427 [0,2,0,0,0,0|2,0,0]=4 13705 B13R1.164 Cc1cc(ncc1SCC(C)O)N 62a_100011218427_100000050067 [0,2,0,0,0,0|2,0,0]=4 13706 B13R1.164 Cc1cc(ncc1SCC(C)O)O 62a_100000766222_100011218427 [0,2,0,0,0,0|2,0,0]=4 13707 B13R1.164 Cc1cc(ncc1SCC(C)O)O 62a_100011218427_100000766222 [0,2,0,0,0,0|2,0,0]=4 13708 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)Br 62a_100009816104_100009817552 [0,2,0,0,0,0|2,0,0]=4 13709 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)Br 62a_100009817552_100009816104 [0,2,0,0,0,0|2,0,0]=4 13710 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)Cl 62a_100009817552_100010172789 [0,2,0,0,0,0|2,0,0]=4 13711 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)Cl 62a_100010172789_100009817552 [0,2,0,0,0,0|2,0,0]=4 13712 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)F 62a_100009817552_100009820716 [0,2,0,0,0,0|2,0,0]=4 13713 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)F 62a_100009820716_100009817552 [0,2,0,0,0,0|2,0,0]=4 13714 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)N 62a_100000050067_100009817552 [0,2,0,0,0,0|2,0,0]=4 13715 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)N 62a_100009817552_100000050067 [0,2,0,0,0,0|2,0,0]=4 13716 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)O 62a_100000766222_100009817552 [0,2,0,0,0,0|2,0,0]=4 13717 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)O 62a_100009817552_100000766222 [0,2,0,0,0,0|2,0,0]=4 13718 B13R1.164 Cc1ccc([n+](c1)[O-])SCC(C)O 62a_100011218427_100009819918 [0,2,0,0,0,0|2,0,0]=4 13719 B13R1.164 Cc1ccc([n+](c1)[O-])SC[C@@H](C)O 62a_100009817552_100009819918 [0,2,0,0,0,0|2,0,0]=4 13720 B13R1.164 Cc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100009813563 [0,2,0,0,0,0|0,0,2]=4 13721 B13R1.164 Cc1ccc(c(c1)Br)CNC(C)C 207a_100138425928_100000692596 [0,2,0,0,0,0|2,0,0]=4 13722 B13R1.164 Cc1ccc(c(c1)Br)NCC(C)C 34a_100000210942_100000210624 [0,2,0,0,0,0|2,0,0]=4 13723 B13R1.164 Cc1ccc(c(c1)Br)NCC(C)O 34a_100000210942_100011218427 [0,2,0,0,0,0|1,0,0]=3 13724 B13R1.164 Cc1ccc(c(c1)Br)NC[C@@H](C)O 34a_100000210942_100009817552 [0,2,0,0,0,0|1,0,0]=3 13725 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)C 34a_100000210800_100000210624 [0,2,0,0,0,0|2,0,0]=4 13726 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)C 7a_100000210800_100000210760 [0,2,0,0,0,0|2,0,0]=4 13727 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)O 34a_100000210800_100011218427 [0,2,0,0,0,0|1,0,0]=3 13728 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)O 7a_100000210800_100011218427 [0,2,0,0,0,0|1,0,0]=3 13729 B13R1.164 Cc1ccc(c(c1)Br)OC[C@@H](C)O 34a_100000210800_100009817552 [0,2,0,0,0,0|1,0,0]=3 13730 B13R1.164 Cc1ccc(c(c1)Br)OC[C@@H](C)O 7a_100000210800_100009817552 [0,2,0,0,0,0|1,0,0]=3 13731 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)C 62a_100000210624_100009813563 [0,2,0,0,0,0|2,0,0]=4 13732 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)C 62a_100009813563_100000210760 [0,2,0,0,0,0|2,0,0]=4 13733 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)O 62a_100009813563_100011218427 [0,2,0,0,0,0|1,0,0]=3 13734 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)O 62a_100011218427_100009813563 [0,2,0,0,0,0|1,0,0]=3 13735 B13R1.164 Cc1ccc(c(c1)Br)SC[C@@H](C)O 62a_100009813563_100009817552 [0,2,0,0,0,0|1,0,0]=3 13736 B13R1.164 Cc1ccc(c(c1)Br)SC[C@@H](C)O 62a_100009817552_100009813563 [0,2,0,0,0,0|1,0,0]=3 13737 B13R1.164 Cc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100011217332 [0,2,0,0,0,0|0,0,2]=4 13738 B13R1.164 Cc1ccc(c(c1)C)CCC(=O)[13CH3] 1458a_100000239910_200025704644 [0,2,0,0,0,0|0,0,2]=4 13739 B13R1.164 Cc1ccc(c(c1)C)CCN(C)C 270004a_100102631434_100011754701 [0,2,0,0,0,0|2,0,0]=4 13740 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 207a_100138425928_100000211342 [0,2,0,0,0,0|2,0,0]=4 13741 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 2230a_100138425928_100011219618 [0,2,0,0,0,0|2,0,0]=4 13742 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 34a_100000737523_100000210206 [0,2,0,0,0,0|2,0,0]=4 13743 B13R1.164 Cc1ccc(c(c1)C)CNC(C)C 34a_100138425928_100011219618 [0,2,0,0,0,0|2,0,0]=4 13744 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 34a_100000212225_100011219618 [0,2,0,0,0,0|2,0,0]=4 13745 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 34a_100011215341_100000210206 [0,2,0,0,0,0|2,0,0]=4 13746 B13R1.164 Cc1ccc(c(c1)C)COC(C)C 7a_100011215341_100000210206 [0,2,0,0,0,0|2,0,0]=4 13747 B13R1.164 Cc1ccc(c(c1)C)CSC(C)C 62a_100000210206_100011219618 [0,2,0,0,0,0|2,0,0]=4 13748 B13R1.164 Cc1ccc(c(c1)C)CSC(C)C 62a_100011219618_100000210206 [0,2,0,0,0,0|2,0,0]=4 13749 B13R1.164 Cc1ccc(c(c1)C)NCC(C)C 34a_100000736561_100000210624 [0,2,0,0,0,0|2,0,0]=4 13750 B13R1.164 Cc1ccc(c(c1)C)NCC(C)C 7a_100000736561_100000210760 [0,2,0,0,0,0|2,0,0]=4 13751 B13R1.164 Cc1ccc(c(c1)C)NCC(C)O 34a_100000736561_100011218427 [0,2,0,0,0,0|1,0,0]=3 13752 B13R1.164 Cc1ccc(c(c1)C)NCC(C)O 7a_100000736561_100011218427 [0,2,0,0,0,0|1,0,0]=3 13753 B13R1.164 Cc1ccc(c(c1)C)NC[C@@H](C)O 34a_100000736561_100009817552 [0,2,0,0,0,0|1,0,0]=3 13754 B13R1.164 Cc1ccc(c(c1)C)NC[C@@H](C)O 7a_100000736561_100009817552 [0,2,0,0,0,0|1,0,0]=3 13755 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 34a_100000211776_100000210624 [0,2,0,0,0,0|2,0,0]=4 13756 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 7a_100000211776_100000210760 [0,2,0,0,0,0|2,0,0]=4 13757 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 34a_100000211776_100011218427 [0,2,0,0,0,0|1,0,0]=3 13758 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 7a_100000211776_100011218427 [0,2,0,0,0,0|1,0,0]=3 13759 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 34a_100000211776_100009817552 [0,2,0,0,0,0|1,0,0]=3 13760 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 7a_100000211776_100009817552 [0,2,0,0,0,0|1,0,0]=3 13761 B13R1.164 Cc1ccc(c(c1)C)SCC(C)C 62a_100000210624_100011217332 [0,2,0,0,0,0|2,0,0]=4 13762 B13R1.164 Cc1ccc(c(c1)C)SCC(C)C 62a_100011217332_100000210760 [0,2,0,0,0,0|2,0,0]=4 13763 B13R1.164 Cc1ccc(c(c1)C)SCC(C)O 62a_100011217332_100011218427 [0,2,0,0,0,0|1,0,0]=3 13764 B13R1.164 Cc1ccc(c(c1)C)SCC(C)O 62a_100011218427_100011217332 [0,2,0,0,0,0|1,0,0]=3 13765 B13R1.164 Cc1ccc(c(c1)C)SC[C@@H](C)O 62a_100009817552_100011217332 [0,2,0,0,0,0|1,0,0]=3 13766 B13R1.164 Cc1ccc(c(c1)C)SC[C@@H](C)O 62a_100011217332_100009817552 [0,2,0,0,0,0|1,0,0]=3 13767 B13R1.164 Cc1ccc(c(c1)Cl)C=CC(C)O 271570a_200011019289_100011263221 [0,2,0,0,0,0|0,0,2]=4 13768 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 207a_100138425928_100011935181 [0,2,0,0,0,0|2,0,0]=4 13769 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 2230a_100138425928_100012349684 [0,2,0,0,0,0|2,0,0]=4 13770 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 34a_100011997539_100000210206 [0,2,0,0,0,0|2,0,0]=4 13771 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 34a_100138425928_100012349684 [0,2,0,0,0,0|2,0,0]=4 13772 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 34a_100000212225_100012349684 [0,2,0,0,0,0|2,0,0]=4 13773 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 34a_100000720314_100000210206 [0,2,0,0,0,0|2,0,0]=4 13774 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 7a_100000720314_100000210206 [0,2,0,0,0,0|2,0,0]=4 13775 B13R1.164 Cc1ccc(c(c1)Cl)CSC(C)C 62a_100000210206_100012349684 [0,2,0,0,0,0|2,0,0]=4 13776 B13R1.164 Cc1ccc(c(c1)Cl)CSC(C)C 62a_100012349684_100000210206 [0,2,0,0,0,0|2,0,0]=4 13777 B13R1.164 Cc1ccc(c(c1)Cl)NCC(C)C 34a_100000210522_100000210624 [0,2,0,0,0,0|2,0,0]=4 13778 B13R1.164 Cc1ccc(c(c1)Cl)NCC(C)O 34a_100000210522_100011218427 [0,2,0,0,0,0|1,0,0]=3 13779 B13R1.164 Cc1ccc(c(c1)Cl)NC[C@@H](C)O 34a_100000210522_100009817552 [0,2,0,0,0,0|1,0,0]=3 13780 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 34a_100000749699_100000210624 [0,2,0,0,0,0|2,0,0]=4 13781 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 7a_100000749699_100000210760 [0,2,0,0,0,0|2,0,0]=4 13782 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 34a_100000749699_100011218427 [0,2,0,0,0,0|1,0,0]=3 13783 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 7a_100000749699_100011218427 [0,2,0,0,0,0|1,0,0]=3 13784 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 34a_100000749699_100009817552 [0,2,0,0,0,0|1,0,0]=3 13785 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 7a_100000749699_100009817552 [0,2,0,0,0,0|1,0,0]=3 13786 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)C 62a_100000210624_100011263221 [0,2,0,0,0,0|2,0,0]=4 13787 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)C 62a_100011263221_100000210760 [0,2,0,0,0,0|2,0,0]=4 13788 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)O 62a_100011218427_100011263221 [0,2,0,0,0,0|1,0,0]=3 13789 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)O 62a_100011263221_100011218427 [0,2,0,0,0,0|1,0,0]=3 13790 B13R1.164 Cc1ccc(c(c1)Cl)SC[C@@H](C)O 62a_100009817552_100011263221 [0,2,0,0,0,0|1,0,0]=3 13791 B13R1.164 Cc1ccc(c(c1)Cl)SC[C@@H](C)O 62a_100011263221_100009817552 [0,2,0,0,0,0|1,0,0]=3 13792 B13R1.164 Cc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100011216119 [0,2,0,0,0,0|0,0,2]=4 13793 B13R1.164 Cc1ccc(c(c1)F)CCC(=O)[13CH3] 1458a_100000061718_200025704644 [0,2,0,0,0,0|0,0,2]=4 13794 B13R1.164 Cc1ccc(c(c1)F)CNC(C)C 207a_100138425928_100011217368 [0,2,0,0,0,0|2,0,0]=4 13795 B13R1.164 Cc1ccc(c(c1)F)CNC(C)C 2230a_100138425928_100011217900 [0,2,0,0,0,0|2,0,0]=4 13796 B13R1.164 Cc1ccc(c(c1)F)CNC(C)C 34a_100102887089_100000210206 [0,2,0,0,0,0|2,0,0]=4 13797 B13R1.164 Cc1ccc(c(c1)F)CNC(C)C 34a_100138425928_100012002367 [0,2,0,0,0,0|2,0,0]=4 13798 B13R1.164 Cc1ccc(c(c1)F)COC(C)C 34a_100000212225_100012002367 [0,2,0,0,0,0|2,0,0]=4 13799 B13R1.164 Cc1ccc(c(c1)F)COC(C)C 34a_100011216587_100000210206 [0,2,0,0,0,0|2,0,0]=4 13800 B13R1.164 Cc1ccc(c(c1)F)COC(C)C 7a_100011216587_100000210206 [0,2,0,0,0,0|2,0,0]=4 13801 B13R1.164 Cc1ccc(c(c1)F)CSC(C)C 62a_100000210206_100011217900 [0,2,0,0,0,0|2,0,0]=4 13802 B13R1.164 Cc1ccc(c(c1)F)CSC(C)C 62a_100011217900_100000210206 [0,2,0,0,0,0|2,0,0]=4 13803 B13R1.164 Cc1ccc(c(c1)F)NCC(C)C 34a_100000211023_100000210624 [0,2,0,0,0,0|2,0,0]=4 13804 B13R1.164 Cc1ccc(c(c1)F)NCC(C)O 34a_100000211023_100011218427 [0,2,0,0,0,0|1,0,0]=3 13805 B13R1.164 Cc1ccc(c(c1)F)NC[C@@H](C)O 34a_100000211023_100009817552 [0,2,0,0,0,0|1,0,0]=3 13806 B13R1.164 Cc1ccc(c(c1)F)OCC(C)C 34a_100011216688_100000210624 [0,2,0,0,0,0|2,0,0]=4 13807 B13R1.164 Cc1ccc(c(c1)F)OCC(C)C 7a_100011216688_100000210760 [0,2,0,0,0,0|2,0,0]=4 13808 B13R1.164 Cc1ccc(c(c1)F)OCC(C)O 34a_100011216688_100011218427 [0,2,0,0,0,0|1,0,0]=3 13809 B13R1.164 Cc1ccc(c(c1)F)OCC(C)O 7a_100011216688_100011218427 [0,2,0,0,0,0|1,0,0]=3 13810 B13R1.164 Cc1ccc(c(c1)F)OC[C@@H](C)O 34a_100011216688_100009817552 [0,2,0,0,0,0|1,0,0]=3 13811 B13R1.164 Cc1ccc(c(c1)F)OC[C@@H](C)O 7a_100011216688_100009817552 [0,2,0,0,0,0|1,0,0]=3 13812 B13R1.164 Cc1ccc(c(c1)F)SCC(C)C 62a_100000210624_100011216119 [0,2,0,0,0,0|2,0,0]=4 13813 B13R1.164 Cc1ccc(c(c1)F)SCC(C)C 62a_100011216119_100000210760 [0,2,0,0,0,0|2,0,0]=4 13814 B13R1.164 Cc1ccc(c(c1)F)SCC(C)O 62a_100011216119_100011218427 [0,2,0,0,0,0|1,0,0]=3 13815 B13R1.164 Cc1ccc(c(c1)F)SCC(C)O 62a_100011218427_100011216119 [0,2,0,0,0,0|1,0,0]=3 13816 B13R1.164 Cc1ccc(c(c1)F)SC[C@@H](C)O 62a_100009817552_100011216119 [0,2,0,0,0,0|1,0,0]=3 13817 B13R1.164 Cc1ccc(c(c1)F)SC[C@@H](C)O 62a_100011216119_100009817552 [0,2,0,0,0,0|1,0,0]=3 13818 B13R1.164 Cc1ccc(c(c1)I)CNC(C)C 207a_100138425928_100010150104 [0,2,0,0,0,0|2,0,0]=4 13819 B13R1.164 Cc1ccc(c(c1)I)NCC(C)C 34a_100011356834_100000210624 [0,2,0,0,0,0|2,0,0]=4 13820 B13R1.164 Cc1ccc(c(c1)I)NCC(C)O 34a_100011356834_100011218427 [0,2,0,0,0,0|1,0,0]=3 13821 B13R1.164 Cc1ccc(c(c1)I)NC[C@@H](C)O 34a_100011356834_100009817552 [0,2,0,0,0,0|1,0,0]=3 13822 B13R1.164 Cc1ccc(c(c1)I)OCC(C)C 34a_100000765521_100000210624 [0,2,0,0,0,0|2,0,0]=4 13823 B13R1.164 Cc1ccc(c(c1)I)OCC(C)C 7a_100000765521_100000210760 [0,2,0,0,0,0|2,0,0]=4 13824 B13R1.164 Cc1ccc(c(c1)I)OCC(C)O 34a_100000765521_100011218427 [0,2,0,0,0,0|1,0,0]=3 13825 B13R1.164 Cc1ccc(c(c1)I)OCC(C)O 7a_100000765521_100011218427 [0,2,0,0,0,0|1,0,0]=3 13826 B13R1.164 Cc1ccc(c(c1)I)OC[C@@H](C)O 34a_100000765521_100009817552 [0,2,0,0,0,0|1,0,0]=3 13827 B13R1.164 Cc1ccc(c(c1)I)OC[C@@H](C)O 7a_100000765521_100009817552 [0,2,0,0,0,0|1,0,0]=3 13828 B13R1.164 Cc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100011216686 [0,2,0,0,0,0|0,0,2]=4 13829 B13R1.164 Cc1ccc(c(c1)N)COC(C)C 34a_100000087799_100000210206 [0,2,0,0,0,0|2,0,0]=4 13830 B13R1.164 Cc1ccc(c(c1)N)COC(C)C 7a_100000087799_100000210206 [0,2,0,0,0,0|2,0,0]=4 13831 B13R1.164 Cc1ccc(c(c1)N)OCC(C)C 34a_100011215204_100000210624 [0,2,0,0,0,0|2,0,0]=4 13832 B13R1.164 Cc1ccc(c(c1)N)OCC(C)C 7a_100011215204_100000210760 [0,2,0,0,0,0|2,0,0]=4 13833 B13R1.164 Cc1ccc(c(c1)N)OCC(C)O 34a_100011215204_100011218427 [0,2,0,0,0,0|1,0,0]=3 13834 B13R1.164 Cc1ccc(c(c1)N)OCC(C)O 7a_100011215204_100011218427 [0,2,0,0,0,0|1,0,0]=3 13835 B13R1.164 Cc1ccc(c(c1)N)OC[C@@H](C)O 34a_100011215204_100009817552 [0,2,0,0,0,0|1,0,0]=3 13836 B13R1.164 Cc1ccc(c(c1)N)OC[C@@H](C)O 7a_100011215204_100009817552 [0,2,0,0,0,0|1,0,0]=3 13837 B13R1.164 Cc1ccc(c(c1)N)SCC(C)C 62a_100000210624_100011216686 [0,2,0,0,0,0|2,0,0]=4 13838 B13R1.164 Cc1ccc(c(c1)N)SCC(C)C 62a_100011216686_100000210760 [0,2,0,0,0,0|2,0,0]=4 13839 B13R1.164 Cc1ccc(c(c1)N)SCC(C)O 62a_100011216686_100011218427 [0,2,0,0,0,0|1,0,0]=3 13840 B13R1.164 Cc1ccc(c(c1)N)SCC(C)O 62a_100011218427_100011216686 [0,2,0,0,0,0|1,0,0]=3 13841 B13R1.164 Cc1ccc(c(c1)N)SC[C@@H](C)O 62a_100009817552_100011216686 [0,2,0,0,0,0|1,0,0]=3 13842 B13R1.164 Cc1ccc(c(c1)N)SC[C@@H](C)O 62a_100011216686_100009817552 [0,2,0,0,0,0|1,0,0]=3 13843 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100012002257 [0,2,0,0,0,0|0,0,2]=4 13844 B13R1.164 Cc1ccc(c(c1)O)NCC(C)C 34a_100000211527_100000210624 [0,2,0,0,0,0|2,0,0]=4 13845 B13R1.164 Cc1ccc(c(c1)O)NCC(C)O 34a_100000211527_100011218427 [0,2,0,0,0,0|1,0,0]=3 13846 B13R1.164 Cc1ccc(c(c1)O)NC[C@@H](C)O 34a_100000211527_100009817552 [0,2,0,0,0,0|1,0,0]=3 13847 B13R1.164 Cc1ccc(c(c1)O)SCC(C)C 62a_100000210624_100012002257 [0,2,0,0,0,0|2,0,0]=4 13848 B13R1.164 Cc1ccc(c(c1)O)SCC(C)C 62a_100012002257_100000210760 [0,2,0,0,0,0|2,0,0]=4 13849 B13R1.164 Cc1ccc(c(c1)O)SCC(C)O 62a_100011218427_100012002257 [0,2,0,0,0,0|1,0,0]=3 13850 B13R1.164 Cc1ccc(c(c1)O)SCC(C)O 62a_100012002257_100011218427 [0,2,0,0,0,0|1,0,0]=3 13851 B13R1.164 Cc1ccc(c(c1)O)SC[C@@H](C)O 62a_100009817552_100012002257 [0,2,0,0,0,0|1,0,0]=3 13852 B13R1.164 Cc1ccc(c(c1)O)SC[C@@H](C)O 62a_100012002257_100009817552 [0,2,0,0,0,0|1,0,0]=3 13853 B13R1.164 Cc1ccc(c(n1)Br)OCC(C)O 34a_100000702858_100011218427 [0,2,0,0,0,0|2,0,0]=4 13854 B13R1.164 Cc1ccc(c(n1)Br)OCC(C)O 7a_100000702858_100011218427 [0,2,0,0,0,0|2,0,0]=4 13855 B13R1.164 Cc1ccc(c(n1)Br)OC[C@@H](C)O 34a_100000702858_100009817552 [0,2,0,0,0,0|2,0,0]=4 13856 B13R1.164 Cc1ccc(c(n1)Br)OC[C@@H](C)O 7a_100000702858_100009817552 [0,2,0,0,0,0|2,0,0]=4 13857 B13R1.164 Cc1ccc(c(n1)C)OCC(C)O 34a_100011218912_100011218427 [0,2,0,0,0,0|2,0,0]=4 13858 B13R1.164 Cc1ccc(c(n1)C)OCC(C)O 7a_100011218912_100011218427 [0,2,0,0,0,0|2,0,0]=4 13859 B13R1.164 Cc1ccc(c(n1)C)OC[C@@H](C)O 34a_100011218912_100009817552 [0,2,0,0,0,0|2,0,0]=4 13860 B13R1.164 Cc1ccc(c(n1)C)OC[C@@H](C)O 7a_100011218912_100009817552 [0,2,0,0,0,0|2,0,0]=4 13861 B13R1.164 Cc1ccc(c(n1)C)SCC(C)O 62a_100009813853_100011218427 [0,2,0,0,0,0|2,0,0]=4 13862 B13R1.164 Cc1ccc(c(n1)C)SCC(C)O 62a_100011218427_100009813853 [0,2,0,0,0,0|2,0,0]=4 13863 B13R1.164 Cc1ccc(c(n1)C)SC[C@@H](C)O 62a_100009813853_100009817552 [0,2,0,0,0,0|2,0,0]=4 13864 B13R1.164 Cc1ccc(c(n1)C)SC[C@@H](C)O 62a_100009817552_100009813853 [0,2,0,0,0,0|2,0,0]=4 13865 B13R1.164 Cc1ccc(c(n1)Cl)OCC(C)O 34a_100000086286_100011218427 [0,2,0,0,0,0|2,0,0]=4 13866 B13R1.164 Cc1ccc(c(n1)Cl)OCC(C)O 7a_100000086286_100011218427 [0,2,0,0,0,0|2,0,0]=4 13867 B13R1.164 Cc1ccc(c(n1)Cl)OC[C@@H](C)O 34a_100000086286_100009817552 [0,2,0,0,0,0|2,0,0]=4 13868 B13R1.164 Cc1ccc(c(n1)Cl)OC[C@@H](C)O 7a_100000086286_100009817552 [0,2,0,0,0,0|2,0,0]=4 13869 B13R1.164 Cc1ccc(c(n1)F)OCC(C)O 34a_100000079963_100011218427 [0,2,0,0,0,0|2,0,0]=4 13870 B13R1.164 Cc1ccc(c(n1)F)OCC(C)O 7a_100000079963_100011218427 [0,2,0,0,0,0|2,0,0]=4 13871 B13R1.164 Cc1ccc(c(n1)F)OC[C@@H](C)O 34a_100000079963_100009817552 [0,2,0,0,0,0|2,0,0]=4 13872 B13R1.164 Cc1ccc(c(n1)F)OC[C@@H](C)O 7a_100000079963_100009817552 [0,2,0,0,0,0|2,0,0]=4 13873 B13R1.164 Cc1ccc(c(n1)F)SCC(C)O 62a_100010006597_100011218427 [0,2,0,0,0,0|2,0,0]=4 13874 B13R1.164 Cc1ccc(c(n1)F)SCC(C)O 62a_100011218427_100010006597 [0,2,0,0,0,0|2,0,0]=4 13875 B13R1.164 Cc1ccc(c(n1)F)SC[C@@H](C)O 62a_100009817552_100010006597 [0,2,0,0,0,0|2,0,0]=4 13876 B13R1.164 Cc1ccc(c(n1)F)SC[C@@H](C)O 62a_100010006597_100009817552 [0,2,0,0,0,0|2,0,0]=4 13877 B13R1.164 Cc1ccc(c(n1)I)OCC(C)O 34a_100000023897_100011218427 [0,2,0,0,0,0|2,0,0]=4 13878 B13R1.164 Cc1ccc(c(n1)I)OCC(C)O 7a_100000023897_100011218427 [0,2,0,0,0,0|2,0,0]=4 13879 B13R1.164 Cc1ccc(c(n1)I)OC[C@@H](C)O 34a_100000023897_100009817552 [0,2,0,0,0,0|2,0,0]=4 13880 B13R1.164 Cc1ccc(c(n1)I)OC[C@@H](C)O 7a_100000023897_100009817552 [0,2,0,0,0,0|2,0,0]=4 13881 B13R1.164 Cc1ccc(c(n1)N)OCC(C)O 34a_100000694039_100011218427 [0,2,0,0,0,0|2,0,0]=4 13882 B13R1.164 Cc1ccc(c(n1)N)OCC(C)O 7a_100000694039_100011218427 [0,2,0,0,0,0|2,0,0]=4 13883 B13R1.164 Cc1ccc(c(n1)N)OC[C@@H](C)O 34a_100000694039_100009817552 [0,2,0,0,0,0|2,0,0]=4 13884 B13R1.164 Cc1ccc(c(n1)N)OC[C@@H](C)O 7a_100000694039_100009817552 [0,2,0,0,0,0|2,0,0]=4 13885 B13R1.164 Cc1ccc(c(n1)N)SCC(C)O 62a_100009816662_100011218427 [0,2,0,0,0,0|2,0,0]=4 13886 B13R1.164 Cc1ccc(c(n1)N)SCC(C)O 62a_100011218427_100009816662 [0,2,0,0,0,0|2,0,0]=4 13887 B13R1.164 Cc1ccc(c(n1)N)SC[C@@H](C)O 62a_100009816662_100009817552 [0,2,0,0,0,0|2,0,0]=4 13888 B13R1.164 Cc1ccc(c(n1)N)SC[C@@H](C)O 62a_100009817552_100009816662 [0,2,0,0,0,0|2,0,0]=4 13889 B13R1.164 Cc1ccc(c(n1)O)SCC(C)O 62a_100009817604_100011218427 [0,2,0,0,0,0|2,0,0]=4 13890 B13R1.164 Cc1ccc(c(n1)O)SCC(C)O 62a_100011218427_100009817604 [0,2,0,0,0,0|2,0,0]=4 13891 B13R1.164 Cc1ccc(c(n1)O)SC[C@@H](C)O 62a_100009817552_100009817604 [0,2,0,0,0,0|2,0,0]=4 13892 B13R1.164 Cc1ccc(c(n1)O)SC[C@@H](C)O 62a_100009817604_100009817552 [0,2,0,0,0,0|2,0,0]=4 13893 B13R1.164 Cc1cnc(c(c1)Br)OCC(C)O 34a_100000719714_100011218427 [0,2,0,0,0,0|2,0,0]=4 13894 B13R1.164 Cc1cnc(c(c1)Br)OC[C@@H](C)O 34a_100000719714_100009817552 [0,2,0,0,0,0|2,0,0]=4 13895 B13R1.164 Cc1cnc(c(c1)C)SCC(C)O 62a_100009864548_100011218427 [0,2,0,0,0,0|2,0,0]=4 13896 B13R1.164 Cc1cnc(c(c1)C)SCC(C)O 62a_100011218427_100009864548 [0,2,0,0,0,0|2,0,0]=4 13897 B13R1.164 Cc1cnc(c(c1)C)SC[C@@H](C)O 62a_100009817552_100009864548 [0,2,0,0,0,0|2,0,0]=4 13898 B13R1.164 Cc1cnc(c(c1)C)SC[C@@H](C)O 62a_100009864548_100009817552 [0,2,0,0,0,0|2,0,0]=4 13899 B13R1.164 Cc1cnc(c(c1)F)SCC(C)O 62a_100009819633_100011218427 [0,2,0,0,0,0|2,0,0]=4 13900 B13R1.164 Cc1cnc(c(c1)F)SCC(C)O 62a_100011218427_100009819633 [0,2,0,0,0,0|2,0,0]=4 13901 B13R1.164 Cc1cnc(c(c1)F)SC[C@@H](C)O 62a_100009817552_100009819633 [0,2,0,0,0,0|2,0,0]=4 13902 B13R1.164 Cc1cnc(c(c1)F)SC[C@@H](C)O 62a_100009819633_100009817552 [0,2,0,0,0,0|2,0,0]=4 13903 B13R1.164 Cc1cnc(c(c1)N)OCC(C)O 34a_100012000488_100011218427 [0,2,0,0,0,0|2,0,0]=4 13904 B13R1.164 Cc1cnc(c(c1)N)OC[C@@H](C)O 34a_100012000488_100009817552 [0,2,0,0,0,0|2,0,0]=4 13905 B13R1.164 Cc1cnc(c(c1)N)SCC(C)O 62a_100000733613_100011218427 [0,2,0,0,0,0|2,0,0]=4 13906 B13R1.164 Cc1cnc(c(c1)N)SCC(C)O 62a_100011218427_100000733613 [0,2,0,0,0,0|2,0,0]=4 13907 B13R1.164 Cc1cnc(c(c1)N)SC[C@@H](C)O 62a_100000733613_100009817552 [0,2,0,0,0,0|2,0,0]=4 13908 B13R1.164 Cc1cnc(c(c1)N)SC[C@@H](C)O 62a_100009817552_100000733613 [0,2,0,0,0,0|2,0,0]=4 13909 B13R1.164 Cc1cnc(c(c1)O)SCC(C)O 62a_100011218427_100012000487 [0,2,0,0,0,0|2,0,0]=4 13910 B13R1.164 Cc1cnc(c(c1)O)SC[C@@H](C)O 62a_100009817552_100012000487 [0,2,0,0,0,0|2,0,0]=4 13911 B13R1.164 Cc1nc(ccc1OCC(C)O)Br 34a_100012002022_100011218427 [0,2,0,0,0,0|2,0,0]=4 13912 B13R1.164 Cc1nc(ccc1OCC(C)O)Br 7a_100012002022_100011218427 [0,2,0,0,0,0|2,0,0]=4 13913 B13R1.164 Cc1nc(ccc1OCC(C)O)Cl 34a_100012184626_100011218427 [0,2,0,0,0,0|2,0,0]=4 13914 B13R1.164 Cc1nc(ccc1OCC(C)O)Cl 7a_100012184626_100011218427 [0,2,0,0,0,0|2,0,0]=4 13915 B13R1.164 Cc1nc(ccc1OCC(C)O)F 34a_100009881036_100011218427 [0,2,0,0,0,0|2,0,0]=4 13916 B13R1.164 Cc1nc(ccc1OCC(C)O)F 7a_100009881036_100011218427 [0,2,0,0,0,0|2,0,0]=4 13917 B13R1.164 Cc1nc(ccc1OCC(C)O)I 34a_100010233687_100011218427 [0,2,0,0,0,0|2,0,0]=4 13918 B13R1.164 Cc1nc(ccc1OCC(C)O)I 7a_100010233687_100011218427 [0,2,0,0,0,0|2,0,0]=4 13919 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Br 34a_100012002022_100009817552 [0,2,0,0,0,0|2,0,0]=4 13920 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Br 7a_100012002022_100009817552 [0,2,0,0,0,0|2,0,0]=4 13921 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Cl 34a_100012184626_100009817552 [0,2,0,0,0,0|2,0,0]=4 13922 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Cl 7a_100012184626_100009817552 [0,2,0,0,0,0|2,0,0]=4 13923 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)F 34a_100009881036_100009817552 [0,2,0,0,0,0|2,0,0]=4 13924 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)F 7a_100009881036_100009817552 [0,2,0,0,0,0|2,0,0]=4 13925 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)I 34a_100010233687_100009817552 [0,2,0,0,0,0|2,0,0]=4 13926 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)I 7a_100010233687_100009817552 [0,2,0,0,0,0|2,0,0]=4 13927 B13R1.164 Cc1nc(ccc1SCC(C)O)Cl 62a_100000062408_100011218427 [0,2,0,0,0,0|2,0,0]=4 13928 B13R1.164 Cc1nc(ccc1SCC(C)O)Cl 62a_100011218427_100000062408 [0,2,0,0,0,0|2,0,0]=4 13929 B13R1.164 Cc1nc(ccc1SCC(C)O)F 62a_100000688911_100011218427 [0,2,0,0,0,0|2,0,0]=4 13930 B13R1.164 Cc1nc(ccc1SCC(C)O)F 62a_100011218427_100000688911 [0,2,0,0,0,0|2,0,0]=4 13931 B13R1.164 Cc1nc(ccc1SCC(C)O)N 62a_100000187202_100011218427 [0,2,0,0,0,0|2,0,0]=4 13932 B13R1.164 Cc1nc(ccc1SCC(C)O)N 62a_100011218427_100000187202 [0,2,0,0,0,0|2,0,0]=4 13933 B13R1.164 Cc1nc(ccc1SCC(C)O)O 62a_100000691680_100011218427 [0,2,0,0,0,0|2,0,0]=4 13934 B13R1.164 Cc1nc(ccc1SCC(C)O)O 62a_100011218427_100000691680 [0,2,0,0,0,0|2,0,0]=4 13935 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)Cl 62a_100000062408_100009817552 [0,2,0,0,0,0|2,0,0]=4 13936 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100000062408 [0,2,0,0,0,0|2,0,0]=4 13937 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)F 62a_100000688911_100009817552 [0,2,0,0,0,0|2,0,0]=4 13938 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)F 62a_100009817552_100000688911 [0,2,0,0,0,0|2,0,0]=4 13939 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)N 62a_100000187202_100009817552 [0,2,0,0,0,0|2,0,0]=4 13940 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)N 62a_100009817552_100000187202 [0,2,0,0,0,0|2,0,0]=4 13941 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)O 62a_100000691680_100009817552 [0,2,0,0,0,0|2,0,0]=4 13942 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)O 62a_100009817552_100000691680 [0,2,0,0,0,0|2,0,0]=4 13943 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200025704644 [0,2,0,0,0,0|0,0,2]=4 13944 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200025704644 [0,2,0,0,0,0|0,0,2]=4 13945 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200025704644 [0,2,0,0,0,0|0,0,2]=4 13946 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200025704644 [0,2,0,0,0,0|0,0,2]=4 13947 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200025704644 [0,2,0,0,0,0|0,0,2]=4 13948 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200025704644 [0,2,0,0,0,0|0,0,2]=4 13949 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)F 1458a_100000691965_200025704644 [0,2,0,0,0,0|0,0,2]=4 13950 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,2,0,0,0,0|0,0,2]=4 13951 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [0,2,0,0,0,0|0,0,2]=4 13952 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [0,2,0,0,0,0|0,0,2]=4 13953 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [0,2,0,0,0,0|0,0,2]=4 13954 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [0,2,0,0,0,0|0,0,2]=4 13955 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200000210301 [0,2,0,0,0,0|0,0,2]=4 13956 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000070787_100011713676 [0,2,0,0,0,0|0,0,2]=4 13957 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200000210301 [0,2,0,0,0,0|0,0,2]=4 13958 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100000070787_100012361305 [0,2,0,0,0,0|0,0,2]=4 13959 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200000210301 [0,2,0,0,0,0|0,0,2]=4 13960 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200000210301 [0,2,0,0,0,0|0,0,2]=4 13961 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [0,2,0,0,0,0|0,0,2]=4 13962 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200000210301 [0,2,0,0,0,0|0,0,2]=4 13963 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000070787_100000690553 [0,2,0,0,0,0|0,0,2]=4 13964 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200000210301 [0,2,0,0,0,0|0,0,2]=4 13965 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,2,0,0,0,0|0,0,2]=4 13966 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,2,0,0,0,0|0,0,2]=4 13967 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210760 [0,2,0,0,0,0|2,0,0]=4 13968 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000210624 [0,2,0,0,0,0|2,0,0]=4 13969 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000210760 [0,2,0,0,0,0|2,0,0]=4 13970 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210760 [0,2,0,0,0,0|2,0,0]=4 13971 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210624 [0,2,0,0,0,0|2,0,0]=4 13972 B13R1.511 CC(C)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000210760 [0,2,0,0,0,0|2,0,0]=4 13973 B13R1.511 CC(C)CNc1ccc(c(c1)Br)F 34a_100000760356_100000210624 [0,2,0,0,0,0|2,0,0]=4 13974 B13R1.511 CC(C)CNc1ccc(c(c1)Br)F 7a_100000760356_100000210760 [0,2,0,0,0,0|2,0,0]=4 13975 B13R1.511 CC(C)CNc1ccc(c(c1)Br)I 34a_100000750458_100000210624 [0,2,0,0,0,0|2,0,0]=4 13976 B13R1.511 CC(C)CNc1ccc(c(c1)Br)O 34a_100011534360_100000210624 [0,2,0,0,0,0|2,0,0]=4 13977 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210760 [0,2,0,0,0,0|2,0,0]=4 13978 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000210624 [0,2,0,0,0,0|2,0,0]=4 13979 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210760 [0,2,0,0,0,0|2,0,0]=4 13980 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210760 [0,2,0,0,0,0|2,0,0]=4 13981 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210624 [0,2,0,0,0,0|2,0,0]=4 13982 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210760 [0,2,0,0,0,0|2,0,0]=4 13983 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000210624 [0,2,0,0,0,0|2,0,0]=4 13984 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000210760 [0,2,0,0,0,0|2,0,0]=4 13985 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000210624 [0,2,0,0,0,0|2,0,0]=4 13986 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000210624 [0,2,0,0,0,0|2,0,0]=4 13987 B13R1.511 CC(C)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000210760 [0,2,0,0,0,0|2,0,0]=4 13988 B13R1.511 CC(C)CNc1ccc(c(c1)F)Br 34a_100000759894_100000210624 [0,2,0,0,0,0|2,0,0]=4 13989 B13R1.511 CC(C)CNc1ccc(c(c1)F)Br 7a_100000759894_100000210760 [0,2,0,0,0,0|2,0,0]=4 13990 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210760 [0,2,0,0,0,0|2,0,0]=4 13991 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000210624 [0,2,0,0,0,0|2,0,0]=4 13992 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000210760 [0,2,0,0,0,0|2,0,0]=4 13993 B13R1.511 CC(C)CNc1ccc(c(c1)F)F 2230a_100000210724_100000210760 [0,2,0,0,0,0|2,0,0]=4 13994 B13R1.511 CC(C)CNc1ccc(c(c1)F)F 34a_100000210724_100000210624 [0,2,0,0,0,0|2,0,0]=4 13995 B13R1.511 CC(C)CNc1ccc(c(c1)F)F 7a_100000210724_100000210760 [0,2,0,0,0,0|2,0,0]=4 13996 B13R1.511 CC(C)CNc1ccc(c(c1)F)I 34a_100011356925_100000210624 [0,2,0,0,0,0|2,0,0]=4 13997 B13R1.511 CC(C)CNc1ccc(c(c1)F)I 7a_100011356925_100000210760 [0,2,0,0,0,0|2,0,0]=4 13998 B13R1.511 CC(C)CNc1ccc(c(c1)F)O 34a_100011220035_100000210624 [0,2,0,0,0,0|2,0,0]=4 13999 B13R1.511 CC(C)CNc1ccc(c(c1)F)O 7a_100011220035_100000210760 [0,2,0,0,0,0|2,0,0]=4 14000 B13R1.511 CC(C)CNc1ccc(c(c1)I)Br 34a_100000750459_100000210624 [0,2,0,0,0,0|2,0,0]=4 14001 B13R1.511 CC(C)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000210624 [0,2,0,0,0,0|2,0,0]=4 14002 B13R1.511 CC(C)CNc1ccc(c(c1)I)F 34a_114828291077_100000210624 [0,2,0,0,0,0|2,0,0]=4 14003 B13R1.511 CC(C)CNc1ccc(c(c1)I)F 7a_114828291077_100000210760 [0,2,0,0,0,0|2,0,0]=4 14004 B13R1.511 CC(C)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000210624 [0,2,0,0,0,0|2,0,0]=4 14005 B13R1.511 CC(C)CNc1ccc(c(c1)O)F 34a_100012017398_100000210624 [0,2,0,0,0,0|2,0,0]=4 14006 B13R1.511 CC(C)CNc1ccc(c(c1)O)F 7a_100012017398_100000210760 [0,2,0,0,0,0|2,0,0]=4 14007 B13R1.511 CC(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000210624 [0,2,0,0,0,0|2,0,0]=4 14008 B13R1.511 CC(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000210624 [0,2,0,0,0,0|2,0,0]=4 14009 B13R1.511 CC(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000210760 [0,2,0,0,0,0|2,0,0]=4 14010 B13R1.511 CC(C)COc1ccc(c(c1)Br)F 34a_100000693481_100000210624 [0,2,0,0,0,0|2,0,0]=4 14011 B13R1.511 CC(C)COc1ccc(c(c1)Br)F 7a_100000693481_100000210760 [0,2,0,0,0,0|2,0,0]=4 14012 B13R1.511 CC(C)COc1ccc(c(c1)Br)I 34a_100000701344_100000210624 [0,2,0,0,0,0|2,0,0]=4 14013 B13R1.511 CC(C)COc1ccc(c(c1)Br)I 7a_100000701344_100000210760 [0,2,0,0,0,0|2,0,0]=4 14014 B13R1.511 CC(C)COc1ccc(c(c1)Br)N 34a_100012001276_100000210624 [0,2,0,0,0,0|2,0,0]=4 14015 B13R1.511 CC(C)COc1ccc(c(c1)Br)N 7a_100012001276_100000210760 [0,2,0,0,0,0|2,0,0]=4 14016 B13R1.511 CC(C)COc1ccc(c(c1)Br)O 271570a_203496583355_201991077984 [0,2,0,0,0,0|2,0,0]=4 14017 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000210624 [0,2,0,0,0,0|2,0,0]=4 14018 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000210760 [0,2,0,0,0,0|2,0,0]=4 14019 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210624 [0,2,0,0,0,0|2,0,0]=4 14020 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210760 [0,2,0,0,0,0|2,0,0]=4 14021 B13R1.511 CC(C)COc1ccc(c(c1)Cl)F 34a_100000211030_100000210624 [0,2,0,0,0,0|2,0,0]=4 14022 B13R1.511 CC(C)COc1ccc(c(c1)Cl)F 7a_100000211030_100000210760 [0,2,0,0,0,0|2,0,0]=4 14023 B13R1.511 CC(C)COc1ccc(c(c1)Cl)I 34a_100000047559_100000210624 [0,2,0,0,0,0|2,0,0]=4 14024 B13R1.511 CC(C)COc1ccc(c(c1)Cl)I 7a_100000047559_100000210760 [0,2,0,0,0,0|2,0,0]=4 14025 B13R1.511 CC(C)COc1ccc(c(c1)Cl)N 34a_100011215599_100000210624 [0,2,0,0,0,0|2,0,0]=4 14026 B13R1.511 CC(C)COc1ccc(c(c1)Cl)N 7a_100011215599_100000210760 [0,2,0,0,0,0|2,0,0]=4 14027 B13R1.511 CC(C)COc1ccc(c(c1)F)Br 34a_100000755031_100000210624 [0,2,0,0,0,0|2,0,0]=4 14028 B13R1.511 CC(C)COc1ccc(c(c1)F)Br 7a_100000755031_100000210760 [0,2,0,0,0,0|2,0,0]=4 14029 B13R1.511 CC(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100000210624 [0,2,0,0,0,0|2,0,0]=4 14030 B13R1.511 CC(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100000210760 [0,2,0,0,0,0|2,0,0]=4 14031 B13R1.511 CC(C)COc1ccc(c(c1)F)F 34a_100000181275_100000210624 [0,2,0,0,0,0|2,0,0]=4 14032 B13R1.511 CC(C)COc1ccc(c(c1)F)F 7a_100000181275_100000210760 [0,2,0,0,0,0|2,0,0]=4 14033 B13R1.511 CC(C)COc1ccc(c(c1)F)I 34a_100009990212_100000210624 [0,2,0,0,0,0|2,0,0]=4 14034 B13R1.511 CC(C)COc1ccc(c(c1)F)I 7a_100009990212_100000210760 [0,2,0,0,0,0|2,0,0]=4 14035 B13R1.511 CC(C)COc1ccc(c(c1)F)N 34a_100000759473_100000210624 [0,2,0,0,0,0|2,0,0]=4 14036 B13R1.511 CC(C)COc1ccc(c(c1)F)N 7a_100000759473_100000210760 [0,2,0,0,0,0|2,0,0]=4 14037 B13R1.511 CC(C)COc1ccc(c(c1)I)Br 34a_100012339312_100000210624 [0,2,0,0,0,0|2,0,0]=4 14038 B13R1.511 CC(C)COc1ccc(c(c1)I)Br 7a_100012339312_100000210760 [0,2,0,0,0,0|2,0,0]=4 14039 B13R1.511 CC(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000210624 [0,2,0,0,0,0|2,0,0]=4 14040 B13R1.511 CC(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100000210760 [0,2,0,0,0,0|2,0,0]=4 14041 B13R1.511 CC(C)COc1ccc(c(c1)I)N 34a_100010084370_100000210624 [0,2,0,0,0,0|2,0,0]=4 14042 B13R1.511 CC(C)COc1ccc(c(c1)I)N 7a_100010084370_100000210760 [0,2,0,0,0,0|2,0,0]=4 14043 B13R1.511 CC(C)COc1ccc(c(c1)N)Br 34a_100011999798_100000210624 [0,2,0,0,0,0|2,0,0]=4 14044 B13R1.511 CC(C)COc1ccc(c(c1)N)Br 7a_100011999798_100000210760 [0,2,0,0,0,0|2,0,0]=4 14045 B13R1.511 CC(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100000210624 [0,2,0,0,0,0|2,0,0]=4 14046 B13R1.511 CC(C)COc1ccc(c(c1)N)F 34a_100012017239_100000210624 [0,2,0,0,0,0|2,0,0]=4 14047 B13R1.511 CC(C)COc1ccc(c(c1)N)F 7a_100012017239_100000210760 [0,2,0,0,0,0|2,0,0]=4 14048 B13R1.511 CC(C)COc1ccc(c(c1)N)N 34a_100025771000_100000210624 [0,2,0,0,0,0|2,0,0]=4 14049 B13R1.511 CC(C)CSc1ccc(c(c1)Br)Br 62a_100000210624_100012356285 [0,2,0,0,0,0|2,0,0]=4 14050 B13R1.511 CC(C)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000210760 [0,2,0,0,0,0|2,0,0]=4 14051 B13R1.511 CC(C)CSc1ccc(c(c1)Br)Cl 62a_100000210624_100012353702 [0,2,0,0,0,0|2,0,0]=4 14052 B13R1.511 CC(C)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210760 [0,2,0,0,0,0|2,0,0]=4 14053 B13R1.511 CC(C)CSc1ccc(c(c1)Br)F 62a_100000210624_100012047266 [0,2,0,0,0,0|2,0,0]=4 14054 B13R1.511 CC(C)CSc1ccc(c(c1)Br)F 62a_100012047266_100000210760 [0,2,0,0,0,0|2,0,0]=4 14055 B13R1.511 CC(C)CSc1ccc(c(c1)Br)N 62a_100000210624_100000750455 [0,2,0,0,0,0|2,0,0]=4 14056 B13R1.511 CC(C)CSc1ccc(c(c1)Br)N 62a_100000750455_100000210760 [0,2,0,0,0,0|2,0,0]=4 14057 B13R1.511 CC(C)CSc1ccc(c(c1)Br)O 62a_100000210624_100012361655 [0,2,0,0,0,0|2,0,0]=4 14058 B13R1.511 CC(C)CSc1ccc(c(c1)Br)O 62a_100012361655_100000210760 [0,2,0,0,0,0|2,0,0]=4 14059 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)Br 62a_100000210624_100012047281 [0,2,0,0,0,0|2,0,0]=4 14060 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210760 [0,2,0,0,0,0|2,0,0]=4 14061 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)Cl 62a_100000210624_100011214914 [0,2,0,0,0,0|2,0,0]=4 14062 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210760 [0,2,0,0,0,0|2,0,0]=4 14063 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)F 62a_100000210624_100011215976 [0,2,0,0,0,0|2,0,0]=4 14064 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000210760 [0,2,0,0,0,0|2,0,0]=4 14065 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)N 62a_100000210624_100011218065 [0,2,0,0,0,0|2,0,0]=4 14066 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000210760 [0,2,0,0,0,0|2,0,0]=4 14067 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)O 62a_100000210624_100012360047 [0,2,0,0,0,0|2,0,0]=4 14068 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000210760 [0,2,0,0,0,0|2,0,0]=4 14069 B13R1.511 CC(C)CSc1ccc(c(c1)F)Br 62a_100000210624_100000685389 [0,2,0,0,0,0|2,0,0]=4 14070 B13R1.511 CC(C)CSc1ccc(c(c1)F)Br 62a_100000685389_100000210760 [0,2,0,0,0,0|2,0,0]=4 14071 B13R1.511 CC(C)CSc1ccc(c(c1)F)Cl 62a_100000210624_100011216805 [0,2,0,0,0,0|2,0,0]=4 14072 B13R1.511 CC(C)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000210760 [0,2,0,0,0,0|2,0,0]=4 14073 B13R1.511 CC(C)CSc1ccc(c(c1)F)F 62a_100000210624_100000703953 [0,2,0,0,0,0|2,0,0]=4 14074 B13R1.511 CC(C)CSc1ccc(c(c1)F)F 62a_100000703953_100000210760 [0,2,0,0,0,0|2,0,0]=4 14075 B13R1.511 CC(C)CSc1ccc(c(c1)F)N 62a_100000210624_100011215594 [0,2,0,0,0,0|2,0,0]=4 14076 B13R1.511 CC(C)CSc1ccc(c(c1)F)N 62a_100011215594_100000210760 [0,2,0,0,0,0|2,0,0]=4 14077 B13R1.511 CC(C)CSc1ccc(c(c1)F)O 62a_100000185481_100000210760 [0,2,0,0,0,0|2,0,0]=4 14078 B13R1.511 CC(C)CSc1ccc(c(c1)F)O 62a_100000210624_100000185481 [0,2,0,0,0,0|2,0,0]=4 14079 B13R1.511 CC(C)CSc1ccc(c(c1)N)Br 62a_100000210624_100000750456 [0,2,0,0,0,0|2,0,0]=4 14080 B13R1.511 CC(C)CSc1ccc(c(c1)N)Br 62a_100000750456_100000210760 [0,2,0,0,0,0|2,0,0]=4 14081 B13R1.511 CC(C)CSc1ccc(c(c1)N)Cl 62a_100000210624_200000761891 [0,2,0,0,0,0|2,0,0]=4 14082 B13R1.511 CC(C)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000210760 [0,2,0,0,0,0|2,0,0]=4 14083 B13R1.511 CC(C)CSc1ccc(c(c1)N)F 62a_100000210624_100000740924 [0,2,0,0,0,0|2,0,0]=4 14084 B13R1.511 CC(C)CSc1ccc(c(c1)N)F 62a_100000740924_100000210760 [0,2,0,0,0,0|2,0,0]=4 14085 B13R1.511 CC(C)CSc1ccc(c(c1)N)N 62a_100000210624_100011534411 [0,2,0,0,0,0|2,0,0]=4 14086 B13R1.511 CC(C)CSc1ccc(c(c1)N)N 62a_100000741789_100000210760 [0,2,0,0,0,0|2,0,0]=4 14087 B13R1.511 CC(C)CSc1ccc(c(c1)N)O 62a_100000210624_100000752626 [0,2,0,0,0,0|2,0,0]=4 14088 B13R1.511 CC(C)CSc1ccc(c(c1)N)O 62a_100000752626_100000210760 [0,2,0,0,0,0|2,0,0]=4 14089 B13R1.511 CC(C)CSc1ccc(c(c1)O)Br 62a_100000210624_100012356990 [0,2,0,0,0,0|2,0,0]=4 14090 B13R1.511 CC(C)CSc1ccc(c(c1)O)Br 62a_100012356990_100000210760 [0,2,0,0,0,0|2,0,0]=4 14091 B13R1.511 CC(C)CSc1ccc(c(c1)O)Cl 62a_100000210624_100011356854 [0,2,0,0,0,0|2,0,0]=4 14092 B13R1.511 CC(C)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000210760 [0,2,0,0,0,0|2,0,0]=4 14093 B13R1.511 CC(C)CSc1ccc(c(c1)O)F 62a_100000210624_100000686035 [0,2,0,0,0,0|2,0,0]=4 14094 B13R1.511 CC(C)CSc1ccc(c(c1)O)F 62a_100000686035_100000210760 [0,2,0,0,0,0|2,0,0]=4 14095 B13R1.511 CC(C)CSc1ccc(c(c1)O)N 62a_100000210624_100000739049 [0,2,0,0,0,0|2,0,0]=4 14096 B13R1.511 CC(C)CSc1ccc(c(c1)O)N 62a_100000739049_100000210760 [0,2,0,0,0,0|2,0,0]=4 14097 B13R1.511 CC(C)CSc1ccc(c(c1)O)O 62a_100000210624_100009813601 [0,2,0,0,0,0|2,0,0]=4 14098 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 207a_100138425928_100011215943 [0,2,0,0,0,0|2,0,0]=4 14099 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 2230a_100012351559_100000210206 [0,2,0,0,0,0|2,0,0]=4 14100 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 2230a_100138425928_100012353900 [0,2,0,0,0,0|2,0,0]=4 14101 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 34a_100012351559_100000210206 [0,2,0,0,0,0|2,0,0]=4 14102 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Br 34a_100138425928_100012353900 [0,2,0,0,0,0|2,0,0]=4 14103 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 207a_100138425928_100000693810 [0,2,0,0,0,0|2,0,0]=4 14104 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210206 [0,2,0,0,0,0|2,0,0]=4 14105 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 2230a_100138425928_100012353894 [0,2,0,0,0,0|2,0,0]=4 14106 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210206 [0,2,0,0,0,0|2,0,0]=4 14107 B13R1.511 CC(C)NCc1ccc(c(c1)Br)Cl 34a_100138425928_100012353894 [0,2,0,0,0,0|2,0,0]=4 14108 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 207a_100138425928_100000211747 [0,2,0,0,0,0|2,0,0]=4 14109 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 2230a_100015193890_100000210206 [0,2,0,0,0,0|2,0,0]=4 14110 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 2230a_100138425928_100011206884 [0,2,0,0,0,0|2,0,0]=4 14111 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 34a_100015193890_100000210206 [0,2,0,0,0,0|2,0,0]=4 14112 B13R1.511 CC(C)NCc1ccc(c(c1)Br)F 34a_100138425928_100011206884 [0,2,0,0,0,0|2,0,0]=4 14113 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 207a_100138425928_100000690054 [0,2,0,0,0,0|2,0,0]=4 14114 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000210206 [0,2,0,0,0,0|2,0,0]=4 14115 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 2230a_100138425928_100012353895 [0,2,0,0,0,0|2,0,0]=4 14116 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 34a_100012362553_100000210206 [0,2,0,0,0,0|2,0,0]=4 14117 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Br 34a_100138425928_100012353895 [0,2,0,0,0,0|2,0,0]=4 14118 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 207a_100138425928_100000188533 [0,2,0,0,0,0|2,0,0]=4 14119 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210206 [0,2,0,0,0,0|2,0,0]=4 14120 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 2230a_100138425928_100000184707 [0,2,0,0,0,0|2,0,0]=4 14121 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210206 [0,2,0,0,0,0|2,0,0]=4 14122 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)Cl 34a_100138425928_100000184707 [0,2,0,0,0,0|2,0,0]=4 14123 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 207a_100138425928_100000742290 [0,2,0,0,0,0|2,0,0]=4 14124 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 2230a_100000749334_100000210206 [0,2,0,0,0,0|2,0,0]=4 14125 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 2230a_100138425928_100000717365 [0,2,0,0,0,0|2,0,0]=4 14126 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 34a_100000749334_100000210206 [0,2,0,0,0,0|2,0,0]=4 14127 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)F 34a_100138425928_100011934319 [0,2,0,0,0,0|2,0,0]=4 14128 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)I 2230a_100138425928_100012349665 [0,2,0,0,0,0|2,0,0]=4 14129 B13R1.511 CC(C)NCc1ccc(c(c1)Cl)I 34a_100138425928_100012349665 [0,2,0,0,0,0|2,0,0]=4 14130 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 207a_100138425928_100000686674 [0,2,0,0,0,0|2,0,0]=4 14131 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 2230a_100000755036_100000210206 [0,2,0,0,0,0|2,0,0]=4 14132 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 2230a_100138425928_100000767054 [0,2,0,0,0,0|2,0,0]=4 14133 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 34a_100000755036_100000210206 [0,2,0,0,0,0|2,0,0]=4 14134 B13R1.511 CC(C)NCc1ccc(c(c1)F)Br 34a_100138425928_100000767054 [0,2,0,0,0,0|2,0,0]=4 14135 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 207a_100138425928_100000745630 [0,2,0,0,0,0|2,0,0]=4 14136 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210206 [0,2,0,0,0,0|2,0,0]=4 14137 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 2230a_100138425928_100000716492 [0,2,0,0,0,0|2,0,0]=4 14138 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 34a_100011219866_100000210206 [0,2,0,0,0,0|2,0,0]=4 14139 B13R1.511 CC(C)NCc1ccc(c(c1)F)Cl 34a_100138425928_100011519011 [0,2,0,0,0,0|2,0,0]=4 14140 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 207a_100138425928_100000211062 [0,2,0,0,0,0|2,0,0]=4 14141 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 2230a_100000737897_100000210206 [0,2,0,0,0,0|2,0,0]=4 14142 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 2230a_100138425928_100000757363 [0,2,0,0,0,0|2,0,0]=4 14143 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 34a_100000737897_100000210206 [0,2,0,0,0,0|2,0,0]=4 14144 B13R1.511 CC(C)NCc1ccc(c(c1)F)F 34a_100138425928_100000757363 [0,2,0,0,0,0|2,0,0]=4 14145 B13R1.511 CC(C)NCc1ccc(c(c1)F)I 207a_100138425928_100000050832 [0,2,0,0,0,0|2,0,0]=4 14146 B13R1.511 CC(C)NCc1ccc(c(c1)F)I 2230a_100138425928_100010149604 [0,2,0,0,0,0|2,0,0]=4 14147 B13R1.511 CC(C)NCc1ccc(c(c1)F)I 34a_100138425928_100010149604 [0,2,0,0,0,0|2,0,0]=4 14148 B13R1.511 CC(C)NCc1ccc(c(c1)F)O 34a_100000758358_100000210206 [0,2,0,0,0,0|2,0,0]=4 14149 B13R1.511 CC(C)NCc1ccc(c(c1)I)Br 207a_100138425928_100010146563 [0,2,0,0,0,0|2,0,0]=4 14150 B13R1.511 CC(C)NCc1ccc(c(c1)I)Br 2230a_100138425928_100010146616 [0,2,0,0,0,0|2,0,0]=4 14151 B13R1.511 CC(C)NCc1ccc(c(c1)I)Br 34a_100138425928_100010146616 [0,2,0,0,0,0|2,0,0]=4 14152 B13R1.511 CC(C)NCc1ccc(c(c1)I)Cl 207a_100138425928_100010209939 [0,2,0,0,0,0|2,0,0]=4 14153 B13R1.511 CC(C)NCc1ccc(c(c1)I)F 207a_100138425928_100010188209 [0,2,0,0,0,0|2,0,0]=4 14154 B13R1.511 CC(C)NCc1ccc(c(c1)I)F 2230a_100138425928_100010188208 [0,2,0,0,0,0|2,0,0]=4 14155 B13R1.511 CC(C)NCc1ccc(c(c1)I)F 34a_100138425928_100010188208 [0,2,0,0,0,0|2,0,0]=4 14156 B13R1.511 CC(C)NCc1ccc(c(c1)O)Cl 34a_100020636435_100000210206 [0,2,0,0,0,0|2,0,0]=4 14157 B13R1.511 CC(C)NCc1ccc(c(c1)O)F 34a_100160469508_100000210206 [0,2,0,0,0,0|2,0,0]=4 14158 B13R1.511 CC(C)NCc1ccc(c(c1)O)O 34a_100000010075_100000210206 [0,2,0,0,0,0|2,0,0]=4 14159 B13R1.511 CC(C)OCc1ccc(c(c1)Br)Br 34a_100000212225_100012353900 [0,2,0,0,0,0|2,0,0]=4 14160 B13R1.511 CC(C)OCc1ccc(c(c1)Br)Cl 34a_100000212225_100012353894 [0,2,0,0,0,0|2,0,0]=4 14161 B13R1.511 CC(C)OCc1ccc(c(c1)Br)Cl 34a_100012353893_100000210206 [0,2,0,0,0,0|2,0,0]=4 14162 B13R1.511 CC(C)OCc1ccc(c(c1)Br)Cl 7a_100012353893_100000210206 [0,2,0,0,0,0|2,0,0]=4 14163 B13R1.511 CC(C)OCc1ccc(c(c1)Br)F 34a_100000212225_100011206884 [0,2,0,0,0,0|2,0,0]=4 14164 B13R1.511 CC(C)OCc1ccc(c(c1)Br)F 34a_100000246287_100000210206 [0,2,0,0,0,0|2,0,0]=4 14165 B13R1.511 CC(C)OCc1ccc(c(c1)Br)F 7a_100000246287_100000210206 [0,2,0,0,0,0|2,0,0]=4 14166 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)Br 34a_100000212225_100012353895 [0,2,0,0,0,0|2,0,0]=4 14167 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)Br 34a_100000709168_100000210206 [0,2,0,0,0,0|2,0,0]=4 14168 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)Br 7a_100000709168_100000210206 [0,2,0,0,0,0|2,0,0]=4 14169 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000210206 [0,2,0,0,0,0|2,0,0]=4 14170 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)Cl 34a_100000212225_100000184707 [0,2,0,0,0,0|2,0,0]=4 14171 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000210206 [0,2,0,0,0,0|2,0,0]=4 14172 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)F 34a_100000212225_100011934319 [0,2,0,0,0,0|2,0,0]=4 14173 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)F 34a_100011217911_100000210206 [0,2,0,0,0,0|2,0,0]=4 14174 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)F 7a_100011217911_100000210206 [0,2,0,0,0,0|2,0,0]=4 14175 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)I 34a_100000212225_100012349665 [0,2,0,0,0,0|2,0,0]=4 14176 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)I 34a_100000718186_100000210206 [0,2,0,0,0,0|2,0,0]=4 14177 B13R1.511 CC(C)OCc1ccc(c(c1)Cl)I 7a_100000718186_100000210206 [0,2,0,0,0,0|2,0,0]=4 14178 B13R1.511 CC(C)OCc1ccc(c(c1)F)Br 34a_100000212225_100000767054 [0,2,0,0,0,0|2,0,0]=4 14179 B13R1.511 CC(C)OCc1ccc(c(c1)F)Br 34a_100011533735_100000210206 [0,2,0,0,0,0|2,0,0]=4 14180 B13R1.511 CC(C)OCc1ccc(c(c1)F)Br 7a_100011533735_100000210206 [0,2,0,0,0,0|2,0,0]=4 14181 B13R1.511 CC(C)OCc1ccc(c(c1)F)Cl 34a_100000212225_100011519011 [0,2,0,0,0,0|2,0,0]=4 14182 B13R1.511 CC(C)OCc1ccc(c(c1)F)Cl 34a_100011218299_100000210206 [0,2,0,0,0,0|2,0,0]=4 14183 B13R1.511 CC(C)OCc1ccc(c(c1)F)Cl 7a_100011218299_100000210206 [0,2,0,0,0,0|2,0,0]=4 14184 B13R1.511 CC(C)OCc1ccc(c(c1)F)F 34a_100000212225_100000757363 [0,2,0,0,0,0|2,0,0]=4 14185 B13R1.511 CC(C)OCc1ccc(c(c1)F)F 34a_100011215442_100000210206 [0,2,0,0,0,0|2,0,0]=4 14186 B13R1.511 CC(C)OCc1ccc(c(c1)F)F 7a_100011215442_100000210206 [0,2,0,0,0,0|2,0,0]=4 14187 B13R1.511 CC(C)OCc1ccc(c(c1)F)I 34a_100000212225_100010149604 [0,2,0,0,0,0|2,0,0]=4 14188 B13R1.511 CC(C)OCc1ccc(c(c1)F)I 34a_100010149597_100000210206 [0,2,0,0,0,0|2,0,0]=4 14189 B13R1.511 CC(C)OCc1ccc(c(c1)F)I 7a_100010149597_100000210206 [0,2,0,0,0,0|2,0,0]=4 14190 B13R1.511 CC(C)OCc1ccc(c(c1)F)N 34a_100011217239_100000210206 [0,2,0,0,0,0|2,0,0]=4 14191 B13R1.511 CC(C)OCc1ccc(c(c1)I)Br 34a_100000212225_100010146616 [0,2,0,0,0,0|2,0,0]=4 14192 B13R1.511 CC(C)OCc1ccc(c(c1)I)F 34a_100000049585_100000210206 [0,2,0,0,0,0|2,0,0]=4 14193 B13R1.511 CC(C)OCc1ccc(c(c1)I)F 34a_100000212225_100010188208 [0,2,0,0,0,0|2,0,0]=4 14194 B13R1.511 CC(C)OCc1ccc(c(c1)I)F 7a_100000049585_100000210206 [0,2,0,0,0,0|2,0,0]=4 14195 B13R1.511 CC(C)OCc1ccc(c(c1)N)Br 34a_100012347568_100000210206 [0,2,0,0,0,0|2,0,0]=4 14196 B13R1.511 CC(C)OCc1ccc(c(c1)N)Cl 34a_106256033963_100000210206 [0,2,0,0,0,0|2,0,0]=4 14197 B13R1.511 CC(C)OCc1ccc(c(c1)N)F 34a_102125399562_100000210206 [0,2,0,0,0,0|2,0,0]=4 14198 B13R1.511 CC(C)SCc1ccc(c(c1)Br)Br 62a_100000210206_100012353900 [0,2,0,0,0,0|2,0,0]=4 14199 B13R1.511 CC(C)SCc1ccc(c(c1)Br)Br 62a_100012353900_100000210206 [0,2,0,0,0,0|2,0,0]=4 14200 B13R1.511 CC(C)SCc1ccc(c(c1)Br)Cl 62a_100000210206_100012353894 [0,2,0,0,0,0|2,0,0]=4 14201 B13R1.511 CC(C)SCc1ccc(c(c1)Br)Cl 62a_100012353894_100000210206 [0,2,0,0,0,0|2,0,0]=4 14202 B13R1.511 CC(C)SCc1ccc(c(c1)Br)F 62a_100000210206_100011206884 [0,2,0,0,0,0|2,0,0]=4 14203 B13R1.511 CC(C)SCc1ccc(c(c1)Br)F 62a_100011206884_100000210206 [0,2,0,0,0,0|2,0,0]=4 14204 B13R1.511 CC(C)SCc1ccc(c(c1)Cl)Br 62a_100000210206_100012353895 [0,2,0,0,0,0|2,0,0]=4 14205 B13R1.511 CC(C)SCc1ccc(c(c1)Cl)Br 62a_100012353895_100000210206 [0,2,0,0,0,0|2,0,0]=4 14206 B13R1.511 CC(C)SCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000210206 [0,2,0,0,0,0|2,0,0]=4 14207 B13R1.511 CC(C)SCc1ccc(c(c1)Cl)Cl 62a_100000210206_100000184707 [0,2,0,0,0,0|2,0,0]=4 14208 B13R1.511 CC(C)SCc1ccc(c(c1)Cl)F 62a_100000210206_100011934319 [0,2,0,0,0,0|2,0,0]=4 14209 B13R1.511 CC(C)SCc1ccc(c(c1)Cl)F 62a_100000717365_100000210206 [0,2,0,0,0,0|2,0,0]=4 14210 B13R1.511 CC(C)SCc1ccc(c(c1)Cl)I 62a_100000210206_100012349665 [0,2,0,0,0,0|2,0,0]=4 14211 B13R1.511 CC(C)SCc1ccc(c(c1)Cl)I 62a_100012349665_100000210206 [0,2,0,0,0,0|2,0,0]=4 14212 B13R1.511 CC(C)SCc1ccc(c(c1)F)Br 62a_100000210206_100000767054 [0,2,0,0,0,0|2,0,0]=4 14213 B13R1.511 CC(C)SCc1ccc(c(c1)F)Br 62a_100000767054_100000210206 [0,2,0,0,0,0|2,0,0]=4 14214 B13R1.511 CC(C)SCc1ccc(c(c1)F)Cl 62a_100000210206_100000716492 [0,2,0,0,0,0|2,0,0]=4 14215 B13R1.511 CC(C)SCc1ccc(c(c1)F)Cl 62a_100000716492_100000210206 [0,2,0,0,0,0|2,0,0]=4 14216 B13R1.511 CC(C)SCc1ccc(c(c1)F)F 62a_100000210206_100000757363 [0,2,0,0,0,0|2,0,0]=4 14217 B13R1.511 CC(C)SCc1ccc(c(c1)F)F 62a_100000757363_100000210206 [0,2,0,0,0,0|2,0,0]=4 14218 B13R1.511 CC(C)SCc1ccc(c(c1)F)I 62a_100000210206_100010149604 [0,2,0,0,0,0|2,0,0]=4 14219 B13R1.511 CC(C)SCc1ccc(c(c1)F)I 62a_100010149604_100000210206 [0,2,0,0,0,0|2,0,0]=4 14220 B13R1.511 CC(C)SCc1ccc(c(c1)I)Br 62a_100000210206_100010146616 [0,2,0,0,0,0|2,0,0]=4 14221 B13R1.511 CC(C)SCc1ccc(c(c1)I)Br 62a_100010146616_100000210206 [0,2,0,0,0,0|2,0,0]=4 14222 B13R1.511 CC(C)SCc1ccc(c(c1)I)F 62a_100000210206_100010188208 [0,2,0,0,0,0|2,0,0]=4 14223 B13R1.511 CC(C)SCc1ccc(c(c1)I)F 62a_100010188208_100000210206 [0,2,0,0,0,0|2,0,0]=4 14224 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Br 271570a_200011019289_100012356285 [0,2,0,0,0,0|0,0,2]=4 14225 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Cl 271570a_200011019289_100012353702 [0,2,0,0,0,0|0,0,2]=4 14226 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)F 271570a_200011019289_100012047266 [0,2,0,0,0,0|0,0,2]=4 14227 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)N 271570a_200011019289_100000750455 [0,2,0,0,0,0|0,0,2]=4 14228 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)O 271570a_200011019289_100012361655 [0,2,0,0,0,0|0,0,2]=4 14229 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Br 271570a_200011019289_100012047281 [0,2,0,0,0,0|0,0,2]=4 14230 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Cl 271570a_200011019289_100011214914 [0,2,0,0,0,0|0,0,2]=4 14231 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)F 271570a_200011019289_100011215976 [0,2,0,0,0,0|0,0,2]=4 14232 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)N 271570a_200011019289_100011218065 [0,2,0,0,0,0|0,0,2]=4 14233 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)O 271570a_200011019289_100012360047 [0,2,0,0,0,0|0,0,2]=4 14234 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Br 271570a_200011019289_100000685389 [0,2,0,0,0,0|0,0,2]=4 14235 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Cl 271570a_200011019289_100011216805 [0,2,0,0,0,0|0,0,2]=4 14236 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)F 271570a_200011019289_100000750028 [0,2,0,0,0,0|0,0,2]=4 14237 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)N 271570a_200011019289_100011215594 [0,2,0,0,0,0|0,0,2]=4 14238 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O 271570a_200011019289_100000185481 [0,2,0,0,0,0|0,0,2]=4 14239 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Br 271570a_200011019289_100000750456 [0,2,0,0,0,0|0,0,2]=4 14240 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Cl 271570a_200011019289_200000761891 [0,2,0,0,0,0|0,0,2]=4 14241 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)F 271570a_200011019289_100000740924 [0,2,0,0,0,0|0,0,2]=4 14242 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)N 271570a_200011019289_100000741789 [0,2,0,0,0,0|0,0,2]=4 14243 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)O 271570a_200011019289_100000752626 [0,2,0,0,0,0|0,0,2]=4 14244 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Br 271570a_200011019289_100012356990 [0,2,0,0,0,0|0,0,2]=4 14245 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [0,2,0,0,0,0|0,0,2]=4 14246 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)F 271570a_200011019289_100000686035 [0,2,0,0,0,0|0,0,2]=4 14247 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)N 271570a_200011019289_100000739049 [0,2,0,0,0,0|0,0,2]=4 14248 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [0,2,0,0,0,0|0,0,2]=4 14249 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100011218427 [0,2,0,0,0,0|1,0,0]=3 14250 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100011218427 [0,2,0,0,0,0|1,0,0]=3 14251 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100011218427 [0,2,0,0,0,0|1,0,0]=3 14252 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011218427 [0,2,0,0,0,0|1,0,0]=3 14253 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100011218427 [0,2,0,0,0,0|1,0,0]=3 14254 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100011218427 [0,2,0,0,0,0|1,0,0]=3 14255 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 34a_100000760356_100011218427 [0,2,0,0,0,0|1,0,0]=3 14256 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 7a_100000760356_100011218427 [0,2,0,0,0,0|1,0,0]=3 14257 B13R1.511 CC(O)CNc1ccc(c(c1)Br)I 34a_100000750458_100011218427 [0,2,0,0,0,0|1,0,0]=3 14258 B13R1.511 CC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011218427 [0,2,0,0,0,0|1,0,0]=3 14259 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011218427 [0,2,0,0,0,0|1,0,0]=3 14260 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100011218427 [0,2,0,0,0,0|1,0,0]=3 14261 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100011218427 [0,2,0,0,0,0|1,0,0]=3 14262 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011218427 [0,2,0,0,0,0|1,0,0]=3 14263 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011218427 [0,2,0,0,0,0|1,0,0]=3 14264 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100011218427 [0,2,0,0,0,0|1,0,0]=3 14265 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100011218427 [0,2,0,0,0,0|1,0,0]=3 14266 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100011218427 [0,2,0,0,0,0|1,0,0]=3 14267 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100011218427 [0,2,0,0,0,0|1,0,0]=3 14268 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011218427 [0,2,0,0,0,0|1,0,0]=3 14269 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100011218427 [0,2,0,0,0,0|1,0,0]=3 14270 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 34a_100000759894_100011218427 [0,2,0,0,0,0|1,0,0]=3 14271 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 7a_100000759894_100011218427 [0,2,0,0,0,0|1,0,0]=3 14272 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100011218427 [0,2,0,0,0,0|1,0,0]=3 14273 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100011218427 [0,2,0,0,0,0|1,0,0]=3 14274 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100011218427 [0,2,0,0,0,0|1,0,0]=3 14275 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 2230a_100000210724_100011218427 [0,2,0,0,0,0|1,0,0]=3 14276 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 34a_100000210724_100011218427 [0,2,0,0,0,0|1,0,0]=3 14277 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 7a_100000210724_100011218427 [0,2,0,0,0,0|1,0,0]=3 14278 B13R1.511 CC(O)CNc1ccc(c(c1)F)I 34a_100011356925_100011218427 [0,2,0,0,0,0|1,0,0]=3 14279 B13R1.511 CC(O)CNc1ccc(c(c1)F)I 7a_100011356925_100011218427 [0,2,0,0,0,0|1,0,0]=3 14280 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011218427 [0,2,0,0,0,0|1,0,0]=3 14281 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011218427 [0,2,0,0,0,0|1,0,0]=3 14282 B13R1.511 CC(O)CNc1ccc(c(c1)I)Br 34a_100000750459_100011218427 [0,2,0,0,0,0|1,0,0]=3 14283 B13R1.511 CC(O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100011218427 [0,2,0,0,0,0|1,0,0]=3 14284 B13R1.511 CC(O)CNc1ccc(c(c1)I)F 34a_114828291077_100011218427 [0,2,0,0,0,0|1,0,0]=3 14285 B13R1.511 CC(O)CNc1ccc(c(c1)I)F 7a_114828291077_100011218427 [0,2,0,0,0,0|1,0,0]=3 14286 B13R1.511 CC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100011218427 [0,2,0,0,0,0|1,0,0]=3 14287 B13R1.511 CC(O)CNc1ccc(c(c1)O)F 34a_100012017398_100011218427 [0,2,0,0,0,0|1,0,0]=3 14288 B13R1.511 CC(O)CNc1ccc(c(c1)O)F 7a_100012017398_100011218427 [0,2,0,0,0,0|1,0,0]=3 14289 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [0,2,0,0,0,0|1,0,0]=3 14290 B13R1.511 CC(O)CNc1ccc(c(n1)F)Br 27a_100000210904_100010134343 [0,2,0,0,0,0|2,0,0]=4 14291 B13R1.511 CC(O)CNc1ccn(c(=O)c1)C 27a_100000210904_100009820031 [0,2,0,0,0,0|2,0,0]=4 14292 B13R1.511 CC(O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100011218427 [0,2,0,0,0,0|2,0,0]=4 14293 B13R1.511 CC(O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100011218427 [0,2,0,0,0,0|2,0,0]=4 14294 B13R1.511 CC(O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011218427 [0,2,0,0,0,0|1,0,0]=3 14295 B13R1.511 CC(O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011218427 [0,2,0,0,0,0|1,0,0]=3 14296 B13R1.511 CC(O)COc1ccc(c(c1)Br)F 34a_100000693481_100011218427 [0,2,0,0,0,0|1,0,0]=3 14297 B13R1.511 CC(O)COc1ccc(c(c1)Br)F 7a_100000693481_100011218427 [0,2,0,0,0,0|1,0,0]=3 14298 B13R1.511 CC(O)COc1ccc(c(c1)Br)I 34a_100000701344_100011218427 [0,2,0,0,0,0|1,0,0]=3 14299 B13R1.511 CC(O)COc1ccc(c(c1)Br)I 7a_100000701344_100011218427 [0,2,0,0,0,0|1,0,0]=3 14300 B13R1.511 CC(O)COc1ccc(c(c1)Br)N 34a_100012001276_100011218427 [0,2,0,0,0,0|1,0,0]=3 14301 B13R1.511 CC(O)COc1ccc(c(c1)Br)N 7a_100012001276_100011218427 [0,2,0,0,0,0|1,0,0]=3 14302 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100011218427 [0,2,0,0,0,0|1,0,0]=3 14303 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100011218427 [0,2,0,0,0,0|1,0,0]=3 14304 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218427 [0,2,0,0,0,0|1,0,0]=3 14305 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011218427 [0,2,0,0,0,0|1,0,0]=3 14306 B13R1.511 CC(O)COc1ccc(c(c1)Cl)F 34a_100000211030_100011218427 [0,2,0,0,0,0|1,0,0]=3 14307 B13R1.511 CC(O)COc1ccc(c(c1)Cl)F 7a_100000211030_100011218427 [0,2,0,0,0,0|1,0,0]=3 14308 B13R1.511 CC(O)COc1ccc(c(c1)Cl)I 34a_100000047559_100011218427 [0,2,0,0,0,0|1,0,0]=3 14309 B13R1.511 CC(O)COc1ccc(c(c1)Cl)I 7a_100000047559_100011218427 [0,2,0,0,0,0|1,0,0]=3 14310 B13R1.511 CC(O)COc1ccc(c(c1)Cl)N 34a_100011215599_100011218427 [0,2,0,0,0,0|1,0,0]=3 14311 B13R1.511 CC(O)COc1ccc(c(c1)Cl)N 7a_100011215599_100011218427 [0,2,0,0,0,0|1,0,0]=3 14312 B13R1.511 CC(O)COc1ccc(c(c1)F)Br 34a_100000755031_100011218427 [0,2,0,0,0,0|1,0,0]=3 14313 B13R1.511 CC(O)COc1ccc(c(c1)F)Br 7a_100000755031_100011218427 [0,2,0,0,0,0|1,0,0]=3 14314 B13R1.511 CC(O)COc1ccc(c(c1)F)Cl 34a_100000691581_100011218427 [0,2,0,0,0,0|1,0,0]=3 14315 B13R1.511 CC(O)COc1ccc(c(c1)F)Cl 7a_100000691581_100011218427 [0,2,0,0,0,0|1,0,0]=3 14316 B13R1.511 CC(O)COc1ccc(c(c1)F)F 34a_100000181275_100011218427 [0,2,0,0,0,0|1,0,0]=3 14317 B13R1.511 CC(O)COc1ccc(c(c1)F)F 7a_100000181275_100011218427 [0,2,0,0,0,0|1,0,0]=3 14318 B13R1.511 CC(O)COc1ccc(c(c1)F)I 34a_100009990212_100011218427 [0,2,0,0,0,0|1,0,0]=3 14319 B13R1.511 CC(O)COc1ccc(c(c1)F)I 7a_100009990212_100011218427 [0,2,0,0,0,0|1,0,0]=3 14320 B13R1.511 CC(O)COc1ccc(c(c1)F)N 34a_100000759473_100011218427 [0,2,0,0,0,0|1,0,0]=3 14321 B13R1.511 CC(O)COc1ccc(c(c1)F)N 7a_100000759473_100011218427 [0,2,0,0,0,0|1,0,0]=3 14322 B13R1.511 CC(O)COc1ccc(c(c1)I)Br 34a_100012339312_100011218427 [0,2,0,0,0,0|1,0,0]=3 14323 B13R1.511 CC(O)COc1ccc(c(c1)I)Br 7a_100012339312_100011218427 [0,2,0,0,0,0|1,0,0]=3 14324 B13R1.511 CC(O)COc1ccc(c(c1)I)Cl 34a_100000049588_100011218427 [0,2,0,0,0,0|1,0,0]=3 14325 B13R1.511 CC(O)COc1ccc(c(c1)I)Cl 7a_100000049588_100011218427 [0,2,0,0,0,0|1,0,0]=3 14326 B13R1.511 CC(O)COc1ccc(c(c1)I)N 34a_100010084370_100011218427 [0,2,0,0,0,0|1,0,0]=3 14327 B13R1.511 CC(O)COc1ccc(c(c1)I)N 7a_100010084370_100011218427 [0,2,0,0,0,0|1,0,0]=3 14328 B13R1.511 CC(O)COc1ccc(c(c1)N)Br 34a_100011999798_100011218427 [0,2,0,0,0,0|1,0,0]=3 14329 B13R1.511 CC(O)COc1ccc(c(c1)N)Br 7a_100011999798_100011218427 [0,2,0,0,0,0|1,0,0]=3 14330 B13R1.511 CC(O)COc1ccc(c(c1)N)Cl 34a_100011934297_100011218427 [0,2,0,0,0,0|1,0,0]=3 14331 B13R1.511 CC(O)COc1ccc(c(c1)N)F 34a_100012017239_100011218427 [0,2,0,0,0,0|1,0,0]=3 14332 B13R1.511 CC(O)COc1ccc(c(c1)N)F 7a_100012017239_100011218427 [0,2,0,0,0,0|1,0,0]=3 14333 B13R1.511 CC(O)COc1ccc(c(c1)N)N 34a_100025771000_100011218427 [0,2,0,0,0,0|1,0,0]=3 14334 B13R1.511 CC(O)COc1ccc(c(n1)F)Br 34a_100009879308_100011218427 [0,2,0,0,0,0|2,0,0]=4 14335 B13R1.511 CC(O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100011218427 [0,2,0,0,0,0|2,0,0]=4 14336 B13R1.511 CC(O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100011218427 [0,2,0,0,0,0|2,0,0]=4 14337 B13R1.511 CC(O)COc1cnc(c(c1)Br)F 34a_100009817267_100011218427 [0,2,0,0,0,0|2,0,0]=4 14338 B13R1.511 CC(O)COc1cnc(c(c1)Br)F 7a_100009817267_100011218427 [0,2,0,0,0,0|2,0,0]=4 14339 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100011218427 [0,2,0,0,0,0|2,0,0]=4 14340 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100011218427 [0,2,0,0,0,0|2,0,0]=4 14341 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100011218427 [0,2,0,0,0,0|2,0,0]=4 14342 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100011218427 [0,2,0,0,0,0|2,0,0]=4 14343 B13R1.511 CC(O)COc1cnc(c(c1)Cl)F 34a_100000087088_100011218427 [0,2,0,0,0,0|2,0,0]=4 14344 B13R1.511 CC(O)COc1cnc(c(c1)Cl)F 7a_100000087088_100011218427 [0,2,0,0,0,0|2,0,0]=4 14345 B13R1.511 CC(O)COc1cnc(c(c1)F)Cl 34a_100000063512_100011218427 [0,2,0,0,0,0|2,0,0]=4 14346 B13R1.511 CC(O)COc1cnc(c(c1)F)Cl 7a_100000063512_100011218427 [0,2,0,0,0,0|2,0,0]=4 14347 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100011218427 [0,2,0,0,0,0|2,0,0]=4 14348 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)Br 62a_100011218427_100010125443 [0,2,0,0,0,0|2,0,0]=4 14349 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100011218427 [0,2,0,0,0,0|2,0,0]=4 14350 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)F 62a_100011218427_100000723523 [0,2,0,0,0,0|2,0,0]=4 14351 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)O 62a_100011218427_100009814561 [0,2,0,0,0,0|2,0,0]=4 14352 B13R1.511 CC(O)CSc1cc(c(cn1)F)N 62a_100000126464_100011218427 [0,2,0,0,0,0|2,0,0]=4 14353 B13R1.511 CC(O)CSc1cc(c(cn1)F)N 62a_100011218427_100000126464 [0,2,0,0,0,0|2,0,0]=4 14354 B13R1.511 CC(O)CSc1cc(c(cn1)F)O 62a_100009854642_100011218427 [0,2,0,0,0,0|2,0,0]=4 14355 B13R1.511 CC(O)CSc1cc(c(cn1)F)O 62a_100011218427_100009854642 [0,2,0,0,0,0|2,0,0]=4 14356 B13R1.511 CC(O)CSc1cc(c(cn1)N)N 62a_100000067514_100011218427 [0,2,0,0,0,0|2,0,0]=4 14357 B13R1.511 CC(O)CSc1cc(c(cn1)N)N 62a_100011218427_100000067514 [0,2,0,0,0,0|2,0,0]=4 14358 B13R1.511 CC(O)CSc1cc(c(cn1)O)N 62a_100009819941_100011218427 [0,2,0,0,0,0|2,0,0]=4 14359 B13R1.511 CC(O)CSc1cc(c(cn1)O)N 62a_100011218427_100009819941 [0,2,0,0,0,0|2,0,0]=4 14360 B13R1.511 CC(O)CSc1ccc(=O)n(c1)C 62a_100011218427_100011245003 [0,2,0,0,0,0|2,0,0]=4 14361 B13R1.511 CC(O)CSc1ccc(=O)n(c1)C 62a_100011245003_100011218427 [0,2,0,0,0,0|2,0,0]=4 14362 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Br 62a_100011218427_100012356285 [0,2,0,0,0,0|1,0,0]=3 14363 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100011218427 [0,2,0,0,0,0|1,0,0]=3 14364 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Cl 62a_100011218427_100012353702 [0,2,0,0,0,0|1,0,0]=3 14365 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100011218427 [0,2,0,0,0,0|1,0,0]=3 14366 B13R1.511 CC(O)CSc1ccc(c(c1)Br)F 62a_100011218427_100012047266 [0,2,0,0,0,0|1,0,0]=3 14367 B13R1.511 CC(O)CSc1ccc(c(c1)Br)F 62a_100012047266_100011218427 [0,2,0,0,0,0|1,0,0]=3 14368 B13R1.511 CC(O)CSc1ccc(c(c1)Br)N 62a_100000750455_100011218427 [0,2,0,0,0,0|1,0,0]=3 14369 B13R1.511 CC(O)CSc1ccc(c(c1)Br)N 62a_100011218427_100000750455 [0,2,0,0,0,0|1,0,0]=3 14370 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100011218427_100012361655 [0,2,0,0,0,0|1,0,0]=3 14371 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011218427 [0,2,0,0,0,0|1,0,0]=3 14372 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Br 62a_100011218427_100012047281 [0,2,0,0,0,0|1,0,0]=3 14373 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100011218427 [0,2,0,0,0,0|1,0,0]=3 14374 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011218427 [0,2,0,0,0,0|1,0,0]=3 14375 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011218427_100011214914 [0,2,0,0,0,0|1,0,0]=3 14376 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100011218427 [0,2,0,0,0,0|1,0,0]=3 14377 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)F 62a_100011218427_100011215976 [0,2,0,0,0,0|1,0,0]=3 14378 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100011218427 [0,2,0,0,0,0|1,0,0]=3 14379 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)N 62a_100011218427_100011218065 [0,2,0,0,0,0|1,0,0]=3 14380 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100011218427_100012360047 [0,2,0,0,0,0|1,0,0]=3 14381 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011218427 [0,2,0,0,0,0|1,0,0]=3 14382 B13R1.511 CC(O)CSc1ccc(c(c1)F)Br 62a_100000685389_100011218427 [0,2,0,0,0,0|1,0,0]=3 14383 B13R1.511 CC(O)CSc1ccc(c(c1)F)Br 62a_100011218427_100000685389 [0,2,0,0,0,0|1,0,0]=3 14384 B13R1.511 CC(O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100011218427 [0,2,0,0,0,0|1,0,0]=3 14385 B13R1.511 CC(O)CSc1ccc(c(c1)F)Cl 62a_100011218427_100011216805 [0,2,0,0,0,0|1,0,0]=3 14386 B13R1.511 CC(O)CSc1ccc(c(c1)F)F 62a_100000703953_100011218427 [0,2,0,0,0,0|1,0,0]=3 14387 B13R1.511 CC(O)CSc1ccc(c(c1)F)F 62a_100011218427_100000703953 [0,2,0,0,0,0|1,0,0]=3 14388 B13R1.511 CC(O)CSc1ccc(c(c1)F)N 62a_100011215594_100011218427 [0,2,0,0,0,0|1,0,0]=3 14389 B13R1.511 CC(O)CSc1ccc(c(c1)F)N 62a_100011218427_100011215594 [0,2,0,0,0,0|1,0,0]=3 14390 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011218427 [0,2,0,0,0,0|1,0,0]=3 14391 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100011218427_100000185481 [0,2,0,0,0,0|1,0,0]=3 14392 B13R1.511 CC(O)CSc1ccc(c(c1)N)Br 62a_100000750456_100011218427 [0,2,0,0,0,0|1,0,0]=3 14393 B13R1.511 CC(O)CSc1ccc(c(c1)N)Br 62a_100011218427_100000750456 [0,2,0,0,0,0|1,0,0]=3 14394 B13R1.511 CC(O)CSc1ccc(c(c1)N)Cl 62a_100011218427_200000761891 [0,2,0,0,0,0|1,0,0]=3 14395 B13R1.511 CC(O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100011218427 [0,2,0,0,0,0|1,0,0]=3 14396 B13R1.511 CC(O)CSc1ccc(c(c1)N)F 62a_100000740924_100011218427 [0,2,0,0,0,0|1,0,0]=3 14397 B13R1.511 CC(O)CSc1ccc(c(c1)N)F 62a_100011218427_100000740924 [0,2,0,0,0,0|1,0,0]=3 14398 B13R1.511 CC(O)CSc1ccc(c(c1)N)N 62a_100000741789_100011218427 [0,2,0,0,0,0|1,0,0]=3 14399 B13R1.511 CC(O)CSc1ccc(c(c1)N)N 62a_100011218427_100011534411 [0,2,0,0,0,0|1,0,0]=3 14400 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100000752626_100011218427 [0,2,0,0,0,0|1,0,0]=3 14401 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100011218427_100000752626 [0,2,0,0,0,0|1,0,0]=3 14402 B13R1.511 CC(O)CSc1ccc(c(c1)O)Br 62a_100011218427_100012356990 [0,2,0,0,0,0|1,0,0]=3 14403 B13R1.511 CC(O)CSc1ccc(c(c1)O)Br 62a_100012356990_100011218427 [0,2,0,0,0,0|1,0,0]=3 14404 B13R1.511 CC(O)CSc1ccc(c(c1)O)Cl 62a_100011218427_100011356854 [0,2,0,0,0,0|1,0,0]=3 14405 B13R1.511 CC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100011218427 [0,2,0,0,0,0|1,0,0]=3 14406 B13R1.511 CC(O)CSc1ccc(c(c1)O)F 62a_100000686035_100011218427 [0,2,0,0,0,0|1,0,0]=3 14407 B13R1.511 CC(O)CSc1ccc(c(c1)O)F 62a_100011218427_100000686035 [0,2,0,0,0,0|1,0,0]=3 14408 B13R1.511 CC(O)CSc1ccc(c(c1)O)N 62a_100000739049_100011218427 [0,2,0,0,0,0|1,0,0]=3 14409 B13R1.511 CC(O)CSc1ccc(c(c1)O)N 62a_100011218427_100000739049 [0,2,0,0,0,0|1,0,0]=3 14410 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [0,2,0,0,0,0|1,0,0]=3 14411 B13R1.511 CC(O)CSc1ccc(c(n1)Br)O 62a_100000725334_100011218427 [0,2,0,0,0,0|2,0,0]=4 14412 B13R1.511 CC(O)CSc1ccc(c(n1)Br)O 62a_100011218427_100000725334 [0,2,0,0,0,0|2,0,0]=4 14413 B13R1.511 CC(O)CSc1ccc(c(n1)Cl)N 62a_100011218427_200010233646 [0,2,0,0,0,0|2,0,0]=4 14414 B13R1.511 CC(O)CSc1ccc(c(n1)Cl)N 62a_200010233646_100011218427 [0,2,0,0,0,0|2,0,0]=4 14415 B13R1.511 CC(O)CSc1ccc(c(n1)Cl)O 62a_100011218427_100000721234 [0,2,0,0,0,0|2,0,0]=4 14416 B13R1.511 CC(O)CSc1ccc(c(n1)F)Br 62a_100010134343_100011218427 [0,2,0,0,0,0|2,0,0]=4 14417 B13R1.511 CC(O)CSc1ccc(c(n1)F)Br 62a_100011218427_100010134343 [0,2,0,0,0,0|2,0,0]=4 14418 B13R1.511 CC(O)CSc1ccc(c(n1)F)N 62a_100009856439_100011218427 [0,2,0,0,0,0|2,0,0]=4 14419 B13R1.511 CC(O)CSc1ccc(c(n1)F)N 62a_100011218427_100009856439 [0,2,0,0,0,0|2,0,0]=4 14420 B13R1.511 CC(O)CSc1ccc(c(n1)F)O 62a_100009819667_100011218427 [0,2,0,0,0,0|2,0,0]=4 14421 B13R1.511 CC(O)CSc1ccc(c(n1)F)O 62a_100011218427_100009819667 [0,2,0,0,0,0|2,0,0]=4 14422 B13R1.511 CC(O)CSc1ccc(c(n1)N)F 62a_100011218427_100016091773 [0,2,0,0,0,0|2,0,0]=4 14423 B13R1.511 CC(O)CSc1ccc(c(n1)N)F 62a_100016091773_100011218427 [0,2,0,0,0,0|2,0,0]=4 14424 B13R1.511 CC(O)CSc1ccc(c(n1)N)N 62a_100000747239_100011218427 [0,2,0,0,0,0|2,0,0]=4 14425 B13R1.511 CC(O)CSc1ccc(c(n1)N)O 62a_100000685527_100011218427 [0,2,0,0,0,0|2,0,0]=4 14426 B13R1.511 CC(O)CSc1ccc(c(n1)N)O 62a_100011218427_100000685527 [0,2,0,0,0,0|2,0,0]=4 14427 B13R1.511 CC(O)CSc1ccc(c(n1)O)F 62a_100011218427_100010729010 [0,2,0,0,0,0|2,0,0]=4 14428 B13R1.511 CC(O)CSc1ccc(c(n1)O)N 62a_100000718904_100011218427 [0,2,0,0,0,0|2,0,0]=4 14429 B13R1.511 CC(O)CSc1ccn(c(=O)c1)C 62a_100009820031_100011218427 [0,2,0,0,0,0|2,0,0]=4 14430 B13R1.511 CC(O)CSc1ccn(c(=O)c1)C 62a_100011218427_100009820031 [0,2,0,0,0,0|2,0,0]=4 14431 B13R1.511 CC(O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100011218427 [0,2,0,0,0,0|2,0,0]=4 14432 B13R1.511 CC(O)CSc1cnc(c(c1)Br)Cl 62a_100011218427_100010172733 [0,2,0,0,0,0|2,0,0]=4 14433 B13R1.511 CC(O)CSc1cnc(c(c1)Br)N 62a_100011218427_100012353989 [0,2,0,0,0,0|2,0,0]=4 14434 B13R1.511 CC(O)CSc1cnc(c(c1)Br)N 62a_100012353989_100011218427 [0,2,0,0,0,0|2,0,0]=4 14435 B13R1.511 CC(O)CSc1cnc(c(c1)Cl)N 62a_100011218427_100012356299 [0,2,0,0,0,0|2,0,0]=4 14436 B13R1.511 CC(O)CSc1cnc(c(c1)Cl)N 62a_100012356299_100011218427 [0,2,0,0,0,0|2,0,0]=4 14437 B13R1.511 CC(O)CSc1cnc(c(c1)Cl)O 62a_100010238531_100011218427 [0,2,0,0,0,0|2,0,0]=4 14438 B13R1.511 CC(O)CSc1cnc(c(c1)Cl)O 62a_100011218427_100010238531 [0,2,0,0,0,0|2,0,0]=4 14439 B13R1.511 CC(O)CSc1cnc(c(c1)F)F 62a_100009817721_100011218427 [0,2,0,0,0,0|2,0,0]=4 14440 B13R1.511 CC(O)CSc1cnc(c(c1)F)F 62a_100011218427_100009817721 [0,2,0,0,0,0|2,0,0]=4 14441 B13R1.511 CC(O)CSc1cnc(c(c1)F)N 62a_100000693161_100011218427 [0,2,0,0,0,0|2,0,0]=4 14442 B13R1.511 CC(O)CSc1cnc(c(c1)F)N 62a_100011218427_100000693161 [0,2,0,0,0,0|2,0,0]=4 14443 B13R1.511 CC(O)CSc1cnc(c(c1)N)Cl 62a_100009828400_100011218427 [0,2,0,0,0,0|2,0,0]=4 14444 B13R1.511 CC(O)CSc1cnc(c(c1)N)Cl 62a_100011218427_100009828400 [0,2,0,0,0,0|2,0,0]=4 14445 B13R1.511 CC(O)CSc1cnc(c(c1)N)F 62a_100009816798_100011218427 [0,2,0,0,0,0|2,0,0]=4 14446 B13R1.511 CC(O)CSc1cnc(c(c1)N)F 62a_100011218427_100009816798 [0,2,0,0,0,0|2,0,0]=4 14447 B13R1.511 CC(O)CSc1cnc(c(c1)N)N 62a_100000184470_100011218427 [0,2,0,0,0,0|2,0,0]=4 14448 B13R1.511 CC(O)CSc1cnc(c(c1)N)N 62a_100011218427_100000184470 [0,2,0,0,0,0|2,0,0]=4 14449 B13R1.511 CC(O)CSc1cnc(c(c1)N)O 62a_100000743729_100011218427 [0,2,0,0,0,0|2,0,0]=4 14450 B13R1.511 CC(O)CSc1cnc(c(c1)N)O 62a_100011218427_100000743729 [0,2,0,0,0,0|2,0,0]=4 14451 B13R1.511 CC(O)CSc1cnc(c(c1)O)F 62a_100009819871_100011218427 [0,2,0,0,0,0|2,0,0]=4 14452 B13R1.511 CC(O)CSc1cnc(c(c1)O)F 62a_100011218427_100009819871 [0,2,0,0,0,0|2,0,0]=4 14453 B13R1.511 CC(O)CSc1cnc(c(c1)O)N 62a_100009819042_100011218427 [0,2,0,0,0,0|2,0,0]=4 14454 B13R1.511 CC(O)CSc1cnc(c(c1)O)N 62a_100011218427_100009819042 [0,2,0,0,0,0|2,0,0]=4 14455 B13R1.511 CN(C)CCc1ccc(c(c1)Cl)Cl 2230a_100102631434_100011713676 [0,2,0,0,0,0|2,0,0]=4 14456 B13R1.511 CN(C)CCc1ccc(c(c1)Cl)Cl 269982a_100102631434_100011713676 [0,2,0,0,0,0|2,0,0]=4 14457 B13R1.511 CN(C)CCc1ccc(c(c1)Cl)F 2230a_100102631434_100012361305 [0,2,0,0,0,0|2,0,0]=4 14458 B13R1.511 CN(C)CCc1ccc(c(c1)Cl)F 269982a_100102631434_100012361305 [0,2,0,0,0,0|2,0,0]=4 14459 B13R1.511 CN(C)CCc1ccc(c(c1)F)F 2230a_100102631434_100000690553 [0,2,0,0,0,0|2,0,0]=4 14460 B13R1.511 CN(C)CCc1ccc(c(c1)F)F 269982a_100102631434_100000690553 [0,2,0,0,0,0|2,0,0]=4 14461 B13R1.511 CN(C)CCc1ccc(c(c1)O)O 269982a_100102631434_200010393615 [0,2,0,0,0,0|2,0,0]=4 14462 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100009817552 [0,2,0,0,0,0|1,0,0]=3 14463 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100009817552 [0,2,0,0,0,0|1,0,0]=3 14464 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100009817552 [0,2,0,0,0,0|1,0,0]=3 14465 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100009817552 [0,2,0,0,0,0|1,0,0]=3 14466 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100009817552 [0,2,0,0,0,0|1,0,0]=3 14467 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100009817552 [0,2,0,0,0,0|1,0,0]=3 14468 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 34a_100000760356_100009817552 [0,2,0,0,0,0|1,0,0]=3 14469 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 7a_100000760356_100009817552 [0,2,0,0,0,0|1,0,0]=3 14470 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)I 34a_100000750458_100009817552 [0,2,0,0,0,0|1,0,0]=3 14471 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)O 34a_100011534360_100009817552 [0,2,0,0,0,0|1,0,0]=3 14472 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100009817552 [0,2,0,0,0,0|1,0,0]=3 14473 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100009817552 [0,2,0,0,0,0|1,0,0]=3 14474 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100009817552 [0,2,0,0,0,0|1,0,0]=3 14475 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100009817552 [0,2,0,0,0,0|1,0,0]=3 14476 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100009817552 [0,2,0,0,0,0|1,0,0]=3 14477 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100009817552 [0,2,0,0,0,0|1,0,0]=3 14478 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100009817552 [0,2,0,0,0,0|1,0,0]=3 14479 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100009817552 [0,2,0,0,0,0|1,0,0]=3 14480 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100009817552 [0,2,0,0,0,0|1,0,0]=3 14481 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009817552 [0,2,0,0,0,0|1,0,0]=3 14482 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100009817552 [0,2,0,0,0,0|1,0,0]=3 14483 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 34a_100000759894_100009817552 [0,2,0,0,0,0|1,0,0]=3 14484 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 7a_100000759894_100009817552 [0,2,0,0,0,0|1,0,0]=3 14485 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100009817552 [0,2,0,0,0,0|1,0,0]=3 14486 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100009817552 [0,2,0,0,0,0|1,0,0]=3 14487 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100009817552 [0,2,0,0,0,0|1,0,0]=3 14488 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 2230a_100000210724_100009817552 [0,2,0,0,0,0|1,0,0]=3 14489 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 34a_100000210724_100009817552 [0,2,0,0,0,0|1,0,0]=3 14490 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 7a_100000210724_100009817552 [0,2,0,0,0,0|1,0,0]=3 14491 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)I 34a_100011356925_100009817552 [0,2,0,0,0,0|1,0,0]=3 14492 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)I 7a_100011356925_100009817552 [0,2,0,0,0,0|1,0,0]=3 14493 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 34a_100011220035_100009817552 [0,2,0,0,0,0|1,0,0]=3 14494 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 7a_100011220035_100009817552 [0,2,0,0,0,0|1,0,0]=3 14495 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)Br 34a_100000750459_100009817552 [0,2,0,0,0,0|1,0,0]=3 14496 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100009817552 [0,2,0,0,0,0|1,0,0]=3 14497 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)F 34a_114828291077_100009817552 [0,2,0,0,0,0|1,0,0]=3 14498 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)F 7a_114828291077_100009817552 [0,2,0,0,0,0|1,0,0]=3 14499 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009817552 [0,2,0,0,0,0|1,0,0]=3 14500 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)F 34a_100012017398_100009817552 [0,2,0,0,0,0|1,0,0]=3 14501 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)F 7a_100012017398_100009817552 [0,2,0,0,0,0|1,0,0]=3 14502 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [0,2,0,0,0,0|1,0,0]=3 14503 B13R1.511 C[C@@H](O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100009817552 [0,2,0,0,0,0|2,0,0]=4 14504 B13R1.511 C[C@@H](O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100009817552 [0,2,0,0,0,0|2,0,0]=4 14505 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009817552 [0,2,0,0,0,0|1,0,0]=3 14506 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100009817552 [0,2,0,0,0,0|1,0,0]=3 14507 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)F 34a_100000693481_100009817552 [0,2,0,0,0,0|1,0,0]=3 14508 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)F 7a_100000693481_100009817552 [0,2,0,0,0,0|1,0,0]=3 14509 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)I 34a_100000701344_100009817552 [0,2,0,0,0,0|1,0,0]=3 14510 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)I 7a_100000701344_100009817552 [0,2,0,0,0,0|1,0,0]=3 14511 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)N 34a_100012001276_100009817552 [0,2,0,0,0,0|1,0,0]=3 14512 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)N 7a_100012001276_100009817552 [0,2,0,0,0,0|1,0,0]=3 14513 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009817552 [0,2,0,0,0,0|1,0,0]=3 14514 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100009817552 [0,2,0,0,0,0|1,0,0]=3 14515 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009817552 [0,2,0,0,0,0|1,0,0]=3 14516 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100009817552 [0,2,0,0,0,0|1,0,0]=3 14517 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)F 34a_100000211030_100009817552 [0,2,0,0,0,0|1,0,0]=3 14518 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)F 7a_100000211030_100009817552 [0,2,0,0,0,0|1,0,0]=3 14519 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)I 34a_100000047559_100009817552 [0,2,0,0,0,0|1,0,0]=3 14520 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)I 7a_100000047559_100009817552 [0,2,0,0,0,0|1,0,0]=3 14521 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)N 34a_100011215599_100009817552 [0,2,0,0,0,0|1,0,0]=3 14522 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)N 7a_100011215599_100009817552 [0,2,0,0,0,0|1,0,0]=3 14523 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Br 34a_100000755031_100009817552 [0,2,0,0,0,0|1,0,0]=3 14524 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Br 7a_100000755031_100009817552 [0,2,0,0,0,0|1,0,0]=3 14525 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Cl 34a_100000691581_100009817552 [0,2,0,0,0,0|1,0,0]=3 14526 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Cl 7a_100000691581_100009817552 [0,2,0,0,0,0|1,0,0]=3 14527 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)F 34a_100000181275_100009817552 [0,2,0,0,0,0|1,0,0]=3 14528 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)F 7a_100000181275_100009817552 [0,2,0,0,0,0|1,0,0]=3 14529 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)I 34a_100009990212_100009817552 [0,2,0,0,0,0|1,0,0]=3 14530 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)I 7a_100009990212_100009817552 [0,2,0,0,0,0|1,0,0]=3 14531 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)N 34a_100000759473_100009817552 [0,2,0,0,0,0|1,0,0]=3 14532 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)N 7a_100000759473_100009817552 [0,2,0,0,0,0|1,0,0]=3 14533 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Br 34a_100012339312_100009817552 [0,2,0,0,0,0|1,0,0]=3 14534 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Br 7a_100012339312_100009817552 [0,2,0,0,0,0|1,0,0]=3 14535 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Cl 34a_100000049588_100009817552 [0,2,0,0,0,0|1,0,0]=3 14536 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Cl 7a_100000049588_100009817552 [0,2,0,0,0,0|1,0,0]=3 14537 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)N 34a_100010084370_100009817552 [0,2,0,0,0,0|1,0,0]=3 14538 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)N 7a_100010084370_100009817552 [0,2,0,0,0,0|1,0,0]=3 14539 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Br 34a_100011999798_100009817552 [0,2,0,0,0,0|1,0,0]=3 14540 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Br 7a_100011999798_100009817552 [0,2,0,0,0,0|1,0,0]=3 14541 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Cl 34a_100011934297_100009817552 [0,2,0,0,0,0|1,0,0]=3 14542 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)F 34a_100012017239_100009817552 [0,2,0,0,0,0|1,0,0]=3 14543 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)F 7a_100012017239_100009817552 [0,2,0,0,0,0|1,0,0]=3 14544 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)N 34a_100025771000_100009817552 [0,2,0,0,0,0|1,0,0]=3 14545 B13R1.511 C[C@@H](O)COc1ccc(c(n1)F)Br 34a_100009879308_100009817552 [0,2,0,0,0,0|2,0,0]=4 14546 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100009817552 [0,2,0,0,0,0|2,0,0]=4 14547 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100009817552 [0,2,0,0,0,0|2,0,0]=4 14548 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)F 34a_100009817267_100009817552 [0,2,0,0,0,0|2,0,0]=4 14549 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)F 7a_100009817267_100009817552 [0,2,0,0,0,0|2,0,0]=4 14550 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100009817552 [0,2,0,0,0,0|2,0,0]=4 14551 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100009817552 [0,2,0,0,0,0|2,0,0]=4 14552 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100009817552 [0,2,0,0,0,0|2,0,0]=4 14553 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100009817552 [0,2,0,0,0,0|2,0,0]=4 14554 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)F 34a_100000087088_100009817552 [0,2,0,0,0,0|2,0,0]=4 14555 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)F 7a_100000087088_100009817552 [0,2,0,0,0,0|2,0,0]=4 14556 B13R1.511 C[C@@H](O)COc1cnc(c(c1)F)Cl 34a_100000063512_100009817552 [0,2,0,0,0,0|2,0,0]=4 14557 B13R1.511 C[C@@H](O)COc1cnc(c(c1)F)Cl 7a_100000063512_100009817552 [0,2,0,0,0,0|2,0,0]=4 14558 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)Br 62a_100009817552_100010125443 [0,2,0,0,0,0|2,0,0]=4 14559 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100009817552 [0,2,0,0,0,0|2,0,0]=4 14560 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100009817552 [0,2,0,0,0,0|2,0,0]=4 14561 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)F 62a_100009817552_100000723523 [0,2,0,0,0,0|2,0,0]=4 14562 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)O 62a_100009817552_100009814561 [0,2,0,0,0,0|2,0,0]=4 14563 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)F)N 62a_100000126464_100009817552 [0,2,0,0,0,0|2,0,0]=4 14564 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)F)N 62a_100009817552_100000126464 [0,2,0,0,0,0|2,0,0]=4 14565 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)F)O 62a_100009817552_100009854642 [0,2,0,0,0,0|2,0,0]=4 14566 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)F)O 62a_100009854642_100009817552 [0,2,0,0,0,0|2,0,0]=4 14567 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)N)N 62a_100000067514_100009817552 [0,2,0,0,0,0|2,0,0]=4 14568 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)N)N 62a_100009817552_100000067514 [0,2,0,0,0,0|2,0,0]=4 14569 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)O)N 62a_100009817552_100009819941 [0,2,0,0,0,0|2,0,0]=4 14570 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)O)N 62a_100009819941_100009817552 [0,2,0,0,0,0|2,0,0]=4 14571 B13R1.511 C[C@@H](O)CSc1ccc(=O)n(c1)C 62a_100009817552_100011245003 [0,2,0,0,0,0|2,0,0]=4 14572 B13R1.511 C[C@@H](O)CSc1ccc(=O)n(c1)C 62a_100011245003_100009817552 [0,2,0,0,0,0|2,0,0]=4 14573 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Br 62a_100009817552_100012356285 [0,2,0,0,0,0|1,0,0]=3 14574 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100009817552 [0,2,0,0,0,0|1,0,0]=3 14575 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Cl 62a_100009817552_100012353702 [0,2,0,0,0,0|1,0,0]=3 14576 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100009817552 [0,2,0,0,0,0|1,0,0]=3 14577 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)F 62a_100009817552_100012047266 [0,2,0,0,0,0|1,0,0]=3 14578 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)F 62a_100012047266_100009817552 [0,2,0,0,0,0|1,0,0]=3 14579 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)N 62a_100000750455_100009817552 [0,2,0,0,0,0|1,0,0]=3 14580 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)N 62a_100009817552_100000750455 [0,2,0,0,0,0|1,0,0]=3 14581 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100009817552_100012361655 [0,2,0,0,0,0|1,0,0]=3 14582 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100012361655_100009817552 [0,2,0,0,0,0|1,0,0]=3 14583 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Br 62a_100009817552_100012047281 [0,2,0,0,0,0|1,0,0]=3 14584 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100009817552 [0,2,0,0,0,0|1,0,0]=3 14585 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100009817552_100011214914 [0,2,0,0,0,0|1,0,0]=3 14586 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100009817552 [0,2,0,0,0,0|1,0,0]=3 14587 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)F 62a_100009817552_100011215976 [0,2,0,0,0,0|1,0,0]=3 14588 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100009817552 [0,2,0,0,0,0|1,0,0]=3 14589 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)N 62a_100009817552_100011218065 [0,2,0,0,0,0|1,0,0]=3 14590 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100009817552 [0,2,0,0,0,0|1,0,0]=3 14591 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100009817552_100012360047 [0,2,0,0,0,0|1,0,0]=3 14592 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100009817552 [0,2,0,0,0,0|1,0,0]=3 14593 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Br 62a_100000685389_100009817552 [0,2,0,0,0,0|1,0,0]=3 14594 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Br 62a_100009817552_100000685389 [0,2,0,0,0,0|1,0,0]=3 14595 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Cl 62a_100009817552_100011216805 [0,2,0,0,0,0|1,0,0]=3 14596 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100009817552 [0,2,0,0,0,0|1,0,0]=3 14597 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)F 62a_100000703953_100009817552 [0,2,0,0,0,0|1,0,0]=3 14598 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)F 62a_100009817552_100000703953 [0,2,0,0,0,0|1,0,0]=3 14599 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)N 62a_100009817552_100011215594 [0,2,0,0,0,0|1,0,0]=3 14600 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)N 62a_100011215594_100009817552 [0,2,0,0,0,0|1,0,0]=3 14601 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100000185481_100009817552 [0,2,0,0,0,0|1,0,0]=3 14602 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100009817552_100000185481 [0,2,0,0,0,0|1,0,0]=3 14603 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Br 62a_100000750456_100009817552 [0,2,0,0,0,0|1,0,0]=3 14604 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Br 62a_100009817552_100000750456 [0,2,0,0,0,0|1,0,0]=3 14605 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Cl 62a_100009817552_200000761891 [0,2,0,0,0,0|1,0,0]=3 14606 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100009817552 [0,2,0,0,0,0|1,0,0]=3 14607 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)F 62a_100000740924_100009817552 [0,2,0,0,0,0|1,0,0]=3 14608 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)F 62a_100009817552_100000740924 [0,2,0,0,0,0|1,0,0]=3 14609 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)N 62a_100000741789_100009817552 [0,2,0,0,0,0|1,0,0]=3 14610 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)N 62a_100009817552_100011534411 [0,2,0,0,0,0|1,0,0]=3 14611 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100000752626_100009817552 [0,2,0,0,0,0|1,0,0]=3 14612 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100009817552_100000752626 [0,2,0,0,0,0|1,0,0]=3 14613 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Br 62a_100009817552_100012356990 [0,2,0,0,0,0|1,0,0]=3 14614 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Br 62a_100012356990_100009817552 [0,2,0,0,0,0|1,0,0]=3 14615 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Cl 62a_100009817552_100011356854 [0,2,0,0,0,0|1,0,0]=3 14616 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100009817552 [0,2,0,0,0,0|1,0,0]=3 14617 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)F 62a_100000686035_100009817552 [0,2,0,0,0,0|1,0,0]=3 14618 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)F 62a_100009817552_100000686035 [0,2,0,0,0,0|1,0,0]=3 14619 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)N 62a_100000739049_100009817552 [0,2,0,0,0,0|1,0,0]=3 14620 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)N 62a_100009817552_100000739049 [0,2,0,0,0,0|1,0,0]=3 14621 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [0,2,0,0,0,0|1,0,0]=3 14622 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)Br)O 62a_100000725334_100009817552 [0,2,0,0,0,0|2,0,0]=4 14623 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)Br)O 62a_100009817552_100000725334 [0,2,0,0,0,0|2,0,0]=4 14624 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)Cl)N 62a_100009817552_200010233646 [0,2,0,0,0,0|2,0,0]=4 14625 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)Cl)N 62a_200010233646_100009817552 [0,2,0,0,0,0|2,0,0]=4 14626 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)Cl)O 62a_100009817552_100000721234 [0,2,0,0,0,0|2,0,0]=4 14627 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)F)Br 62a_100009817552_100010134343 [0,2,0,0,0,0|2,0,0]=4 14628 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)F)Br 62a_100010134343_100009817552 [0,2,0,0,0,0|2,0,0]=4 14629 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)F)N 62a_100009817552_100009856439 [0,2,0,0,0,0|2,0,0]=4 14630 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)F)N 62a_100009856439_100009817552 [0,2,0,0,0,0|2,0,0]=4 14631 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)F)O 62a_100009817552_100009819667 [0,2,0,0,0,0|2,0,0]=4 14632 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)F)O 62a_100009819667_100009817552 [0,2,0,0,0,0|2,0,0]=4 14633 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)N)F 62a_100009817552_100016091773 [0,2,0,0,0,0|2,0,0]=4 14634 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)N)F 62a_100016091773_100009817552 [0,2,0,0,0,0|2,0,0]=4 14635 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)N)N 62a_100000747239_100009817552 [0,2,0,0,0,0|2,0,0]=4 14636 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)N)O 62a_100000685527_100009817552 [0,2,0,0,0,0|2,0,0]=4 14637 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)N)O 62a_100009817552_100000685527 [0,2,0,0,0,0|2,0,0]=4 14638 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)O)F 62a_100009817552_100010729010 [0,2,0,0,0,0|2,0,0]=4 14639 B13R1.511 C[C@@H](O)CSc1ccc(c(n1)O)N 62a_100000718904_100009817552 [0,2,0,0,0,0|2,0,0]=4 14640 B13R1.511 C[C@@H](O)CSc1ccn(c(=O)c1)C 62a_100009817552_100009820031 [0,2,0,0,0,0|2,0,0]=4 14641 B13R1.511 C[C@@H](O)CSc1ccn(c(=O)c1)C 62a_100009820031_100009817552 [0,2,0,0,0,0|2,0,0]=4 14642 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Br)Cl 62a_100009817552_100010172733 [0,2,0,0,0,0|2,0,0]=4 14643 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100009817552 [0,2,0,0,0,0|2,0,0]=4 14644 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Br)N 62a_100009817552_100012353989 [0,2,0,0,0,0|2,0,0]=4 14645 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Br)N 62a_100012353989_100009817552 [0,2,0,0,0,0|2,0,0]=4 14646 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Cl)N 62a_100009817552_100012356299 [0,2,0,0,0,0|2,0,0]=4 14647 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Cl)N 62a_100012356299_100009817552 [0,2,0,0,0,0|2,0,0]=4 14648 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Cl)O 62a_100009817552_100010238531 [0,2,0,0,0,0|2,0,0]=4 14649 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Cl)O 62a_100010238531_100009817552 [0,2,0,0,0,0|2,0,0]=4 14650 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)F)F 62a_100009817552_100009817721 [0,2,0,0,0,0|2,0,0]=4 14651 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)F)F 62a_100009817721_100009817552 [0,2,0,0,0,0|2,0,0]=4 14652 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)F)N 62a_100000693161_100009817552 [0,2,0,0,0,0|2,0,0]=4 14653 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)F)N 62a_100009817552_100000693161 [0,2,0,0,0,0|2,0,0]=4 14654 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)Cl 62a_100009817552_100009828400 [0,2,0,0,0,0|2,0,0]=4 14655 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)Cl 62a_100009828400_100009817552 [0,2,0,0,0,0|2,0,0]=4 14656 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)F 62a_100009816798_100009817552 [0,2,0,0,0,0|2,0,0]=4 14657 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)F 62a_100009817552_100009816798 [0,2,0,0,0,0|2,0,0]=4 14658 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)N 62a_100000184470_100009817552 [0,2,0,0,0,0|2,0,0]=4 14659 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)N 62a_100009817552_100000184470 [0,2,0,0,0,0|2,0,0]=4 14660 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)O 62a_100000743729_100009817552 [0,2,0,0,0,0|2,0,0]=4 14661 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)O 62a_100009817552_100000743729 [0,2,0,0,0,0|2,0,0]=4 14662 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)O)F 62a_100009817552_100009819871 [0,2,0,0,0,0|2,0,0]=4 14663 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)O)F 62a_100009819871_100009817552 [0,2,0,0,0,0|2,0,0]=4 14664 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)O)N 62a_100009817552_100009819042 [0,2,0,0,0,0|2,0,0]=4 14665 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)O)N 62a_100009819042_100009817552 [0,2,0,0,0,0|2,0,0]=4 14666 B13R1.511 Cc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100009813585 [0,2,0,0,0,0|0,0,2]=4 14667 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 207a_100138425928_100000765772 [0,2,0,0,0,0|2,0,0]=4 14668 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 2230a_100015205234_100000210206 [0,2,0,0,0,0|2,0,0]=4 14669 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 2230a_100138425928_100000727479 [0,2,0,0,0,0|2,0,0]=4 14670 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 34a_100015205234_100000210206 [0,2,0,0,0,0|2,0,0]=4 14671 B13R1.511 Cc1cc(ccc1Br)CNC(C)C 34a_100138425928_100000727479 [0,2,0,0,0,0|2,0,0]=4 14672 B13R1.511 Cc1cc(ccc1Br)COC(C)C 34a_100000212225_100000727479 [0,2,0,0,0,0|2,0,0]=4 14673 B13R1.511 Cc1cc(ccc1Br)COC(C)C 34a_100000718852_100000210206 [0,2,0,0,0,0|2,0,0]=4 14674 B13R1.511 Cc1cc(ccc1Br)COC(C)C 7a_100000718852_100000210206 [0,2,0,0,0,0|2,0,0]=4 14675 B13R1.511 Cc1cc(ccc1Br)CSC(C)C 62a_100000210206_100000727479 [0,2,0,0,0,0|2,0,0]=4 14676 B13R1.511 Cc1cc(ccc1Br)CSC(C)C 62a_100000727479_100000210206 [0,2,0,0,0,0|2,0,0]=4 14677 B13R1.511 Cc1cc(ccc1Br)NCC(C)C 2230a_100000210723_100000210760 [0,2,0,0,0,0|2,0,0]=4 14678 B13R1.511 Cc1cc(ccc1Br)NCC(C)C 34a_100000210723_100000210624 [0,2,0,0,0,0|2,0,0]=4 14679 B13R1.511 Cc1cc(ccc1Br)NCC(C)C 7a_100000210723_100000210760 [0,2,0,0,0,0|2,0,0]=4 14680 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 2230a_100000210723_100011218427 [0,2,0,0,0,0|1,0,0]=3 14681 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 34a_100000210723_100011218427 [0,2,0,0,0,0|1,0,0]=3 14682 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 7a_100000210723_100011218427 [0,2,0,0,0,0|1,0,0]=3 14683 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 2230a_100000210723_100009817552 [0,2,0,0,0,0|1,0,0]=3 14684 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 34a_100000210723_100009817552 [0,2,0,0,0,0|1,0,0]=3 14685 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 7a_100000210723_100009817552 [0,2,0,0,0,0|1,0,0]=3 14686 B13R1.511 Cc1cc(ccc1Br)OCC(C)C 34a_100000690111_100000210624 [0,2,0,0,0,0|2,0,0]=4 14687 B13R1.511 Cc1cc(ccc1Br)OCC(C)C 7a_100000690111_100000210760 [0,2,0,0,0,0|2,0,0]=4 14688 B13R1.511 Cc1cc(ccc1Br)OCC(C)O 34a_100000690111_100011218427 [0,2,0,0,0,0|1,0,0]=3 14689 B13R1.511 Cc1cc(ccc1Br)OCC(C)O 7a_100000690111_100011218427 [0,2,0,0,0,0|1,0,0]=3 14690 B13R1.511 Cc1cc(ccc1Br)OC[C@@H](C)O 34a_100000690111_100009817552 [0,2,0,0,0,0|1,0,0]=3 14691 B13R1.511 Cc1cc(ccc1Br)OC[C@@H](C)O 7a_100000690111_100009817552 [0,2,0,0,0,0|1,0,0]=3 14692 B13R1.511 Cc1cc(ccc1Br)SCC(C)C 62a_100000210624_100009813585 [0,2,0,0,0,0|2,0,0]=4 14693 B13R1.511 Cc1cc(ccc1Br)SCC(C)C 62a_100009813585_100000210760 [0,2,0,0,0,0|2,0,0]=4 14694 B13R1.511 Cc1cc(ccc1Br)SCC(C)O 62a_100009813585_100011218427 [0,2,0,0,0,0|1,0,0]=3 14695 B13R1.511 Cc1cc(ccc1Br)SCC(C)O 62a_100011218427_100009813585 [0,2,0,0,0,0|1,0,0]=3 14696 B13R1.511 Cc1cc(ccc1Br)SC[C@@H](C)O 62a_100009813585_100009817552 [0,2,0,0,0,0|1,0,0]=3 14697 B13R1.511 Cc1cc(ccc1Br)SC[C@@H](C)O 62a_100009817552_100009813585 [0,2,0,0,0,0|1,0,0]=3 14698 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [0,2,0,0,0,0|0,0,2]=4 14699 B13R1.511 Cc1cc(ccc1Cl)CNC(C)C 207a_100138425928_100000698814 [0,2,0,0,0,0|2,0,0]=4 14700 B13R1.511 Cc1cc(ccc1Cl)CNC(C)C 2230a_100138425928_100012184735 [0,2,0,0,0,0|2,0,0]=4 14701 B13R1.511 Cc1cc(ccc1Cl)CNC(C)C 34a_100138425928_100012184735 [0,2,0,0,0,0|2,0,0]=4 14702 B13R1.511 Cc1cc(ccc1Cl)COC(C)C 34a_100000212225_100012184735 [0,2,0,0,0,0|2,0,0]=4 14703 B13R1.511 Cc1cc(ccc1Cl)CSC(C)C 62a_100000210206_100012184735 [0,2,0,0,0,0|2,0,0]=4 14704 B13R1.511 Cc1cc(ccc1Cl)CSC(C)C 62a_100012184735_100000210206 [0,2,0,0,0,0|2,0,0]=4 14705 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 2230a_100000187808_100000210760 [0,2,0,0,0,0|2,0,0]=4 14706 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 34a_100000187808_100000210624 [0,2,0,0,0,0|2,0,0]=4 14707 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 7a_100000187808_100000210760 [0,2,0,0,0,0|2,0,0]=4 14708 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 2230a_100000187808_100011218427 [0,2,0,0,0,0|1,0,0]=3 14709 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 34a_100000187808_100011218427 [0,2,0,0,0,0|1,0,0]=3 14710 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 7a_100000187808_100011218427 [0,2,0,0,0,0|1,0,0]=3 14711 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 2230a_100000187808_100009817552 [0,2,0,0,0,0|1,0,0]=3 14712 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 34a_100000187808_100009817552 [0,2,0,0,0,0|1,0,0]=3 14713 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 7a_100000187808_100009817552 [0,2,0,0,0,0|1,0,0]=3 14714 B13R1.511 Cc1cc(ccc1Cl)OCC(C)C 34a_100000211092_100000210624 [0,2,0,0,0,0|2,0,0]=4 14715 B13R1.511 Cc1cc(ccc1Cl)OCC(C)C 7a_100000211092_100000210760 [0,2,0,0,0,0|2,0,0]=4 14716 B13R1.511 Cc1cc(ccc1Cl)OCC(C)O 34a_100000211092_100011218427 [0,2,0,0,0,0|1,0,0]=3 14717 B13R1.511 Cc1cc(ccc1Cl)OCC(C)O 7a_100000211092_100011218427 [0,2,0,0,0,0|1,0,0]=3 14718 B13R1.511 Cc1cc(ccc1Cl)OC[C@@H](C)O 34a_100000211092_100009817552 [0,2,0,0,0,0|1,0,0]=3 14719 B13R1.511 Cc1cc(ccc1Cl)OC[C@@H](C)O 7a_100000211092_100009817552 [0,2,0,0,0,0|1,0,0]=3 14720 B13R1.511 Cc1cc(ccc1Cl)SCC(C)C 62a_100000049509_100000210760 [0,2,0,0,0,0|2,0,0]=4 14721 B13R1.511 Cc1cc(ccc1Cl)SCC(C)C 62a_100000210624_100000049509 [0,2,0,0,0,0|2,0,0]=4 14722 B13R1.511 Cc1cc(ccc1Cl)SCC(C)O 62a_100000049509_100011218427 [0,2,0,0,0,0|1,0,0]=3 14723 B13R1.511 Cc1cc(ccc1Cl)SCC(C)O 62a_100011218427_100000049509 [0,2,0,0,0,0|1,0,0]=3 14724 B13R1.511 Cc1cc(ccc1Cl)SC[C@@H](C)O 62a_100000049509_100009817552 [0,2,0,0,0,0|1,0,0]=3 14725 B13R1.511 Cc1cc(ccc1Cl)SC[C@@H](C)O 62a_100009817552_100000049509 [0,2,0,0,0,0|1,0,0]=3 14726 B13R1.511 Cc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011218330 [0,2,0,0,0,0|0,0,2]=4 14727 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [0,2,0,0,0,0|0,0,2]=4 14728 B13R1.511 Cc1cc(ccc1F)CNC(C)C 207a_100138425928_100000748208 [0,2,0,0,0,0|2,0,0]=4 14729 B13R1.511 Cc1cc(ccc1F)CNC(C)C 2230a_100000239911_100000210206 [0,2,0,0,0,0|2,0,0]=4 14730 B13R1.511 Cc1cc(ccc1F)CNC(C)C 2230a_100138425928_100011216667 [0,2,0,0,0,0|2,0,0]=4 14731 B13R1.511 Cc1cc(ccc1F)CNC(C)C 34a_100000239911_100000210206 [0,2,0,0,0,0|2,0,0]=4 14732 B13R1.511 Cc1cc(ccc1F)CNC(C)C 34a_100138425928_100011216667 [0,2,0,0,0,0|2,0,0]=4 14733 B13R1.511 Cc1cc(ccc1F)COC(C)C 34a_100000212225_100011216667 [0,2,0,0,0,0|2,0,0]=4 14734 B13R1.511 Cc1cc(ccc1F)COC(C)C 34a_100011219793_100000210206 [0,2,0,0,0,0|2,0,0]=4 14735 B13R1.511 Cc1cc(ccc1F)COC(C)C 7a_100011219793_100000210206 [0,2,0,0,0,0|2,0,0]=4 14736 B13R1.511 Cc1cc(ccc1F)CSC(C)C 62a_100000210206_100011216667 [0,2,0,0,0,0|2,0,0]=4 14737 B13R1.511 Cc1cc(ccc1F)CSC(C)C 62a_100011216667_100000210206 [0,2,0,0,0,0|2,0,0]=4 14738 B13R1.511 Cc1cc(ccc1F)NCC(C)C 2230a_100000750164_100000210760 [0,2,0,0,0,0|2,0,0]=4 14739 B13R1.511 Cc1cc(ccc1F)NCC(C)C 34a_100000750164_100000210624 [0,2,0,0,0,0|2,0,0]=4 14740 B13R1.511 Cc1cc(ccc1F)NCC(C)C 7a_100000750164_100000210760 [0,2,0,0,0,0|2,0,0]=4 14741 B13R1.511 Cc1cc(ccc1F)NCC(C)O 2230a_100000750164_100011218427 [0,2,0,0,0,0|1,0,0]=3 14742 B13R1.511 Cc1cc(ccc1F)NCC(C)O 34a_100000750164_100011218427 [0,2,0,0,0,0|1,0,0]=3 14743 B13R1.511 Cc1cc(ccc1F)NCC(C)O 7a_100000750164_100011218427 [0,2,0,0,0,0|1,0,0]=3 14744 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 2230a_100000750164_100009817552 [0,2,0,0,0,0|1,0,0]=3 14745 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 34a_100000750164_100009817552 [0,2,0,0,0,0|1,0,0]=3 14746 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 7a_100000750164_100009817552 [0,2,0,0,0,0|1,0,0]=3 14747 B13R1.511 Cc1cc(ccc1F)OCC(C)C 34a_100000751312_100000210624 [0,2,0,0,0,0|2,0,0]=4 14748 B13R1.511 Cc1cc(ccc1F)OCC(C)C 7a_100000751312_100000210760 [0,2,0,0,0,0|2,0,0]=4 14749 B13R1.511 Cc1cc(ccc1F)OCC(C)O 34a_100000751312_100011218427 [0,2,0,0,0,0|1,0,0]=3 14750 B13R1.511 Cc1cc(ccc1F)OCC(C)O 7a_100000751312_100011218427 [0,2,0,0,0,0|1,0,0]=3 14751 B13R1.511 Cc1cc(ccc1F)OC[C@@H](C)O 34a_100000751312_100009817552 [0,2,0,0,0,0|1,0,0]=3 14752 B13R1.511 Cc1cc(ccc1F)OC[C@@H](C)O 7a_100000751312_100009817552 [0,2,0,0,0,0|1,0,0]=3 14753 B13R1.511 Cc1cc(ccc1F)SCC(C)C 62a_100000210624_100011218330 [0,2,0,0,0,0|2,0,0]=4 14754 B13R1.511 Cc1cc(ccc1F)SCC(C)C 62a_100011218330_100000210760 [0,2,0,0,0,0|2,0,0]=4 14755 B13R1.511 Cc1cc(ccc1F)SCC(C)O 62a_100011218330_100011218427 [0,2,0,0,0,0|1,0,0]=3 14756 B13R1.511 Cc1cc(ccc1F)SCC(C)O 62a_100011218427_100011218330 [0,2,0,0,0,0|1,0,0]=3 14757 B13R1.511 Cc1cc(ccc1F)SC[C@@H](C)O 62a_100009817552_100011218330 [0,2,0,0,0,0|1,0,0]=3 14758 B13R1.511 Cc1cc(ccc1F)SC[C@@H](C)O 62a_100011218330_100009817552 [0,2,0,0,0,0|1,0,0]=3 14759 B13R1.511 Cc1cc(ccc1I)NCC(C)C 34a_100000198070_100000210624 [0,2,0,0,0,0|2,0,0]=4 14760 B13R1.511 Cc1cc(ccc1I)NCC(C)C 7a_100000198070_100000210760 [0,2,0,0,0,0|2,0,0]=4 14761 B13R1.511 Cc1cc(ccc1I)NCC(C)O 34a_100000198070_100011218427 [0,2,0,0,0,0|1,0,0]=3 14762 B13R1.511 Cc1cc(ccc1I)NCC(C)O 7a_100000198070_100011218427 [0,2,0,0,0,0|1,0,0]=3 14763 B13R1.511 Cc1cc(ccc1I)NC[C@@H](C)O 34a_100000198070_100009817552 [0,2,0,0,0,0|1,0,0]=3 14764 B13R1.511 Cc1cc(ccc1I)NC[C@@H](C)O 7a_100000198070_100009817552 [0,2,0,0,0,0|1,0,0]=3 14765 B13R1.511 Cc1cc(ccc1I)OCC(C)C 34a_100000729255_100000210624 [0,2,0,0,0,0|2,0,0]=4 14766 B13R1.511 Cc1cc(ccc1I)OCC(C)C 7a_100000729255_100000210760 [0,2,0,0,0,0|2,0,0]=4 14767 B13R1.511 Cc1cc(ccc1I)OCC(C)O 34a_100000729255_100011218427 [0,2,0,0,0,0|1,0,0]=3 14768 B13R1.511 Cc1cc(ccc1I)OCC(C)O 7a_100000729255_100011218427 [0,2,0,0,0,0|1,0,0]=3 14769 B13R1.511 Cc1cc(ccc1I)OC[C@@H](C)O 34a_100000729255_100009817552 [0,2,0,0,0,0|1,0,0]=3 14770 B13R1.511 Cc1cc(ccc1I)OC[C@@H](C)O 7a_100000729255_100009817552 [0,2,0,0,0,0|1,0,0]=3 14771 B13R1.511 Cc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000211769 [0,2,0,0,0,0|0,0,2]=4 14772 B13R1.511 Cc1cc(ccc1N)COC(C)C 34a_200011997030_100000210206 [0,2,0,0,0,0|2,0,0]=4 14773 B13R1.511 Cc1cc(ccc1N)OCC(C)C 34a_100000756630_100000210624 [0,2,0,0,0,0|2,0,0]=4 14774 B13R1.511 Cc1cc(ccc1N)OCC(C)C 7a_100000756630_100000210760 [0,2,0,0,0,0|2,0,0]=4 14775 B13R1.511 Cc1cc(ccc1N)OCC(C)O 34a_100000756630_100011218427 [0,2,0,0,0,0|1,0,0]=3 14776 B13R1.511 Cc1cc(ccc1N)OCC(C)O 7a_100000756630_100011218427 [0,2,0,0,0,0|1,0,0]=3 14777 B13R1.511 Cc1cc(ccc1N)OC[C@@H](C)O 34a_100000756630_100009817552 [0,2,0,0,0,0|1,0,0]=3 14778 B13R1.511 Cc1cc(ccc1N)OC[C@@H](C)O 7a_100000756630_100009817552 [0,2,0,0,0,0|1,0,0]=3 14779 B13R1.511 Cc1cc(ccc1N)SCC(C)C 62a_100000210624_100000211769 [0,2,0,0,0,0|2,0,0]=4 14780 B13R1.511 Cc1cc(ccc1N)SCC(C)C 62a_100000211769_100000210760 [0,2,0,0,0,0|2,0,0]=4 14781 B13R1.511 Cc1cc(ccc1N)SCC(C)O 62a_100000211769_100011218427 [0,2,0,0,0,0|1,0,0]=3 14782 B13R1.511 Cc1cc(ccc1N)SCC(C)O 62a_100011218427_100000211769 [0,2,0,0,0,0|1,0,0]=3 14783 B13R1.511 Cc1cc(ccc1N)SC[C@@H](C)O 62a_100000211769_100009817552 [0,2,0,0,0,0|1,0,0]=3 14784 B13R1.511 Cc1cc(ccc1N)SC[C@@H](C)O 62a_100009817552_100000211769 [0,2,0,0,0,0|1,0,0]=3 14785 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [0,2,0,0,0,0|0,0,2]=4 14786 B13R1.511 Cc1cc(ccc1O)NCC(C)C 34a_100011218179_100000210624 [0,2,0,0,0,0|2,0,0]=4 14787 B13R1.511 Cc1cc(ccc1O)NCC(C)C 7a_100011218179_100000210760 [0,2,0,0,0,0|2,0,0]=4 14788 B13R1.511 Cc1cc(ccc1O)NCC(C)O 34a_100011218179_100011218427 [0,2,0,0,0,0|1,0,0]=3 14789 B13R1.511 Cc1cc(ccc1O)NCC(C)O 7a_100011218179_100011218427 [0,2,0,0,0,0|1,0,0]=3 14790 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 34a_100011218179_100009817552 [0,2,0,0,0,0|1,0,0]=3 14791 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 7a_100011218179_100009817552 [0,2,0,0,0,0|1,0,0]=3 14792 B13R1.511 Cc1cc(ccc1O)SCC(C)C 62a_100000210624_100000186361 [0,2,0,0,0,0|2,0,0]=4 14793 B13R1.511 Cc1cc(ccc1O)SCC(C)O 62a_100011218427_100000186361 [0,2,0,0,0,0|1,0,0]=3 14794 B13R1.511 Cc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000186361 [0,2,0,0,0,0|1,0,0]=3 14795 B13R1.511 Cc1cc(cnc1Br)OCC(C)O 34a_100012000486_100011218427 [0,2,0,0,0,0|2,0,0]=4 14796 B13R1.511 Cc1cc(cnc1Br)OCC(C)O 7a_100012000486_100011218427 [0,2,0,0,0,0|2,0,0]=4 14797 B13R1.511 Cc1cc(cnc1Br)OC[C@@H](C)O 34a_100012000486_100009817552 [0,2,0,0,0,0|2,0,0]=4 14798 B13R1.511 Cc1cc(cnc1Br)OC[C@@H](C)O 7a_100012000486_100009817552 [0,2,0,0,0,0|2,0,0]=4 14799 B13R1.511 Cc1cc(cnc1Br)SCC(C)O 62a_100009816107_100011218427 [0,2,0,0,0,0|2,0,0]=4 14800 B13R1.511 Cc1cc(cnc1Br)SCC(C)O 62a_100011218427_100009816107 [0,2,0,0,0,0|2,0,0]=4 14801 B13R1.511 Cc1cc(cnc1Br)SC[C@@H](C)O 62a_100009816107_100009817552 [0,2,0,0,0,0|2,0,0]=4 14802 B13R1.511 Cc1cc(cnc1Br)SC[C@@H](C)O 62a_100009817552_100009816107 [0,2,0,0,0,0|2,0,0]=4 14803 B13R1.511 Cc1cc(cnc1C)OCC(C)O 34a_100009854398_100011218427 [0,2,0,0,0,0|2,0,0]=4 14804 B13R1.511 Cc1cc(cnc1C)OCC(C)O 7a_100009854398_100011218427 [0,2,0,0,0,0|2,0,0]=4 14805 B13R1.511 Cc1cc(cnc1C)OC[C@@H](C)O 34a_100009854398_100009817552 [0,2,0,0,0,0|2,0,0]=4 14806 B13R1.511 Cc1cc(cnc1C)OC[C@@H](C)O 7a_100009854398_100009817552 [0,2,0,0,0,0|2,0,0]=4 14807 B13R1.511 Cc1cc(cnc1C)SCC(C)O 62a_100000697892_100011218427 [0,2,0,0,0,0|2,0,0]=4 14808 B13R1.511 Cc1cc(cnc1C)SCC(C)O 62a_100011218427_100000697892 [0,2,0,0,0,0|2,0,0]=4 14809 B13R1.511 Cc1cc(cnc1C)SC[C@@H](C)O 62a_100000697892_100009817552 [0,2,0,0,0,0|2,0,0]=4 14810 B13R1.511 Cc1cc(cnc1C)SC[C@@H](C)O 62a_100009817552_100000697892 [0,2,0,0,0,0|2,0,0]=4 14811 B13R1.511 Cc1cc(cnc1Cl)OCC(C)O 34a_100012002680_100011218427 [0,2,0,0,0,0|2,0,0]=4 14812 B13R1.511 Cc1cc(cnc1Cl)OCC(C)O 7a_100012002680_100011218427 [0,2,0,0,0,0|2,0,0]=4 14813 B13R1.511 Cc1cc(cnc1Cl)OC[C@@H](C)O 34a_100012002680_100009817552 [0,2,0,0,0,0|2,0,0]=4 14814 B13R1.511 Cc1cc(cnc1Cl)OC[C@@H](C)O 7a_100012002680_100009817552 [0,2,0,0,0,0|2,0,0]=4 14815 B13R1.511 Cc1cc(cnc1Cl)SCC(C)O 62a_100009922867_100011218427 [0,2,0,0,0,0|2,0,0]=4 14816 B13R1.511 Cc1cc(cnc1Cl)SCC(C)O 62a_100011218427_100009922867 [0,2,0,0,0,0|2,0,0]=4 14817 B13R1.511 Cc1cc(cnc1Cl)SC[C@@H](C)O 62a_100009817552_100009922867 [0,2,0,0,0,0|2,0,0]=4 14818 B13R1.511 Cc1cc(cnc1Cl)SC[C@@H](C)O 62a_100009922867_100009817552 [0,2,0,0,0,0|2,0,0]=4 14819 B13R1.511 Cc1cc(cnc1F)OCC(C)O 34a_100000094615_100011218427 [0,2,0,0,0,0|2,0,0]=4 14820 B13R1.511 Cc1cc(cnc1F)OCC(C)O 7a_100000094615_100011218427 [0,2,0,0,0,0|2,0,0]=4 14821 B13R1.511 Cc1cc(cnc1F)OC[C@@H](C)O 34a_100000094615_100009817552 [0,2,0,0,0,0|2,0,0]=4 14822 B13R1.511 Cc1cc(cnc1F)OC[C@@H](C)O 7a_100000094615_100009817552 [0,2,0,0,0,0|2,0,0]=4 14823 B13R1.511 Cc1cc(cnc1F)SCC(C)O 62a_100000709442_100011218427 [0,2,0,0,0,0|2,0,0]=4 14824 B13R1.511 Cc1cc(cnc1F)SCC(C)O 62a_100011218427_100000709442 [0,2,0,0,0,0|2,0,0]=4 14825 B13R1.511 Cc1cc(cnc1F)SC[C@@H](C)O 62a_100000709442_100009817552 [0,2,0,0,0,0|2,0,0]=4 14826 B13R1.511 Cc1cc(cnc1F)SC[C@@H](C)O 62a_100009817552_100000709442 [0,2,0,0,0,0|2,0,0]=4 14827 B13R1.511 Cc1cc(cnc1N)SCC(C)O 62a_100000684428_100011218427 [0,2,0,0,0,0|2,0,0]=4 14828 B13R1.511 Cc1cc(cnc1N)SCC(C)O 62a_100011218427_100000684428 [0,2,0,0,0,0|2,0,0]=4 14829 B13R1.511 Cc1cc(cnc1N)SC[C@@H](C)O 62a_100000684428_100009817552 [0,2,0,0,0,0|2,0,0]=4 14830 B13R1.511 Cc1cc(cnc1N)SC[C@@H](C)O 62a_100009817552_100000684428 [0,2,0,0,0,0|2,0,0]=4 14831 B13R1.511 Cc1cc(cnc1O)SCC(C)O 62a_100000685391_100011218427 [0,2,0,0,0,0|2,0,0]=4 14832 B13R1.511 Cc1cc(cnc1O)SCC(C)O 62a_100011218427_100000685391 [0,2,0,0,0,0|2,0,0]=4 14833 B13R1.511 Cc1cc(cnc1O)SC[C@@H](C)O 62a_100000685391_100009817552 [0,2,0,0,0,0|2,0,0]=4 14834 B13R1.511 Cc1cc(cnc1O)SC[C@@H](C)O 62a_100009817552_100000685391 [0,2,0,0,0,0|2,0,0]=4 14835 B13R1.511 Cc1cc(ncc1Br)OCC(C)O 34a_100000766222_100011218427 [0,2,0,0,0,0|2,0,0]=4 14836 B13R1.511 Cc1cc(ncc1Br)OC[C@@H](C)O 34a_100000766222_100009817552 [0,2,0,0,0,0|2,0,0]=4 14837 B13R1.511 Cc1cc(ncc1Br)SCC(C)O 62a_100011218427_100012356354 [0,2,0,0,0,0|2,0,0]=4 14838 B13R1.511 Cc1cc(ncc1Br)SCC(C)O 62a_100012356354_100011218427 [0,2,0,0,0,0|2,0,0]=4 14839 B13R1.511 Cc1cc(ncc1Br)SC[C@@H](C)O 62a_100009817552_100012356354 [0,2,0,0,0,0|2,0,0]=4 14840 B13R1.511 Cc1cc(ncc1Br)SC[C@@H](C)O 62a_100012356354_100009817552 [0,2,0,0,0,0|2,0,0]=4 14841 B13R1.511 Cc1cc(ncc1Cl)OCC(C)O 34a_200000085746_100011218427 [0,2,0,0,0,0|2,0,0]=4 14842 B13R1.511 Cc1cc(ncc1Cl)OC[C@@H](C)O 34a_200000085746_100009817552 [0,2,0,0,0,0|2,0,0]=4 14843 B13R1.511 Cc1cc(ncc1F)SCC(C)O 62a_100009818257_100011218427 [0,2,0,0,0,0|2,0,0]=4 14844 B13R1.511 Cc1cc(ncc1F)SCC(C)O 62a_100011218427_100009818257 [0,2,0,0,0,0|2,0,0]=4 14845 B13R1.511 Cc1cc(ncc1F)SC[C@@H](C)O 62a_100009817552_100009818257 [0,2,0,0,0,0|2,0,0]=4 14846 B13R1.511 Cc1cc(ncc1F)SC[C@@H](C)O 62a_100009818257_100009817552 [0,2,0,0,0,0|2,0,0]=4 14847 B13R1.511 Cc1cc(ncc1N)SCC(C)O 62a_100000067204_100011218427 [0,2,0,0,0,0|2,0,0]=4 14848 B13R1.511 Cc1cc(ncc1N)SCC(C)O 62a_100011218427_100000067204 [0,2,0,0,0,0|2,0,0]=4 14849 B13R1.511 Cc1cc(ncc1N)SC[C@@H](C)O 62a_100000067204_100009817552 [0,2,0,0,0,0|2,0,0]=4 14850 B13R1.511 Cc1cc(ncc1N)SC[C@@H](C)O 62a_100009817552_100000067204 [0,2,0,0,0,0|2,0,0]=4 14851 B13R1.511 Cc1cc(ncc1O)SCC(C)O 62a_100011218427_100000692680 [0,2,0,0,0,0|2,0,0]=4 14852 B13R1.511 Cc1cc(ncc1O)SC[C@@H](C)O 62a_100009817552_100000692680 [0,2,0,0,0,0|2,0,0]=4 14853 B13R1.511 Cc1ccc(c[n+]1[O-])SCC(C)O 62a_100011218427_100000703231 [0,2,0,0,0,0|2,0,0]=4 14854 B13R1.511 Cc1ccc(c[n+]1[O-])SC[C@@H](C)O 62a_100009817552_100000703231 [0,2,0,0,0,0|2,0,0]=4 14855 B13R1.511 Cc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011847877 [0,2,0,0,0,0|0,0,2]=4 14856 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [0,2,0,0,0,0|0,0,2]=4 14857 B13R1.511 Cc1ccc(cc1Br)CNC(C)C 207a_100138425928_100000695567 [0,2,0,0,0,0|2,0,0]=4 14858 B13R1.511 Cc1ccc(cc1Br)CNC(C)C 2230a_100138425928_100012232412 [0,2,0,0,0,0|2,0,0]=4 14859 B13R1.511 Cc1ccc(cc1Br)CNC(C)C 34a_100138425928_100012232412 [0,2,0,0,0,0|2,0,0]=4 14860 B13R1.511 Cc1ccc(cc1Br)COC(C)C 34a_100000212225_100012232412 [0,2,0,0,0,0|2,0,0]=4 14861 B13R1.511 Cc1ccc(cc1Br)COC(C)C 34a_100000708995_100000210206 [0,2,0,0,0,0|2,0,0]=4 14862 B13R1.511 Cc1ccc(cc1Br)COC(C)C 7a_100000708995_100000210206 [0,2,0,0,0,0|2,0,0]=4 14863 B13R1.511 Cc1ccc(cc1Br)CSC(C)C 62a_100000210206_100012232412 [0,2,0,0,0,0|2,0,0]=4 14864 B13R1.511 Cc1ccc(cc1Br)CSC(C)C 62a_100012232412_100000210206 [0,2,0,0,0,0|2,0,0]=4 14865 B13R1.511 Cc1ccc(cc1Br)NCC(C)C 2230a_100000736455_100000210760 [0,2,0,0,0,0|2,0,0]=4 14866 B13R1.511 Cc1ccc(cc1Br)NCC(C)C 34a_100000736455_100000210624 [0,2,0,0,0,0|2,0,0]=4 14867 B13R1.511 Cc1ccc(cc1Br)NCC(C)C 7a_100000736455_100000210760 [0,2,0,0,0,0|2,0,0]=4 14868 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 2230a_100000736455_100011218427 [0,2,0,0,0,0|1,0,0]=3 14869 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 34a_100000736455_100011218427 [0,2,0,0,0,0|1,0,0]=3 14870 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 7a_100000736455_100011218427 [0,2,0,0,0,0|1,0,0]=3 14871 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 2230a_100000736455_100009817552 [0,2,0,0,0,0|1,0,0]=3 14872 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 34a_100000736455_100009817552 [0,2,0,0,0,0|1,0,0]=3 14873 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 7a_100000736455_100009817552 [0,2,0,0,0,0|1,0,0]=3 14874 B13R1.511 Cc1ccc(cc1Br)OCC(C)C 34a_100011380479_100000210624 [0,2,0,0,0,0|2,0,0]=4 14875 B13R1.511 Cc1ccc(cc1Br)OCC(C)C 7a_100011380479_100000210760 [0,2,0,0,0,0|2,0,0]=4 14876 B13R1.511 Cc1ccc(cc1Br)OCC(C)O 34a_100011380479_100011218427 [0,2,0,0,0,0|1,0,0]=3 14877 B13R1.511 Cc1ccc(cc1Br)OCC(C)O 7a_100011380479_100011218427 [0,2,0,0,0,0|1,0,0]=3 14878 B13R1.511 Cc1ccc(cc1Br)OC[C@@H](C)O 34a_100011380479_100009817552 [0,2,0,0,0,0|1,0,0]=3 14879 B13R1.511 Cc1ccc(cc1Br)OC[C@@H](C)O 7a_100011380479_100009817552 [0,2,0,0,0,0|1,0,0]=3 14880 B13R1.511 Cc1ccc(cc1Br)SCC(C)C 62a_100000210624_100011847877 [0,2,0,0,0,0|2,0,0]=4 14881 B13R1.511 Cc1ccc(cc1Br)SCC(C)C 62a_100011847877_100000210760 [0,2,0,0,0,0|2,0,0]=4 14882 B13R1.511 Cc1ccc(cc1Br)SCC(C)O 62a_100011218427_100011847877 [0,2,0,0,0,0|1,0,0]=3 14883 B13R1.511 Cc1ccc(cc1Br)SCC(C)O 62a_100011847877_100011218427 [0,2,0,0,0,0|1,0,0]=3 14884 B13R1.511 Cc1ccc(cc1Br)SC[C@@H](C)O 62a_100009817552_100011847877 [0,2,0,0,0,0|1,0,0]=3 14885 B13R1.511 Cc1ccc(cc1Br)SC[C@@H](C)O 62a_100011847877_100009817552 [0,2,0,0,0,0|1,0,0]=3 14886 B13R1.511 Cc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011215607 [0,2,0,0,0,0|0,0,2]=4 14887 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [0,2,0,0,0,0|0,0,2]=4 14888 B13R1.511 Cc1ccc(cc1C)CNC(C)C 207a_100138425928_100000229942 [0,2,0,0,0,0|2,0,0]=4 14889 B13R1.511 Cc1ccc(cc1C)CNC(C)C 2230a_100025706692_100000210206 [0,2,0,0,0,0|2,0,0]=4 14890 B13R1.511 Cc1ccc(cc1C)CNC(C)C 2230a_100138425928_100000742320 [0,2,0,0,0,0|2,0,0]=4 14891 B13R1.511 Cc1ccc(cc1C)CNC(C)C 34a_100025706692_100000210206 [0,2,0,0,0,0|2,0,0]=4 14892 B13R1.511 Cc1ccc(cc1C)CNC(C)C 34a_100138425928_100000742320 [0,2,0,0,0,0|2,0,0]=4 14893 B13R1.511 Cc1ccc(cc1C)COC(C)C 34a_100000212225_100000742320 [0,2,0,0,0,0|2,0,0]=4 14894 B13R1.511 Cc1ccc(cc1C)COC(C)C 34a_100011215342_100000210206 [0,2,0,0,0,0|2,0,0]=4 14895 B13R1.511 Cc1ccc(cc1C)COC(C)C 7a_100011215342_100000210206 [0,2,0,0,0,0|2,0,0]=4 14896 B13R1.511 Cc1ccc(cc1C)CSC(C)C 62a_100000210206_100000742320 [0,2,0,0,0,0|2,0,0]=4 14897 B13R1.511 Cc1ccc(cc1C)CSC(C)C 62a_100000742320_100000210206 [0,2,0,0,0,0|2,0,0]=4 14898 B13R1.511 Cc1ccc(cc1C)NCC(C)C 2230a_100000724040_100000210760 [0,2,0,0,0,0|2,0,0]=4 14899 B13R1.511 Cc1ccc(cc1C)NCC(C)C 34a_100000724040_100000210624 [0,2,0,0,0,0|2,0,0]=4 14900 B13R1.511 Cc1ccc(cc1C)NCC(C)C 7a_100000724040_100000210760 [0,2,0,0,0,0|2,0,0]=4 14901 B13R1.511 Cc1ccc(cc1C)NCC(C)O 2230a_100000724040_100011218427 [0,2,0,0,0,0|1,0,0]=3 14902 B13R1.511 Cc1ccc(cc1C)NCC(C)O 34a_100000724040_100011218427 [0,2,0,0,0,0|1,0,0]=3 14903 B13R1.511 Cc1ccc(cc1C)NCC(C)O 7a_100000724040_100011218427 [0,2,0,0,0,0|1,0,0]=3 14904 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 2230a_100000724040_100009817552 [0,2,0,0,0,0|1,0,0]=3 14905 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 34a_100000724040_100009817552 [0,2,0,0,0,0|1,0,0]=3 14906 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 7a_100000724040_100009817552 [0,2,0,0,0,0|1,0,0]=3 14907 B13R1.511 Cc1ccc(cc1C)OCC(C)C 34a_100000210932_100000210624 [0,2,0,0,0,0|2,0,0]=4 14908 B13R1.511 Cc1ccc(cc1C)OCC(C)C 7a_100000210932_100000210760 [0,2,0,0,0,0|2,0,0]=4 14909 B13R1.511 Cc1ccc(cc1C)OCC(C)O 34a_100000210932_100011218427 [0,2,0,0,0,0|1,0,0]=3 14910 B13R1.511 Cc1ccc(cc1C)OCC(C)O 7a_100000210932_100011218427 [0,2,0,0,0,0|1,0,0]=3 14911 B13R1.511 Cc1ccc(cc1C)OC[C@@H](C)O 34a_100000210932_100009817552 [0,2,0,0,0,0|1,0,0]=3 14912 B13R1.511 Cc1ccc(cc1C)OC[C@@H](C)O 7a_100000210932_100009817552 [0,2,0,0,0,0|1,0,0]=3 14913 B13R1.511 Cc1ccc(cc1C)SCC(C)C 62a_100000210624_100011215607 [0,2,0,0,0,0|2,0,0]=4 14914 B13R1.511 Cc1ccc(cc1C)SCC(C)C 62a_100011215607_100000210760 [0,2,0,0,0,0|2,0,0]=4 14915 B13R1.511 Cc1ccc(cc1C)SCC(C)O 62a_100011215607_100011218427 [0,2,0,0,0,0|1,0,0]=3 14916 B13R1.511 Cc1ccc(cc1C)SCC(C)O 62a_100011218427_100011215607 [0,2,0,0,0,0|1,0,0]=3 14917 B13R1.511 Cc1ccc(cc1C)SC[C@@H](C)O 62a_100009817552_100011215607 [0,2,0,0,0,0|1,0,0]=3 14918 B13R1.511 Cc1ccc(cc1C)SC[C@@H](C)O 62a_100011215607_100009817552 [0,2,0,0,0,0|1,0,0]=3 14919 B13R1.511 Cc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100011216363 [0,2,0,0,0,0|0,0,2]=4 14920 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 207a_100138425928_100000760539 [0,2,0,0,0,0|2,0,0]=4 14921 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 2230a_100138425928_100011823929 [0,2,0,0,0,0|2,0,0]=4 14922 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 2230a_102495364989_100000210206 [0,2,0,0,0,0|2,0,0]=4 14923 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 34a_100138425928_100011823929 [0,2,0,0,0,0|2,0,0]=4 14924 B13R1.511 Cc1ccc(cc1Cl)CNC(C)C 34a_102495364989_100000210206 [0,2,0,0,0,0|2,0,0]=4 14925 B13R1.511 Cc1ccc(cc1Cl)COC(C)C 34a_100000212225_100011823929 [0,2,0,0,0,0|2,0,0]=4 14926 B13R1.511 Cc1ccc(cc1Cl)COC(C)C 34a_100011290783_100000210206 [0,2,0,0,0,0|2,0,0]=4 14927 B13R1.511 Cc1ccc(cc1Cl)COC(C)C 7a_100011290783_100000210206 [0,2,0,0,0,0|2,0,0]=4 14928 B13R1.511 Cc1ccc(cc1Cl)CSC(C)C 62a_100000210206_100011823929 [0,2,0,0,0,0|2,0,0]=4 14929 B13R1.511 Cc1ccc(cc1Cl)CSC(C)C 62a_100011823929_100000210206 [0,2,0,0,0,0|2,0,0]=4 14930 B13R1.511 Cc1ccc(cc1Cl)NCC(C)C 2230a_100000188892_100000210760 [0,2,0,0,0,0|2,0,0]=4 14931 B13R1.511 Cc1ccc(cc1Cl)NCC(C)C 34a_100000188892_100000210624 [0,2,0,0,0,0|2,0,0]=4 14932 B13R1.511 Cc1ccc(cc1Cl)NCC(C)C 7a_100000188892_100000210760 [0,2,0,0,0,0|2,0,0]=4 14933 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 2230a_100000188892_100011218427 [0,2,0,0,0,0|1,0,0]=3 14934 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 34a_100000188892_100011218427 [0,2,0,0,0,0|1,0,0]=3 14935 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 7a_100000188892_100011218427 [0,2,0,0,0,0|1,0,0]=3 14936 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 2230a_100000188892_100009817552 [0,2,0,0,0,0|1,0,0]=3 14937 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 34a_100000188892_100009817552 [0,2,0,0,0,0|1,0,0]=3 14938 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 7a_100000188892_100009817552 [0,2,0,0,0,0|1,0,0]=3 14939 B13R1.511 Cc1ccc(cc1Cl)OCC(C)C 34a_100011265682_100000210624 [0,2,0,0,0,0|2,0,0]=4 14940 B13R1.511 Cc1ccc(cc1Cl)OCC(C)C 7a_100011265682_100000210760 [0,2,0,0,0,0|2,0,0]=4 14941 B13R1.511 Cc1ccc(cc1Cl)OCC(C)O 34a_100011265682_100011218427 [0,2,0,0,0,0|1,0,0]=3 14942 B13R1.511 Cc1ccc(cc1Cl)OCC(C)O 7a_100011265682_100011218427 [0,2,0,0,0,0|1,0,0]=3 14943 B13R1.511 Cc1ccc(cc1Cl)OC[C@@H](C)O 34a_100011265682_100009817552 [0,2,0,0,0,0|1,0,0]=3 14944 B13R1.511 Cc1ccc(cc1Cl)OC[C@@H](C)O 7a_100011265682_100009817552 [0,2,0,0,0,0|1,0,0]=3 14945 B13R1.511 Cc1ccc(cc1Cl)SCC(C)C 62a_100000210624_100011216363 [0,2,0,0,0,0|2,0,0]=4 14946 B13R1.511 Cc1ccc(cc1Cl)SCC(C)C 62a_100011216363_100000210760 [0,2,0,0,0,0|2,0,0]=4 14947 B13R1.511 Cc1ccc(cc1Cl)SCC(C)O 62a_100011216363_100011218427 [0,2,0,0,0,0|1,0,0]=3 14948 B13R1.511 Cc1ccc(cc1Cl)SCC(C)O 62a_100011218427_100011216363 [0,2,0,0,0,0|1,0,0]=3 14949 B13R1.511 Cc1ccc(cc1Cl)SC[C@@H](C)O 62a_100009817552_100011216363 [0,2,0,0,0,0|1,0,0]=3 14950 B13R1.511 Cc1ccc(cc1Cl)SC[C@@H](C)O 62a_100011216363_100009817552 [0,2,0,0,0,0|1,0,0]=3 14951 B13R1.511 Cc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000720648 [0,2,0,0,0,0|0,0,2]=4 14952 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [0,2,0,0,0,0|0,0,2]=4 14953 B13R1.511 Cc1ccc(cc1F)CNC(C)C 207a_100138425928_100000753222 [0,2,0,0,0,0|2,0,0]=4 14954 B13R1.511 Cc1ccc(cc1F)CNC(C)C 2230a_100102708794_100000210206 [0,2,0,0,0,0|2,0,0]=4 14955 B13R1.511 Cc1ccc(cc1F)CNC(C)C 2230a_100138425928_100011217369 [0,2,0,0,0,0|2,0,0]=4 14956 B13R1.511 Cc1ccc(cc1F)CNC(C)C 34a_100102708794_100000210206 [0,2,0,0,0,0|2,0,0]=4 14957 B13R1.511 Cc1ccc(cc1F)CNC(C)C 34a_100138425928_100011217369 [0,2,0,0,0,0|2,0,0]=4 14958 B13R1.511 Cc1ccc(cc1F)COC(C)C 34a_100000212225_100011217369 [0,2,0,0,0,0|2,0,0]=4 14959 B13R1.511 Cc1ccc(cc1F)COC(C)C 34a_100000702247_100000210206 [0,2,0,0,0,0|2,0,0]=4 14960 B13R1.511 Cc1ccc(cc1F)COC(C)C 7a_100000702247_100000210206 [0,2,0,0,0,0|2,0,0]=4 14961 B13R1.511 Cc1ccc(cc1F)CSC(C)C 62a_100000210206_100011217369 [0,2,0,0,0,0|2,0,0]=4 14962 B13R1.511 Cc1ccc(cc1F)CSC(C)C 62a_100011217369_100000210206 [0,2,0,0,0,0|2,0,0]=4 14963 B13R1.511 Cc1ccc(cc1F)NCC(C)C 2230a_100000210958_100000210760 [0,2,0,0,0,0|2,0,0]=4 14964 B13R1.511 Cc1ccc(cc1F)NCC(C)C 34a_100000210958_100000210624 [0,2,0,0,0,0|2,0,0]=4 14965 B13R1.511 Cc1ccc(cc1F)NCC(C)C 7a_100000210958_100000210760 [0,2,0,0,0,0|2,0,0]=4 14966 B13R1.511 Cc1ccc(cc1F)NCC(C)O 2230a_100000210958_100011218427 [0,2,0,0,0,0|1,0,0]=3 14967 B13R1.511 Cc1ccc(cc1F)NCC(C)O 34a_100000210958_100011218427 [0,2,0,0,0,0|1,0,0]=3 14968 B13R1.511 Cc1ccc(cc1F)NCC(C)O 7a_100000210958_100011218427 [0,2,0,0,0,0|1,0,0]=3 14969 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 2230a_100000210958_100009817552 [0,2,0,0,0,0|1,0,0]=3 14970 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 34a_100000210958_100009817552 [0,2,0,0,0,0|1,0,0]=3 14971 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 7a_100000210958_100009817552 [0,2,0,0,0,0|1,0,0]=3 14972 B13R1.511 Cc1ccc(cc1F)OCC(C)C 34a_100000722560_100000210624 [0,2,0,0,0,0|2,0,0]=4 14973 B13R1.511 Cc1ccc(cc1F)OCC(C)C 7a_100000722560_100000210760 [0,2,0,0,0,0|2,0,0]=4 14974 B13R1.511 Cc1ccc(cc1F)OCC(C)O 34a_100000722560_100011218427 [0,2,0,0,0,0|1,0,0]=3 14975 B13R1.511 Cc1ccc(cc1F)OCC(C)O 7a_100000722560_100011218427 [0,2,0,0,0,0|1,0,0]=3 14976 B13R1.511 Cc1ccc(cc1F)OC[C@@H](C)O 34a_100000722560_100009817552 [0,2,0,0,0,0|1,0,0]=3 14977 B13R1.511 Cc1ccc(cc1F)OC[C@@H](C)O 7a_100000722560_100009817552 [0,2,0,0,0,0|1,0,0]=3 14978 B13R1.511 Cc1ccc(cc1F)SCC(C)C 62a_100000210624_100000720648 [0,2,0,0,0,0|2,0,0]=4 14979 B13R1.511 Cc1ccc(cc1F)SCC(C)C 62a_100000720648_100000210760 [0,2,0,0,0,0|2,0,0]=4 14980 B13R1.511 Cc1ccc(cc1F)SCC(C)O 62a_100000720648_100011218427 [0,2,0,0,0,0|1,0,0]=3 14981 B13R1.511 Cc1ccc(cc1F)SCC(C)O 62a_100011218427_100000720648 [0,2,0,0,0,0|1,0,0]=3 14982 B13R1.511 Cc1ccc(cc1F)SC[C@@H](C)O 62a_100000720648_100009817552 [0,2,0,0,0,0|1,0,0]=3 14983 B13R1.511 Cc1ccc(cc1F)SC[C@@H](C)O 62a_100009817552_100000720648 [0,2,0,0,0,0|1,0,0]=3 14984 B13R1.511 Cc1ccc(cc1I)CNC(C)C 207a_100138425928_100010197721 [0,2,0,0,0,0|2,0,0]=4 14985 B13R1.511 Cc1ccc(cc1I)CNC(C)C 2230a_100138425928_100010206137 [0,2,0,0,0,0|2,0,0]=4 14986 B13R1.511 Cc1ccc(cc1I)CNC(C)C 34a_100138425928_100010206137 [0,2,0,0,0,0|2,0,0]=4 14987 B13R1.511 Cc1ccc(cc1I)COC(C)C 34a_100000050133_100000210206 [0,2,0,0,0,0|2,0,0]=4 14988 B13R1.511 Cc1ccc(cc1I)COC(C)C 34a_100000212225_100010206137 [0,2,0,0,0,0|2,0,0]=4 14989 B13R1.511 Cc1ccc(cc1I)COC(C)C 7a_100000050133_100000210206 [0,2,0,0,0,0|2,0,0]=4 14990 B13R1.511 Cc1ccc(cc1I)CSC(C)C 62a_100000210206_100010206137 [0,2,0,0,0,0|2,0,0]=4 14991 B13R1.511 Cc1ccc(cc1I)CSC(C)C 62a_100010206137_100000210206 [0,2,0,0,0,0|2,0,0]=4 14992 B13R1.511 Cc1ccc(cc1I)NCC(C)C 34a_100000184131_100000210624 [0,2,0,0,0,0|2,0,0]=4 14993 B13R1.511 Cc1ccc(cc1I)NCC(C)C 7a_100000184131_100000210760 [0,2,0,0,0,0|2,0,0]=4 14994 B13R1.511 Cc1ccc(cc1I)NCC(C)O 34a_100000184131_100011218427 [0,2,0,0,0,0|1,0,0]=3 14995 B13R1.511 Cc1ccc(cc1I)NCC(C)O 7a_100000184131_100011218427 [0,2,0,0,0,0|1,0,0]=3 14996 B13R1.511 Cc1ccc(cc1I)NC[C@@H](C)O 34a_100000184131_100009817552 [0,2,0,0,0,0|1,0,0]=3 14997 B13R1.511 Cc1ccc(cc1I)NC[C@@H](C)O 7a_100000184131_100009817552 [0,2,0,0,0,0|1,0,0]=3 14998 B13R1.511 Cc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000761890 [0,2,0,0,0,0|0,0,2]=4 14999 B13R1.511 Cc1ccc(cc1N)COC(C)C 34a_100000758420_100000210206 [0,2,0,0,0,0|2,0,0]=4 15000 B13R1.511 Cc1ccc(cc1N)OCC(C)C 34a_100011216113_100000210624 [0,2,0,0,0,0|2,0,0]=4 15001 B13R1.511 Cc1ccc(cc1N)OCC(C)C 7a_100011216113_100000210760 [0,2,0,0,0,0|2,0,0]=4 15002 B13R1.511 Cc1ccc(cc1N)OCC(C)O 34a_100011216113_100011218427 [0,2,0,0,0,0|1,0,0]=3 15003 B13R1.511 Cc1ccc(cc1N)OCC(C)O 7a_100011216113_100011218427 [0,2,0,0,0,0|1,0,0]=3 15004 B13R1.511 Cc1ccc(cc1N)OC[C@@H](C)O 34a_100011216113_100009817552 [0,2,0,0,0,0|1,0,0]=3 15005 B13R1.511 Cc1ccc(cc1N)OC[C@@H](C)O 7a_100011216113_100009817552 [0,2,0,0,0,0|1,0,0]=3 15006 B13R1.511 Cc1ccc(cc1N)SCC(C)C 62a_100000210624_100000761890 [0,2,0,0,0,0|2,0,0]=4 15007 B13R1.511 Cc1ccc(cc1N)SCC(C)C 62a_100000761890_100000210760 [0,2,0,0,0,0|2,0,0]=4 15008 B13R1.511 Cc1ccc(cc1N)SCC(C)O 62a_100000761890_100011218427 [0,2,0,0,0,0|1,0,0]=3 15009 B13R1.511 Cc1ccc(cc1N)SCC(C)O 62a_100011218427_100000761890 [0,2,0,0,0,0|1,0,0]=3 15010 B13R1.511 Cc1ccc(cc1N)SC[C@@H](C)O 62a_100000761890_100009817552 [0,2,0,0,0,0|1,0,0]=3 15011 B13R1.511 Cc1ccc(cc1N)SC[C@@H](C)O 62a_100009817552_100000761890 [0,2,0,0,0,0|1,0,0]=3 15012 B13R1.511 Cc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000766334 [0,2,0,0,0,0|0,0,2]=4 15013 B13R1.511 Cc1ccc(cc1O)NCC(C)C 34a_100000759471_100000210624 [0,2,0,0,0,0|2,0,0]=4 15014 B13R1.511 Cc1ccc(cc1O)NCC(C)C 7a_100000759471_100000210760 [0,2,0,0,0,0|2,0,0]=4 15015 B13R1.511 Cc1ccc(cc1O)NCC(C)O 34a_100000759471_100011218427 [0,2,0,0,0,0|1,0,0]=3 15016 B13R1.511 Cc1ccc(cc1O)NCC(C)O 7a_100000759471_100011218427 [0,2,0,0,0,0|1,0,0]=3 15017 B13R1.511 Cc1ccc(cc1O)NC[C@@H](C)O 34a_100000759471_100009817552 [0,2,0,0,0,0|1,0,0]=3 15018 B13R1.511 Cc1ccc(cc1O)NC[C@@H](C)O 7a_100000759471_100009817552 [0,2,0,0,0,0|1,0,0]=3 15019 B13R1.511 Cc1ccc(cc1O)SCC(C)C 62a_100000210624_100000685420 [0,2,0,0,0,0|2,0,0]=4 15020 B13R1.511 Cc1ccc(cc1O)SCC(C)C 62a_100000685420_100000210760 [0,2,0,0,0,0|2,0,0]=4 15021 B13R1.511 Cc1ccc(cc1O)SCC(C)O 62a_100000685420_100011218427 [0,2,0,0,0,0|1,0,0]=3 15022 B13R1.511 Cc1ccc(cc1O)SCC(C)O 62a_100011218427_100000685420 [0,2,0,0,0,0|1,0,0]=3 15023 B13R1.511 Cc1ccc(cc1O)SC[C@@H](C)O 62a_100000685420_100009817552 [0,2,0,0,0,0|1,0,0]=3 15024 B13R1.511 Cc1ccc(cc1O)SC[C@@H](C)O 62a_100009817552_100000685420 [0,2,0,0,0,0|1,0,0]=3 15025 B13R1.511 Cc1ccc(nc1C)SCC(C)O 62a_100000103781_100011218427 [0,2,0,0,0,0|2,0,0]=4 15026 B13R1.511 Cc1ccc(nc1C)SCC(C)O 62a_100011218427_100000103781 [0,2,0,0,0,0|2,0,0]=4 15027 B13R1.511 Cc1ccc(nc1C)SC[C@@H](C)O 62a_100000103781_100009817552 [0,2,0,0,0,0|2,0,0]=4 15028 B13R1.511 Cc1ccc(nc1C)SC[C@@H](C)O 62a_100009817552_100000103781 [0,2,0,0,0,0|2,0,0]=4 15029 B13R1.511 Cc1ccc(nc1N)SCC(C)O 62a_100009857032_100011218427 [0,2,0,0,0,0|2,0,0]=4 15030 B13R1.511 Cc1ccc(nc1N)SCC(C)O 62a_100011218427_100009857032 [0,2,0,0,0,0|2,0,0]=4 15031 B13R1.511 Cc1ccc(nc1N)SC[C@@H](C)O 62a_100009817552_100009857032 [0,2,0,0,0,0|2,0,0]=4 15032 B13R1.511 Cc1ccc(nc1N)SC[C@@H](C)O 62a_100009857032_100009817552 [0,2,0,0,0,0|2,0,0]=4 15033 B13R1.511 Cc1cnc(cc1Br)OCC(C)O 34a_100009831917_100011218427 [0,2,0,0,0,0|2,0,0]=4 15034 B13R1.511 Cc1cnc(cc1Br)OC[C@@H](C)O 34a_100009831917_100009817552 [0,2,0,0,0,0|2,0,0]=4 15035 B13R1.511 Cc1cnc(cc1C)SCC(C)O 62a_100009850809_100011218427 [0,2,0,0,0,0|2,0,0]=4 15036 B13R1.511 Cc1cnc(cc1C)SCC(C)O 62a_100011218427_100009850809 [0,2,0,0,0,0|2,0,0]=4 15037 B13R1.511 Cc1cnc(cc1C)SC[C@@H](C)O 62a_100009817552_100009850809 [0,2,0,0,0,0|2,0,0]=4 15038 B13R1.511 Cc1cnc(cc1C)SC[C@@H](C)O 62a_100009850809_100009817552 [0,2,0,0,0,0|2,0,0]=4 15039 B13R1.511 Cc1cnc(cc1F)NCC(C)O 27a_100000210904_100009841206 [0,2,0,0,0,0|2,0,0]=4 15040 B13R1.511 Cc1cnc(cc1F)SCC(C)O 62a_100009841206_100011218427 [0,2,0,0,0,0|2,0,0]=4 15041 B13R1.511 Cc1cnc(cc1F)SCC(C)O 62a_100011218427_100009841206 [0,2,0,0,0,0|2,0,0]=4 15042 B13R1.511 Cc1cnc(cc1F)SC[C@@H](C)O 62a_100009817552_100009841206 [0,2,0,0,0,0|2,0,0]=4 15043 B13R1.511 Cc1cnc(cc1F)SC[C@@H](C)O 62a_100009841206_100009817552 [0,2,0,0,0,0|2,0,0]=4 15044 B13R1.511 Cc1cnc(cc1N)SCC(C)O 62a_100000126663_100011218427 [0,2,0,0,0,0|2,0,0]=4 15045 B13R1.511 Cc1cnc(cc1N)SCC(C)O 62a_100011218427_100000126663 [0,2,0,0,0,0|2,0,0]=4 15046 B13R1.511 Cc1cnc(cc1N)SC[C@@H](C)O 62a_100000126663_100009817552 [0,2,0,0,0,0|2,0,0]=4 15047 B13R1.511 Cc1cnc(cc1N)SC[C@@H](C)O 62a_100009817552_100000126663 [0,2,0,0,0,0|2,0,0]=4 15048 B13R1.511 Cc1cnc(cc1O)SCC(C)O 62a_100000704368_100011218427 [0,2,0,0,0,0|2,0,0]=4 15049 B13R1.511 Cc1cnc(cc1O)SCC(C)O 62a_100011218427_100000704368 [0,2,0,0,0,0|2,0,0]=4 15050 B13R1.511 Cc1cnc(cc1O)SC[C@@H](C)O 62a_100000704368_100009817552 [0,2,0,0,0,0|2,0,0]=4 15051 B13R1.511 Cc1cnc(cc1O)SC[C@@H](C)O 62a_100009817552_100000704368 [0,2,0,0,0,0|2,0,0]=4 15052 B13R1.511 Cc1nc(ccc1Br)OCC(C)O 34a_100000691680_100011218427 [0,2,0,0,0,0|2,0,0]=4 15053 B13R1.511 Cc1nc(ccc1Br)OC[C@@H](C)O 34a_100000691680_100009817552 [0,2,0,0,0,0|2,0,0]=4 15054 B13R1.511 Cc1nc(ccc1Br)SCC(C)O 62a_100011218427_100012360386 [0,2,0,0,0,0|2,0,0]=4 15055 B13R1.511 Cc1nc(ccc1Br)SCC(C)O 62a_100012360386_100011218427 [0,2,0,0,0,0|2,0,0]=4 15056 B13R1.511 Cc1nc(ccc1Br)SC[C@@H](C)O 62a_100009817552_100012360386 [0,2,0,0,0,0|2,0,0]=4 15057 B13R1.511 Cc1nc(ccc1Br)SC[C@@H](C)O 62a_100012360386_100009817552 [0,2,0,0,0,0|2,0,0]=4 15058 B13R1.511 Cc1nc(ccc1Cl)OCC(C)O 34a_200009863735_100011218427 [0,2,0,0,0,0|2,0,0]=4 15059 B13R1.511 Cc1nc(ccc1Cl)OC[C@@H](C)O 34a_200009863735_100009817552 [0,2,0,0,0,0|2,0,0]=4 15060 B13R1.511 Cc1nc(ccc1F)SCC(C)O 62a_100009814307_100011218427 [0,2,0,0,0,0|2,0,0]=4 15061 B13R1.511 Cc1nc(ccc1F)SCC(C)O 62a_100011218427_100009814307 [0,2,0,0,0,0|2,0,0]=4 15062 B13R1.511 Cc1nc(ccc1F)SC[C@@H](C)O 62a_100009814307_100009817552 [0,2,0,0,0,0|2,0,0]=4 15063 B13R1.511 Cc1nc(ccc1F)SC[C@@H](C)O 62a_100009817552_100009814307 [0,2,0,0,0,0|2,0,0]=4 15064 B13R1.511 Cc1nc(ccc1N)SCC(C)O 62a_100000720120_100011218427 [0,2,0,0,0,0|2,0,0]=4 15065 B13R1.511 Cc1nc(ccc1N)SCC(C)O 62a_100011218427_100000720120 [0,2,0,0,0,0|2,0,0]=4 15066 B13R1.511 Cc1nc(ccc1N)SC[C@@H](C)O 62a_100000720120_100009817552 [0,2,0,0,0,0|2,0,0]=4 15067 B13R1.511 Cc1nc(ccc1N)SC[C@@H](C)O 62a_100009817552_100000720120 [0,2,0,0,0,0|2,0,0]=4 15068 B13R1.511 Cc1nc(ccc1O)SCC(C)O 62a_100010233687_100011218427 [0,2,0,0,0,0|2,0,0]=4 15069 B13R1.511 Cc1nc(ccc1O)SCC(C)O 62a_100011218427_100010233687 [0,2,0,0,0,0|2,0,0]=4 15070 B13R1.511 Cc1nc(ccc1O)SC[C@@H](C)O 62a_100009817552_100010233687 [0,2,0,0,0,0|2,0,0]=4 15071 B13R1.511 Cc1nc(ccc1O)SC[C@@H](C)O 62a_100010233687_100009817552 [0,2,0,0,0,0|2,0,0]=4 15072 B13R1.511 Cc1ncc(cc1Br)OCC(C)O 34a_100009819603_100011218427 [0,2,0,0,0,0|2,0,0]=4 15073 B13R1.511 Cc1ncc(cc1Br)OCC(C)O 7a_100009819603_100011218427 [0,2,0,0,0,0|2,0,0]=4 15074 B13R1.511 Cc1ncc(cc1Br)OC[C@@H](C)O 34a_100009819603_100009817552 [0,2,0,0,0,0|2,0,0]=4 15075 B13R1.511 Cc1ncc(cc1Br)OC[C@@H](C)O 7a_100009819603_100009817552 [0,2,0,0,0,0|2,0,0]=4 15076 B13R1.511 Cc1ncc(cc1F)SCC(C)O 62a_100009845756_100011218427 [0,2,0,0,0,0|2,0,0]=4 15077 B13R1.511 Cc1ncc(cc1F)SCC(C)O 62a_100011218427_100009845756 [0,2,0,0,0,0|2,0,0]=4 15078 B13R1.511 Cc1ncc(cc1F)SC[C@@H](C)O 62a_100009817552_100009845756 [0,2,0,0,0,0|2,0,0]=4 15079 B13R1.511 Cc1ncc(cc1F)SC[C@@H](C)O 62a_100009845756_100009817552 [0,2,0,0,0,0|2,0,0]=4 15080 B13R1.511 Cc1ncc(cc1N)SCC(C)O 62a_100011218427_100011999542 [0,2,0,0,0,0|2,0,0]=4 15081 B13R1.511 Cc1ncc(cc1N)SCC(C)O 62a_100011999542_100011218427 [0,2,0,0,0,0|2,0,0]=4 15082 B13R1.511 Cc1ncc(cc1N)SC[C@@H](C)O 62a_100009817552_100011999542 [0,2,0,0,0,0|2,0,0]=4 15083 B13R1.511 Cc1ncc(cc1N)SC[C@@H](C)O 62a_100011999542_100009817552 [0,2,0,0,0,0|2,0,0]=4 15084 B13R1.511 Cc1ncc(cc1O)SCC(C)O 62a_100009864810_100011218427 [0,2,0,0,0,0|2,0,0]=4 15085 B13R1.511 Cc1ncc(cc1O)SCC(C)O 62a_100011218427_100009864810 [0,2,0,0,0,0|2,0,0]=4 15086 B13R1.511 Cc1ncc(cc1O)SC[C@@H](C)O 62a_100009817552_100009864810 [0,2,0,0,0,0|2,0,0]=4 15087 B13R1.511 Cc1ncc(cc1O)SC[C@@H](C)O 62a_100009864810_100009817552 [0,2,0,0,0,0|2,0,0]=4 15088 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [0,2,0,0,0,0|0,0,2]=4 15089 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200025704644 [0,2,0,0,0,0|0,0,2]=4 15090 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200025704644 [0,2,0,0,0,0|0,0,2]=4 15091 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200025704644 [0,2,0,0,0,0|0,0,2]=4 15092 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200025704644 [0,2,0,0,0,0|0,0,2]=4 15093 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200025704644 [0,2,0,0,0,0|0,0,2]=4 15094 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200025704644 [0,2,0,0,0,0|0,0,2]=4 15095 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,2,0,0,0,0|0,0,2]=4 15096 B13R1.512 CC(C)(C)CNc1ccc(cc1)Br 34a_100000210018_100011219605 [0,2,0,0,0,0|2,0,0]=4 15097 B13R1.512 CC(C)(C)CNc1ccc(cc1)Cl 34a_100000210052_100011219605 [0,2,0,0,0,0|2,0,0]=4 15098 B13R1.512 CC(C)(C)CNc1ccc(cc1)F 34a_100000185862_100011219605 [0,2,0,0,0,0|2,0,0]=4 15099 B13R1.512 CC(C)(C)CNc1ccc(cc1)I 34a_100000185761_100011219605 [0,2,0,0,0,0|2,0,0]=4 15100 B13R1.512 CC(C)(C)CNc1ccc(cc1)O 34a_100000185829_100011219605 [0,2,0,0,0,0|2,0,0]=4 15101 B13R1.512 CC(C)(C)COc1ccc(cc1)Br 34a_100000185759_100011219605 [0,2,0,0,0,0|2,0,0]=4 15102 B13R1.512 CC(C)(C)COc1ccc(cc1)Cl 34a_100000210216_100011219605 [0,2,0,0,0,0|2,0,0]=4 15103 B13R1.512 CC(C)(C)COc1ccc(cc1)F 34a_100000210339_100011219605 [0,2,0,0,0,0|2,0,0]=4 15104 B13R1.512 CC(C)(C)COc1ccc(cc1)I 34a_100000212066_100011219605 [0,2,0,0,0,0|2,0,0]=4 15105 B13R1.512 CC(C)(C)COc1ccc(cc1)N 34a_100000185829_100011219605 [0,2,0,0,0,0|2,0,0]=4 15106 B13R1.512 CC(C)(C)COc1ccc(cc1)O 271570a_203496583355_200010229346 [0,2,0,0,0,0|2,0,0]=4 15107 B13R1.512 CC(C)(C)CSc1ccc(cc1)Br 62a_100000752885_100011219605 [0,2,0,0,0,0|2,0,0]=4 15108 B13R1.512 CC(C)(C)CSc1ccc(cc1)Br 62a_100011219605_100000752885 [0,2,0,0,0,0|2,0,0]=4 15109 B13R1.512 CC(C)(C)CSc1ccc(cc1)Cl 62a_100000755918_100011219605 [0,2,0,0,0,0|2,0,0]=4 15110 B13R1.512 CC(C)(C)CSc1ccc(cc1)Cl 62a_100011219605_100000755918 [0,2,0,0,0,0|2,0,0]=4 15111 B13R1.512 CC(C)(C)CSc1ccc(cc1)F 62a_100000211213_100011219605 [0,2,0,0,0,0|2,0,0]=4 15112 B13R1.512 CC(C)(C)CSc1ccc(cc1)F 62a_100011219605_100000211213 [0,2,0,0,0,0|2,0,0]=4 15113 B13R1.512 CC(C)(C)CSc1ccc(cc1)N 62a_100000185761_100011219605 [0,2,0,0,0,0|2,0,0]=4 15114 B13R1.512 CC(C)(C)CSc1ccc(cc1)N 62a_100011219605_100000185761 [0,2,0,0,0,0|2,0,0]=4 15115 B13R1.512 CC(C)(C)CSc1ccc(cc1)O 62a_100011219605_100000185759 [0,2,0,0,0,0|2,0,0]=4 15116 B13R1.512 CC(C)(C)NCc1ccc(cc1)Br 207a_100000715429_100000186029 [0,2,0,0,0,0|2,0,0]=4 15117 B13R1.512 CC(C)(C)NCc1ccc(cc1)Br 2230a_100000715429_100011217064 [0,2,0,0,0,0|2,0,0]=4 15118 B13R1.512 CC(C)(C)NCc1ccc(cc1)Br 34a_100000174875_100000210625 [0,2,0,0,0,0|2,0,0]=4 15119 B13R1.512 CC(C)(C)NCc1ccc(cc1)Cl 207a_100000715429_100000189385 [0,2,0,0,0,0|2,0,0]=4 15120 B13R1.512 CC(C)(C)NCc1ccc(cc1)Cl 2230a_100000715429_100000694040 [0,2,0,0,0,0|2,0,0]=4 15121 B13R1.512 CC(C)(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210625 [0,2,0,0,0,0|2,0,0]=4 15122 B13R1.512 CC(C)(C)NCc1ccc(cc1)F 207a_100000715429_100000210084 [0,2,0,0,0,0|2,0,0]=4 15123 B13R1.512 CC(C)(C)NCc1ccc(cc1)F 2230a_100000715429_100000198546 [0,2,0,0,0,0|2,0,0]=4 15124 B13R1.512 CC(C)(C)NCc1ccc(cc1)F 34a_100000174882_100000210625 [0,2,0,0,0,0|2,0,0]=4 15125 B13R1.512 CC(C)(C)NCc1ccc(cc1)I 207a_100000715429_100000188517 [0,2,0,0,0,0|2,0,0]=4 15126 B13R1.512 CC(C)(C)NCc1ccc(cc1)I 2230a_100000715429_100000189116 [0,2,0,0,0,0|2,0,0]=4 15127 B13R1.512 CC(C)(C)NCc1ccc(cc1)I 34a_100016989417_100000210625 [0,2,0,0,0,0|2,0,0]=4 15128 B13R1.512 CC(C)(C)NCc1ccc(cc1)O 271570a_203496583355_100000189139 [0,2,0,0,0,0|2,0,0]=4 15129 B13R1.512 CC(C)(C)NCc1ccc(cc1)O 34a_100000185549_100000210625 [0,2,0,0,0,0|2,0,0]=4 15130 B13R1.512 CC(C)(C)OCc1ccc(cc1)Br 34a_100000695286_100000210625 [0,2,0,0,0,0|2,0,0]=4 15131 B13R1.512 CC(C)(C)OCc1ccc(cc1)Br 34a_100015890283_100000189115 [0,2,0,0,0,0|2,0,0]=4 15132 B13R1.512 CC(C)(C)OCc1ccc(cc1)Br 7a_100015890283_100011217064 [0,2,0,0,0,0|2,0,0]=4 15133 B13R1.512 CC(C)(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210625 [0,2,0,0,0,0|2,0,0]=4 15134 B13R1.512 CC(C)(C)OCc1ccc(cc1)Cl 34a_100015890283_100000694040 [0,2,0,0,0,0|2,0,0]=4 15135 B13R1.512 CC(C)(C)OCc1ccc(cc1)Cl 7a_100015890283_100000187161 [0,2,0,0,0,0|2,0,0]=4 15136 B13R1.512 CC(C)(C)OCc1ccc(cc1)F 34a_100000210977_100000210625 [0,2,0,0,0,0|2,0,0]=4 15137 B13R1.512 CC(C)(C)OCc1ccc(cc1)F 34a_100015890283_100000198546 [0,2,0,0,0,0|2,0,0]=4 15138 B13R1.512 CC(C)(C)OCc1ccc(cc1)F 7a_100015890283_100000198546 [0,2,0,0,0,0|2,0,0]=4 15139 B13R1.512 CC(C)(C)OCc1ccc(cc1)I 34a_100000690907_100000210625 [0,2,0,0,0,0|2,0,0]=4 15140 B13R1.512 CC(C)(C)OCc1ccc(cc1)I 34a_100015890283_100000189116 [0,2,0,0,0,0|2,0,0]=4 15141 B13R1.512 CC(C)(C)OCc1ccc(cc1)I 7a_100015890283_100000189116 [0,2,0,0,0,0|2,0,0]=4 15142 B13R1.512 CC(C)(C)OCc1ccc(cc1)N 34a_100011215238_100000210625 [0,2,0,0,0,0|2,0,0]=4 15143 B13R1.512 CC(C)(C)OCc1ccc(cc1)O 271570a_203496583355_100011493771 [0,2,0,0,0,0|2,0,0]=4 15144 B13R1.512 CC(C)(C)SCc1ccc(cc1)Br 62a_100000189115_100000211941 [0,2,0,0,0,0|2,0,0]=4 15145 B13R1.512 CC(C)(C)SCc1ccc(cc1)Br 62a_100000211941_100000189115 [0,2,0,0,0,0|2,0,0]=4 15146 B13R1.512 CC(C)(C)SCc1ccc(cc1)Cl 62a_100000187161_100000211941 [0,2,0,0,0,0|2,0,0]=4 15147 B13R1.512 CC(C)(C)SCc1ccc(cc1)Cl 62a_100000211941_100000187161 [0,2,0,0,0,0|2,0,0]=4 15148 B13R1.512 CC(C)(C)SCc1ccc(cc1)F 62a_100000198546_100000211941 [0,2,0,0,0,0|2,0,0]=4 15149 B13R1.512 CC(C)(C)SCc1ccc(cc1)F 62a_100000211941_100000187164 [0,2,0,0,0,0|2,0,0]=4 15150 B13R1.512 CC(C)(C)SCc1ccc(cc1)I 62a_100000189116_100000211941 [0,2,0,0,0,0|2,0,0]=4 15151 B13R1.512 CC(C)(C)SCc1ccc(cc1)I 62a_100000211941_100000189116 [0,2,0,0,0,0|2,0,0]=4 15152 B13R1.512 CC(C)(F)CNc1ccc(cc1)Br 34a_100000210018_100011997219 [0,2,0,0,0,0|2,0,0]=4 15153 B13R1.512 CC(C)(F)CNc1ccc(cc1)Cl 34a_100000210052_100011997219 [0,2,0,0,0,0|2,0,0]=4 15154 B13R1.512 CC(C)(F)CNc1ccc(cc1)F 34a_100000185862_100011997219 [0,2,0,0,0,0|2,0,0]=4 15155 B13R1.512 CC(C)(F)CNc1ccc(cc1)I 34a_100000185761_100011997219 [0,2,0,0,0,0|2,0,0]=4 15156 B13R1.512 CC(C)(F)CNc1ccc(cc1)O 34a_100000185829_100011997219 [0,2,0,0,0,0|2,0,0]=4 15157 B13R1.512 CC(C)(F)COc1ccc(cc1)Br 34a_100000185759_100011997219 [0,2,0,0,0,0|2,0,0]=4 15158 B13R1.512 CC(C)(F)COc1ccc(cc1)Cl 34a_100000210216_100011997219 [0,2,0,0,0,0|2,0,0]=4 15159 B13R1.512 CC(C)(F)COc1ccc(cc1)F 34a_100000210339_100011997219 [0,2,0,0,0,0|2,0,0]=4 15160 B13R1.512 CC(C)(F)COc1ccc(cc1)I 34a_100000212066_100011997219 [0,2,0,0,0,0|2,0,0]=4 15161 B13R1.512 CC(C)(F)COc1ccc(cc1)N 34a_100000185829_100011997219 [0,2,0,0,0,0|2,0,0]=4 15162 B13R1.512 CC(C)(F)CSc1ccc(cc1)Br 62a_100000752885_100011997219 [0,2,0,0,0,0|2,0,0]=4 15163 B13R1.512 CC(C)(F)CSc1ccc(cc1)Br 62a_100011997219_100000752885 [0,2,0,0,0,0|2,0,0]=4 15164 B13R1.512 CC(C)(F)CSc1ccc(cc1)Cl 62a_100000755918_100011997219 [0,2,0,0,0,0|2,0,0]=4 15165 B13R1.512 CC(C)(F)CSc1ccc(cc1)Cl 62a_100011997219_100000755918 [0,2,0,0,0,0|2,0,0]=4 15166 B13R1.512 CC(C)(F)CSc1ccc(cc1)F 62a_100000211213_100011997219 [0,2,0,0,0,0|2,0,0]=4 15167 B13R1.512 CC(C)(F)CSc1ccc(cc1)F 62a_100011997219_100000211213 [0,2,0,0,0,0|2,0,0]=4 15168 B13R1.512 CC(C)(F)CSc1ccc(cc1)N 62a_100000185761_100011997219 [0,2,0,0,0,0|2,0,0]=4 15169 B13R1.512 CC(C)(F)CSc1ccc(cc1)N 62a_100011997219_100000185761 [0,2,0,0,0,0|2,0,0]=4 15170 B13R1.512 CC(C)(F)CSc1ccc(cc1)O 62a_100011997219_100000185759 [0,2,0,0,0,0|2,0,0]=4 15171 B13R1.512 CC(C)(O)C#Cc1ccc(cc1)O 271570a_203496583355_200009994073 [0,2,0,0,0,0|0,0,2]=4 15172 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)Br 271570a_200016258132_100000752885 [0,2,0,0,0,0|0,0,2]=4 15173 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)Cl 271570a_200016258132_100000755918 [0,2,0,0,0,0|0,0,2]=4 15174 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)F 271570a_200016258132_100000211213 [0,2,0,0,0,0|0,0,2]=4 15175 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)N 271570a_200016258132_100000185761 [0,2,0,0,0,0|0,0,2]=4 15176 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)O 271570a_200016258132_100000185759 [0,2,0,0,0,0|0,0,2]=4 15177 B13R1.512 CC(C)(O)CNc1ccc(cc1)Br 34a_100000210018_100000764493 [0,2,0,0,0,0|1,0,0]=3 15178 B13R1.512 CC(C)(O)CNc1ccc(cc1)Cl 34a_100000210052_100000764493 [0,2,0,0,0,0|1,0,0]=3 15179 B13R1.512 CC(C)(O)CNc1ccc(cc1)F 34a_100000185862_100000764493 [0,2,0,0,0,0|1,0,0]=3 15180 B13R1.512 CC(C)(O)CNc1ccc(cc1)I 34a_100000185761_100000764493 [0,2,0,0,0,0|1,0,0]=3 15181 B13R1.512 CC(C)(O)CNc1ccc(cc1)O 34a_100000185829_100000764493 [0,2,0,0,0,0|1,0,0]=3 15182 B13R1.512 CC(C)(O)CNc1ccc(cn1)Br 27a_100000751335_100000686858 [0,2,0,0,0,0|2,0,0]=4 15183 B13R1.512 CC(C)(O)COc1ccc(=O)[nH]c1 34a_100000075641_100000764493 [0,2,0,0,0,0|2,0,0]=4 15184 B13R1.512 CC(C)(O)COc1ccc(cc1)Br 34a_100000185759_100000764493 [0,2,0,0,0,0|1,0,0]=3 15185 B13R1.512 CC(C)(O)COc1ccc(cc1)Br 7a_100000185759_100000764493 [0,2,0,0,0,0|1,0,0]=3 15186 B13R1.512 CC(C)(O)COc1ccc(cc1)Cl 34a_100000210216_100000764493 [0,2,0,0,0,0|1,0,0]=3 15187 B13R1.512 CC(C)(O)COc1ccc(cc1)Cl 7a_100000210216_100000764493 [0,2,0,0,0,0|1,0,0]=3 15188 B13R1.512 CC(C)(O)COc1ccc(cc1)F 34a_100000210339_100000764493 [0,2,0,0,0,0|1,0,0]=3 15189 B13R1.512 CC(C)(O)COc1ccc(cc1)I 34a_100000212066_100000764493 [0,2,0,0,0,0|1,0,0]=3 15190 B13R1.512 CC(C)(O)COc1ccc(cc1)I 7a_100000212066_100000764493 [0,2,0,0,0,0|1,0,0]=3 15191 B13R1.512 CC(C)(O)COc1ccc(cc1)N 34a_100000185829_100000764493 [0,2,0,0,0,0|1,0,0]=3 15192 B13R1.512 CC(C)(O)COc1ccc(cn1)Cl 34a_100011215309_100000764493 [0,2,0,0,0,0|2,0,0]=4 15193 B13R1.512 CC(C)(O)COc1ccc(cn1)F 34a_100000742473_100000764493 [0,2,0,0,0,0|2,0,0]=4 15194 B13R1.512 CC(C)(O)COc1ccc(cn1)N 34a_100000729260_100000764493 [0,2,0,0,0,0|2,0,0]=4 15195 B13R1.512 CC(C)(O)COc1ccc(nc1)Br 34a_100000685995_100000764493 [0,2,0,0,0,0|2,0,0]=4 15196 B13R1.512 CC(C)(O)COc1ccc(nc1)Br 7a_100000685995_100000764493 [0,2,0,0,0,0|2,0,0]=4 15197 B13R1.512 CC(C)(O)COc1ccc(nc1)Cl 34a_100000744096_100000764493 [0,2,0,0,0,0|2,0,0]=4 15198 B13R1.512 CC(C)(O)COc1ccc(nc1)Cl 7a_100000744096_100000764493 [0,2,0,0,0,0|2,0,0]=4 15199 B13R1.512 CC(C)(O)COc1ccc(nc1)F 34a_100000688820_100000764493 [0,2,0,0,0,0|2,0,0]=4 15200 B13R1.512 CC(C)(O)COc1ccc(nc1)F 7a_100000688820_100000764493 [0,2,0,0,0,0|2,0,0]=4 15201 B13R1.512 CC(C)(O)COc1ccc(nc1)I 34a_100000687607_100000764493 [0,2,0,0,0,0|2,0,0]=4 15202 B13R1.512 CC(C)(O)COc1ccc(nc1)I 7a_100000687607_100000764493 [0,2,0,0,0,0|2,0,0]=4 15203 B13R1.512 CC(C)(O)COc1ccc(nc1)N 34a_100015188713_100000764493 [0,2,0,0,0,0|2,0,0]=4 15204 B13R1.512 CC(C)(O)COc1ccc(nc1)N 7a_100015188713_100000764493 [0,2,0,0,0,0|2,0,0]=4 15205 B13R1.512 CC(C)(O)CSc1cc[n+](cc1)[O-] 62a_100000764493_100000039755 [0,2,0,0,0,0|2,0,0]=4 15206 B13R1.512 CC(C)(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000764493 [0,2,0,0,0,0|2,0,0]=4 15207 B13R1.512 CC(C)(O)CSc1ccc(=O)[nH]c1 62a_100000764493_100000212171 [0,2,0,0,0,0|2,0,0]=4 15208 B13R1.512 CC(C)(O)CSc1ccc(cc1)Br 62a_100000752885_100000764493 [0,2,0,0,0,0|1,0,0]=3 15209 B13R1.512 CC(C)(O)CSc1ccc(cc1)Br 62a_100000764493_100000752885 [0,2,0,0,0,0|1,0,0]=3 15210 B13R1.512 CC(C)(O)CSc1ccc(cc1)Cl 62a_100000755918_100000764493 [0,2,0,0,0,0|1,0,0]=3 15211 B13R1.512 CC(C)(O)CSc1ccc(cc1)Cl 62a_100000764493_100000755918 [0,2,0,0,0,0|1,0,0]=3 15212 B13R1.512 CC(C)(O)CSc1ccc(cc1)F 62a_100000211213_100000764493 [0,2,0,0,0,0|1,0,0]=3 15213 B13R1.512 CC(C)(O)CSc1ccc(cc1)F 62a_100000764493_100000211213 [0,2,0,0,0,0|1,0,0]=3 15214 B13R1.512 CC(C)(O)CSc1ccc(cc1)N 62a_100000185761_100000764493 [0,2,0,0,0,0|1,0,0]=3 15215 B13R1.512 CC(C)(O)CSc1ccc(cc1)N 62a_100000764493_100000185761 [0,2,0,0,0,0|1,0,0]=3 15216 B13R1.512 CC(C)(O)CSc1ccc(cc1)O 62a_100000764493_100000185759 [0,2,0,0,0,0|1,0,0]=3 15217 B13R1.512 CC(C)(O)CSc1ccc(cn1)Br 62a_100000686858_100000764493 [0,2,0,0,0,0|2,0,0]=4 15218 B13R1.512 CC(C)(O)CSc1ccc(cn1)Br 62a_100000764493_100000686858 [0,2,0,0,0,0|2,0,0]=4 15219 B13R1.512 CC(C)(O)CSc1ccc(cn1)Cl 62a_100000764493_100011356976 [0,2,0,0,0,0|2,0,0]=4 15220 B13R1.512 CC(C)(O)CSc1ccc(cn1)Cl 62a_100011356976_100000764493 [0,2,0,0,0,0|2,0,0]=4 15221 B13R1.512 CC(C)(O)CSc1ccc(cn1)F 62a_100000744514_100000764493 [0,2,0,0,0,0|2,0,0]=4 15222 B13R1.512 CC(C)(O)CSc1ccc(cn1)F 62a_100000764493_100000744514 [0,2,0,0,0,0|2,0,0]=4 15223 B13R1.512 CC(C)(O)CSc1ccc(cn1)N 62a_100000737798_100000764493 [0,2,0,0,0,0|2,0,0]=4 15224 B13R1.512 CC(C)(O)CSc1ccc(cn1)N 62a_100000764493_100000737798 [0,2,0,0,0,0|2,0,0]=4 15225 B13R1.512 CC(C)(O)CSc1ccc(cn1)O 62a_100000685995_100000764493 [0,2,0,0,0,0|2,0,0]=4 15226 B13R1.512 CC(C)(O)CSc1ccc(cn1)O 62a_100000764493_100000744096 [0,2,0,0,0,0|2,0,0]=4 15227 B13R1.512 CC(C)(O)CSc1ccc(nc1)Br 62a_100000764493_100009814638 [0,2,0,0,0,0|2,0,0]=4 15228 B13R1.512 CC(C)(O)CSc1ccc(nc1)Br 62a_100009814638_100000764493 [0,2,0,0,0,0|2,0,0]=4 15229 B13R1.512 CC(C)(O)CSc1ccc(nc1)Cl 62a_100000034144_100000764493 [0,2,0,0,0,0|2,0,0]=4 15230 B13R1.512 CC(C)(O)CSc1ccc(nc1)Cl 62a_100000764493_100000034144 [0,2,0,0,0,0|2,0,0]=4 15231 B13R1.512 CC(C)(O)CSc1ccc(nc1)F 62a_100000042367_100000764493 [0,2,0,0,0,0|2,0,0]=4 15232 B13R1.512 CC(C)(O)CSc1ccc(nc1)F 62a_100000764493_100000042367 [0,2,0,0,0,0|2,0,0]=4 15233 B13R1.512 CC(C)(O)CSc1ccc(nc1)N 62a_100000187370_100000764493 [0,2,0,0,0,0|2,0,0]=4 15234 B13R1.512 CC(C)(O)CSc1ccc(nc1)N 62a_100000764493_100000187370 [0,2,0,0,0,0|2,0,0]=4 15235 B13R1.512 Cc1ccc(cc1)C=CC(C)(C)O 271570a_200016258132_100000186775 [0,2,0,0,0,0|0,0,2]=4 15236 B13R1.512 Cc1ccc(cc1)CNC(C)(C)C 207a_100000715429_100000211033 [0,2,0,0,0,0|2,0,0]=4 15237 B13R1.512 Cc1ccc(cc1)CNC(C)(C)C 2230a_100000715429_100000210814 [0,2,0,0,0,0|2,0,0]=4 15238 B13R1.512 Cc1ccc(cc1)CNC(C)(C)C 34a_100000174908_100000210625 [0,2,0,0,0,0|2,0,0]=4 15239 B13R1.512 Cc1ccc(cc1)COC(C)(C)C 34a_100011215236_100000210625 [0,2,0,0,0,0|2,0,0]=4 15240 B13R1.512 Cc1ccc(cc1)COC(C)(C)C 34a_100015890283_100000210814 [0,2,0,0,0,0|2,0,0]=4 15241 B13R1.512 Cc1ccc(cc1)COC(C)(C)C 7a_100015890283_100000210814 [0,2,0,0,0,0|2,0,0]=4 15242 B13R1.512 Cc1ccc(cc1)CSC(C)(C)C 62a_100000210814_100000211941 [0,2,0,0,0,0|2,0,0]=4 15243 B13R1.512 Cc1ccc(cc1)CSC(C)(C)C 62a_100000211941_100000210814 [0,2,0,0,0,0|2,0,0]=4 15244 B13R1.512 Cc1ccc(cc1)NCC(C)(C)C 34a_100000124888_100011219605 [0,2,0,0,0,0|2,0,0]=4 15245 B13R1.512 Cc1ccc(cc1)NCC(C)(C)F 34a_100000124888_100011997219 [0,2,0,0,0,0|2,0,0]=4 15246 B13R1.512 Cc1ccc(cc1)NCC(C)(C)O 34a_100000124888_100000764493 [0,2,0,0,0,0|1,0,0]=3 15247 B13R1.512 Cc1ccc(cc1)OCC(C)(C)C 34a_100000210336_100011219605 [0,2,0,0,0,0|2,0,0]=4 15248 B13R1.512 Cc1ccc(cc1)OCC(C)(C)F 34a_100000210336_100011997219 [0,2,0,0,0,0|2,0,0]=4 15249 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 34a_100000210336_100000764493 [0,2,0,0,0,0|1,0,0]=3 15250 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 7a_100000210336_100000764493 [0,2,0,0,0,0|1,0,0]=3 15251 B13R1.512 Cc1ccc(cc1)SCC(C)(C)C 62a_100000186775_100011219605 [0,2,0,0,0,0|2,0,0]=4 15252 B13R1.512 Cc1ccc(cc1)SCC(C)(C)C 62a_100011219605_100000186775 [0,2,0,0,0,0|2,0,0]=4 15253 B13R1.512 Cc1ccc(cc1)SCC(C)(C)F 62a_100000186775_100011997219 [0,2,0,0,0,0|2,0,0]=4 15254 B13R1.512 Cc1ccc(cc1)SCC(C)(C)F 62a_100011997219_100000186775 [0,2,0,0,0,0|2,0,0]=4 15255 B13R1.512 Cc1ccc(cc1)SCC(C)(C)O 62a_100000186775_100000764493 [0,2,0,0,0,0|1,0,0]=3 15256 B13R1.512 Cc1ccc(cc1)SCC(C)(C)O 62a_100000764493_100000186775 [0,2,0,0,0,0|1,0,0]=3 15257 B13R1.512 Cc1ccc(cn1)OCC(C)(C)O 34a_100000745506_100000764493 [0,2,0,0,0,0|2,0,0]=4 15258 B13R1.512 Cc1ccc(cn1)OCC(C)(C)O 7a_100000745506_100000764493 [0,2,0,0,0,0|2,0,0]=4 15259 B13R1.512 Cc1ccc(cn1)SCC(C)(C)O 62a_100000751577_100000764493 [0,2,0,0,0,0|2,0,0]=4 15260 B13R1.512 Cc1ccc(cn1)SCC(C)(C)O 62a_100000764493_100000751577 [0,2,0,0,0,0|2,0,0]=4 15261 B13R1.512 Cc1ccc(nc1)OCC(C)(C)O 34a_100000759353_100000764493 [0,2,0,0,0,0|2,0,0]=4 15262 B13R1.512 Cc1ccc(nc1)SCC(C)(C)O 62a_100000764493_100000754016 [0,2,0,0,0,0|2,0,0]=4 15263 B13R1.512 Cc1ccc(nc1)SCC(C)(C)O 62a_100011192072_100000764493 [0,2,0,0,0,0|2,0,0]=4 15264 B13R1.512 Oc1ccc(cc1)CCC(F)(F)F 271570a_203496583355_200010238371 [0,2,0,0,0,0|2,0,0]=4 15265 B13R1.11 C#CC(C)NC(C)c1ccccc1 2230a_100000707721_100000230085 [0,2,0,0,0,0|2,0,0]=4 15266 B13R1.11 C#CC(C)NC(C)c1ccccc1 34a_100000707721_100000211855 [0,2,0,0,0,0|2,0,0]=4 15267 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,2,0,0,0,0|2,0,0]=4 15268 B13R1.11 C#CC(C)SC(C)c1ccccc1 62a_200000035995_100000230085 [0,2,0,0,0,0|2,0,0]=4 15269 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,2,0,0,0,0|2,0,0]=4 15270 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,2,0,0,0,0|2,0,0]=4 15271 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,2,0,0,0,0|2,0,0]=4 15272 B13R1.11 C=CC(C)SC(C)c1ccccc1 62a_100011215867_100000230085 [0,2,0,0,0,0|2,0,0]=4 15273 B13R1.11 C=CC(O)CN(C)c1ccccc1 2230a_100000210012_100000730141 [0,2,0,0,0,0|1,0,1]=4 15274 B13R1.11 C=CC(O)CN(C)c1ccccc1 34a_100000210012_100000730141 [0,2,0,0,0,0|1,0,1]=4 15275 B13R1.11 CC(C#N)NC(C)c1ccccc1 2230a_100000737613_100000230085 [0,2,0,0,0,0|2,0,0]=4 15276 B13R1.11 CC(C#N)N[C@H](C)c1ccccc1 2230a_100000751104_100000184139 [0,2,0,0,0,0|2,0,0]=4 15277 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,2,0,0,0,0|2,0,0]=4 15278 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,2,0,0,0,0|2,0,0]=4 15279 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000230085_100000703298 [0,2,0,0,0,0|2,0,0]=4 15280 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000703298_100000230085 [0,2,0,0,0,0|2,0,0]=4 15281 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [0,2,0,0,0,0|0,0,2]=4 15282 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,2,0,0,0,0|0,0,2]=4 15283 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,2,0,0,0,0|2,0,0]=4 15284 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,2,0,0,0,0|2,0,0]=4 15285 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|2,0,0]=4 15286 B13R1.11 CC(CO)NC(C)c1ccccn1 2230a_100000181244_100012180447 [0,2,0,0,0,0|2,0,0]=4 15287 B13R1.11 CC(CO)NC(C)c1cccnc1 2230a_100000195435_100012180447 [0,2,0,0,0,0|2,0,0]=4 15288 B13R1.11 CC(CO)NC(C)c1ccncc1 2230a_100000181269_100012180447 [0,2,0,0,0,0|2,0,0]=4 15289 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,2,0,0,0,0|1,0,0]=3 15290 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,2,0,0,0,0|1,0,0]=3 15291 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,2,0,0,0,0|1,0,0]=3 15292 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,2,0,0,0,0|1,0,0]=3 15293 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,2,0,0,0,0|2,0,0]=4 15294 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,2,0,0,0,0|1,0,0]=3 15295 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,2,0,0,0,0|1,0,0]=3 15296 B13R1.11 CC(N[C@H](C)CO)c1ccccn1 269862a_100000737577_100000210467 [0,2,0,0,0,0|2,0,0]=4 15297 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 269862a_100000737577_100000210468 [0,2,0,0,0,0|2,0,0]=4 15298 B13R1.11 CC(N[C@H](C)CO)c1ccncc1 269862a_100000737577_100000185792 [0,2,0,0,0,0|2,0,0]=4 15299 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,2,0,0,0,0|1,0,0]=3 15300 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,2,0,0,0,0|1,0,0]=3 15301 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,2,0,0,0,0|0,0,2]=4 15302 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,2,0,0,0,0|0,0,2]=4 15303 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,2,0,0,0,0|0,0,2]=4 15304 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,2,0,0,0,0|0,0,2]=4 15305 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,2,0,0,0,0|0,0,2]=4 15306 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,2,0,0,0,0|1,0,1]=4 15307 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 15308 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 15309 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 15310 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,2,0,0,0,0|2,0,0]=4 15311 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,2,0,0,0,0|2,0,0]=4 15312 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,2,0,0,0,0|2,0,0]=4 15313 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,2,0,0,0,0|2,0,0]=4 15314 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,2,0,0,0,0|2,0,0]=4 15315 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,2,0,0,0,0|2,0,0]=4 15316 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,2,0,0,0,0|2,0,0]=4 15317 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,2,0,0,0,0|2,0,0]=4 15318 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,2,0,0,0,0|0,0,1]=3 15319 B13R1.11 CCC(O)CN(C)c1ccccc1 2230a_100000210012_100011218378 [0,2,0,0,0,0|1,0,0]=3 15320 B13R1.11 CCC(O)CN(C)c1ccccc1 269982a_100000210012_100011218378 [0,2,0,0,0,0|1,0,0]=3 15321 B13R1.11 CCC(O)CN(C)c1ccccc1 34a_100000210012_100011218378 [0,2,0,0,0,0|1,0,0]=3 15322 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,2,0,0,0,0|2,0,0]=4 15323 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,2,0,0,0,0|2,0,0]=4 15324 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,2,0,0,0,0|2,0,0]=4 15325 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,2,0,0,0,0|2,0,0]=4 15326 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,2,0,0,0,0|2,0,0]=4 15327 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,2,0,0,0,0|2,0,0]=4 15328 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,2,0,0,0,0|1,0,1]=4 15329 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 15330 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 15331 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 15332 B13R1.11 CN(CC(O)CO)c1ccccc1 2230a_100000210012_100011219619 [0,2,0,0,0,0|1,0,0]=3 15333 B13R1.11 CN(CC(O)CO)c1ccccc1 34a_100000210012_100011219619 [0,2,0,0,0,0|1,0,0]=3 15334 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [0,2,0,0,0,0|2,0,0]=4 15335 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 2230a_100000210012_100015614560 [0,2,0,0,0,0|1,0,0]=3 15336 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 34a_100000210012_100015614560 [0,2,0,0,0,0|1,0,0]=3 15337 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 2230a_100000210012_100009815848 [0,2,0,0,0,0|1,0,0]=3 15338 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 34a_100000210012_100009815848 [0,2,0,0,0,0|1,0,0]=3 15339 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,2,0,0,0,0|0,0,2]=4 15340 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,2,0,0,0,0|0,0,2]=4 15341 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,2,0,0,0,0|0,0,2]=4 15342 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,2,0,0,0,0|0,0,2]=4 15343 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,2,0,0,0,0|0,0,2]=4 15344 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100000230085_100009879195 [0,2,0,0,0,0|1,0,0]=3 15345 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100009879195_100000230085 [0,2,0,0,0,0|1,0,0]=3 15346 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,2,0,0,0,0|0,0,1]=3 15347 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [0,2,0,0,0,0|1,0,0]=3 15348 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [0,2,0,0,0,0|1,0,0]=3 15349 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [0,2,0,0,0,0|1,0,0]=3 15350 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [0,2,0,0,0,0|1,0,1]=4 15351 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [0,2,0,0,0,0|1,0,1]=4 15352 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,2,0,0,0,0|0,0,2]=4 15353 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,2,0,0,0,0|0,0,2]=4 15354 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,2,0,0,0,0|0,0,2]=4 15355 B13R1.15 C#CC(C)NCc1cccc(c1)Br 2230a_100000707721_100000698116 [0,2,0,0,0,0|2,0,0]=4 15356 B13R1.15 C#CC(C)NCc1cccc(c1)Br 270004a_100000707721_100000210085 [0,2,0,0,0,0|2,0,0]=4 15357 B13R1.15 C#CC(C)NCc1cccc(c1)Br 34a_100000174977_200000035995 [0,2,0,0,0,0|2,0,0]=4 15358 B13R1.15 C#CC(C)NCc1cccc(c1)Br 34a_100000707721_100000698116 [0,2,0,0,0,0|2,0,0]=4 15359 B13R1.15 C#CC(C)NCc1cccc(c1)C 2230a_100000707721_100000211840 [0,2,0,0,0,0|2,0,0]=4 15360 B13R1.15 C#CC(C)NCc1cccc(c1)C 270004a_100000707721_100000211157 [0,2,0,0,0,0|2,0,0]=4 15361 B13R1.15 C#CC(C)NCc1cccc(c1)C 34a_100000185548_200000035995 [0,2,0,0,0,0|2,0,0]=4 15362 B13R1.15 C#CC(C)NCc1cccc(c1)C 34a_100000707721_100000211840 [0,2,0,0,0,0|2,0,0]=4 15363 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 2230a_100000707721_100000181238 [0,2,0,0,0,0|2,0,0]=4 15364 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 270004a_100000707721_100000210801 [0,2,0,0,0,0|2,0,0]=4 15365 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 34a_100000174878_200000035995 [0,2,0,0,0,0|2,0,0]=4 15366 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 34a_100000707721_100000187163 [0,2,0,0,0,0|2,0,0]=4 15367 B13R1.15 C#CC(C)NCc1cccc(c1)F 2230a_100000707721_100000230114 [0,2,0,0,0,0|2,0,0]=4 15368 B13R1.15 C#CC(C)NCc1cccc(c1)F 270004a_100000707721_100000210812 [0,2,0,0,0,0|2,0,0]=4 15369 B13R1.15 C#CC(C)NCc1cccc(c1)F 34a_100000174948_200000035995 [0,2,0,0,0,0|2,0,0]=4 15370 B13R1.15 C#CC(C)NCc1cccc(c1)F 34a_100000707721_100000187166 [0,2,0,0,0,0|2,0,0]=4 15371 B13R1.15 C#CC(C)NCc1cccc(c1)I 2230a_100000707721_100011218688 [0,2,0,0,0,0|2,0,0]=4 15372 B13R1.15 C#CC(C)NCc1cccc(c1)I 270004a_100000707721_100000014684 [0,2,0,0,0,0|2,0,0]=4 15373 B13R1.15 C#CC(C)NCc1cccc(c1)I 34a_100000106179_200000035995 [0,2,0,0,0,0|2,0,0]=4 15374 B13R1.15 C#CC(C)NCc1cccc(c1)I 34a_100000707721_100011218688 [0,2,0,0,0,0|2,0,0]=4 15375 B13R1.15 C#CC(C)NCc1cccc(c1)O 2230a_100000707721_100011660834 [0,2,0,0,0,0|2,0,0]=4 15376 B13R1.15 C#CC(C)NCc1cccc(c1)O 270004a_100000707721_100000188321 [0,2,0,0,0,0|2,0,0]=4 15377 B13R1.15 C#CC(C)NCc1cccc(c1)O 34a_100000707721_100011660834 [0,2,0,0,0,0|2,0,0]=4 15378 B13R1.15 C#CC(C)NCc1cccc(c1)O 34a_100000743036_200000035995 [0,2,0,0,0,0|2,0,0]=4 15379 B13R1.15 C#CC(C)OCc1cccc(c1)Br 34a_100000687537_200000035995 [0,2,0,0,0,0|2,0,0]=4 15380 B13R1.15 C#CC(C)OCc1cccc(c1)C 34a_100011217746_200000035995 [0,2,0,0,0,0|2,0,0]=4 15381 B13R1.15 C#CC(C)OCc1cccc(c1)Cl 34a_100000241301_200000035995 [0,2,0,0,0,0|2,0,0]=4 15382 B13R1.15 C#CC(C)OCc1cccc(c1)F 34a_100000210976_200000035995 [0,2,0,0,0,0|2,0,0]=4 15383 B13R1.15 C#CC(C)OCc1cccc(c1)I 34a_100011215336_200000035995 [0,2,0,0,0,0|2,0,0]=4 15384 B13R1.15 C#CC(C)OCc1cccc(c1)N 34a_100000211919_200000035995 [0,2,0,0,0,0|2,0,0]=4 15385 B13R1.15 C#CC(C)SCc1cccc(c1)Br 62a_200000035995_100000211773 [0,2,0,0,0,0|2,0,0]=4 15386 B13R1.15 C#CC(C)SCc1cccc(c1)C 62a_200000035995_100000211840 [0,2,0,0,0,0|2,0,0]=4 15387 B13R1.15 C#CC(C)SCc1cccc(c1)Cl 62a_200000035995_100000187163 [0,2,0,0,0,0|2,0,0]=4 15388 B13R1.15 C#CC(C)SCc1cccc(c1)F 62a_200000035995_100000230114 [0,2,0,0,0,0|2,0,0]=4 15389 B13R1.15 C#CC(C)SCc1cccc(c1)I 62a_200000035995_100011218688 [0,2,0,0,0,0|2,0,0]=4 15390 B13R1.15 C#CC(C)SCc1cccc(c1)O 62a_200000035995_100011660834 [0,2,0,0,0,0|2,0,0]=4 15391 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 34a_100009815206_100000698116 [0,2,0,0,0,0|2,0,0]=4 15392 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 7a_100009815206_100000211773 [0,2,0,0,0,0|2,0,0]=4 15393 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C 34a_100009815206_100000211840 [0,2,0,0,0,0|2,0,0]=4 15394 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C 7a_100009815206_100000211840 [0,2,0,0,0,0|2,0,0]=4 15395 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 34a_100009815206_100000187163 [0,2,0,0,0,0|2,0,0]=4 15396 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 7a_100009815206_100000187163 [0,2,0,0,0,0|2,0,0]=4 15397 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 34a_100009815206_100000187166 [0,2,0,0,0,0|2,0,0]=4 15398 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 7a_100009815206_100000230114 [0,2,0,0,0,0|2,0,0]=4 15399 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 34a_100009815206_100011218688 [0,2,0,0,0,0|2,0,0]=4 15400 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 7a_100009815206_100011218688 [0,2,0,0,0,0|2,0,0]=4 15401 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)O 34a_100009815206_100011660834 [0,2,0,0,0,0|2,0,0]=4 15402 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)O 7a_100009815206_100000084143 [0,2,0,0,0,0|2,0,0]=4 15403 B13R1.15 C=CC(C)OCc1cccc(c1)Br 34a_100000695699_100000698116 [0,2,0,0,0,0|2,0,0]=4 15404 B13R1.15 C=CC(C)OCc1cccc(c1)C 34a_100000695699_100000211840 [0,2,0,0,0,0|2,0,0]=4 15405 B13R1.15 C=CC(C)OCc1cccc(c1)Cl 34a_100000695699_100000187163 [0,2,0,0,0,0|2,0,0]=4 15406 B13R1.15 C=CC(C)OCc1cccc(c1)F 34a_100000695699_100000187166 [0,2,0,0,0,0|2,0,0]=4 15407 B13R1.15 C=CC(C)OCc1cccc(c1)I 34a_100000695699_100011218688 [0,2,0,0,0,0|2,0,0]=4 15408 B13R1.15 C=CC(C)OCc1cccc(c1)O 34a_100000695699_100011660834 [0,2,0,0,0,0|2,0,0]=4 15409 B13R1.15 C=CC(C)SCc1cccc(c1)Br 62a_100011215867_100000211773 [0,2,0,0,0,0|2,0,0]=4 15410 B13R1.15 C=CC(C)SCc1cccc(c1)C 62a_100011215867_100000211840 [0,2,0,0,0,0|2,0,0]=4 15411 B13R1.15 C=CC(C)SCc1cccc(c1)Cl 62a_100011215867_100000187163 [0,2,0,0,0,0|2,0,0]=4 15412 B13R1.15 C=CC(C)SCc1cccc(c1)F 62a_100011215867_100000230114 [0,2,0,0,0,0|2,0,0]=4 15413 B13R1.15 C=CC(C)SCc1cccc(c1)I 62a_100011215867_100011218688 [0,2,0,0,0,0|2,0,0]=4 15414 B13R1.15 C=CC(C)SCc1cccc(c1)O 62a_100011215867_100011660834 [0,2,0,0,0,0|2,0,0]=4 15415 B13R1.15 C=CC(O)CNc1cccc(c1)Br 34a_100000210019_100000730141 [0,2,0,0,0,0|1,0,1]=4 15416 B13R1.15 C=CC(O)CNc1cccc(c1)C 2230a_100000188690_100000730141 [0,2,0,0,0,0|1,0,1]=4 15417 B13R1.15 C=CC(O)CNc1cccc(c1)C 34a_100000188690_100000730141 [0,2,0,0,0,0|1,0,1]=4 15418 B13R1.15 C=CC(O)CNc1cccc(c1)Cl 34a_100000185859_100000730141 [0,2,0,0,0,0|1,0,1]=4 15419 B13R1.15 C=CC(O)CNc1cccc(c1)F 34a_100000210047_100000730141 [0,2,0,0,0,0|1,0,1]=4 15420 B13R1.15 C=CC(O)CNc1cccc(c1)I 34a_100000211102_100000730141 [0,2,0,0,0,0|1,0,1]=4 15421 B13R1.15 C=CC(O)CNc1cccc(c1)O 34a_100000210217_100000730141 [0,2,0,0,0,0|1,0,1]=4 15422 B13R1.15 C=CC(O)COc1cccc(c1)Br 34a_100000210342_100000730141 [0,2,0,0,0,0|1,0,1]=4 15423 B13R1.15 C=CC(O)COc1cccc(c1)Br 7a_100000210342_100000730141 [0,2,0,0,0,0|1,0,1]=4 15424 B13R1.15 C=CC(O)COc1cccc(c1)C 34a_100000210337_100000730141 [0,2,0,0,0,0|1,0,1]=4 15425 B13R1.15 C=CC(O)COc1cccc(c1)C 7a_100000210337_100000730141 [0,2,0,0,0,0|1,0,1]=4 15426 B13R1.15 C=CC(O)COc1cccc(c1)Cl 34a_100000210295_100000730141 [0,2,0,0,0,0|1,0,1]=4 15427 B13R1.15 C=CC(O)COc1cccc(c1)Cl 7a_100000210295_100000730141 [0,2,0,0,0,0|1,0,1]=4 15428 B13R1.15 C=CC(O)COc1cccc(c1)F 34a_100000210426_100000730141 [0,2,0,0,0,0|1,0,1]=4 15429 B13R1.15 C=CC(O)COc1cccc(c1)F 7a_100000210426_100000730141 [0,2,0,0,0,0|1,0,1]=4 15430 B13R1.15 C=CC(O)COc1cccc(c1)I 34a_100000211634_100000730141 [0,2,0,0,0,0|1,0,1]=4 15431 B13R1.15 C=CC(O)COc1cccc(c1)I 7a_100000211634_100000730141 [0,2,0,0,0,0|1,0,1]=4 15432 B13R1.15 C=CC(O)COc1cccc(c1)N 34a_100000210217_100000730141 [0,2,0,0,0,0|1,0,1]=4 15433 B13R1.15 C=CC(O)CSc1cccc(c1)Br 62a_100000691529_100000730141 [0,2,0,0,0,0|1,0,1]=4 15434 B13R1.15 C=CC(O)CSc1cccc(c1)Br 62a_100000730141_100000691529 [0,2,0,0,0,0|1,0,1]=4 15435 B13R1.15 C=CC(O)CSc1cccc(c1)C 62a_100000730141_100011215228 [0,2,0,0,0,0|1,0,1]=4 15436 B13R1.15 C=CC(O)CSc1cccc(c1)C 62a_100011215228_100000730141 [0,2,0,0,0,0|1,0,1]=4 15437 B13R1.15 C=CC(O)CSc1cccc(c1)Cl 62a_100000699651_100000730141 [0,2,0,0,0,0|1,0,1]=4 15438 B13R1.15 C=CC(O)CSc1cccc(c1)Cl 62a_100000730141_100000699651 [0,2,0,0,0,0|1,0,1]=4 15439 B13R1.15 C=CC(O)CSc1cccc(c1)F 62a_100000685547_100000730141 [0,2,0,0,0,0|1,0,1]=4 15440 B13R1.15 C=CC(O)CSc1cccc(c1)F 62a_100000730141_100000685547 [0,2,0,0,0,0|1,0,1]=4 15441 B13R1.15 C=CC(O)CSc1cccc(c1)N 62a_100000210019_100000730141 [0,2,0,0,0,0|1,0,1]=4 15442 B13R1.15 C=CC(O)CSc1cccc(c1)N 62a_100000730141_100000210019 [0,2,0,0,0,0|1,0,1]=4 15443 B13R1.15 C=CC(O)CSc1cccc(c1)O 62a_100000730141_100000211634 [0,2,0,0,0,0|1,0,1]=4 15444 B13R1.15 C=CC(O)CSc1cccc(c1)[S] 62a_100000730141_114929384022 [0,2,0,0,0,0|1,0,1]=4 15445 B13R1.15 C=CC(O)CSc1cccc(c1)[S] 62a_114929384022_100000730141 [0,2,0,0,0,0|1,0,1]=4 15446 B13R1.15 CC(C#N)NCc1cccc(c1)Br 2230a_100000174977_100000184139 [0,2,0,0,0,0|2,0,0]=4 15447 B13R1.15 CC(C#N)NCc1cccc(c1)Br 2230a_100000737613_100000698116 [0,2,0,0,0,0|2,0,0]=4 15448 B13R1.15 CC(C#N)NCc1cccc(c1)Cl 2230a_100000174878_100000184139 [0,2,0,0,0,0|2,0,0]=4 15449 B13R1.15 CC(C#N)NCc1cccc(c1)Cl 2230a_100000737613_100000181238 [0,2,0,0,0,0|2,0,0]=4 15450 B13R1.15 CC(C#N)NCc1cccc(c1)F 2230a_100000174948_100000184139 [0,2,0,0,0,0|2,0,0]=4 15451 B13R1.15 CC(C#N)NCc1cccc(c1)F 2230a_100000737613_100000230114 [0,2,0,0,0,0|2,0,0]=4 15452 B13R1.15 CC(C#N)NCc1cccc(c1)I 2230a_100000106179_100000184139 [0,2,0,0,0,0|2,0,0]=4 15453 B13R1.15 CC(C#N)NCc1cccc(c1)I 2230a_100000737613_100011218688 [0,2,0,0,0,0|2,0,0]=4 15454 B13R1.15 CC(C#N)NCc1cccc(c1)O 2230a_100000737613_100011660834 [0,2,0,0,0,0|2,0,0]=4 15455 B13R1.15 CC(C#N)NCc1cccc(c1)O 2230a_100000743036_100000184139 [0,2,0,0,0,0|2,0,0]=4 15456 B13R1.15 CC(C#N)OCc1cccc(c1)Br 34a_100011218135_100000698116 [0,2,0,0,0,0|2,0,0]=4 15457 B13R1.15 CC(C#N)OCc1cccc(c1)Br 7a_100000687537_100000703298 [0,2,0,0,0,0|2,0,0]=4 15458 B13R1.15 CC(C#N)OCc1cccc(c1)Cl 34a_100011218135_100000187163 [0,2,0,0,0,0|2,0,0]=4 15459 B13R1.15 CC(C#N)OCc1cccc(c1)Cl 7a_100000241301_100000703298 [0,2,0,0,0,0|2,0,0]=4 15460 B13R1.15 CC(C#N)OCc1cccc(c1)F 34a_100011218135_100000187166 [0,2,0,0,0,0|2,0,0]=4 15461 B13R1.15 CC(C#N)OCc1cccc(c1)F 7a_100000210976_100000703298 [0,2,0,0,0,0|2,0,0]=4 15462 B13R1.15 CC(C#N)OCc1cccc(c1)I 34a_100011218135_100011218688 [0,2,0,0,0,0|2,0,0]=4 15463 B13R1.15 CC(C#N)OCc1cccc(c1)I 7a_100011215336_100000703298 [0,2,0,0,0,0|2,0,0]=4 15464 B13R1.15 CC(C#N)OCc1cccc(c1)O 34a_100011218135_100011660834 [0,2,0,0,0,0|2,0,0]=4 15465 B13R1.15 CC(C#N)SCc1cccc(c1)Br 62a_100000211773_100000703298 [0,2,0,0,0,0|2,0,0]=4 15466 B13R1.15 CC(C#N)SCc1cccc(c1)Br 62a_100000703298_100000211773 [0,2,0,0,0,0|2,0,0]=4 15467 B13R1.15 CC(C#N)SCc1cccc(c1)Cl 62a_100000187163_100000703298 [0,2,0,0,0,0|2,0,0]=4 15468 B13R1.15 CC(C#N)SCc1cccc(c1)Cl 62a_100000703298_100000187163 [0,2,0,0,0,0|2,0,0]=4 15469 B13R1.15 CC(C#N)SCc1cccc(c1)F 62a_100000230114_100000703298 [0,2,0,0,0,0|2,0,0]=4 15470 B13R1.15 CC(C#N)SCc1cccc(c1)F 62a_100000703298_100000230114 [0,2,0,0,0,0|2,0,0]=4 15471 B13R1.15 CC(C#N)SCc1cccc(c1)I 62a_100000703298_100011218688 [0,2,0,0,0,0|2,0,0]=4 15472 B13R1.15 CC(C#N)SCc1cccc(c1)I 62a_100011218688_100000703298 [0,2,0,0,0,0|2,0,0]=4 15473 B13R1.15 CC(C#N)SCc1cccc(c1)O 62a_100000703298_100011660834 [0,2,0,0,0,0|2,0,0]=4 15474 B13R1.15 CC(C#N)SCc1cccc(c1)O 62a_100011660834_100000703298 [0,2,0,0,0,0|2,0,0]=4 15475 B13R1.15 CC(CF)OCc1cccc(c1)Br 34a_100016041109_100000698116 [0,2,0,0,0,0|2,0,0]=4 15476 B13R1.15 CC(CF)OCc1cccc(c1)Br 7a_100016041109_100000211773 [0,2,0,0,0,0|2,0,0]=4 15477 B13R1.15 CC(CF)OCc1cccc(c1)Cl 34a_100016041109_100000187163 [0,2,0,0,0,0|2,0,0]=4 15478 B13R1.15 CC(CF)OCc1cccc(c1)Cl 7a_100016041109_100000187163 [0,2,0,0,0,0|2,0,0]=4 15479 B13R1.15 CC(CF)OCc1cccc(c1)F 34a_100016041109_100000187166 [0,2,0,0,0,0|2,0,0]=4 15480 B13R1.15 CC(CF)OCc1cccc(c1)F 7a_100016041109_100000230114 [0,2,0,0,0,0|2,0,0]=4 15481 B13R1.15 CC(CF)OCc1cccc(c1)I 34a_100016041109_100011218688 [0,2,0,0,0,0|2,0,0]=4 15482 B13R1.15 CC(CF)OCc1cccc(c1)I 7a_100016041109_100011218688 [0,2,0,0,0,0|2,0,0]=4 15483 B13R1.15 CC(CF)OCc1cccc(c1)O 34a_100016041109_100011660834 [0,2,0,0,0,0|2,0,0]=4 15484 B13R1.15 CC(CF)OCc1cccc(c1)O 7a_100016041109_100000084143 [0,2,0,0,0,0|2,0,0]=4 15485 B13R1.15 CC(CN)OCc1cccc(c1)Br 34a_100000210904_100000698116 [0,2,0,0,0,0|2,0,0]=4 15486 B13R1.15 CC(CN)OCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,2,0,0,0,0|2,0,0]=4 15487 B13R1.15 CC(CN)OCc1cccc(c1)F 34a_100000210904_100000187166 [0,2,0,0,0,0|2,0,0]=4 15488 B13R1.15 CC(CN)OCc1cccc(c1)I 34a_100000210904_100011218688 [0,2,0,0,0,0|2,0,0]=4 15489 B13R1.15 CC(CN)OCc1cccc(c1)O 34a_100000210904_100011660834 [0,2,0,0,0,0|2,0,0]=4 15490 B13R1.15 CC(CO)CNc1cc(ccn1)F 27a_100000744482_100000764206 [0,2,0,0,0,0|2,0,0]=4 15491 B13R1.15 CC(CO)CNc1cc[nH]c(=O)c1 27a_100000744482_100000061649 [0,2,0,0,0,0|2,0,0]=4 15492 B13R1.15 CC(CO)CNc1cccc(n1)F 27a_100000744482_100009815982 [0,2,0,0,0,0|2,0,0]=4 15493 B13R1.15 CC(CO)CNc1ccnc(c1)F 27a_100000744482_100009816116 [0,2,0,0,0,0|2,0,0]=4 15494 B13R1.15 CC(CO)NCc1cccc(=O)[nH]1 2230a_100000696482_100012180447 [0,2,0,0,0,0|2,0,0]=4 15495 B13R1.15 CC(CO)NCc1cccc(c1)Br 2230a_100000174977_100012180447 [0,2,0,0,0,0|1,0,0]=3 15496 B13R1.15 CC(CO)NCc1cccc(c1)Br 34a_100000174977_100012180447 [0,2,0,0,0,0|1,0,0]=3 15497 B13R1.15 CC(CO)NCc1cccc(c1)Cl 2230a_100000174878_100012180447 [0,2,0,0,0,0|1,0,0]=3 15498 B13R1.15 CC(CO)NCc1cccc(c1)Cl 34a_100000174878_100012180447 [0,2,0,0,0,0|1,0,0]=3 15499 B13R1.15 CC(CO)NCc1cccc(c1)F 2230a_100000174948_100012180447 [0,2,0,0,0,0|1,0,0]=3 15500 B13R1.15 CC(CO)NCc1cccc(c1)F 34a_100000174948_100012180447 [0,2,0,0,0,0|1,0,0]=3 15501 B13R1.15 CC(CO)NCc1cccc(c1)I 2230a_100000106179_100012180447 [0,2,0,0,0,0|1,0,0]=3 15502 B13R1.15 CC(CO)NCc1cccc(c1)I 34a_100000106179_100012180447 [0,2,0,0,0,0|1,0,0]=3 15503 B13R1.15 CC(CO)NCc1cccc(c1)O 2230a_100000743036_100012180447 [0,2,0,0,0,0|1,0,0]=3 15504 B13R1.15 CC(CO)NCc1cccc(c1)O 34a_100000743036_100012180447 [0,2,0,0,0,0|1,0,0]=3 15505 B13R1.15 CC(CO)NCc1cccc(n1)Br 2230a_100016987751_100012180447 [0,2,0,0,0,0|2,0,0]=4 15506 B13R1.15 CC(CO)NCc1cccc(n1)Cl 2230a_100016990191_100012180447 [0,2,0,0,0,0|2,0,0]=4 15507 B13R1.15 CC(CO)NCc1cccc(n1)F 2230a_100015188798_100012180447 [0,2,0,0,0,0|2,0,0]=4 15508 B13R1.15 CC(CO)NCc1cccc(n1)F 34a_100015188798_100012180447 [0,2,0,0,0,0|2,0,0]=4 15509 B13R1.15 CC(CO)NCc1ccnc(c1)Br 2230a_100025757509_100012180447 [0,2,0,0,0,0|2,0,0]=4 15510 B13R1.15 CC(CO)NCc1ccnc(c1)Br 34a_100025757509_100012180447 [0,2,0,0,0,0|2,0,0]=4 15511 B13R1.15 CC(CO)NCc1ccnc(c1)Cl 2230a_100015205668_100012180447 [0,2,0,0,0,0|2,0,0]=4 15512 B13R1.15 CC(CO)NCc1ccnc(c1)Cl 34a_100015205668_100012180447 [0,2,0,0,0,0|2,0,0]=4 15513 B13R1.15 CC(CO)NCc1ccnc(c1)F 2230a_100015188774_100012180447 [0,2,0,0,0,0|2,0,0]=4 15514 B13R1.15 CC(CO)NCc1ccnc(c1)F 34a_100015188774_100012180447 [0,2,0,0,0,0|2,0,0]=4 15515 B13R1.15 CC(CO)NCc1cncc(c1)Cl 2230a_200020614424_100012180447 [0,2,0,0,0,0|2,0,0]=4 15516 B13R1.15 CC(CO)NCc1cncc(c1)F 2230a_100011962886_100012180447 [0,2,0,0,0,0|2,0,0]=4 15517 B13R1.15 CC(CO)NCc1cncc(c1)F 34a_100011962886_100012180447 [0,2,0,0,0,0|2,0,0]=4 15518 B13R1.15 CC(CO)OCc1cc(ccn1)Cl 34a_100000748867_100012180447 [0,2,0,0,0,0|2,0,0]=4 15519 B13R1.15 CC(CO)OCc1cc(ccn1)N 34a_100000692640_100012180447 [0,2,0,0,0,0|2,0,0]=4 15520 B13R1.15 CC(CO)OCc1ccc[n+](c1)[O-] 34a_100000037817_100012180447 [0,2,0,0,0,0|2,0,0]=4 15521 B13R1.15 CC(CO)OCc1ccc[n+](c1)[O-] 7a_100000037817_100012180447 [0,2,0,0,0,0|2,0,0]=4 15522 B13R1.15 CC(CO)OCc1cccc(c1)Br 34a_100000687537_100012180447 [0,2,0,0,0,0|1,0,0]=3 15523 B13R1.15 CC(CO)OCc1cccc(c1)Br 7a_100000687537_100012180447 [0,2,0,0,0,0|1,0,0]=3 15524 B13R1.15 CC(CO)OCc1cccc(c1)Cl 34a_100000241301_100012180447 [0,2,0,0,0,0|1,0,0]=3 15525 B13R1.15 CC(CO)OCc1cccc(c1)Cl 7a_100000241301_100012180447 [0,2,0,0,0,0|1,0,0]=3 15526 B13R1.15 CC(CO)OCc1cccc(c1)F 34a_100000210976_100012180447 [0,2,0,0,0,0|1,0,0]=3 15527 B13R1.15 CC(CO)OCc1cccc(c1)F 7a_100000210976_100012180447 [0,2,0,0,0,0|1,0,0]=3 15528 B13R1.15 CC(CO)OCc1cccc(c1)I 34a_100011215336_100012180447 [0,2,0,0,0,0|1,0,0]=3 15529 B13R1.15 CC(CO)OCc1cccc(c1)I 7a_100011215336_100012180447 [0,2,0,0,0,0|1,0,0]=3 15530 B13R1.15 CC(CO)OCc1cccc(c1)N 34a_100000211919_100012180447 [0,2,0,0,0,0|1,0,0]=3 15531 B13R1.15 CC(CO)OCc1cccc(n1)Br 34a_100000694195_100012180447 [0,2,0,0,0,0|2,0,0]=4 15532 B13R1.15 CC(CO)OCc1cccc(n1)Cl 34a_100011998359_100012180447 [0,2,0,0,0,0|2,0,0]=4 15533 B13R1.15 CC(CO)OCc1cccc(n1)F 34a_100000086748_100012180447 [0,2,0,0,0,0|2,0,0]=4 15534 B13R1.15 CC(CO)OCc1ccnc(c1)Br 34a_100009814636_100012180447 [0,2,0,0,0,0|2,0,0]=4 15535 B13R1.15 CC(CO)OCc1ccnc(c1)Br 7a_100009814636_100012180447 [0,2,0,0,0,0|2,0,0]=4 15536 B13R1.15 CC(CO)OCc1ccnc(c1)Cl 34a_100000748751_100012180447 [0,2,0,0,0,0|2,0,0]=4 15537 B13R1.15 CC(CO)OCc1ccnc(c1)F 34a_100000082451_100012180447 [0,2,0,0,0,0|2,0,0]=4 15538 B13R1.15 CC(CO)OCc1cncc(c1)Br 34a_100011259137_100012180447 [0,2,0,0,0,0|2,0,0]=4 15539 B13R1.15 CC(CO)OCc1cncc(c1)Br 7a_100011259137_100012180447 [0,2,0,0,0,0|2,0,0]=4 15540 B13R1.15 CC(CO)OCc1cncc(c1)Cl 34a_100000092867_100012180447 [0,2,0,0,0,0|2,0,0]=4 15541 B13R1.15 CC(CO)OCc1cncc(c1)Cl 7a_100000092867_100012180447 [0,2,0,0,0,0|2,0,0]=4 15542 B13R1.15 CC(CO)OCc1cncc(c1)F 34a_100011962875_100012180447 [0,2,0,0,0,0|2,0,0]=4 15543 B13R1.15 CC(CO)OCc1cncc(c1)F 7a_100011962875_100012180447 [0,2,0,0,0,0|2,0,0]=4 15544 B13R1.15 CC(CO)OCc1cncc(c1)N 34a_100000085308_100012180447 [0,2,0,0,0,0|2,0,0]=4 15545 B13R1.15 CC(CO)SCc1cc(ccn1)Br 62a_100012180447_100010173614 [0,2,0,0,0,0|2,0,0]=4 15546 B13R1.15 CC(CO)SCc1cc(ccn1)Cl 62a_100012180447_100016988179 [0,2,0,0,0,0|2,0,0]=4 15547 B13R1.15 CC(CO)SCc1cccc(c1)Br 62a_100012180447_100000211773 [0,2,0,0,0,0|1,0,0]=3 15548 B13R1.15 CC(CO)SCc1cccc(c1)Cl 62a_100012180447_100000187163 [0,2,0,0,0,0|1,0,0]=3 15549 B13R1.15 CC(CO)SCc1cccc(c1)F 62a_100012180447_100000230114 [0,2,0,0,0,0|1,0,0]=3 15550 B13R1.15 CC(CO)SCc1cccc(c1)I 62a_100012180447_100011218688 [0,2,0,0,0,0|1,0,0]=3 15551 B13R1.15 CC(CO)SCc1cccc(c1)O 62a_100012180447_100011660834 [0,2,0,0,0,0|1,0,0]=3 15552 B13R1.15 CC(CO)SCc1cccc(n1)Br 62a_100012180447_100009889011 [0,2,0,0,0,0|2,0,0]=4 15553 B13R1.15 CC(CO)SCc1cccc(n1)Cl 62a_100012180447_100000086093 [0,2,0,0,0,0|2,0,0]=4 15554 B13R1.15 CC(CO)SCc1cccc(n1)F 62a_100012180447_100009819644 [0,2,0,0,0,0|2,0,0]=4 15555 B13R1.15 CC(CO)SCc1ccnc(c1)Br 62a_100012180447_100010243470 [0,2,0,0,0,0|2,0,0]=4 15556 B13R1.15 CC(CO)SCc1ccnc(c1)Cl 62a_100012180447_100000764220 [0,2,0,0,0,0|2,0,0]=4 15557 B13R1.15 CC(CO)SCc1cncc(c1)Br 62a_100012180447_100000738771 [0,2,0,0,0,0|2,0,0]=4 15558 B13R1.15 CC(CO)SCc1cncc(c1)Cl 62a_100012180447_100016992070 [0,2,0,0,0,0|2,0,0]=4 15559 B13R1.15 CC(CO)SCc1cncc(c1)F 62a_100012180447_100000725299 [0,2,0,0,0,0|2,0,0]=4 15560 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [0,2,0,0,0,0|0,0,2]=4 15561 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [0,2,0,0,0,0|0,0,2]=4 15562 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [0,2,0,0,0,0|0,0,2]=4 15563 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [0,2,0,0,0,0|0,0,2]=4 15564 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [0,2,0,0,0,0|0,0,2]=4 15565 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [0,2,0,0,0,0|0,0,2]=4 15566 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [0,2,0,0,0,0|0,0,2]=4 15567 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [0,2,0,0,0,0|0,0,2]=4 15568 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [0,2,0,0,0,0|0,0,2]=4 15569 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [0,2,0,0,0,0|0,0,2]=4 15570 B13R1.15 CCC(C)CNc1cccc(c1)Br 34a_100000210019_100000748023 [0,2,0,0,0,0|2,0,0]=4 15571 B13R1.15 CCC(C)CNc1cccc(c1)C 2230a_100000188690_100000748023 [0,2,0,0,0,0|2,0,0]=4 15572 B13R1.15 CCC(C)CNc1cccc(c1)C 34a_100000188690_100000748023 [0,2,0,0,0,0|2,0,0]=4 15573 B13R1.15 CCC(C)CNc1cccc(c1)Cl 34a_100000185859_100000748023 [0,2,0,0,0,0|2,0,0]=4 15574 B13R1.15 CCC(C)CNc1cccc(c1)F 34a_100000210047_100000748023 [0,2,0,0,0,0|2,0,0]=4 15575 B13R1.15 CCC(C)CNc1cccc(c1)I 34a_100000211102_100000748023 [0,2,0,0,0,0|2,0,0]=4 15576 B13R1.15 CCC(C)CNc1cccc(c1)O 34a_100000210217_100000748023 [0,2,0,0,0,0|2,0,0]=4 15577 B13R1.15 CCC(C)COc1cccc(c1)Br 34a_100000210342_100000748023 [0,2,0,0,0,0|2,0,0]=4 15578 B13R1.15 CCC(C)COc1cccc(c1)Br 7a_100000210342_100000748023 [0,2,0,0,0,0|2,0,0]=4 15579 B13R1.15 CCC(C)COc1cccc(c1)C 34a_100000210337_100000748023 [0,2,0,0,0,0|2,0,0]=4 15580 B13R1.15 CCC(C)COc1cccc(c1)C 7a_100000210337_100000748023 [0,2,0,0,0,0|2,0,0]=4 15581 B13R1.15 CCC(C)COc1cccc(c1)Cl 34a_100000210295_100000748023 [0,2,0,0,0,0|2,0,0]=4 15582 B13R1.15 CCC(C)COc1cccc(c1)Cl 7a_100000210295_100000748023 [0,2,0,0,0,0|2,0,0]=4 15583 B13R1.15 CCC(C)COc1cccc(c1)F 34a_100000210426_100000748023 [0,2,0,0,0,0|2,0,0]=4 15584 B13R1.15 CCC(C)COc1cccc(c1)F 7a_100000210426_100000748023 [0,2,0,0,0,0|2,0,0]=4 15585 B13R1.15 CCC(C)COc1cccc(c1)I 34a_100000211634_100000748023 [0,2,0,0,0,0|2,0,0]=4 15586 B13R1.15 CCC(C)COc1cccc(c1)I 7a_100000211634_100000748023 [0,2,0,0,0,0|2,0,0]=4 15587 B13R1.15 CCC(C)COc1cccc(c1)N 34a_100000210217_100000748023 [0,2,0,0,0,0|2,0,0]=4 15588 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000691529_100000748023 [0,2,0,0,0,0|2,0,0]=4 15589 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000748023_100000691529 [0,2,0,0,0,0|2,0,0]=4 15590 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100000748023_100011215228 [0,2,0,0,0,0|2,0,0]=4 15591 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100011215228_100000748023 [0,2,0,0,0,0|2,0,0]=4 15592 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000699651_100000748023 [0,2,0,0,0,0|2,0,0]=4 15593 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000748023_100000699651 [0,2,0,0,0,0|2,0,0]=4 15594 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000685547_100000748023 [0,2,0,0,0,0|2,0,0]=4 15595 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000748023_100000685547 [0,2,0,0,0,0|2,0,0]=4 15596 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000210019_100000748023 [0,2,0,0,0,0|2,0,0]=4 15597 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000748023_100000210019 [0,2,0,0,0,0|2,0,0]=4 15598 B13R1.15 CCC(C)CSc1cccc(c1)O 62a_100000748023_100000211634 [0,2,0,0,0,0|2,0,0]=4 15599 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_100000748023_114929384022 [0,2,0,0,0,0|2,0,0]=4 15600 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_114929384022_100000748023 [0,2,0,0,0,0|2,0,0]=4 15601 B13R1.15 CCC(C)NCc1cccc(c1)Br 207a_100000209981_100000210085 [0,2,0,0,0,0|2,0,0]=4 15602 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000174977_100000758301 [0,2,0,0,0,0|2,0,0]=4 15603 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000209981_100000698116 [0,2,0,0,0,0|2,0,0]=4 15604 B13R1.15 CCC(C)NCc1cccc(c1)Br 270004a_100000209981_100000210085 [0,2,0,0,0,0|2,0,0]=4 15605 B13R1.15 CCC(C)NCc1cccc(c1)Br 34a_100000174977_100011215416 [0,2,0,0,0,0|2,0,0]=4 15606 B13R1.15 CCC(C)NCc1cccc(c1)C 207a_100000209981_100000211157 [0,2,0,0,0,0|2,0,0]=4 15607 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000185548_100000758301 [0,2,0,0,0,0|2,0,0]=4 15608 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000209981_100000211840 [0,2,0,0,0,0|2,0,0]=4 15609 B13R1.15 CCC(C)NCc1cccc(c1)C 270004a_100000209981_100000211157 [0,2,0,0,0,0|2,0,0]=4 15610 B13R1.15 CCC(C)NCc1cccc(c1)C 34a_100000185548_100011215416 [0,2,0,0,0,0|2,0,0]=4 15611 B13R1.15 CCC(C)NCc1cccc(c1)Cl 207a_100000209981_100000210801 [0,2,0,0,0,0|2,0,0]=4 15612 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000758301 [0,2,0,0,0,0|2,0,0]=4 15613 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000209981_100000181238 [0,2,0,0,0,0|2,0,0]=4 15614 B13R1.15 CCC(C)NCc1cccc(c1)Cl 270004a_100000209981_100000210801 [0,2,0,0,0,0|2,0,0]=4 15615 B13R1.15 CCC(C)NCc1cccc(c1)Cl 34a_100000174878_100011215416 [0,2,0,0,0,0|2,0,0]=4 15616 B13R1.15 CCC(C)NCc1cccc(c1)F 207a_100000209981_100000210812 [0,2,0,0,0,0|2,0,0]=4 15617 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000174948_100000758301 [0,2,0,0,0,0|2,0,0]=4 15618 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000209981_100000230114 [0,2,0,0,0,0|2,0,0]=4 15619 B13R1.15 CCC(C)NCc1cccc(c1)F 270004a_100000209981_100000210812 [0,2,0,0,0,0|2,0,0]=4 15620 B13R1.15 CCC(C)NCc1cccc(c1)F 34a_100000174948_100011215416 [0,2,0,0,0,0|2,0,0]=4 15621 B13R1.15 CCC(C)NCc1cccc(c1)I 207a_100000209981_100000014684 [0,2,0,0,0,0|2,0,0]=4 15622 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000106179_100000758301 [0,2,0,0,0,0|2,0,0]=4 15623 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000209981_100011218688 [0,2,0,0,0,0|2,0,0]=4 15624 B13R1.15 CCC(C)NCc1cccc(c1)I 270004a_100000209981_100000014684 [0,2,0,0,0,0|2,0,0]=4 15625 B13R1.15 CCC(C)NCc1cccc(c1)I 34a_100000106179_100011215416 [0,2,0,0,0,0|2,0,0]=4 15626 B13R1.15 CCC(C)NCc1cccc(c1)O 207a_100000209981_100000188321 [0,2,0,0,0,0|2,0,0]=4 15627 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000209981_100011660834 [0,2,0,0,0,0|2,0,0]=4 15628 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000743036_100000758301 [0,2,0,0,0,0|2,0,0]=4 15629 B13R1.15 CCC(C)NCc1cccc(c1)O 270004a_100000209981_100000188321 [0,2,0,0,0,0|2,0,0]=4 15630 B13R1.15 CCC(C)NCc1cccc(c1)O 271570a_203496583355_100015184642 [0,2,0,0,0,0|2,0,0]=4 15631 B13R1.15 CCC(C)NCc1cccc(c1)O 34a_100000743036_100011215416 [0,2,0,0,0,0|2,0,0]=4 15632 B13R1.15 CCC(C)OCc1cccc(c1)Br 34a_100000687537_100011215416 [0,2,0,0,0,0|2,0,0]=4 15633 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000210228_100000211773 [0,2,0,0,0,0|2,0,0]=4 15634 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000687537_100000758301 [0,2,0,0,0,0|2,0,0]=4 15635 B13R1.15 CCC(C)OCc1cccc(c1)C 34a_100011217746_100011215416 [0,2,0,0,0,0|2,0,0]=4 15636 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100000210228_100000211840 [0,2,0,0,0,0|2,0,0]=4 15637 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100011217746_100000758301 [0,2,0,0,0,0|2,0,0]=4 15638 B13R1.15 CCC(C)OCc1cccc(c1)Cl 34a_100000241301_100011215416 [0,2,0,0,0,0|2,0,0]=4 15639 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000210228_100000187163 [0,2,0,0,0,0|2,0,0]=4 15640 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000241301_100000758301 [0,2,0,0,0,0|2,0,0]=4 15641 B13R1.15 CCC(C)OCc1cccc(c1)F 34a_100000210976_100011215416 [0,2,0,0,0,0|2,0,0]=4 15642 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210228_100000230114 [0,2,0,0,0,0|2,0,0]=4 15643 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210976_100000758301 [0,2,0,0,0,0|2,0,0]=4 15644 B13R1.15 CCC(C)OCc1cccc(c1)I 34a_100011215336_100011215416 [0,2,0,0,0,0|2,0,0]=4 15645 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100000210228_100011218688 [0,2,0,0,0,0|2,0,0]=4 15646 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100011215336_100000758301 [0,2,0,0,0,0|2,0,0]=4 15647 B13R1.15 CCC(C)OCc1cccc(c1)N 34a_100000211919_100011215416 [0,2,0,0,0,0|2,0,0]=4 15648 B13R1.15 CCC(C)OCc1cccc(c1)O 7a_100000210228_100000084143 [0,2,0,0,0,0|2,0,0]=4 15649 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000211773_100000758301 [0,2,0,0,0,0|2,0,0]=4 15650 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000758301_100000211773 [0,2,0,0,0,0|2,0,0]=4 15651 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000211840_100000758301 [0,2,0,0,0,0|2,0,0]=4 15652 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000758301_100000211840 [0,2,0,0,0,0|2,0,0]=4 15653 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000187163_100000758301 [0,2,0,0,0,0|2,0,0]=4 15654 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000758301_100000187163 [0,2,0,0,0,0|2,0,0]=4 15655 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000230114_100000758301 [0,2,0,0,0,0|2,0,0]=4 15656 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000758301_100000230114 [0,2,0,0,0,0|2,0,0]=4 15657 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100000758301_100011218688 [0,2,0,0,0,0|2,0,0]=4 15658 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100011218688_100000758301 [0,2,0,0,0,0|2,0,0]=4 15659 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100000758301_100011660834 [0,2,0,0,0,0|2,0,0]=4 15660 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100011660834_100000758301 [0,2,0,0,0,0|2,0,0]=4 15661 B13R1.15 CCC(O)CNc1cc(ccn1)F 27a_100011218483_100000764206 [0,2,0,0,0,0|2,0,0]=4 15662 B13R1.15 CCC(O)CNc1cc[nH]c(=O)c1 27a_100011218483_100000061649 [0,2,0,0,0,0|2,0,0]=4 15663 B13R1.15 CCC(O)CNc1cccc(c1)Br 34a_100000210019_100011218378 [0,2,0,0,0,0|1,0,0]=3 15664 B13R1.15 CCC(O)CNc1cccc(c1)C 2230a_100000188690_100011218378 [0,2,0,0,0,0|1,0,0]=3 15665 B13R1.15 CCC(O)CNc1cccc(c1)C 34a_100000188690_100011218378 [0,2,0,0,0,0|1,0,0]=3 15666 B13R1.15 CCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218378 [0,2,0,0,0,0|1,0,0]=3 15667 B13R1.15 CCC(O)CNc1cccc(c1)F 34a_100000210047_100011218378 [0,2,0,0,0,0|1,0,0]=3 15668 B13R1.15 CCC(O)CNc1cccc(c1)I 34a_100000211102_100011218378 [0,2,0,0,0,0|1,0,0]=3 15669 B13R1.15 CCC(O)CNc1cccc(c1)O 34a_100000210217_100011218378 [0,2,0,0,0,0|1,0,0]=3 15670 B13R1.15 CCC(O)CNc1cccc(n1)F 27a_100011218483_100009815982 [0,2,0,0,0,0|2,0,0]=4 15671 B13R1.15 CCC(O)CNc1ccnc(c1)C 27a_100011218483_100000758586 [0,2,0,0,0,0|2,0,0]=4 15672 B13R1.15 CCC(O)CNc1ccnc(c1)F 27a_100011218483_100009816116 [0,2,0,0,0,0|2,0,0]=4 15673 B13R1.15 CCC(O)COc1cc[nH]c(=O)c1 34a_100000032262_100011218378 [0,2,0,0,0,0|2,0,0]=4 15674 B13R1.15 CCC(O)COc1ccc[n+](c1)[O-] 34a_100000039713_100011218378 [0,2,0,0,0,0|2,0,0]=4 15675 B13R1.15 CCC(O)COc1ccc[n+](c1)[O-] 7a_100000039713_100011218378 [0,2,0,0,0,0|2,0,0]=4 15676 B13R1.15 CCC(O)COc1cccc(=O)[nH]1 34a_100000033347_100011218378 [0,2,0,0,0,0|2,0,0]=4 15677 B13R1.15 CCC(O)COc1cccc(c1)Br 34a_100000210342_100011218378 [0,2,0,0,0,0|1,0,0]=3 15678 B13R1.15 CCC(O)COc1cccc(c1)Br 7a_100000210342_100011218378 [0,2,0,0,0,0|1,0,0]=3 15679 B13R1.15 CCC(O)COc1cccc(c1)C 34a_100000210337_100011218378 [0,2,0,0,0,0|1,0,0]=3 15680 B13R1.15 CCC(O)COc1cccc(c1)C 7a_100000210337_100011218378 [0,2,0,0,0,0|1,0,0]=3 15681 B13R1.15 CCC(O)COc1cccc(c1)Cl 34a_100000210295_100011218378 [0,2,0,0,0,0|1,0,0]=3 15682 B13R1.15 CCC(O)COc1cccc(c1)Cl 7a_100000210295_100011218378 [0,2,0,0,0,0|1,0,0]=3 15683 B13R1.15 CCC(O)COc1cccc(c1)F 34a_100000210426_100011218378 [0,2,0,0,0,0|1,0,0]=3 15684 B13R1.15 CCC(O)COc1cccc(c1)F 7a_100000210426_100011218378 [0,2,0,0,0,0|1,0,0]=3 15685 B13R1.15 CCC(O)COc1cccc(c1)I 34a_100000211634_100011218378 [0,2,0,0,0,0|1,0,0]=3 15686 B13R1.15 CCC(O)COc1cccc(c1)I 7a_100000211634_100011218378 [0,2,0,0,0,0|1,0,0]=3 15687 B13R1.15 CCC(O)COc1cccc(c1)N 34a_100000210217_100011218378 [0,2,0,0,0,0|1,0,0]=3 15688 B13R1.15 CCC(O)COc1cccc(n1)F 34a_100011432558_100011218378 [0,2,0,0,0,0|2,0,0]=4 15689 B13R1.15 CCC(O)COc1ccnc(c1)C 34a_100000688365_100011218378 [0,2,0,0,0,0|2,0,0]=4 15690 B13R1.15 CCC(O)COc1ccnc(c1)Cl 34a_100000762945_100011218378 [0,2,0,0,0,0|2,0,0]=4 15691 B13R1.15 CCC(O)COc1ccnc(c1)F 34a_100000732698_100011218378 [0,2,0,0,0,0|2,0,0]=4 15692 B13R1.15 CCC(O)COc1ccnc(c1)N 34a_100011834064_100011218378 [0,2,0,0,0,0|2,0,0]=4 15693 B13R1.15 CCC(O)COc1cncc(c1)Br 34a_100000754920_100011218378 [0,2,0,0,0,0|2,0,0]=4 15694 B13R1.15 CCC(O)COc1cncc(c1)Br 7a_100000754920_100011218378 [0,2,0,0,0,0|2,0,0]=4 15695 B13R1.15 CCC(O)COc1cncc(c1)C 34a_100011830280_100011218378 [0,2,0,0,0,0|2,0,0]=4 15696 B13R1.15 CCC(O)COc1cncc(c1)C 7a_100011830280_100011218378 [0,2,0,0,0,0|2,0,0]=4 15697 B13R1.15 CCC(O)COc1cncc(c1)Cl 7a_100000032511_100011218378 [0,2,0,0,0,0|2,0,0]=4 15698 B13R1.15 CCC(O)COc1cncc(c1)F 34a_100011830296_100011218378 [0,2,0,0,0,0|2,0,0]=4 15699 B13R1.15 CCC(O)COc1cncc(c1)F 7a_100011830296_100011218378 [0,2,0,0,0,0|2,0,0]=4 15700 B13R1.15 CCC(O)COc1cncc(c1)N 34a_100011997051_100011218378 [0,2,0,0,0,0|2,0,0]=4 15701 B13R1.15 CCC(O)CSc1cc(=O)cc[nH]1 62a_100009817434_100011218378 [0,2,0,0,0,0|2,0,0]=4 15702 B13R1.15 CCC(O)CSc1cc(ccn1)C 62a_100000750283_100011218378 [0,2,0,0,0,0|2,0,0]=4 15703 B13R1.15 CCC(O)CSc1cc(ccn1)C 62a_100011218378_100000750283 [0,2,0,0,0,0|2,0,0]=4 15704 B13R1.15 CCC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011218378 [0,2,0,0,0,0|2,0,0]=4 15705 B13R1.15 CCC(O)CSc1cc(ccn1)Cl 62a_100011218378_100010167805 [0,2,0,0,0,0|2,0,0]=4 15706 B13R1.15 CCC(O)CSc1cc(ccn1)F 62a_100000764206_100011218378 [0,2,0,0,0,0|2,0,0]=4 15707 B13R1.15 CCC(O)CSc1cc(ccn1)F 62a_100011218378_100000764206 [0,2,0,0,0,0|2,0,0]=4 15708 B13R1.15 CCC(O)CSc1cc(ccn1)N 62a_100009814236_100011218378 [0,2,0,0,0,0|2,0,0]=4 15709 B13R1.15 CCC(O)CSc1cc(ccn1)N 62a_100011218378_100009814236 [0,2,0,0,0,0|2,0,0]=4 15710 B13R1.15 CCC(O)CSc1cc(ccn1)O 62a_100011218378_100000762945 [0,2,0,0,0,0|2,0,0]=4 15711 B13R1.15 CCC(O)CSc1cc[nH]c(=O)c1 62a_100009816521_100011218378 [0,2,0,0,0,0|2,0,0]=4 15712 B13R1.15 CCC(O)CSc1cc[nH]c(=O)c1 62a_100011218378_100009816521 [0,2,0,0,0,0|2,0,0]=4 15713 B13R1.15 CCC(O)CSc1ccc[n+](c1)C 62a_100009996589_100011218378 [0,2,0,0,0,0|2,0,0]=4 15714 B13R1.15 CCC(O)CSc1ccc[n+](c1)C 62a_100011218378_100009996589 [0,2,0,0,0,0|2,0,0]=4 15715 B13R1.15 CCC(O)CSc1ccc[n+](c1)[O-] 62a_100011218378_100009815978 [0,2,0,0,0,0|2,0,0]=4 15716 B13R1.15 CCC(O)CSc1cccc(=O)[nH]1 62a_100011218378_100000752884 [0,2,0,0,0,0|2,0,0]=4 15717 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100000691529_100011218378 [0,2,0,0,0,0|1,0,0]=3 15718 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100011218378_100000691529 [0,2,0,0,0,0|1,0,0]=3 15719 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011215228_100011218378 [0,2,0,0,0,0|1,0,0]=3 15720 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011218378_100011215228 [0,2,0,0,0,0|1,0,0]=3 15721 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218378 [0,2,0,0,0,0|1,0,0]=3 15722 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100011218378_100000699651 [0,2,0,0,0,0|1,0,0]=3 15723 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100000685547_100011218378 [0,2,0,0,0,0|1,0,0]=3 15724 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100011218378_100000685547 [0,2,0,0,0,0|1,0,0]=3 15725 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100000210019_100011218378 [0,2,0,0,0,0|1,0,0]=3 15726 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100011218378_100000210019 [0,2,0,0,0,0|1,0,0]=3 15727 B13R1.15 CCC(O)CSc1cccc(c1)O 62a_100011218378_100000211634 [0,2,0,0,0,0|1,0,0]=3 15728 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_100011218378_114929384022 [0,2,0,0,0,0|1,0,0]=3 15729 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218378 [0,2,0,0,0,0|1,0,0]=3 15730 B13R1.15 CCC(O)CSc1cccc(n1)Br 62a_100000684672_100011218378 [0,2,0,0,0,0|2,0,0]=4 15731 B13R1.15 CCC(O)CSc1cccc(n1)Br 62a_100011218378_100000684672 [0,2,0,0,0,0|2,0,0]=4 15732 B13R1.15 CCC(O)CSc1cccc(n1)C 62a_100000742759_100011218378 [0,2,0,0,0,0|2,0,0]=4 15733 B13R1.15 CCC(O)CSc1cccc(n1)C 62a_100011218378_100000742759 [0,2,0,0,0,0|2,0,0]=4 15734 B13R1.15 CCC(O)CSc1cccc(n1)Cl 62a_100000051397_100011218378 [0,2,0,0,0,0|2,0,0]=4 15735 B13R1.15 CCC(O)CSc1cccc(n1)Cl 62a_100011218378_100000051397 [0,2,0,0,0,0|2,0,0]=4 15736 B13R1.15 CCC(O)CSc1cccc(n1)F 62a_100009815982_100011218378 [0,2,0,0,0,0|2,0,0]=4 15737 B13R1.15 CCC(O)CSc1cccc(n1)F 62a_100011218378_100009815982 [0,2,0,0,0,0|2,0,0]=4 15738 B13R1.15 CCC(O)CSc1cccc(n1)N 62a_100000740741_100011218378 [0,2,0,0,0,0|2,0,0]=4 15739 B13R1.15 CCC(O)CSc1cccc(n1)N 62a_100011218378_100000740741 [0,2,0,0,0,0|2,0,0]=4 15740 B13R1.15 CCC(O)CSc1ccnc(c1)Br 62a_100009814637_100011218378 [0,2,0,0,0,0|2,0,0]=4 15741 B13R1.15 CCC(O)CSc1ccnc(c1)Br 62a_100011218378_100009814637 [0,2,0,0,0,0|2,0,0]=4 15742 B13R1.15 CCC(O)CSc1ccnc(c1)C 62a_100000758586_100011218378 [0,2,0,0,0,0|2,0,0]=4 15743 B13R1.15 CCC(O)CSc1ccnc(c1)C 62a_100011218378_100000758586 [0,2,0,0,0,0|2,0,0]=4 15744 B13R1.15 CCC(O)CSc1ccnc(c1)Cl 62a_100000035001_100011218378 [0,2,0,0,0,0|2,0,0]=4 15745 B13R1.15 CCC(O)CSc1ccnc(c1)Cl 62a_100011218378_100000035001 [0,2,0,0,0,0|2,0,0]=4 15746 B13R1.15 CCC(O)CSc1ccnc(c1)F 62a_100009816116_100011218378 [0,2,0,0,0,0|2,0,0]=4 15747 B13R1.15 CCC(O)CSc1ccnc(c1)F 62a_100011218378_100009816116 [0,2,0,0,0,0|2,0,0]=4 15748 B13R1.15 CCC(O)CSc1ccnc(c1)N 62a_100000049665_100011218378 [0,2,0,0,0,0|2,0,0]=4 15749 B13R1.15 CCC(O)CSc1ccnc(c1)N 62a_100011218378_100000049665 [0,2,0,0,0,0|2,0,0]=4 15750 B13R1.15 CCC(O)CSc1cncc(c1)Br 62a_100000728054_100011218378 [0,2,0,0,0,0|2,0,0]=4 15751 B13R1.15 CCC(O)CSc1cncc(c1)Br 62a_100011218378_100000728054 [0,2,0,0,0,0|2,0,0]=4 15752 B13R1.15 CCC(O)CSc1cncc(c1)C 62a_100000760492_100011218378 [0,2,0,0,0,0|2,0,0]=4 15753 B13R1.15 CCC(O)CSc1cncc(c1)C 62a_100011218378_100000760492 [0,2,0,0,0,0|2,0,0]=4 15754 B13R1.15 CCC(O)CSc1cncc(c1)Cl 62a_100000049639_100011218378 [0,2,0,0,0,0|2,0,0]=4 15755 B13R1.15 CCC(O)CSc1cncc(c1)Cl 62a_100011218378_100000049639 [0,2,0,0,0,0|2,0,0]=4 15756 B13R1.15 CCC(O)CSc1cncc(c1)F 62a_100000744099_100011218378 [0,2,0,0,0,0|2,0,0]=4 15757 B13R1.15 CCC(O)CSc1cncc(c1)F 62a_100011218378_100000744099 [0,2,0,0,0,0|2,0,0]=4 15758 B13R1.15 CCC(O)CSc1cncc(c1)N 62a_100000687067_100011218378 [0,2,0,0,0,0|2,0,0]=4 15759 B13R1.15 CCC(O)CSc1cncc(c1)N 62a_100011218378_100000687067 [0,2,0,0,0,0|2,0,0]=4 15760 B13R1.15 CCC(O)CSc1cncc(c1)O 62a_100000754920_100011218378 [0,2,0,0,0,0|2,0,0]=4 15761 B13R1.15 CCC(O)CSc1cncc(c1)O 62a_100011218378_100000754920 [0,2,0,0,0,0|2,0,0]=4 15762 B13R1.15 CCN(C)CCc1cccc(c1)Br 2230a_100000225621_100011740638 [0,2,0,0,0,0|2,0,0]=4 15763 B13R1.15 CCN(C)CCc1cccc(c1)Br 269982a_100000225621_100011740638 [0,2,0,0,0,0|2,0,0]=4 15764 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_100000225621_100011713685 [0,2,0,0,0,0|2,0,0]=4 15765 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210202 [0,2,0,0,0,0|2,0,0]=4 15766 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_100000225621_100011713685 [0,2,0,0,0,0|2,0,0]=4 15767 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_114849113767_100000204670 [0,2,0,0,0,0|2,0,0]=4 15768 B13R1.15 CCN(C)CCc1cccc(c1)C 34a_114849113767_100000210202 [0,2,0,0,0,0|2,0,0]=4 15769 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_100000225621_100011713710 [0,2,0,0,0,0|2,0,0]=4 15770 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210202 [0,2,0,0,0,0|2,0,0]=4 15771 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_100000225621_100011713710 [0,2,0,0,0,0|2,0,0]=4 15772 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000204670 [0,2,0,0,0,0|2,0,0]=4 15773 B13R1.15 CCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000210202 [0,2,0,0,0,0|2,0,0]=4 15774 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_100000225621_100011217235 [0,2,0,0,0,0|2,0,0]=4 15775 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210202 [0,2,0,0,0,0|2,0,0]=4 15776 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_100000225621_100011217235 [0,2,0,0,0,0|2,0,0]=4 15777 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_106726388868_100000204670 [0,2,0,0,0,0|2,0,0]=4 15778 B13R1.15 CCN(C)CCc1cccc(c1)F 34a_106726388868_100000210202 [0,2,0,0,0,0|2,0,0]=4 15779 B13R1.15 CC[C@H](C)CNc1cccc(c1)Br 34a_100000210019_100009816398 [0,2,0,0,0,0|2,0,0]=4 15780 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 2230a_100000188690_100009816398 [0,2,0,0,0,0|2,0,0]=4 15781 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 34a_100000188690_100009816398 [0,2,0,0,0,0|2,0,0]=4 15782 B13R1.15 CC[C@H](C)CNc1cccc(c1)Cl 34a_100000185859_100009816398 [0,2,0,0,0,0|2,0,0]=4 15783 B13R1.15 CC[C@H](C)CNc1cccc(c1)F 34a_100000210047_100009816398 [0,2,0,0,0,0|2,0,0]=4 15784 B13R1.15 CC[C@H](C)CNc1cccc(c1)I 34a_100000211102_100009816398 [0,2,0,0,0,0|2,0,0]=4 15785 B13R1.15 CC[C@H](C)CNc1cccc(c1)O 34a_100000210217_100009816398 [0,2,0,0,0,0|2,0,0]=4 15786 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 34a_100000210342_100009816398 [0,2,0,0,0,0|2,0,0]=4 15787 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 7a_100000210342_100009816398 [0,2,0,0,0,0|2,0,0]=4 15788 B13R1.15 CC[C@H](C)COc1cccc(c1)C 34a_100000210337_100009816398 [0,2,0,0,0,0|2,0,0]=4 15789 B13R1.15 CC[C@H](C)COc1cccc(c1)C 7a_100000210337_100009816398 [0,2,0,0,0,0|2,0,0]=4 15790 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 34a_100000210295_100009816398 [0,2,0,0,0,0|2,0,0]=4 15791 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 7a_100000210295_100009816398 [0,2,0,0,0,0|2,0,0]=4 15792 B13R1.15 CC[C@H](C)COc1cccc(c1)F 34a_100000210426_100009816398 [0,2,0,0,0,0|2,0,0]=4 15793 B13R1.15 CC[C@H](C)COc1cccc(c1)F 7a_100000210426_100009816398 [0,2,0,0,0,0|2,0,0]=4 15794 B13R1.15 CC[C@H](C)COc1cccc(c1)I 34a_100000211634_100009816398 [0,2,0,0,0,0|2,0,0]=4 15795 B13R1.15 CC[C@H](C)COc1cccc(c1)I 7a_100000211634_100009816398 [0,2,0,0,0,0|2,0,0]=4 15796 B13R1.15 CC[C@H](C)COc1cccc(c1)N 34a_100000210217_100009816398 [0,2,0,0,0,0|2,0,0]=4 15797 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100000691529_100009816398 [0,2,0,0,0,0|2,0,0]=4 15798 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100009816398_100000691529 [0,2,0,0,0,0|2,0,0]=4 15799 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100009816398_100011215228 [0,2,0,0,0,0|2,0,0]=4 15800 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100011215228_100009816398 [0,2,0,0,0,0|2,0,0]=4 15801 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100000699651_100009816398 [0,2,0,0,0,0|2,0,0]=4 15802 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100009816398_100000699651 [0,2,0,0,0,0|2,0,0]=4 15803 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100000685547_100009816398 [0,2,0,0,0,0|2,0,0]=4 15804 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100009816398_100000685547 [0,2,0,0,0,0|2,0,0]=4 15805 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100000210019_100009816398 [0,2,0,0,0,0|2,0,0]=4 15806 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100009816398_100000210019 [0,2,0,0,0,0|2,0,0]=4 15807 B13R1.15 CC[C@H](C)CSc1cccc(c1)O 62a_100009816398_100000211634 [0,2,0,0,0,0|2,0,0]=4 15808 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_100009816398_114929384022 [0,2,0,0,0,0|2,0,0]=4 15809 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_114929384022_100009816398 [0,2,0,0,0,0|2,0,0]=4 15810 B13R1.15 CN(CF)CCc1cccc(c1)Cl 269982a_106726388433_100015361967 [0,2,0,0,0,0|2,0,0]=4 15811 B13R1.15 CN(CF)CCc1cccc(c1)Cl 34a_106726388433_100015361967 [0,2,0,0,0,0|2,0,0]=4 15812 B13R1.15 CN(CF)CCc1cccc(c1)F 269982a_106726388868_100015361967 [0,2,0,0,0,0|2,0,0]=4 15813 B13R1.15 CN(CF)CCc1cccc(c1)F 34a_106726388868_100015361967 [0,2,0,0,0,0|2,0,0]=4 15814 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [0,2,0,0,0,0|0,0,2]=4 15815 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [0,2,0,0,0,0|0,0,2]=4 15816 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [0,2,0,0,0,0|0,0,2]=4 15817 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [0,2,0,0,0,0|0,0,2]=4 15818 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [0,2,0,0,0,0|0,0,2]=4 15819 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [0,2,0,0,0,0|0,0,2]=4 15820 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [0,2,0,0,0,0|0,0,2]=4 15821 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [0,2,0,0,0,0|0,0,2]=4 15822 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [0,2,0,0,0,0|0,0,2]=4 15823 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [0,2,0,0,0,0|0,0,2]=4 15824 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [0,2,0,0,0,0|0,0,2]=4 15825 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [0,2,0,0,0,0|0,0,2]=4 15826 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [0,2,0,0,0,0|0,0,2]=4 15827 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [0,2,0,0,0,0|0,0,2]=4 15828 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [0,2,0,0,0,0|0,0,2]=4 15829 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [0,2,0,0,0,0|0,0,2]=4 15830 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [0,2,0,0,0,0|0,0,2]=4 15831 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [0,2,0,0,0,0|0,0,2]=4 15832 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [0,2,0,0,0,0|0,0,2]=4 15833 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [0,2,0,0,0,0|0,0,2]=4 15834 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [0,2,0,0,0,0|0,0,2]=4 15835 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [0,2,0,0,0,0|0,0,2]=4 15836 B13R1.15 CNC(C)CCc1cccc(c1)Br 270004a_106832991635_100011279149 [0,2,0,0,0,0|1,0,0]=3 15837 B13R1.15 CNC(C)CCc1cccc(c1)F 270004a_106832991635_100000743863 [0,2,0,0,0,0|1,0,0]=3 15838 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,2,0,0,0,0|0,0,2]=4 15839 B13R1.15 COC(C)COc1cccc(c1)C 34a_200011219432_200000210301 [0,2,0,0,0,0|1,0,0]=3 15840 B13R1.15 COC(C)COc1cccc(c1)C 7a_200011219432_200000210301 [0,2,0,0,0,0|1,0,0]=3 15841 B13R1.15 COC(C)SCc1cc(ccn1)Br 62a_100009879195_100010173614 [0,2,0,0,0,0|2,0,0]=4 15842 B13R1.15 COC(C)SCc1cc(ccn1)Br 62a_100010173614_100009879195 [0,2,0,0,0,0|2,0,0]=4 15843 B13R1.15 COC(C)SCc1cc(ccn1)C 62a_100000718516_100009879195 [0,2,0,0,0,0|2,0,0]=4 15844 B13R1.15 COC(C)SCc1cc(ccn1)C 62a_100009879195_100000718516 [0,2,0,0,0,0|2,0,0]=4 15845 B13R1.15 COC(C)SCc1cc(ccn1)Cl 62a_100009879195_100016988179 [0,2,0,0,0,0|2,0,0]=4 15846 B13R1.15 COC(C)SCc1cc(ccn1)Cl 62a_100016988179_100009879195 [0,2,0,0,0,0|2,0,0]=4 15847 B13R1.15 COC(C)SCc1cccc(c1)Br 62a_100000211773_100009879195 [0,2,0,0,0,0|1,0,0]=3 15848 B13R1.15 COC(C)SCc1cccc(c1)Br 62a_100009879195_100000211773 [0,2,0,0,0,0|1,0,0]=3 15849 B13R1.15 COC(C)SCc1cccc(c1)C 62a_100000211840_100009879195 [0,2,0,0,0,0|1,0,0]=3 15850 B13R1.15 COC(C)SCc1cccc(c1)C 62a_100009879195_100000211840 [0,2,0,0,0,0|1,0,0]=3 15851 B13R1.15 COC(C)SCc1cccc(c1)Cl 62a_100000187163_100009879195 [0,2,0,0,0,0|1,0,0]=3 15852 B13R1.15 COC(C)SCc1cccc(c1)Cl 62a_100009879195_100000187163 [0,2,0,0,0,0|1,0,0]=3 15853 B13R1.15 COC(C)SCc1cccc(c1)F 62a_100000230114_100009879195 [0,2,0,0,0,0|1,0,0]=3 15854 B13R1.15 COC(C)SCc1cccc(c1)F 62a_100009879195_100000230114 [0,2,0,0,0,0|1,0,0]=3 15855 B13R1.15 COC(C)SCc1cccc(c1)I 62a_100009879195_100011218688 [0,2,0,0,0,0|1,0,0]=3 15856 B13R1.15 COC(C)SCc1cccc(c1)I 62a_100011218688_100009879195 [0,2,0,0,0,0|1,0,0]=3 15857 B13R1.15 COC(C)SCc1cccc(c1)O 62a_100009879195_100011660834 [0,2,0,0,0,0|1,0,0]=3 15858 B13R1.15 COC(C)SCc1cccc(c1)O 62a_100011660834_100009879195 [0,2,0,0,0,0|1,0,0]=3 15859 B13R1.15 COC(C)SCc1cccc(n1)Br 62a_100009879195_100009889011 [0,2,0,0,0,0|2,0,0]=4 15860 B13R1.15 COC(C)SCc1cccc(n1)Br 62a_100009889011_100009879195 [0,2,0,0,0,0|2,0,0]=4 15861 B13R1.15 COC(C)SCc1cccc(n1)C 62a_100000757606_100009879195 [0,2,0,0,0,0|2,0,0]=4 15862 B13R1.15 COC(C)SCc1cccc(n1)C 62a_100009879195_100000757606 [0,2,0,0,0,0|2,0,0]=4 15863 B13R1.15 COC(C)SCc1cccc(n1)Cl 62a_100000086093_100009879195 [0,2,0,0,0,0|2,0,0]=4 15864 B13R1.15 COC(C)SCc1cccc(n1)Cl 62a_100009879195_100000086093 [0,2,0,0,0,0|2,0,0]=4 15865 B13R1.15 COC(C)SCc1cccc(n1)F 62a_100009819644_100009879195 [0,2,0,0,0,0|2,0,0]=4 15866 B13R1.15 COC(C)SCc1cccc(n1)F 62a_100009879195_100009819644 [0,2,0,0,0,0|2,0,0]=4 15867 B13R1.15 COC(C)SCc1ccnc(c1)Br 62a_100009879195_100010243470 [0,2,0,0,0,0|2,0,0]=4 15868 B13R1.15 COC(C)SCc1ccnc(c1)Br 62a_100010254460_100009879195 [0,2,0,0,0,0|2,0,0]=4 15869 B13R1.15 COC(C)SCc1ccnc(c1)C 62a_100009879195_200020672517 [0,2,0,0,0,0|2,0,0]=4 15870 B13R1.15 COC(C)SCc1ccnc(c1)C 62a_200020672517_100009879195 [0,2,0,0,0,0|2,0,0]=4 15871 B13R1.15 COC(C)SCc1ccnc(c1)Cl 62a_100000764220_100009879195 [0,2,0,0,0,0|2,0,0]=4 15872 B13R1.15 COC(C)SCc1ccnc(c1)Cl 62a_100009879195_100000764220 [0,2,0,0,0,0|2,0,0]=4 15873 B13R1.15 COC(C)SCc1cncc(c1)Br 62a_100000738771_100009879195 [0,2,0,0,0,0|2,0,0]=4 15874 B13R1.15 COC(C)SCc1cncc(c1)Br 62a_100009879195_100000738771 [0,2,0,0,0,0|2,0,0]=4 15875 B13R1.15 COC(C)SCc1cncc(c1)C 62a_100000716715_100009879195 [0,2,0,0,0,0|2,0,0]=4 15876 B13R1.15 COC(C)SCc1cncc(c1)C 62a_100009879195_100000716715 [0,2,0,0,0,0|2,0,0]=4 15877 B13R1.15 COC(C)SCc1cncc(c1)Cl 62a_100009879195_100016992070 [0,2,0,0,0,0|2,0,0]=4 15878 B13R1.15 COC(C)SCc1cncc(c1)Cl 62a_100016992070_100009879195 [0,2,0,0,0,0|2,0,0]=4 15879 B13R1.15 COC(C)SCc1cncc(c1)F 62a_100000725299_100009879195 [0,2,0,0,0,0|2,0,0]=4 15880 B13R1.15 COC(C)SCc1cncc(c1)F 62a_100009879195_100000725299 [0,2,0,0,0,0|2,0,0]=4 15881 B13R1.15 CO[C@H](C)CNc1cc(ccn1)F 27a_100020591295_100000764206 [0,2,0,0,0,0|2,0,0]=4 15882 B13R1.15 CO[C@H](C)CNc1cc[nH]c(=O)c1 27a_100020591295_100000061649 [0,2,0,0,0,0|2,0,0]=4 15883 B13R1.15 CO[C@H](C)CNc1cccc(n1)F 27a_100020591295_100009815982 [0,2,0,0,0,0|2,0,0]=4 15884 B13R1.15 CO[C@H](C)CNc1ccnc(c1)C 27a_100020591295_100000758586 [0,2,0,0,0,0|2,0,0]=4 15885 B13R1.15 CO[C@H](C)CNc1ccnc(c1)F 27a_100020591295_100009816116 [0,2,0,0,0,0|2,0,0]=4 15886 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Br 34a_100000210019_100000059175 [0,2,0,0,0,0|1,0,0]=3 15887 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Cl 34a_100000185859_100000059175 [0,2,0,0,0,0|1,0,0]=3 15888 B13R1.15 C[C@@H](CO)CNc1cccc(c1)F 34a_100000210047_100000059175 [0,2,0,0,0,0|1,0,0]=3 15889 B13R1.15 C[C@@H](CO)CNc1cccc(c1)I 34a_100000211102_100000059175 [0,2,0,0,0,0|1,0,0]=3 15890 B13R1.15 C[C@@H](CO)CNc1cccc(c1)O 34a_100000210217_100000059175 [0,2,0,0,0,0|1,0,0]=3 15891 B13R1.15 C[C@@H](CO)COc1cc[nH]c(=O)c1 34a_100000032262_100000059175 [0,2,0,0,0,0|2,0,0]=4 15892 B13R1.15 C[C@@H](CO)COc1ccc[n+](c1)[O-] 34a_100000039713_100000059175 [0,2,0,0,0,0|2,0,0]=4 15893 B13R1.15 C[C@@H](CO)COc1ccc[n+](c1)[O-] 7a_100000039713_100000059175 [0,2,0,0,0,0|2,0,0]=4 15894 B13R1.15 C[C@@H](CO)COc1cccc(=O)[nH]1 34a_100000033347_100000059175 [0,2,0,0,0,0|2,0,0]=4 15895 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 34a_100000210342_100000059175 [0,2,0,0,0,0|1,0,0]=3 15896 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 7a_100000210342_100000059175 [0,2,0,0,0,0|1,0,0]=3 15897 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 34a_100000210295_100000059175 [0,2,0,0,0,0|1,0,0]=3 15898 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 7a_100000210295_100000059175 [0,2,0,0,0,0|1,0,0]=3 15899 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 34a_100000210426_100000059175 [0,2,0,0,0,0|1,0,0]=3 15900 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 7a_100000210426_100000059175 [0,2,0,0,0,0|1,0,0]=3 15901 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 34a_100000211634_100000059175 [0,2,0,0,0,0|1,0,0]=3 15902 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 7a_100000211634_100000059175 [0,2,0,0,0,0|1,0,0]=3 15903 B13R1.15 C[C@@H](CO)COc1cccc(c1)N 34a_100000210217_100000059175 [0,2,0,0,0,0|1,0,0]=3 15904 B13R1.15 C[C@@H](CO)COc1cccc(n1)F 34a_100011432558_100000059175 [0,2,0,0,0,0|2,0,0]=4 15905 B13R1.15 C[C@@H](CO)COc1ccnc(c1)Cl 34a_100000762945_100000059175 [0,2,0,0,0,0|2,0,0]=4 15906 B13R1.15 C[C@@H](CO)COc1ccnc(c1)F 34a_100000732698_100000059175 [0,2,0,0,0,0|2,0,0]=4 15907 B13R1.15 C[C@@H](CO)COc1ccnc(c1)N 34a_100011834064_100000059175 [0,2,0,0,0,0|2,0,0]=4 15908 B13R1.15 C[C@@H](CO)COc1cncc(c1)Br 34a_100000754920_100000059175 [0,2,0,0,0,0|2,0,0]=4 15909 B13R1.15 C[C@@H](CO)COc1cncc(c1)Br 7a_100000754920_100000059175 [0,2,0,0,0,0|2,0,0]=4 15910 B13R1.15 C[C@@H](CO)COc1cncc(c1)Cl 7a_100000032511_100000059175 [0,2,0,0,0,0|2,0,0]=4 15911 B13R1.15 C[C@@H](CO)COc1cncc(c1)F 34a_100011830296_100000059175 [0,2,0,0,0,0|2,0,0]=4 15912 B13R1.15 C[C@@H](CO)COc1cncc(c1)F 7a_100011830296_100000059175 [0,2,0,0,0,0|2,0,0]=4 15913 B13R1.15 C[C@@H](CO)COc1cncc(c1)N 34a_100011997051_100000059175 [0,2,0,0,0,0|2,0,0]=4 15914 B13R1.15 C[C@@H](CO)CSc1cc(=O)cc[nH]1 62a_100009817434_100000059175 [0,2,0,0,0,0|2,0,0]=4 15915 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)Cl 62a_100000059175_100010167805 [0,2,0,0,0,0|2,0,0]=4 15916 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)Cl 62a_100010167805_100000059175 [0,2,0,0,0,0|2,0,0]=4 15917 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)F 62a_100000059175_100000764206 [0,2,0,0,0,0|2,0,0]=4 15918 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)F 62a_100000764206_100000059175 [0,2,0,0,0,0|2,0,0]=4 15919 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)N 62a_100000059175_100009814236 [0,2,0,0,0,0|2,0,0]=4 15920 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)N 62a_100009814236_100000059175 [0,2,0,0,0,0|2,0,0]=4 15921 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)O 62a_100000059175_100000762945 [0,2,0,0,0,0|2,0,0]=4 15922 B13R1.15 C[C@@H](CO)CSc1cc[nH]c(=O)c1 62a_100000059175_100009816521 [0,2,0,0,0,0|2,0,0]=4 15923 B13R1.15 C[C@@H](CO)CSc1cc[nH]c(=O)c1 62a_100009816521_100000059175 [0,2,0,0,0,0|2,0,0]=4 15924 B13R1.15 C[C@@H](CO)CSc1ccc[n+](c1)C 62a_100000059175_100009996589 [0,2,0,0,0,0|2,0,0]=4 15925 B13R1.15 C[C@@H](CO)CSc1ccc[n+](c1)C 62a_100009996589_100000059175 [0,2,0,0,0,0|2,0,0]=4 15926 B13R1.15 C[C@@H](CO)CSc1ccc[n+](c1)[O-] 62a_100000059175_100009815978 [0,2,0,0,0,0|2,0,0]=4 15927 B13R1.15 C[C@@H](CO)CSc1cccc(=O)[nH]1 62a_100000059175_100000752884 [0,2,0,0,0,0|2,0,0]=4 15928 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000059175_100000691529 [0,2,0,0,0,0|1,0,0]=3 15929 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000691529_100000059175 [0,2,0,0,0,0|1,0,0]=3 15930 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000059175_100000699651 [0,2,0,0,0,0|1,0,0]=3 15931 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000699651_100000059175 [0,2,0,0,0,0|1,0,0]=3 15932 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000059175_100000685547 [0,2,0,0,0,0|1,0,0]=3 15933 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000685547_100000059175 [0,2,0,0,0,0|1,0,0]=3 15934 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000059175_100000210019 [0,2,0,0,0,0|1,0,0]=3 15935 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000210019_100000059175 [0,2,0,0,0,0|1,0,0]=3 15936 B13R1.15 C[C@@H](CO)CSc1cccc(c1)O 62a_100000059175_100000211634 [0,2,0,0,0,0|1,0,0]=3 15937 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_100000059175_114929384022 [0,2,0,0,0,0|1,0,0]=3 15938 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_114929384022_100000059175 [0,2,0,0,0,0|1,0,0]=3 15939 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Br 62a_100000059175_100000684672 [0,2,0,0,0,0|2,0,0]=4 15940 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Br 62a_100000684672_100000059175 [0,2,0,0,0,0|2,0,0]=4 15941 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Cl 62a_100000051397_100000059175 [0,2,0,0,0,0|2,0,0]=4 15942 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Cl 62a_100000059175_100000051397 [0,2,0,0,0,0|2,0,0]=4 15943 B13R1.15 C[C@@H](CO)CSc1cccc(n1)F 62a_100000059175_100009815982 [0,2,0,0,0,0|2,0,0]=4 15944 B13R1.15 C[C@@H](CO)CSc1cccc(n1)F 62a_100009815982_100000059175 [0,2,0,0,0,0|2,0,0]=4 15945 B13R1.15 C[C@@H](CO)CSc1cccc(n1)N 62a_100000059175_100000740741 [0,2,0,0,0,0|2,0,0]=4 15946 B13R1.15 C[C@@H](CO)CSc1cccc(n1)N 62a_100000740741_100000059175 [0,2,0,0,0,0|2,0,0]=4 15947 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)Br 62a_100000059175_100009814637 [0,2,0,0,0,0|2,0,0]=4 15948 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)Br 62a_100009814637_100000059175 [0,2,0,0,0,0|2,0,0]=4 15949 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)Cl 62a_100000035001_100000059175 [0,2,0,0,0,0|2,0,0]=4 15950 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)Cl 62a_100000059175_100000035001 [0,2,0,0,0,0|2,0,0]=4 15951 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)F 62a_100000059175_100009816116 [0,2,0,0,0,0|2,0,0]=4 15952 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)F 62a_100009816116_100000059175 [0,2,0,0,0,0|2,0,0]=4 15953 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)N 62a_100000049665_100000059175 [0,2,0,0,0,0|2,0,0]=4 15954 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)N 62a_100000059175_100000049665 [0,2,0,0,0,0|2,0,0]=4 15955 B13R1.15 C[C@@H](CO)CSc1cncc(c1)Br 62a_100000059175_100000728054 [0,2,0,0,0,0|2,0,0]=4 15956 B13R1.15 C[C@@H](CO)CSc1cncc(c1)Br 62a_100000728054_100000059175 [0,2,0,0,0,0|2,0,0]=4 15957 B13R1.15 C[C@@H](CO)CSc1cncc(c1)Cl 62a_100000049639_100000059175 [0,2,0,0,0,0|2,0,0]=4 15958 B13R1.15 C[C@@H](CO)CSc1cncc(c1)Cl 62a_100000059175_100000049639 [0,2,0,0,0,0|2,0,0]=4 15959 B13R1.15 C[C@@H](CO)CSc1cncc(c1)F 62a_100000059175_100000744099 [0,2,0,0,0,0|2,0,0]=4 15960 B13R1.15 C[C@@H](CO)CSc1cncc(c1)F 62a_100000744099_100000059175 [0,2,0,0,0,0|2,0,0]=4 15961 B13R1.15 C[C@@H](CO)CSc1cncc(c1)N 62a_100000059175_100000687067 [0,2,0,0,0,0|2,0,0]=4 15962 B13R1.15 C[C@@H](CO)CSc1cncc(c1)N 62a_100000687067_100000059175 [0,2,0,0,0,0|2,0,0]=4 15963 B13R1.15 C[C@@H](CO)CSc1cncc(c1)O 62a_100000059175_100000754920 [0,2,0,0,0,0|2,0,0]=4 15964 B13R1.15 C[C@@H](CO)CSc1cncc(c1)O 62a_100000754920_100000059175 [0,2,0,0,0,0|2,0,0]=4 15965 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 207a_100102880703_100000210085 [0,2,0,0,0,0|2,0,0]=4 15966 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 270004a_100102880703_100000210085 [0,2,0,0,0,0|2,0,0]=4 15967 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 207a_100102880703_100000210801 [0,2,0,0,0,0|2,0,0]=4 15968 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 270004a_100102880703_100000210801 [0,2,0,0,0,0|2,0,0]=4 15969 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 207a_100102880703_100000210812 [0,2,0,0,0,0|2,0,0]=4 15970 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 270004a_100102880703_100000210812 [0,2,0,0,0,0|2,0,0]=4 15971 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 207a_100102880703_100000014684 [0,2,0,0,0,0|2,0,0]=4 15972 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 270004a_100102880703_100000014684 [0,2,0,0,0,0|2,0,0]=4 15973 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 207a_100102880703_100000188321 [0,2,0,0,0,0|2,0,0]=4 15974 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 270004a_100102880703_100000188321 [0,2,0,0,0,0|2,0,0]=4 15975 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 2230a_100000737577_100010173614 [0,2,0,0,0,0|2,0,0]=4 15976 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 270004a_100000737577_100009818557 [0,2,0,0,0,0|2,0,0]=4 15977 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 2230a_100000737577_100016988179 [0,2,0,0,0,0|2,0,0]=4 15978 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 270004a_100000737577_100011998288 [0,2,0,0,0,0|2,0,0]=4 15979 B13R1.15 C[C@H](CO)NCc1cccc(=O)[nH]1 207a_100000737577_100011935257 [0,2,0,0,0,0|2,0,0]=4 15980 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 207a_100000737577_100000210085 [0,2,0,0,0,0|1,0,0]=3 15981 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 2230a_100000737577_100000698116 [0,2,0,0,0,0|1,0,0]=3 15982 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 270004a_100000737577_100000210085 [0,2,0,0,0,0|1,0,0]=3 15983 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 207a_100000737577_100000210801 [0,2,0,0,0,0|1,0,0]=3 15984 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 2230a_100000737577_100000181238 [0,2,0,0,0,0|1,0,0]=3 15985 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 270004a_100000737577_100000210801 [0,2,0,0,0,0|1,0,0]=3 15986 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 207a_100000737577_100000210812 [0,2,0,0,0,0|1,0,0]=3 15987 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 2230a_100000737577_100000230114 [0,2,0,0,0,0|1,0,0]=3 15988 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 270004a_100000737577_100000210812 [0,2,0,0,0,0|1,0,0]=3 15989 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 207a_100000737577_100000014684 [0,2,0,0,0,0|1,0,0]=3 15990 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 2230a_100000737577_100011218688 [0,2,0,0,0,0|1,0,0]=3 15991 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 270004a_100000737577_100000014684 [0,2,0,0,0,0|1,0,0]=3 15992 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 207a_100000737577_100000188321 [0,2,0,0,0,0|1,0,0]=3 15993 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 2230a_100000737577_100011660834 [0,2,0,0,0,0|1,0,0]=3 15994 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 270004a_100000737577_100000188321 [0,2,0,0,0,0|1,0,0]=3 15995 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 2230a_100000737577_100009889011 [0,2,0,0,0,0|2,0,0]=4 15996 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 270004a_100000737577_100000688028 [0,2,0,0,0,0|2,0,0]=4 15997 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 2230a_100000737577_100000086093 [0,2,0,0,0,0|2,0,0]=4 15998 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 270004a_100000737577_100011361687 [0,2,0,0,0,0|2,0,0]=4 15999 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 2230a_100000737577_100009819644 [0,2,0,0,0,0|2,0,0]=4 16000 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 270004a_100000737577_100000050434 [0,2,0,0,0,0|2,0,0]=4 16001 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Br 2230a_100000737577_100010243470 [0,2,0,0,0,0|2,0,0]=4 16002 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Br 270004a_100000737577_100009814634 [0,2,0,0,0,0|2,0,0]=4 16003 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Cl 2230a_100000737577_100000764220 [0,2,0,0,0,0|2,0,0]=4 16004 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Cl 270004a_100000737577_100011290808 [0,2,0,0,0,0|2,0,0]=4 16005 B13R1.15 C[C@H](CO)NCc1ccnc(c1)F 270004a_100000737577_100000068331 [0,2,0,0,0,0|2,0,0]=4 16006 B13R1.15 C[C@H](CO)NCc1ccnc(c1)O 207a_100000737577_100000688113 [0,2,0,0,0,0|2,0,0]=4 16007 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 207a_100000737577_100000687066 [0,2,0,0,0,0|2,0,0]=4 16008 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 2230a_100000737577_100000738771 [0,2,0,0,0,0|2,0,0]=4 16009 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 270004a_100000737577_100000687066 [0,2,0,0,0,0|2,0,0]=4 16010 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 207a_100000737577_100000088910 [0,2,0,0,0,0|2,0,0]=4 16011 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 2230a_100000737577_100016992070 [0,2,0,0,0,0|2,0,0]=4 16012 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 270004a_100000737577_100000088910 [0,2,0,0,0,0|2,0,0]=4 16013 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 207a_100000737577_100011361476 [0,2,0,0,0,0|2,0,0]=4 16014 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 2230a_100000737577_100000725299 [0,2,0,0,0,0|2,0,0]=4 16015 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 270004a_100000737577_100011361476 [0,2,0,0,0,0|2,0,0]=4 16016 B13R1.15 C[C@H](CO)NCc1cncc(c1)O 207a_100000737577_100012187055 [0,2,0,0,0,0|2,0,0]=4 16017 B13R1.15 C[C@H](CO)NCc1cncc(c1)O 270004a_100000737577_100012187055 [0,2,0,0,0,0|2,0,0]=4 16018 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Br 62a_100010173614_100016084084 [0,2,0,0,0,0|2,0,0]=4 16019 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Br 62a_100016084084_100010173614 [0,2,0,0,0,0|2,0,0]=4 16020 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Cl 62a_100016084084_100016988179 [0,2,0,0,0,0|2,0,0]=4 16021 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Cl 62a_100016988179_100016084084 [0,2,0,0,0,0|2,0,0]=4 16022 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100000211773_100016084084 [0,2,0,0,0,0|1,0,0]=3 16023 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100016084084_100000211773 [0,2,0,0,0,0|1,0,0]=3 16024 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100000187163_100016084084 [0,2,0,0,0,0|1,0,0]=3 16025 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100016084084_100000187163 [0,2,0,0,0,0|1,0,0]=3 16026 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100000230114_100016084084 [0,2,0,0,0,0|1,0,0]=3 16027 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100016084084_100000230114 [0,2,0,0,0,0|1,0,0]=3 16028 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100011218688_100016084084 [0,2,0,0,0,0|1,0,0]=3 16029 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100016084084_100011218688 [0,2,0,0,0,0|1,0,0]=3 16030 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100011660834_100016084084 [0,2,0,0,0,0|1,0,0]=3 16031 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100016084084_100011660834 [0,2,0,0,0,0|1,0,0]=3 16032 B13R1.15 C[C@H](CO)SCc1cccc(n1)Br 62a_100009889011_100016084084 [0,2,0,0,0,0|2,0,0]=4 16033 B13R1.15 C[C@H](CO)SCc1cccc(n1)Br 62a_100016084084_100009889011 [0,2,0,0,0,0|2,0,0]=4 16034 B13R1.15 C[C@H](CO)SCc1cccc(n1)Cl 62a_100000086093_100016084084 [0,2,0,0,0,0|2,0,0]=4 16035 B13R1.15 C[C@H](CO)SCc1cccc(n1)Cl 62a_100016084084_100000086093 [0,2,0,0,0,0|2,0,0]=4 16036 B13R1.15 C[C@H](CO)SCc1cccc(n1)F 62a_100009819644_100016084084 [0,2,0,0,0,0|2,0,0]=4 16037 B13R1.15 C[C@H](CO)SCc1cccc(n1)F 62a_100016084084_100009819644 [0,2,0,0,0,0|2,0,0]=4 16038 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Br 62a_100010254460_100016084084 [0,2,0,0,0,0|2,0,0]=4 16039 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Br 62a_100016084084_100010243470 [0,2,0,0,0,0|2,0,0]=4 16040 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Cl 62a_100000764220_100016084084 [0,2,0,0,0,0|2,0,0]=4 16041 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Cl 62a_100016084084_100000764220 [0,2,0,0,0,0|2,0,0]=4 16042 B13R1.15 C[C@H](CO)SCc1cncc(c1)Br 62a_100000738771_100016084084 [0,2,0,0,0,0|2,0,0]=4 16043 B13R1.15 C[C@H](CO)SCc1cncc(c1)Br 62a_100016084084_100000738771 [0,2,0,0,0,0|2,0,0]=4 16044 B13R1.15 C[C@H](CO)SCc1cncc(c1)Cl 62a_100016084084_100016992070 [0,2,0,0,0,0|2,0,0]=4 16045 B13R1.15 C[C@H](CO)SCc1cncc(c1)Cl 62a_100016992070_100016084084 [0,2,0,0,0,0|2,0,0]=4 16046 B13R1.15 C[C@H](CO)SCc1cncc(c1)F 62a_100000725299_100016084084 [0,2,0,0,0,0|2,0,0]=4 16047 B13R1.15 C[C@H](CO)SCc1cncc(c1)F 62a_100016084084_100000725299 [0,2,0,0,0,0|2,0,0]=4 16048 B13R1.15 C[n+]1cccc(c1)SCC(O)CO 62a_100009996589_100011219619 [0,2,0,0,0,0|2,0,0]=4 16049 B13R1.15 C[n+]1cccc(c1)SCC(O)CO 62a_100011219619_100009996589 [0,2,0,0,0,0|2,0,0]=4 16050 B13R1.15 C[n+]1cccc(c1)SC[C@@H](O)CF 62a_100009996589_100015614560 [0,2,0,0,0,0|2,0,0]=4 16051 B13R1.15 C[n+]1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100009996589 [0,2,0,0,0,0|2,0,0]=4 16052 B13R1.15 C[n+]1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100009996589 [0,2,0,0,0,0|2,0,0]=4 16053 B13R1.15 C[n+]1cccc(c1)SC[C@@H](O)CO 62a_100009996589_100009815848 [0,2,0,0,0,0|2,0,0]=4 16054 B13R1.15 Cc1cc(ccn1)CNC(C)CO 34a_100011934566_100012180447 [0,2,0,0,0,0|2,0,0]=4 16055 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 207a_100000737577_100011361630 [0,2,0,0,0,0|2,0,0]=4 16056 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 2230a_100000737577_200020672517 [0,2,0,0,0,0|2,0,0]=4 16057 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 270004a_100000737577_100011361630 [0,2,0,0,0,0|2,0,0]=4 16058 B13R1.15 Cc1cc(ccn1)COC(C)CO 34a_100011998630_100012180447 [0,2,0,0,0,0|2,0,0]=4 16059 B13R1.15 Cc1cc(ccn1)CSC(C)CO 62a_100012180447_200020672517 [0,2,0,0,0,0|2,0,0]=4 16060 B13R1.15 Cc1cc(ccn1)CS[C@H](C)CO 62a_100016084084_200020672517 [0,2,0,0,0,0|2,0,0]=4 16061 B13R1.15 Cc1cc(ccn1)CS[C@H](C)CO 62a_200020672517_100016084084 [0,2,0,0,0,0|2,0,0]=4 16062 B13R1.15 Cc1cc(ccn1)NCC(C)CO 27a_100000744482_100000758586 [0,2,0,0,0,0|2,0,0]=4 16063 B13R1.15 Cc1cc(ccn1)NC[C@H](O)CO 27a_100020644852_100000758586 [0,2,0,0,0,0|2,0,0]=4 16064 B13R1.15 Cc1cc(ccn1)OCC(O)CO 34a_100000688365_100011219619 [0,2,0,0,0,0|2,0,0]=4 16065 B13R1.15 Cc1cc(ccn1)OC[C@@H](C)CO 34a_100000688365_100000059175 [0,2,0,0,0,0|2,0,0]=4 16066 B13R1.15 Cc1cc(ccn1)OC[C@@H](O)CF 34a_100000688365_100015614560 [0,2,0,0,0,0|2,0,0]=4 16067 B13R1.15 Cc1cc(ccn1)OC[C@@H](O)CO 34a_100000688365_100009815848 [0,2,0,0,0,0|2,0,0]=4 16068 B13R1.15 Cc1cc(ccn1)SCC(O)CO 62a_100000758586_100011219619 [0,2,0,0,0,0|2,0,0]=4 16069 B13R1.15 Cc1cc(ccn1)SCC(O)CO 62a_100011219619_100000758586 [0,2,0,0,0,0|2,0,0]=4 16070 B13R1.15 Cc1cc(ccn1)SC[C@@H](C)CO 62a_100000059175_100000758586 [0,2,0,0,0,0|2,0,0]=4 16071 B13R1.15 Cc1cc(ccn1)SC[C@@H](C)CO 62a_100000758586_100000059175 [0,2,0,0,0,0|2,0,0]=4 16072 B13R1.15 Cc1cc(ccn1)SC[C@@H](O)CF 62a_100000758586_100015614560 [0,2,0,0,0,0|2,0,0]=4 16073 B13R1.15 Cc1cc(ccn1)SC[C@@H](O)CF 62a_100015614560_100000758586 [0,2,0,0,0,0|2,0,0]=4 16074 B13R1.15 Cc1cc(ccn1)SC[C@@H](O)CO 62a_100000758586_100009815848 [0,2,0,0,0,0|2,0,0]=4 16075 B13R1.15 Cc1cc(ccn1)SC[C@@H](O)CO 62a_100009815848_100000758586 [0,2,0,0,0,0|2,0,0]=4 16076 B13R1.15 Cc1cccc(c1)CCC(=O)CF 1458a_100000234952_100015361967 [0,2,0,0,0,0|0,0,2]=4 16077 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,2,0,0,0,0|0,0,2]=4 16078 B13R1.15 Cc1cccc(c1)CCN(C)CF 269982a_114849113767_100015361967 [0,2,0,0,0,0|2,0,0]=4 16079 B13R1.15 Cc1cccc(c1)CCN(C)CF 34a_114849113767_100015361967 [0,2,0,0,0,0|2,0,0]=4 16080 B13R1.15 Cc1cccc(c1)CNC(C)C#N 2230a_100000185548_100000184139 [0,2,0,0,0,0|2,0,0]=4 16081 B13R1.15 Cc1cccc(c1)CNC(C)C#N 2230a_100000737613_100000211840 [0,2,0,0,0,0|2,0,0]=4 16082 B13R1.15 Cc1cccc(c1)CNC(C)CO 2230a_100000185548_100012180447 [0,2,0,0,0,0|1,0,0]=3 16083 B13R1.15 Cc1cccc(c1)CNC(C)CO 34a_100000185548_100012180447 [0,2,0,0,0,0|1,0,0]=3 16084 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 207a_100102880703_100000211157 [0,2,0,0,0,0|2,0,0]=4 16085 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 270004a_100102880703_100000211157 [0,2,0,0,0,0|2,0,0]=4 16086 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 207a_100000737577_100000211157 [0,2,0,0,0,0|1,0,0]=3 16087 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 2230a_100000737577_100000211840 [0,2,0,0,0,0|1,0,0]=3 16088 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 270004a_100000737577_100000211157 [0,2,0,0,0,0|1,0,0]=3 16089 B13R1.15 Cc1cccc(c1)COC(C)C#N 34a_100011218135_100000211840 [0,2,0,0,0,0|2,0,0]=4 16090 B13R1.15 Cc1cccc(c1)COC(C)C#N 7a_100011217746_100000703298 [0,2,0,0,0,0|2,0,0]=4 16091 B13R1.15 Cc1cccc(c1)COC(C)CF 34a_100016041109_100000211840 [0,2,0,0,0,0|2,0,0]=4 16092 B13R1.15 Cc1cccc(c1)COC(C)CF 7a_100016041109_100000211840 [0,2,0,0,0,0|2,0,0]=4 16093 B13R1.15 Cc1cccc(c1)COC(C)CN 34a_100000210904_100000211840 [0,2,0,0,0,0|2,0,0]=4 16094 B13R1.15 Cc1cccc(c1)COC(C)CO 34a_100011217746_100012180447 [0,2,0,0,0,0|1,0,0]=3 16095 B13R1.15 Cc1cccc(c1)COC(C)CO 7a_100011217746_100012180447 [0,2,0,0,0,0|1,0,0]=3 16096 B13R1.15 Cc1cccc(c1)CSC(C)C#N 62a_100000211840_100000703298 [0,2,0,0,0,0|2,0,0]=4 16097 B13R1.15 Cc1cccc(c1)CSC(C)C#N 62a_100000703298_100000211840 [0,2,0,0,0,0|2,0,0]=4 16098 B13R1.15 Cc1cccc(c1)CSC(C)CO 62a_100012180447_100000211840 [0,2,0,0,0,0|1,0,0]=3 16099 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100000211840_100016084084 [0,2,0,0,0,0|1,0,0]=3 16100 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100016084084_100000211840 [0,2,0,0,0,0|1,0,0]=3 16101 B13R1.15 Cc1cccc(c1)NCC(O)CO 2230a_100000188690_100011219619 [0,2,0,0,0,0|1,0,0]=3 16102 B13R1.15 Cc1cccc(c1)NCC(O)CO 34a_100000188690_100011219619 [0,2,0,0,0,0|1,0,0]=3 16103 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 2230a_100000188690_100000059175 [0,2,0,0,0,0|1,0,0]=3 16104 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 34a_100000188690_100000059175 [0,2,0,0,0,0|1,0,0]=3 16105 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CF 2230a_100000188690_100015614560 [0,2,0,0,0,0|1,0,0]=3 16106 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CF 34a_100000188690_100015614560 [0,2,0,0,0,0|1,0,0]=3 16107 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 2230a_100000188690_100009815848 [0,2,0,0,0,0|1,0,0]=3 16108 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 34a_100000188690_100009815848 [0,2,0,0,0,0|1,0,0]=3 16109 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 34a_200011219432_200025704644 [0,2,0,0,0,0|1,0,0]=3 16110 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 7a_200011219432_200025704644 [0,2,0,0,0,0|1,0,0]=3 16111 B13R1.15 Cc1cccc(c1)OCC(O)CO 34a_100000210337_100011219619 [0,2,0,0,0,0|1,0,0]=3 16112 B13R1.15 Cc1cccc(c1)OCC(O)CO 7a_100000210337_100011219619 [0,2,0,0,0,0|1,0,0]=3 16113 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 34a_100000210337_100000059175 [0,2,0,0,0,0|1,0,0]=3 16114 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 7a_100000210337_100000059175 [0,2,0,0,0,0|1,0,0]=3 16115 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 34a_100000210337_100015614560 [0,2,0,0,0,0|1,0,0]=3 16116 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 7a_100000210337_100015614560 [0,2,0,0,0,0|1,0,0]=3 16117 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 34a_100000210337_100009815848 [0,2,0,0,0,0|1,0,0]=3 16118 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 7a_100000210337_100009815848 [0,2,0,0,0,0|1,0,0]=3 16119 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011215228_100011219619 [0,2,0,0,0,0|1,0,0]=3 16120 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011219619_100011215228 [0,2,0,0,0,0|1,0,0]=3 16121 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100000059175_100011215228 [0,2,0,0,0,0|1,0,0]=3 16122 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100011215228_100000059175 [0,2,0,0,0,0|1,0,0]=3 16123 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CF 62a_100011215228_100015614560 [0,2,0,0,0,0|1,0,0]=3 16124 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100011215228 [0,2,0,0,0,0|1,0,0]=3 16125 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100011215228 [0,2,0,0,0,0|1,0,0]=3 16126 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100011215228_100009815848 [0,2,0,0,0,0|1,0,0]=3 16127 B13R1.15 Cc1cccc(n1)CNC(C)CO 34a_100000701342_100012180447 [0,2,0,0,0,0|2,0,0]=4 16128 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 207a_100000737577_100011215050 [0,2,0,0,0,0|2,0,0]=4 16129 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 2230a_100000737577_100000757606 [0,2,0,0,0,0|2,0,0]=4 16130 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 270004a_100000737577_100011215050 [0,2,0,0,0,0|2,0,0]=4 16131 B13R1.15 Cc1cccc(n1)COC(C)CO 34a_100000690600_100012180447 [0,2,0,0,0,0|2,0,0]=4 16132 B13R1.15 Cc1cccc(n1)CSC(C)CO 62a_100012180447_100000757606 [0,2,0,0,0,0|2,0,0]=4 16133 B13R1.15 Cc1cccc(n1)CS[C@H](C)CO 62a_100000757606_100016084084 [0,2,0,0,0,0|2,0,0]=4 16134 B13R1.15 Cc1cccc(n1)CS[C@H](C)CO 62a_100016084084_100000757606 [0,2,0,0,0,0|2,0,0]=4 16135 B13R1.15 Cc1cccc(n1)SCC(O)CO 62a_100000742759_100011219619 [0,2,0,0,0,0|2,0,0]=4 16136 B13R1.15 Cc1cccc(n1)SCC(O)CO 62a_100011219619_100000742759 [0,2,0,0,0,0|2,0,0]=4 16137 B13R1.15 Cc1cccc(n1)SC[C@@H](C)CO 62a_100000059175_100000742759 [0,2,0,0,0,0|2,0,0]=4 16138 B13R1.15 Cc1cccc(n1)SC[C@@H](C)CO 62a_100000742759_100000059175 [0,2,0,0,0,0|2,0,0]=4 16139 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CF 62a_100000742759_100015614560 [0,2,0,0,0,0|2,0,0]=4 16140 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CF 62a_100015614560_100000742759 [0,2,0,0,0,0|2,0,0]=4 16141 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CO 62a_100000742759_100009815848 [0,2,0,0,0,0|2,0,0]=4 16142 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CO 62a_100009815848_100000742759 [0,2,0,0,0,0|2,0,0]=4 16143 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 207a_100000737577_100011361488 [0,2,0,0,0,0|2,0,0]=4 16144 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 2230a_100000737577_100000718516 [0,2,0,0,0,0|2,0,0]=4 16145 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 270004a_100000737577_100011361488 [0,2,0,0,0,0|2,0,0]=4 16146 B13R1.15 Cc1ccnc(c1)COC(C)CO 34a_100011998357_100012180447 [0,2,0,0,0,0|2,0,0]=4 16147 B13R1.15 Cc1ccnc(c1)CSC(C)CO 62a_100012180447_100000718516 [0,2,0,0,0,0|2,0,0]=4 16148 B13R1.15 Cc1ccnc(c1)CS[C@H](C)CO 62a_100000718516_100016084084 [0,2,0,0,0,0|2,0,0]=4 16149 B13R1.15 Cc1ccnc(c1)CS[C@H](C)CO 62a_100016084084_100000718516 [0,2,0,0,0,0|2,0,0]=4 16150 B13R1.15 Cc1ccnc(c1)SCC(O)CO 62a_100000750283_100011219619 [0,2,0,0,0,0|2,0,0]=4 16151 B13R1.15 Cc1ccnc(c1)SCC(O)CO 62a_100011219619_100000750283 [0,2,0,0,0,0|2,0,0]=4 16152 B13R1.15 Cc1ccnc(c1)SC[C@@H](C)CO 62a_100000059175_100000750283 [0,2,0,0,0,0|2,0,0]=4 16153 B13R1.15 Cc1ccnc(c1)SC[C@@H](C)CO 62a_100000750283_100000059175 [0,2,0,0,0,0|2,0,0]=4 16154 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CF 62a_100000750283_100015614560 [0,2,0,0,0,0|2,0,0]=4 16155 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CF 62a_100015614560_100000750283 [0,2,0,0,0,0|2,0,0]=4 16156 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CO 62a_100000750283_100009815848 [0,2,0,0,0,0|2,0,0]=4 16157 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CO 62a_100009815848_100000750283 [0,2,0,0,0,0|2,0,0]=4 16158 B13R1.15 Cc1cncc(c1)CNC(C)CO 2230a_100000692839_100012180447 [0,2,0,0,0,0|2,0,0]=4 16159 B13R1.15 Cc1cncc(c1)CNC(C)CO 34a_100000692839_100012180447 [0,2,0,0,0,0|2,0,0]=4 16160 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 207a_100000737577_100011998712 [0,2,0,0,0,0|2,0,0]=4 16161 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 2230a_100000737577_100000716715 [0,2,0,0,0,0|2,0,0]=4 16162 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 270004a_100000737577_100011998712 [0,2,0,0,0,0|2,0,0]=4 16163 B13R1.15 Cc1cncc(c1)COC(C)CO 34a_100011998709_100012180447 [0,2,0,0,0,0|2,0,0]=4 16164 B13R1.15 Cc1cncc(c1)COC(C)CO 7a_100011998709_100012180447 [0,2,0,0,0,0|2,0,0]=4 16165 B13R1.15 Cc1cncc(c1)CSC(C)CO 62a_100012180447_100000716715 [0,2,0,0,0,0|2,0,0]=4 16166 B13R1.15 Cc1cncc(c1)CS[C@H](C)CO 62a_100000716715_100016084084 [0,2,0,0,0,0|2,0,0]=4 16167 B13R1.15 Cc1cncc(c1)CS[C@H](C)CO 62a_100016084084_100000716715 [0,2,0,0,0,0|2,0,0]=4 16168 B13R1.15 Cc1cncc(c1)OCC(O)CO 34a_100011830280_100011219619 [0,2,0,0,0,0|2,0,0]=4 16169 B13R1.15 Cc1cncc(c1)OCC(O)CO 7a_100011830280_100011219619 [0,2,0,0,0,0|2,0,0]=4 16170 B13R1.15 Cc1cncc(c1)OC[C@@H](C)CO 34a_100011830280_100000059175 [0,2,0,0,0,0|2,0,0]=4 16171 B13R1.15 Cc1cncc(c1)OC[C@@H](C)CO 7a_100011830280_100000059175 [0,2,0,0,0,0|2,0,0]=4 16172 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CF 34a_100011830280_100015614560 [0,2,0,0,0,0|2,0,0]=4 16173 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CF 7a_100011830280_100015614560 [0,2,0,0,0,0|2,0,0]=4 16174 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CO 34a_100011830280_100009815848 [0,2,0,0,0,0|2,0,0]=4 16175 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CO 7a_100011830280_100009815848 [0,2,0,0,0,0|2,0,0]=4 16176 B13R1.15 Cc1cncc(c1)SCC(O)CO 62a_100000760492_100011219619 [0,2,0,0,0,0|2,0,0]=4 16177 B13R1.15 Cc1cncc(c1)SCC(O)CO 62a_100011219619_100000760492 [0,2,0,0,0,0|2,0,0]=4 16178 B13R1.15 Cc1cncc(c1)SC[C@@H](C)CO 62a_100000059175_100000760492 [0,2,0,0,0,0|2,0,0]=4 16179 B13R1.15 Cc1cncc(c1)SC[C@@H](C)CO 62a_100000760492_100000059175 [0,2,0,0,0,0|2,0,0]=4 16180 B13R1.15 Cc1cncc(c1)SC[C@@H](O)CF 62a_100000760492_100015614560 [0,2,0,0,0,0|2,0,0]=4 16181 B13R1.15 Cc1cncc(c1)SC[C@@H](O)CF 62a_100015614560_100000760492 [0,2,0,0,0,0|2,0,0]=4 16182 B13R1.15 Cc1cncc(c1)SC[C@@H](O)CO 62a_100000760492_100009815848 [0,2,0,0,0,0|2,0,0]=4 16183 B13R1.15 Cc1cncc(c1)SC[C@@H](O)CO 62a_100009815848_100000760492 [0,2,0,0,0,0|2,0,0]=4 16184 B13R1.15 Nc1cc(ccn1)OCC(O)CO 34a_100011834064_100011219619 [0,2,0,0,0,0|2,0,0]=4 16185 B13R1.15 Nc1cc(ccn1)OC[C@@H](O)CF 34a_100011834064_100015614560 [0,2,0,0,0,0|2,0,0]=4 16186 B13R1.15 Nc1cc(ccn1)OC[C@@H](O)CO 34a_100011834064_100009815848 [0,2,0,0,0,0|2,0,0]=4 16187 B13R1.15 Nc1cc(ccn1)SCC(O)CO 62a_100000049665_100011219619 [0,2,0,0,0,0|2,0,0]=4 16188 B13R1.15 Nc1cc(ccn1)SCC(O)CO 62a_100011219619_100000049665 [0,2,0,0,0,0|2,0,0]=4 16189 B13R1.15 Nc1cc(ccn1)SC[C@@H](O)CF 62a_100000049665_100015614560 [0,2,0,0,0,0|2,0,0]=4 16190 B13R1.15 Nc1cc(ccn1)SC[C@@H](O)CF 62a_100015614560_100000049665 [0,2,0,0,0,0|2,0,0]=4 16191 B13R1.15 Nc1cc(ccn1)SC[C@@H](O)CO 62a_100000049665_100009815848 [0,2,0,0,0,0|2,0,0]=4 16192 B13R1.15 Nc1cc(ccn1)SC[C@@H](O)CO 62a_100009815848_100000049665 [0,2,0,0,0,0|2,0,0]=4 16193 B13R1.15 Nc1cccc(c1)OCC(O)CO 34a_100000210217_100011219619 [0,2,0,0,0,0|1,0,0]=3 16194 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CF 34a_100000210217_100015614560 [0,2,0,0,0,0|1,0,0]=3 16195 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CO 34a_100000210217_100009815848 [0,2,0,0,0,0|1,0,0]=3 16196 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100000210019_100011219619 [0,2,0,0,0,0|1,0,0]=3 16197 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100011219619_100000210019 [0,2,0,0,0,0|1,0,0]=3 16198 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CF 62a_100000210019_100015614560 [0,2,0,0,0,0|1,0,0]=3 16199 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100000210019 [0,2,0,0,0,0|1,0,0]=3 16200 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100000210019_100009815848 [0,2,0,0,0,0|1,0,0]=3 16201 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100000210019 [0,2,0,0,0,0|1,0,0]=3 16202 B13R1.15 Nc1cccc(n1)SCC(O)CO 62a_100000740741_100011219619 [0,2,0,0,0,0|2,0,0]=4 16203 B13R1.15 Nc1cccc(n1)SCC(O)CO 62a_100011219619_100000740741 [0,2,0,0,0,0|2,0,0]=4 16204 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CF 62a_100000740741_100015614560 [0,2,0,0,0,0|2,0,0]=4 16205 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CF 62a_100015614560_100000740741 [0,2,0,0,0,0|2,0,0]=4 16206 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CO 62a_100000740741_100009815848 [0,2,0,0,0,0|2,0,0]=4 16207 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CO 62a_100009815848_100000740741 [0,2,0,0,0,0|2,0,0]=4 16208 B13R1.15 Nc1ccnc(c1)SCC(O)CO 62a_100009814236_100011219619 [0,2,0,0,0,0|2,0,0]=4 16209 B13R1.15 Nc1ccnc(c1)SCC(O)CO 62a_100011219619_100009814236 [0,2,0,0,0,0|2,0,0]=4 16210 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CF 62a_100009814236_100015614560 [0,2,0,0,0,0|2,0,0]=4 16211 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CF 62a_100015614560_100009814236 [0,2,0,0,0,0|2,0,0]=4 16212 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CO 62a_100009814236_100009815848 [0,2,0,0,0,0|2,0,0]=4 16213 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CO 62a_100009815848_100009814236 [0,2,0,0,0,0|2,0,0]=4 16214 B13R1.15 Nc1cncc(c1)OCC(O)CO 34a_100011997051_100011219619 [0,2,0,0,0,0|2,0,0]=4 16215 B13R1.15 Nc1cncc(c1)OC[C@@H](O)CF 34a_100011997051_100015614560 [0,2,0,0,0,0|2,0,0]=4 16216 B13R1.15 Nc1cncc(c1)OC[C@@H](O)CO 34a_100011997051_100009815848 [0,2,0,0,0,0|2,0,0]=4 16217 B13R1.15 Nc1cncc(c1)SCC(O)CO 62a_100000687067_100011219619 [0,2,0,0,0,0|2,0,0]=4 16218 B13R1.15 Nc1cncc(c1)SCC(O)CO 62a_100011219619_100000687067 [0,2,0,0,0,0|2,0,0]=4 16219 B13R1.15 Nc1cncc(c1)SC[C@@H](O)CF 62a_100000687067_100015614560 [0,2,0,0,0,0|2,0,0]=4 16220 B13R1.15 Nc1cncc(c1)SC[C@@H](O)CF 62a_100015614560_100000687067 [0,2,0,0,0,0|2,0,0]=4 16221 B13R1.15 Nc1cncc(c1)SC[C@@H](O)CO 62a_100000687067_100009815848 [0,2,0,0,0,0|2,0,0]=4 16222 B13R1.15 Nc1cncc(c1)SC[C@@H](O)CO 62a_100009815848_100000687067 [0,2,0,0,0,0|2,0,0]=4 16223 B13R1.15 O=C(CF)CCc1cccc(c1)Br 1458a_100000184314_100015361967 [0,2,0,0,0,0|0,0,2]=4 16224 B13R1.15 O=C(CF)CCc1cccc(c1)Cl 1458a_100000235675_100015361967 [0,2,0,0,0,0|0,0,2]=4 16225 B13R1.15 O=C(CF)CCc1cccc(c1)F 1458a_100000235673_100015361967 [0,2,0,0,0,0|0,0,2]=4 16226 B13R1.15 O=C(CF)CCc1cccc(c1)I 1458a_100010007846_100015361967 [0,2,0,0,0,0|0,0,2]=4 16227 B13R1.15 O=C(CF)CCc1cccc(c1)O 1458a_100011216126_100015361967 [0,2,0,0,0,0|0,0,2]=4 16228 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [0,2,0,0,0,0|0,0,2]=4 16229 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [0,2,0,0,0,0|0,0,2]=4 16230 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [0,2,0,0,0,0|0,0,2]=4 16231 B13R1.15 O=c1cc(cc[nH]1)NC[C@H](O)CO 27a_100020644852_100000061649 [0,2,0,0,0,0|2,0,0]=4 16232 B13R1.15 O=c1cc(cc[nH]1)OCC(O)CO 34a_100000032262_100011219619 [0,2,0,0,0,0|2,0,0]=4 16233 B13R1.15 O=c1cc(cc[nH]1)OC[C@@H](O)CF 34a_100000032262_100015614560 [0,2,0,0,0,0|2,0,0]=4 16234 B13R1.15 O=c1cc(cc[nH]1)OC[C@@H](O)CO 34a_100000032262_100009815848 [0,2,0,0,0,0|2,0,0]=4 16235 B13R1.15 O=c1cc(cc[nH]1)SCC(O)CO 62a_100009816521_100011219619 [0,2,0,0,0,0|2,0,0]=4 16236 B13R1.15 O=c1cc(cc[nH]1)SCC(O)CO 62a_100011219619_100009816521 [0,2,0,0,0,0|2,0,0]=4 16237 B13R1.15 O=c1cc(cc[nH]1)SC[C@@H](O)CF 62a_100009816521_100015614560 [0,2,0,0,0,0|2,0,0]=4 16238 B13R1.15 O=c1cc(cc[nH]1)SC[C@@H](O)CF 62a_100015614560_100009816521 [0,2,0,0,0,0|2,0,0]=4 16239 B13R1.15 O=c1cc(cc[nH]1)SC[C@@H](O)CO 62a_100009815848_100009816521 [0,2,0,0,0,0|2,0,0]=4 16240 B13R1.15 O=c1cc(cc[nH]1)SC[C@@H](O)CO 62a_100009816521_100009815848 [0,2,0,0,0,0|2,0,0]=4 16241 B13R1.15 O=c1cc[nH]c(c1)SCC(O)CO 62a_100009817434_100011219619 [0,2,0,0,0,0|2,0,0]=4 16242 B13R1.15 O=c1cc[nH]c(c1)SC[C@@H](O)CF 62a_100009817434_100015614560 [0,2,0,0,0,0|2,0,0]=4 16243 B13R1.15 O=c1cc[nH]c(c1)SC[C@@H](O)CO 62a_100009817434_100009815848 [0,2,0,0,0,0|2,0,0]=4 16244 B13R1.15 O=c1cccc([nH]1)OCC(O)CO 34a_100000033347_100011219619 [0,2,0,0,0,0|2,0,0]=4 16245 B13R1.15 O=c1cccc([nH]1)OC[C@@H](O)CF 34a_100000033347_100015614560 [0,2,0,0,0,0|2,0,0]=4 16246 B13R1.15 O=c1cccc([nH]1)OC[C@@H](O)CO 34a_100000033347_100009815848 [0,2,0,0,0,0|2,0,0]=4 16247 B13R1.15 O=c1cccc([nH]1)SCC(O)CO 62a_100011219619_100000752884 [0,2,0,0,0,0|2,0,0]=4 16248 B13R1.15 O=c1cccc([nH]1)SC[C@@H](O)CF 62a_100015614560_100000752884 [0,2,0,0,0,0|2,0,0]=4 16249 B13R1.15 O=c1cccc([nH]1)SC[C@@H](O)CO 62a_100009815848_100000752884 [0,2,0,0,0,0|2,0,0]=4 16250 B13R1.15 OCC(O)CNc1cccc(c1)Br 34a_100000210019_100011219619 [0,2,0,0,0,0|1,0,0]=3 16251 B13R1.15 OCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011219619 [0,2,0,0,0,0|1,0,0]=3 16252 B13R1.15 OCC(O)CNc1cccc(c1)F 34a_100000210047_100011219619 [0,2,0,0,0,0|1,0,0]=3 16253 B13R1.15 OCC(O)CNc1cccc(c1)I 34a_100000211102_100011219619 [0,2,0,0,0,0|1,0,0]=3 16254 B13R1.15 OCC(O)CNc1cccc(c1)O 34a_100000210217_100011219619 [0,2,0,0,0,0|1,0,0]=3 16255 B13R1.15 OCC(O)COc1cccc(c1)Br 34a_100000210342_100011219619 [0,2,0,0,0,0|1,0,0]=3 16256 B13R1.15 OCC(O)COc1cccc(c1)Br 7a_100000210342_100011219619 [0,2,0,0,0,0|1,0,0]=3 16257 B13R1.15 OCC(O)COc1cccc(c1)Cl 34a_100000210295_100011219619 [0,2,0,0,0,0|1,0,0]=3 16258 B13R1.15 OCC(O)COc1cccc(c1)Cl 7a_100000210295_100011219619 [0,2,0,0,0,0|1,0,0]=3 16259 B13R1.15 OCC(O)COc1cccc(c1)F 34a_100000210426_100011219619 [0,2,0,0,0,0|1,0,0]=3 16260 B13R1.15 OCC(O)COc1cccc(c1)F 7a_100000210426_100011219619 [0,2,0,0,0,0|1,0,0]=3 16261 B13R1.15 OCC(O)COc1cccc(c1)I 34a_100000211634_100011219619 [0,2,0,0,0,0|1,0,0]=3 16262 B13R1.15 OCC(O)COc1cccc(c1)I 7a_100000211634_100011219619 [0,2,0,0,0,0|1,0,0]=3 16263 B13R1.15 OCC(O)COc1cccc(n1)F 34a_100011432558_100011219619 [0,2,0,0,0,0|2,0,0]=4 16264 B13R1.15 OCC(O)COc1ccnc(c1)Cl 34a_100000762945_100011219619 [0,2,0,0,0,0|2,0,0]=4 16265 B13R1.15 OCC(O)COc1ccnc(c1)F 34a_100000732698_100011219619 [0,2,0,0,0,0|2,0,0]=4 16266 B13R1.15 OCC(O)COc1cncc(c1)Br 34a_100000754920_100011219619 [0,2,0,0,0,0|2,0,0]=4 16267 B13R1.15 OCC(O)COc1cncc(c1)Br 7a_100000754920_100011219619 [0,2,0,0,0,0|2,0,0]=4 16268 B13R1.15 OCC(O)COc1cncc(c1)Cl 7a_100000032511_100011219619 [0,2,0,0,0,0|2,0,0]=4 16269 B13R1.15 OCC(O)COc1cncc(c1)F 34a_100011830296_100011219619 [0,2,0,0,0,0|2,0,0]=4 16270 B13R1.15 OCC(O)COc1cncc(c1)F 7a_100011830296_100011219619 [0,2,0,0,0,0|2,0,0]=4 16271 B13R1.15 OCC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011219619 [0,2,0,0,0,0|2,0,0]=4 16272 B13R1.15 OCC(O)CSc1cc(ccn1)Cl 62a_100011219619_100010167805 [0,2,0,0,0,0|2,0,0]=4 16273 B13R1.15 OCC(O)CSc1cc(ccn1)F 62a_100000764206_100011219619 [0,2,0,0,0,0|2,0,0]=4 16274 B13R1.15 OCC(O)CSc1cc(ccn1)F 62a_100011219619_100000764206 [0,2,0,0,0,0|2,0,0]=4 16275 B13R1.15 OCC(O)CSc1cc(ccn1)O 62a_100011219619_100000762945 [0,2,0,0,0,0|2,0,0]=4 16276 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100000691529_100011219619 [0,2,0,0,0,0|1,0,0]=3 16277 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100011219619_100000691529 [0,2,0,0,0,0|1,0,0]=3 16278 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011219619 [0,2,0,0,0,0|1,0,0]=3 16279 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100011219619_100000699651 [0,2,0,0,0,0|1,0,0]=3 16280 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100000685547_100011219619 [0,2,0,0,0,0|1,0,0]=3 16281 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100011219619_100000685547 [0,2,0,0,0,0|1,0,0]=3 16282 B13R1.15 OCC(O)CSc1cccc(c1)O 62a_100011219619_100000211634 [0,2,0,0,0,0|1,0,0]=3 16283 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_100011219619_114929384022 [0,2,0,0,0,0|1,0,0]=3 16284 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011219619 [0,2,0,0,0,0|1,0,0]=3 16285 B13R1.15 OCC(O)CSc1cccc(n1)Br 62a_100000684672_100011219619 [0,2,0,0,0,0|2,0,0]=4 16286 B13R1.15 OCC(O)CSc1cccc(n1)Br 62a_100011219619_100000684672 [0,2,0,0,0,0|2,0,0]=4 16287 B13R1.15 OCC(O)CSc1cccc(n1)Cl 62a_100000051397_100011219619 [0,2,0,0,0,0|2,0,0]=4 16288 B13R1.15 OCC(O)CSc1cccc(n1)Cl 62a_100011219619_100000051397 [0,2,0,0,0,0|2,0,0]=4 16289 B13R1.15 OCC(O)CSc1cccc(n1)F 62a_100009815982_100011219619 [0,2,0,0,0,0|2,0,0]=4 16290 B13R1.15 OCC(O)CSc1cccc(n1)F 62a_100011219619_100009815982 [0,2,0,0,0,0|2,0,0]=4 16291 B13R1.15 OCC(O)CSc1ccnc(c1)Br 62a_100009814637_100011219619 [0,2,0,0,0,0|2,0,0]=4 16292 B13R1.15 OCC(O)CSc1ccnc(c1)Br 62a_100011219619_100009814637 [0,2,0,0,0,0|2,0,0]=4 16293 B13R1.15 OCC(O)CSc1ccnc(c1)Cl 62a_100000035001_100011219619 [0,2,0,0,0,0|2,0,0]=4 16294 B13R1.15 OCC(O)CSc1ccnc(c1)Cl 62a_100011219619_100000035001 [0,2,0,0,0,0|2,0,0]=4 16295 B13R1.15 OCC(O)CSc1ccnc(c1)F 62a_100009816116_100011219619 [0,2,0,0,0,0|2,0,0]=4 16296 B13R1.15 OCC(O)CSc1ccnc(c1)F 62a_100011219619_100009816116 [0,2,0,0,0,0|2,0,0]=4 16297 B13R1.15 OCC(O)CSc1cncc(c1)Br 62a_100000728054_100011219619 [0,2,0,0,0,0|2,0,0]=4 16298 B13R1.15 OCC(O)CSc1cncc(c1)Br 62a_100011219619_100000728054 [0,2,0,0,0,0|2,0,0]=4 16299 B13R1.15 OCC(O)CSc1cncc(c1)Cl 62a_100000049639_100011219619 [0,2,0,0,0,0|2,0,0]=4 16300 B13R1.15 OCC(O)CSc1cncc(c1)Cl 62a_100011219619_100000049639 [0,2,0,0,0,0|2,0,0]=4 16301 B13R1.15 OCC(O)CSc1cncc(c1)F 62a_100000744099_100011219619 [0,2,0,0,0,0|2,0,0]=4 16302 B13R1.15 OCC(O)CSc1cncc(c1)F 62a_100011219619_100000744099 [0,2,0,0,0,0|2,0,0]=4 16303 B13R1.15 OCC(O)CSc1cncc(c1)O 62a_100000754920_100011219619 [0,2,0,0,0,0|2,0,0]=4 16304 B13R1.15 OCC(O)CSc1cncc(c1)O 62a_100011219619_100000754920 [0,2,0,0,0,0|2,0,0]=4 16305 B13R1.15 OC[C@@H](O)CNc1cc(ccn1)F 27a_100020644852_100000764206 [0,2,0,0,0,0|2,0,0]=4 16306 B13R1.15 OC[C@@H](O)CNc1cccc(n1)F 27a_100020644852_100009815982 [0,2,0,0,0,0|2,0,0]=4 16307 B13R1.15 OC[C@@H](O)CNc1ccnc(c1)F 27a_100020644852_100009816116 [0,2,0,0,0,0|2,0,0]=4 16308 B13R1.15 OC[C@H](O)CNc1cccc(c1)Br 34a_100000210019_100009815848 [0,2,0,0,0,0|1,0,0]=3 16309 B13R1.15 OC[C@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009815848 [0,2,0,0,0,0|1,0,0]=3 16310 B13R1.15 OC[C@H](O)CNc1cccc(c1)F 34a_100000210047_100009815848 [0,2,0,0,0,0|1,0,0]=3 16311 B13R1.15 OC[C@H](O)CNc1cccc(c1)I 34a_100000211102_100009815848 [0,2,0,0,0,0|1,0,0]=3 16312 B13R1.15 OC[C@H](O)CNc1cccc(c1)O 34a_100000210217_100009815848 [0,2,0,0,0,0|1,0,0]=3 16313 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 34a_100000210342_100009815848 [0,2,0,0,0,0|1,0,0]=3 16314 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 7a_100000210342_100009815848 [0,2,0,0,0,0|1,0,0]=3 16315 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 34a_100000210295_100009815848 [0,2,0,0,0,0|1,0,0]=3 16316 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 7a_100000210295_100009815848 [0,2,0,0,0,0|1,0,0]=3 16317 B13R1.15 OC[C@H](O)COc1cccc(c1)F 34a_100000210426_100009815848 [0,2,0,0,0,0|1,0,0]=3 16318 B13R1.15 OC[C@H](O)COc1cccc(c1)F 7a_100000210426_100009815848 [0,2,0,0,0,0|1,0,0]=3 16319 B13R1.15 OC[C@H](O)COc1cccc(c1)I 34a_100000211634_100009815848 [0,2,0,0,0,0|1,0,0]=3 16320 B13R1.15 OC[C@H](O)COc1cccc(c1)I 7a_100000211634_100009815848 [0,2,0,0,0,0|1,0,0]=3 16321 B13R1.15 OC[C@H](O)COc1cccc(n1)F 34a_100011432558_100009815848 [0,2,0,0,0,0|2,0,0]=4 16322 B13R1.15 OC[C@H](O)COc1ccnc(c1)Cl 34a_100000762945_100009815848 [0,2,0,0,0,0|2,0,0]=4 16323 B13R1.15 OC[C@H](O)COc1ccnc(c1)F 34a_100000732698_100009815848 [0,2,0,0,0,0|2,0,0]=4 16324 B13R1.15 OC[C@H](O)COc1cncc(c1)Br 34a_100000754920_100009815848 [0,2,0,0,0,0|2,0,0]=4 16325 B13R1.15 OC[C@H](O)COc1cncc(c1)Br 7a_100000754920_100009815848 [0,2,0,0,0,0|2,0,0]=4 16326 B13R1.15 OC[C@H](O)COc1cncc(c1)Cl 7a_100000032511_100009815848 [0,2,0,0,0,0|2,0,0]=4 16327 B13R1.15 OC[C@H](O)COc1cncc(c1)F 34a_100011830296_100009815848 [0,2,0,0,0,0|2,0,0]=4 16328 B13R1.15 OC[C@H](O)COc1cncc(c1)F 7a_100011830296_100009815848 [0,2,0,0,0,0|2,0,0]=4 16329 B13R1.15 OC[C@H](O)CSc1cc(ccn1)Cl 62a_100009815848_100010167805 [0,2,0,0,0,0|2,0,0]=4 16330 B13R1.15 OC[C@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009815848 [0,2,0,0,0,0|2,0,0]=4 16331 B13R1.15 OC[C@H](O)CSc1cc(ccn1)F 62a_100000764206_100009815848 [0,2,0,0,0,0|2,0,0]=4 16332 B13R1.15 OC[C@H](O)CSc1cc(ccn1)F 62a_100009815848_100000764206 [0,2,0,0,0,0|2,0,0]=4 16333 B13R1.15 OC[C@H](O)CSc1cc(ccn1)O 62a_100009815848_100000762945 [0,2,0,0,0,0|2,0,0]=4 16334 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100000691529_100009815848 [0,2,0,0,0,0|1,0,0]=3 16335 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100009815848_100000691529 [0,2,0,0,0,0|1,0,0]=3 16336 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009815848 [0,2,0,0,0,0|1,0,0]=3 16337 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100009815848_100000699651 [0,2,0,0,0,0|1,0,0]=3 16338 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100000685547_100009815848 [0,2,0,0,0,0|1,0,0]=3 16339 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100009815848_100000685547 [0,2,0,0,0,0|1,0,0]=3 16340 B13R1.15 OC[C@H](O)CSc1cccc(c1)O 62a_100009815848_100000211634 [0,2,0,0,0,0|1,0,0]=3 16341 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_100009815848_114929384022 [0,2,0,0,0,0|1,0,0]=3 16342 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009815848 [0,2,0,0,0,0|1,0,0]=3 16343 B13R1.15 OC[C@H](O)CSc1cccc(n1)Br 62a_100000684672_100009815848 [0,2,0,0,0,0|2,0,0]=4 16344 B13R1.15 OC[C@H](O)CSc1cccc(n1)Br 62a_100009815848_100000684672 [0,2,0,0,0,0|2,0,0]=4 16345 B13R1.15 OC[C@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009815848 [0,2,0,0,0,0|2,0,0]=4 16346 B13R1.15 OC[C@H](O)CSc1cccc(n1)Cl 62a_100009815848_100000051397 [0,2,0,0,0,0|2,0,0]=4 16347 B13R1.15 OC[C@H](O)CSc1cccc(n1)F 62a_100009815848_100009815982 [0,2,0,0,0,0|2,0,0]=4 16348 B13R1.15 OC[C@H](O)CSc1cccc(n1)F 62a_100009815982_100009815848 [0,2,0,0,0,0|2,0,0]=4 16349 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Br 62a_100009814637_100009815848 [0,2,0,0,0,0|2,0,0]=4 16350 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Br 62a_100009815848_100009814637 [0,2,0,0,0,0|2,0,0]=4 16351 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Cl 62a_100000035001_100009815848 [0,2,0,0,0,0|2,0,0]=4 16352 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Cl 62a_100009815848_100000035001 [0,2,0,0,0,0|2,0,0]=4 16353 B13R1.15 OC[C@H](O)CSc1ccnc(c1)F 62a_100009815848_100009816116 [0,2,0,0,0,0|2,0,0]=4 16354 B13R1.15 OC[C@H](O)CSc1ccnc(c1)F 62a_100009816116_100009815848 [0,2,0,0,0,0|2,0,0]=4 16355 B13R1.15 OC[C@H](O)CSc1cncc(c1)Br 62a_100000728054_100009815848 [0,2,0,0,0,0|2,0,0]=4 16356 B13R1.15 OC[C@H](O)CSc1cncc(c1)Br 62a_100009815848_100000728054 [0,2,0,0,0,0|2,0,0]=4 16357 B13R1.15 OC[C@H](O)CSc1cncc(c1)Cl 62a_100000049639_100009815848 [0,2,0,0,0,0|2,0,0]=4 16358 B13R1.15 OC[C@H](O)CSc1cncc(c1)Cl 62a_100009815848_100000049639 [0,2,0,0,0,0|2,0,0]=4 16359 B13R1.15 OC[C@H](O)CSc1cncc(c1)F 62a_100000744099_100009815848 [0,2,0,0,0,0|2,0,0]=4 16360 B13R1.15 OC[C@H](O)CSc1cncc(c1)F 62a_100009815848_100000744099 [0,2,0,0,0,0|2,0,0]=4 16361 B13R1.15 OC[C@H](O)CSc1cncc(c1)O 62a_100000754920_100009815848 [0,2,0,0,0,0|2,0,0]=4 16362 B13R1.15 OC[C@H](O)CSc1cncc(c1)O 62a_100009815848_100000754920 [0,2,0,0,0,0|2,0,0]=4 16363 B13R1.15 O[C@@H](CF)CNc1cccc(c1)Br 34a_100000210019_100015614560 [0,2,0,0,0,0|1,0,0]=3 16364 B13R1.15 O[C@@H](CF)CNc1cccc(c1)Cl 34a_100000185859_100015614560 [0,2,0,0,0,0|1,0,0]=3 16365 B13R1.15 O[C@@H](CF)CNc1cccc(c1)F 34a_100000210047_100015614560 [0,2,0,0,0,0|1,0,0]=3 16366 B13R1.15 O[C@@H](CF)CNc1cccc(c1)I 34a_100000211102_100015614560 [0,2,0,0,0,0|1,0,0]=3 16367 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 34a_100000210342_100015614560 [0,2,0,0,0,0|1,0,0]=3 16368 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 7a_100000210342_100015614560 [0,2,0,0,0,0|1,0,0]=3 16369 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 34a_100000210295_100015614560 [0,2,0,0,0,0|1,0,0]=3 16370 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 7a_100000210295_100015614560 [0,2,0,0,0,0|1,0,0]=3 16371 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 34a_100000210426_100015614560 [0,2,0,0,0,0|1,0,0]=3 16372 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 7a_100000210426_100015614560 [0,2,0,0,0,0|1,0,0]=3 16373 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 34a_100000211634_100015614560 [0,2,0,0,0,0|1,0,0]=3 16374 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 7a_100000211634_100015614560 [0,2,0,0,0,0|1,0,0]=3 16375 B13R1.15 O[C@@H](CF)COc1cccc(n1)F 34a_100011432558_100015614560 [0,2,0,0,0,0|2,0,0]=4 16376 B13R1.15 O[C@@H](CF)COc1ccnc(c1)Cl 34a_100000762945_100015614560 [0,2,0,0,0,0|2,0,0]=4 16377 B13R1.15 O[C@@H](CF)COc1ccnc(c1)F 34a_100000732698_100015614560 [0,2,0,0,0,0|2,0,0]=4 16378 B13R1.15 O[C@@H](CF)COc1cncc(c1)Br 34a_100000754920_100015614560 [0,2,0,0,0,0|2,0,0]=4 16379 B13R1.15 O[C@@H](CF)COc1cncc(c1)Br 7a_100000754920_100015614560 [0,2,0,0,0,0|2,0,0]=4 16380 B13R1.15 O[C@@H](CF)COc1cncc(c1)Cl 7a_100000032511_100015614560 [0,2,0,0,0,0|2,0,0]=4 16381 B13R1.15 O[C@@H](CF)COc1cncc(c1)F 34a_100011830296_100015614560 [0,2,0,0,0,0|2,0,0]=4 16382 B13R1.15 O[C@@H](CF)COc1cncc(c1)F 7a_100011830296_100015614560 [0,2,0,0,0,0|2,0,0]=4 16383 B13R1.15 O[C@@H](CF)CSc1cc(ccn1)Cl 62a_100010167805_100015614560 [0,2,0,0,0,0|2,0,0]=4 16384 B13R1.15 O[C@@H](CF)CSc1cc(ccn1)Cl 62a_100015614560_100010167805 [0,2,0,0,0,0|2,0,0]=4 16385 B13R1.15 O[C@@H](CF)CSc1cc(ccn1)F 62a_100000764206_100015614560 [0,2,0,0,0,0|2,0,0]=4 16386 B13R1.15 O[C@@H](CF)CSc1cc(ccn1)F 62a_100015614560_100000764206 [0,2,0,0,0,0|2,0,0]=4 16387 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Br 62a_100000691529_100015614560 [0,2,0,0,0,0|1,0,0]=3 16388 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Br 62a_100015614560_100000691529 [0,2,0,0,0,0|1,0,0]=3 16389 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Cl 62a_100000699651_100015614560 [0,2,0,0,0,0|1,0,0]=3 16390 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Cl 62a_100015614560_100000699651 [0,2,0,0,0,0|1,0,0]=3 16391 B13R1.15 O[C@@H](CF)CSc1cccc(c1)F 62a_100000685547_100015614560 [0,2,0,0,0,0|1,0,0]=3 16392 B13R1.15 O[C@@H](CF)CSc1cccc(c1)F 62a_100015614560_100000685547 [0,2,0,0,0,0|1,0,0]=3 16393 B13R1.15 O[C@@H](CF)CSc1cccc(c1)[S] 62a_100015614560_114929384022 [0,2,0,0,0,0|1,0,0]=3 16394 B13R1.15 O[C@@H](CF)CSc1cccc(c1)[S] 62a_114929384022_100015614560 [0,2,0,0,0,0|1,0,0]=3 16395 B13R1.15 O[C@@H](CF)CSc1cccc(n1)Br 62a_100000684672_100015614560 [0,2,0,0,0,0|2,0,0]=4 16396 B13R1.15 O[C@@H](CF)CSc1cccc(n1)Br 62a_100015614560_100000684672 [0,2,0,0,0,0|2,0,0]=4 16397 B13R1.15 O[C@@H](CF)CSc1cccc(n1)Cl 62a_100000051397_100015614560 [0,2,0,0,0,0|2,0,0]=4 16398 B13R1.15 O[C@@H](CF)CSc1cccc(n1)Cl 62a_100015614560_100000051397 [0,2,0,0,0,0|2,0,0]=4 16399 B13R1.15 O[C@@H](CF)CSc1cccc(n1)F 62a_100009815982_100015614560 [0,2,0,0,0,0|2,0,0]=4 16400 B13R1.15 O[C@@H](CF)CSc1cccc(n1)F 62a_100015614560_100009815982 [0,2,0,0,0,0|2,0,0]=4 16401 B13R1.15 O[C@@H](CF)CSc1ccnc(c1)Br 62a_100009814637_100015614560 [0,2,0,0,0,0|2,0,0]=4 16402 B13R1.15 O[C@@H](CF)CSc1ccnc(c1)Br 62a_100015614560_100009814637 [0,2,0,0,0,0|2,0,0]=4 16403 B13R1.15 O[C@@H](CF)CSc1ccnc(c1)Cl 62a_100000035001_100015614560 [0,2,0,0,0,0|2,0,0]=4 16404 B13R1.15 O[C@@H](CF)CSc1ccnc(c1)Cl 62a_100015614560_100000035001 [0,2,0,0,0,0|2,0,0]=4 16405 B13R1.15 O[C@@H](CF)CSc1ccnc(c1)F 62a_100009816116_100015614560 [0,2,0,0,0,0|2,0,0]=4 16406 B13R1.15 O[C@@H](CF)CSc1ccnc(c1)F 62a_100015614560_100009816116 [0,2,0,0,0,0|2,0,0]=4 16407 B13R1.15 O[C@@H](CF)CSc1cncc(c1)Br 62a_100000728054_100015614560 [0,2,0,0,0,0|2,0,0]=4 16408 B13R1.15 O[C@@H](CF)CSc1cncc(c1)Br 62a_100015614560_100000728054 [0,2,0,0,0,0|2,0,0]=4 16409 B13R1.15 O[C@@H](CF)CSc1cncc(c1)Cl 62a_100000049639_100015614560 [0,2,0,0,0,0|2,0,0]=4 16410 B13R1.15 O[C@@H](CF)CSc1cncc(c1)Cl 62a_100015614560_100000049639 [0,2,0,0,0,0|2,0,0]=4 16411 B13R1.15 O[C@@H](CF)CSc1cncc(c1)F 62a_100000744099_100015614560 [0,2,0,0,0,0|2,0,0]=4 16412 B13R1.15 O[C@@H](CF)CSc1cncc(c1)F 62a_100015614560_100000744099 [0,2,0,0,0,0|2,0,0]=4 16413 B13R1.15 Oc1cccc(c1)NC[C@@H](O)CF 34a_100000210217_100015614560 [0,2,0,0,0,0|1,0,0]=3 16414 B13R1.15 Oc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100000211634 [0,2,0,0,0,0|1,0,0]=3 16415 B13R1.15 Oc1ccnc(c1)SC[C@@H](O)CF 62a_100015614560_100000762945 [0,2,0,0,0,0|2,0,0]=4 16416 B13R1.15 Oc1cncc(c1)SC[C@@H](O)CF 62a_100000754920_100015614560 [0,2,0,0,0,0|2,0,0]=4 16417 B13R1.15 Oc1cncc(c1)SC[C@@H](O)CF 62a_100015614560_100000754920 [0,2,0,0,0,0|2,0,0]=4 16418 B13R1.15 [O-][n+]1cccc(c1)OCC(O)CO 34a_100000039713_100011219619 [0,2,0,0,0,0|2,0,0]=4 16419 B13R1.15 [O-][n+]1cccc(c1)OCC(O)CO 7a_100000039713_100011219619 [0,2,0,0,0,0|2,0,0]=4 16420 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CF 34a_100000039713_100015614560 [0,2,0,0,0,0|2,0,0]=4 16421 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CF 7a_100000039713_100015614560 [0,2,0,0,0,0|2,0,0]=4 16422 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CO 34a_100000039713_100009815848 [0,2,0,0,0,0|2,0,0]=4 16423 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CO 7a_100000039713_100009815848 [0,2,0,0,0,0|2,0,0]=4 16424 B13R1.15 [O-][n+]1cccc(c1)SCC(O)CO 62a_100011219619_100009815978 [0,2,0,0,0,0|2,0,0]=4 16425 B13R1.15 [O-][n+]1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100009815978 [0,2,0,0,0,0|2,0,0]=4 16426 B13R1.15 [O-][n+]1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100009815978 [0,2,0,0,0,0|2,0,0]=4 16427 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100000185753_100000184674 [0,2,0,0,0,0|0,0,2]=4 16428 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100011220946_100000765856 [0,2,0,0,0,0|0,0,2]=4 16429 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,2,0,0,0,0|2,0,0]=4 16430 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,2,0,0,0,0|2,0,0]=4 16431 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000207497_100000038162 [0,2,0,0,0,0|2,0,0]=4 16432 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000225692_100000765856 [0,2,0,0,0,0|2,0,0]=4 16433 B13R1.42 C#CCN(C)CCc1ccccc1 34a_100000225692_100000765856 [0,2,0,0,0,0|2,0,0]=4 16434 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [0,2,0,0,0,0|2,0,0]=4 16435 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000185753_100000210623 [0,2,0,0,0,0|0,0,2]=4 16436 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000210193_100000765856 [0,2,0,0,0,0|0,0,2]=4 16437 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [0,2,0,0,0,0|2,0,0]=4 16438 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [0,2,0,0,0,0|2,0,0]=4 16439 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [0,2,0,0,0,0|2,0,0]=4 16440 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [0,2,0,0,0,0|2,0,0]=4 16441 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,2,0,0,0,0|2,0,0]=4 16442 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,2,0,0,0,0|2,0,0]=4 16443 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [0,2,0,0,0,0|0,0,2]=4 16444 B13R1.42 CC#CC(C)OCc1ccccc1 34a_100011216543_100015291786 [0,2,0,0,0,0|2,0,0]=4 16445 B13R1.42 CC(C#Cc1ccccc1)OCF 34a_200000065209_100015361967 [0,2,0,0,0,0|0,0,2]=4 16446 B13R1.42 CC(C#Cc1ccccc1)OCF 7a_200000065209_100015361967 [0,2,0,0,0,0|0,0,2]=4 16447 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,2,0,0,0,0|2,0,0]=4 16448 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,2,0,0,0,0|2,0,0]=4 16449 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,2,0,0,0,0|2,0,0]=4 16450 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,2,0,0,0,0|2,0,0]=4 16451 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,2,0,0,0,0|2,0,0]=4 16452 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,2,0,0,0,0|1,0,0]=3 16453 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,2,0,0,0,0|1,0,0]=3 16454 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,2,0,0,0,0|1,0,0]=3 16455 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,2,0,0,0,0|1,0,0]=3 16456 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,2,0,0,0,0|1,0,0]=3 16457 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,2,0,0,0,0|1,0,0]=3 16458 B13R1.42 CC(CCO)SCc1ccccn1 62a_100000721315_100009893172 [0,2,0,0,0,0|2,0,0]=4 16459 B13R1.42 CC(CCO)SCc1ccccn1 62a_100009893172_100000721315 [0,2,0,0,0,0|2,0,0]=4 16460 B13R1.42 CC(CCO)SCc1cccnc1 62a_100000741622_100009893172 [0,2,0,0,0,0|2,0,0]=4 16461 B13R1.42 CC(CCO)SCc1cccnc1 62a_100009893172_100000741622 [0,2,0,0,0,0|2,0,0]=4 16462 B13R1.42 CC(CCO)SCc1ccncc1 62a_100009893172_100015193705 [0,2,0,0,0,0|2,0,0]=4 16463 B13R1.42 CC(CCO)SCc1ccncc1 62a_100015193705_100009893172 [0,2,0,0,0,0|2,0,0]=4 16464 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,2,0,0,0,0|1,0,0]=3 16465 B13R1.42 CC(COc1ccccc1)NCF 34a_100000746794_100015361967 [0,2,0,0,0,0|2,0,0]=4 16466 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,2,0,0,0,0|1,0,0]=3 16467 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,2,0,0,0,0|1,0,0]=3 16468 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,2,0,0,0,0|0,0,2]=4 16469 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,2,0,0,0,0|0,0,2]=4 16470 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,2,0,0,0,0|0,0,2]=4 16471 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,2,0,0,0,0|2,0,0]=4 16472 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,2,0,0,0,0|2,0,0]=4 16473 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,2,0,0,0,0|2,0,0]=4 16474 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,2,0,0,0,0|2,0,0]=4 16475 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,2,0,0,0,0|2,0,0]=4 16476 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,2,0,0,0,0|2,0,0]=4 16477 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,2,0,0,0,0|2,0,0]=4 16478 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,2,0,0,0,0|2,0,0]=4 16479 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,2,0,0,0,0|2,0,0]=4 16480 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,2,0,0,0,0|2,0,0]=4 16481 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,2,0,0,0,0|2,0,0]=4 16482 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,2,0,0,0,0|2,0,0]=4 16483 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,2,0,0,0,0|2,0,0]=4 16484 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,2,0,0,0,0|2,0,0]=4 16485 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,2,0,0,0,0|2,0,0]=4 16486 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,2,0,0,0,0|2,0,0]=4 16487 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,2,0,0,0,0|2,0,0]=4 16488 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,2,0,0,0,0|2,0,0]=4 16489 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,2,0,0,0,0|2,0,0]=4 16490 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,2,0,0,0,0|2,0,0]=4 16491 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,2,0,0,0,0|2,0,0]=4 16492 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,2,0,0,0,0|0,0,2]=4 16493 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,2,0,0,0,0|0,0,2]=4 16494 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,2,0,0,0,0|0,0,2]=4 16495 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,2,0,0,0,0|1,0,0]=3 16496 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,2,0,0,0,0|1,0,0]=3 16497 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,2,0,0,0,0|1,0,0]=3 16498 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,2,0,0,0,0|2,0,0]=4 16499 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,2,0,0,0,0|2,0,0]=4 16500 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,2,0,0,0,0|2,0,0]=4 16501 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,2,0,0,0,0|2,0,0]=4 16502 B13R1.42 CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210202 [0,2,0,0,0,0|0,0,2]=4 16503 B13R1.42 CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210202 [0,2,0,0,0,0|0,0,2]=4 16504 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,2,0,0,0,0|1,0,0]=3 16505 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,2,0,0,0,0|1,0,0]=3 16506 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,2,0,0,0,0|0,0,0]=2 16507 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,2,0,0,0,0|0,0,0]=2 16508 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000207497_100011215382 [0,2,0,0,0,0|2,0,0]=4 16509 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000748184_100000765856 [0,2,0,0,0,0|2,0,0]=4 16510 B13R1.42 CN(CC#N)CCc1ccccc1 269982a_100000207497_100011214920 [0,2,0,0,0,0|2,0,0]=4 16511 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [0,2,0,0,0,0|1,0,1]=4 16512 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [0,2,0,0,0,0|1,0,1]=4 16513 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [0,2,0,0,0,0|2,0,0]=4 16514 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [0,2,0,0,0,0|2,0,0]=4 16515 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,2,0,0,0,0|1,0,0]=3 16516 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,2,0,0,0,0|1,0,0]=3 16517 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,2,0,0,0,0|1,0,0]=3 16518 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,2,0,0,0,0|1,0,0]=3 16519 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000210263_100015183660 [0,2,0,0,0,0|2,0,0]=4 16520 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000737206_100000211926 [0,2,0,0,0,0|2,0,0]=4 16521 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000210263_100015183660 [0,2,0,0,0,0|2,0,0]=4 16522 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000737206_100000211926 [0,2,0,0,0,0|2,0,0]=4 16523 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000210263_200011713674 [0,2,0,0,0,0|2,0,0]=4 16524 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000763209_100000211926 [0,2,0,0,0,0|2,0,0]=4 16525 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000210263_200011713674 [0,2,0,0,0,0|2,0,0]=4 16526 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000763209_100000211926 [0,2,0,0,0,0|2,0,0]=4 16527 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000210263_100000723409 [0,2,0,0,0,0|2,0,0]=4 16528 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000742850_100000211926 [0,2,0,0,0,0|2,0,0]=4 16529 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000210263_100000723409 [0,2,0,0,0,0|2,0,0]=4 16530 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000742850_100000211926 [0,2,0,0,0,0|2,0,0]=4 16531 B13R1.42 CN(CCO)CSc1ccccc1 2230a_100000210263_100011218342 [0,2,0,0,0,0|2,0,0]=4 16532 B13R1.42 CN(CCO)CSc1ccccc1 269982a_100000210263_100011218342 [0,2,0,0,0,0|2,0,0]=4 16533 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,2,0,0,0,0|0,0,2]=4 16534 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,2,0,0,0,0|0,0,2]=4 16535 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,2,0,0,0,0|0,0,2]=4 16536 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,2,0,0,0,0|1,0,0]=3 16537 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,2,0,0,0,0|1,0,0]=3 16538 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,2,0,0,0,0|0,0,2]=4 16539 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,2,0,0,0,0|0,0,2]=4 16540 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,2,0,0,0,0|0,0,2]=4 16541 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,2,0,0,0,0|1,0,0]=3 16542 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,2,0,0,0,0|1,0,0]=3 16543 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,2,0,0,0,0|1,0,0]=3 16544 B13R1.42 COCC(C)NCc1ccccn1 270004a_100000210449_100000749346 [0,2,0,0,0,0|2,0,0]=4 16545 B13R1.42 COCC(C)NCc1cccnc1 270004a_100000210453_100000749346 [0,2,0,0,0,0|2,0,0]=4 16546 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,2,0,0,0,0|1,0,0]=3 16547 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,2,0,0,0,0|1,0,0]=3 16548 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,2,0,0,0,0|1,0,0]=3 16549 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,2,0,0,0,0|1,0,0]=3 16550 B13R1.42 COCC(C)SCc1ccccn1 62a_100000721315_100000765312 [0,2,0,0,0,0|2,0,0]=4 16551 B13R1.42 COCC(C)SCc1ccccn1 62a_100000765312_100000721315 [0,2,0,0,0,0|2,0,0]=4 16552 B13R1.42 COCC(C)SCc1cccnc1 62a_100000741622_100000765312 [0,2,0,0,0,0|2,0,0]=4 16553 B13R1.42 COCC(C)SCc1cccnc1 62a_100000765312_100000741622 [0,2,0,0,0,0|2,0,0]=4 16554 B13R1.42 COCC(C)SCc1ccncc1 62a_100000765312_100015193705 [0,2,0,0,0,0|2,0,0]=4 16555 B13R1.42 COCC(C)SCc1ccncc1 62a_100015193705_100000765312 [0,2,0,0,0,0|2,0,0]=4 16556 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,2,0,0,0,0|1,0,0]=3 16557 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,2,0,0,0,0|1,0,0]=3 16558 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,2,0,0,0,0|1,0,0]=3 16559 B13R1.42 COCC(O)COc1cccnc1 34a_100000210849_100011215053 [0,2,0,0,0,0|2,0,0]=4 16560 B13R1.42 COCC(O)COc1cccnc1 7a_100000210849_100011215053 [0,2,0,0,0,0|2,0,0]=4 16561 B13R1.42 COCC(O)COc1ccncc1 34a_100000212176_100011215053 [0,2,0,0,0,0|2,0,0]=4 16562 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,2,0,0,0,0|1,0,0]=3 16563 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,2,0,0,0,0|1,0,0]=3 16564 B13R1.42 COCC(O)CSc1ccccn1 62a_100011215053_100011216584 [0,2,0,0,0,0|2,0,0]=4 16565 B13R1.42 COCC(O)CSc1ccccn1 62a_100011216584_100011215053 [0,2,0,0,0,0|2,0,0]=4 16566 B13R1.42 COCC(O)CSc1cccnc1 62a_100000210063_100011215053 [0,2,0,0,0,0|2,0,0]=4 16567 B13R1.42 COCC(O)CSc1cccnc1 62a_100011215053_100000210063 [0,2,0,0,0,0|2,0,0]=4 16568 B13R1.42 COCC(O)CSc1ccncc1 62a_100000728582_100011215053 [0,2,0,0,0,0|2,0,0]=4 16569 B13R1.42 COCC(O)CSc1ccncc1 62a_100011215053_100000728582 [0,2,0,0,0,0|2,0,0]=4 16570 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,2,0,0,0,0|1,0,0]=3 16571 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,2,0,0,0,0|1,0,0]=3 16572 B13R1.42 COCN(C)CCc1ccccn1 2230a_100000737206_100000766300 [0,2,0,0,0,0|2,0,0]=4 16573 B13R1.42 COCN(C)CCc1ccccn1 269982a_100000737206_100000766300 [0,2,0,0,0,0|2,0,0]=4 16574 B13R1.42 COCN(C)CCc1cccnc1 2230a_100000763209_100000766300 [0,2,0,0,0,0|2,0,0]=4 16575 B13R1.42 COCN(C)CCc1cccnc1 269982a_100000763209_100000766300 [0,2,0,0,0,0|2,0,0]=4 16576 B13R1.42 COCN(C)CCc1ccncc1 2230a_100000742850_100000766300 [0,2,0,0,0,0|2,0,0]=4 16577 B13R1.42 COCN(C)CCc1ccncc1 269982a_100000742850_100000766300 [0,2,0,0,0,0|2,0,0]=4 16578 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,2,0,0,0,0|1,0,0]=3 16579 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,2,0,0,0,0|1,0,0]=3 16580 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,2,0,0,0,0|1,0,0]=3 16581 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,2,0,0,0,0|1,0,0]=3 16582 B13R1.42 COC[C@@H](C)NCc1ccccn1 207a_100000764878_100000209966 [0,2,0,0,0,0|2,0,0]=4 16583 B13R1.42 COC[C@@H](C)NCc1ccccn1 2230a_100000764878_100000721315 [0,2,0,0,0,0|2,0,0]=4 16584 B13R1.42 COC[C@@H](C)NCc1ccccn1 270004a_100000764878_100000209966 [0,2,0,0,0,0|2,0,0]=4 16585 B13R1.42 COC[C@@H](C)NCc1cccnc1 207a_100000764878_100000209961 [0,2,0,0,0,0|2,0,0]=4 16586 B13R1.42 COC[C@@H](C)NCc1cccnc1 2230a_100000764878_100000741622 [0,2,0,0,0,0|2,0,0]=4 16587 B13R1.42 COC[C@@H](C)NCc1cccnc1 270004a_100000764878_100000209961 [0,2,0,0,0,0|2,0,0]=4 16588 B13R1.42 COC[C@@H](C)NCc1ccncc1 207a_100000764878_100000186114 [0,2,0,0,0,0|2,0,0]=4 16589 B13R1.42 COC[C@@H](C)NCc1ccncc1 2230a_100000764878_100015193705 [0,2,0,0,0,0|2,0,0]=4 16590 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,2,0,0,0,0|1,0,0]=3 16591 B13R1.42 COC[C@@H](C)OCc1ccccn1 34a_100011934205_100000721315 [0,2,0,0,0,0|2,0,0]=4 16592 B13R1.42 COC[C@@H](C)OCc1cccnc1 34a_100011934205_100000733263 [0,2,0,0,0,0|2,0,0]=4 16593 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,2,0,0,0,0|0,0,2]=4 16594 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,2,0,0,0,0|0,0,2]=4 16595 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,2,0,0,0,0|0,0,2]=4 16596 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,2,0,0,0,0|1,1,0]=4 16597 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [0,2,0,0,0,0|1,1,0]=4 16598 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [0,2,0,0,0,0|1,1,0]=4 16599 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,2,0,0,0,0|2,0,0]=4 16600 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,2,0,0,0,0|2,0,0]=4 16601 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,2,0,0,0,0|0,0,0]=2 16602 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,2,0,0,0,0|0,0,0]=2 16603 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,2,0,0,0,0|1,0,0]=3 16604 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,2,0,0,0,0|1,0,0]=3 16605 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,2,0,0,0,0|1,0,0]=3 16606 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,2,0,0,0,0|1,0,0]=3 16607 B13R1.42 C[C@H](CCO)NCc1ccccn1 207a_100000706166_100000209966 [0,2,0,0,0,0|2,0,0]=4 16608 B13R1.42 C[C@H](CCO)NCc1ccccn1 2230a_100000706166_100000721315 [0,2,0,0,0,0|2,0,0]=4 16609 B13R1.42 C[C@H](CCO)NCc1ccccn1 270004a_100000706166_100000209966 [0,2,0,0,0,0|2,0,0]=4 16610 B13R1.42 C[C@H](CCO)NCc1ccccn1 34a_100000706166_100000721315 [0,2,0,0,0,0|2,0,0]=4 16611 B13R1.42 C[C@H](CCO)NCc1cccnc1 207a_100000706166_100000209961 [0,2,0,0,0,0|2,0,0]=4 16612 B13R1.42 C[C@H](CCO)NCc1cccnc1 2230a_100000706166_100000741622 [0,2,0,0,0,0|2,0,0]=4 16613 B13R1.42 C[C@H](CCO)NCc1cccnc1 270004a_100000706166_100000209961 [0,2,0,0,0,0|2,0,0]=4 16614 B13R1.42 C[C@H](CCO)NCc1cccnc1 34a_100000706166_100000733263 [0,2,0,0,0,0|2,0,0]=4 16615 B13R1.42 C[C@H](CCO)NCc1ccncc1 207a_100000706166_100000186114 [0,2,0,0,0,0|2,0,0]=4 16616 B13R1.42 C[C@H](CCO)NCc1ccncc1 2230a_100000706166_100015193705 [0,2,0,0,0,0|2,0,0]=4 16617 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,2,0,0,0,0|1,0,0]=3 16618 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100000185753_100011214920 [0,2,0,0,0,0|0,0,2]=4 16619 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100051588842_100000765856 [0,2,0,0,0,0|0,0,2]=4 16620 B13R1.42 N#CC[C@H](O)COc1ccccc1 7a_100000210340_100000001066 [0,2,0,0,0,0|1,0,0]=3 16621 B13R1.42 N#CC[C@H](O)COc1cccnc1 7a_100000210849_100000001066 [0,2,0,0,0,0|2,0,0]=4 16622 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000001066_100000041952 [0,2,0,0,0,0|1,0,0]=3 16623 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000719477_100000001066 [0,2,0,0,0,0|1,0,0]=3 16624 B13R1.42 N#CC[C@H](O)CSc1ccccn1 62a_100000001066_100011216584 [0,2,0,0,0,0|2,0,0]=4 16625 B13R1.42 N#CC[C@H](O)CSc1ccccn1 62a_100011216584_100000001066 [0,2,0,0,0,0|2,0,0]=4 16626 B13R1.42 N#CC[C@H](O)CSc1cccnc1 62a_100000001066_100000210063 [0,2,0,0,0,0|2,0,0]=4 16627 B13R1.42 N#CC[C@H](O)CSc1cccnc1 62a_100000210063_100000001066 [0,2,0,0,0,0|2,0,0]=4 16628 B13R1.42 N#CC[C@H](O)CSc1ccncc1 62a_100000001066_100000728582 [0,2,0,0,0,0|2,0,0]=4 16629 B13R1.42 N#CC[C@H](O)CSc1ccncc1 62a_100000728582_100000001066 [0,2,0,0,0,0|2,0,0]=4 16630 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,2,0,0,0,0|0,0,2]=4 16631 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,2,0,0,0,0|0,0,2]=4 16632 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,2,0,0,0,0|0,0,2]=4 16633 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,2,0,0,0,0|1,0,0]=3 16634 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,2,0,0,0,0|1,0,0]=3 16635 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,2,0,0,0,0|0,0,2]=4 16636 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,2,0,0,0,0|0,0,2]=4 16637 B13R1.135 C=CC(C)C(=O)Cc1ccccc1 1458a_100011216780_100015291786 [0,2,0,0,0,0|1,0,1]=4 16638 B13R1.135 C=CC(C)N(C)Cc1ccccc1 269982a_100000186898_100011215867 [0,2,0,0,0,0|2,0,0]=4 16639 B13R1.135 CC(C#N)C(=O)Cc1ccccc1 1458a_100000753662_100015291786 [0,2,0,0,0,0|1,0,1]=4 16640 B13R1.135 CC(C#N)N(C)Cc1ccccc1 2230a_100000186898_100000184139 [0,2,0,0,0,0|2,0,0]=4 16641 B13R1.135 CC(C#N)N(C)Cc1ccccc1 269982a_100000186898_100000703298 [0,2,0,0,0,0|2,0,0]=4 16642 B13R1.135 CC(C#N)N(C)Cc1ccccc1 270004a_100000745055_100015611070 [0,2,0,0,0,0|2,0,0]=4 16643 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [0,2,0,0,0,0|1,0,0]=3 16644 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [0,2,0,0,0,0|1,0,0]=3 16645 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [0,2,0,0,0,0|1,0,0]=3 16646 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [0,2,0,0,0,0|1,0,0]=3 16647 B13R1.135 CC(CO)N(C)Cc1ccccn1 2230a_100000207498_100012180447 [0,2,0,0,0,0|2,0,0]=4 16648 B13R1.135 CC(CO)N(C)Cc1ccccn1 2230a_100000693034_100000721315 [0,2,0,0,0,0|2,0,0]=4 16649 B13R1.135 CC(CO)N(C)Cc1ccccn1 269982a_100000693034_100000721315 [0,2,0,0,0,0|2,0,0]=4 16650 B13R1.135 CC(CO)N(C)Cc1ccccn1 270004a_100000693034_100000209966 [0,2,0,0,0,0|2,0,0]=4 16651 B13R1.135 CC(CO)N(C)Cc1cccnc1 2230a_100000184577_100012180447 [0,2,0,0,0,0|2,0,0]=4 16652 B13R1.135 CC(CO)N(C)Cc1cccnc1 2230a_100000693034_100000741622 [0,2,0,0,0,0|2,0,0]=4 16653 B13R1.135 CC(CO)N(C)Cc1cccnc1 269982a_100000693034_100000733263 [0,2,0,0,0,0|2,0,0]=4 16654 B13R1.135 CC(CO)N(C)Cc1cccnc1 270004a_100000693034_100000209961 [0,2,0,0,0,0|2,0,0]=4 16655 B13R1.135 CC(CO)N(C)Cc1ccncc1 2230a_100000187231_100012180447 [0,2,0,0,0,0|2,0,0]=4 16656 B13R1.135 CC(CO)N(C)Cc1ccncc1 2230a_100000693034_100015193705 [0,2,0,0,0,0|2,0,0]=4 16657 B13R1.135 CC(CO)N(C)Cc1ccncc1 269982a_100000693034_100015193705 [0,2,0,0,0,0|2,0,0]=4 16658 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,2,0,0,0,0|0,0,2]=4 16659 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,2,0,0,0,0|0,0,2]=4 16660 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,2,0,0,0,0|0,0,2]=4 16661 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,2,0,0,0,0|0,0,2]=4 16662 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,2,0,0,0,0|0,0,2]=4 16663 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,2,0,0,0,0|1,0,1]=4 16664 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,2,0,0,0,0|2,0,0]=4 16665 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,2,0,0,0,0|2,0,0]=4 16666 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,2,0,0,0,0|2,0,0]=4 16667 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,2,0,0,0,0|2,0,0]=4 16668 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,2,0,0,0,0|2,0,0]=4 16669 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,2,0,0,0,0|2,0,0]=4 16670 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,2,0,0,0,0|2,0,0]=4 16671 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,2,0,0,0,0|2,0,0]=4 16672 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,2,0,0,0,0|2,0,0]=4 16673 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,2,0,0,0,0|0,0,1]=3 16674 B13R1.135 CCC(O)C(=O)Cc1ccccn1 1458a_100011196387_100000721315 [0,2,0,0,0,0|1,0,1]=4 16675 B13R1.135 CCC(O)C(=O)Cc1cccnc1 1458a_100011196387_100000733263 [0,2,0,0,0,0|1,0,1]=4 16676 B13R1.135 CCC(O)C(=O)Cc1ccncc1 1458a_100011196387_100000705612 [0,2,0,0,0,0|1,0,1]=4 16677 B13R1.135 CCC(O)C(=O)Nc1ccccc1 22a_100000106764_100011196387 [0,2,0,0,0,0|1,0,1]=4 16678 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,2,0,0,0,0|2,0,0]=4 16679 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,2,0,0,0,0|0,0,2]=4 16680 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,2,0,0,0,0|0,0,2]=4 16681 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,2,0,0,0,0|0,0,2]=4 16682 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,2,0,0,0,0|0,0,2]=4 16683 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,2,0,0,0,0|0,0,2]=4 16684 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,2,0,0,0,0|1,0,0]=3 16685 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,2,0,0,0,0|1,0,0]=3 16686 B13R1.135 CNC(C)C(C)Oc1ccccc1 270004a_106832991635_100000150574 [0,2,0,0,0,0|2,0,0]=4 16687 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,2,0,0,0,0|0,0,1]=3 16688 B13R1.135 COC(C)C(=O)Cc1ccccn1 1458a_100000743197_100000721315 [0,2,0,0,0,0|1,0,1]=4 16689 B13R1.135 COC(C)C(=O)Cc1cccnc1 1458a_100000743197_100000733263 [0,2,0,0,0,0|1,0,1]=4 16690 B13R1.135 COC(C)C(=O)Cc1ccncc1 1458a_100000743197_100000705612 [0,2,0,0,0,0|1,0,1]=4 16691 B13R1.135 COC(C)C(=O)Nc1ccccc1 11a_100000106764_100000743197 [0,2,0,0,0,0|1,0,1]=4 16692 B13R1.135 COC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000743197 [0,2,0,0,0,0|1,0,1]=4 16693 B13R1.135 COC(C)C(=O)Nc1ccccc1 22a_100000106764_100000743197 [0,2,0,0,0,0|1,0,1]=4 16694 B13R1.135 COC(C)C(=O)Nc1ccccc1 34a_100138415774_100000183986 [0,2,0,0,0,0|1,0,1]=4 16695 B13R1.135 COC(C)C(=O)Nc1ccccc1 527a_100000106764_100000743197 [0,2,0,0,0,0|1,0,1]=4 16696 B13R1.135 COC(C)N(C)Cc1ccccc1 269982a_100000186898_100009879195 [0,2,0,0,0,0|1,0,0]=3 16697 B13R1.135 COC(C)N(C)Cc1ccccn1 269982a_100000207498_100009879195 [0,2,0,0,0,0|2,0,0]=4 16698 B13R1.135 COC(C)N(C)Cc1cccnc1 269982a_100000184577_100009879195 [0,2,0,0,0,0|2,0,0]=4 16699 B13R1.135 COC(C)N(C)Cc1ccncc1 269982a_100000187231_100009879195 [0,2,0,0,0,0|2,0,0]=4 16700 B13R1.135 CSC(C)C(=O)Cc1ccccc1 1458a_100000149566_100015291786 [0,2,0,0,0,0|0,1,1]=4 16701 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [0,2,0,0,0,0|1,0,0]=3 16702 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [0,2,0,0,0,0|1,0,0]=3 16703 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [0,2,0,0,0,0|1,0,0]=3 16704 B13R1.135 C[C@H](CO)N(C)Cc1ccccn1 269982a_100000207498_100016084084 [0,2,0,0,0,0|2,0,0]=4 16705 B13R1.135 C[C@H](CO)N(C)Cc1cccnc1 269982a_100000184577_100016084084 [0,2,0,0,0,0|2,0,0]=4 16706 B13R1.135 C[C@H](CO)N(C)Cc1ccncc1 269982a_100000187231_100016084084 [0,2,0,0,0,0|2,0,0]=4 16707 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [0,2,0,0,0,0|1,0,0]=3 16708 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [0,2,0,0,0,0|1,0,0]=3 16709 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,2,0,0,0,0|0,0,2]=4 16710 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [0,2,0,0,0,0|0,0,1]=3 16711 B13R1.135 O=C(Cc1ccccn1)C(O)CO 1458a_100011215603_100000721315 [0,2,0,0,0,0|1,0,1]=4 16712 B13R1.135 O=C(Cc1cccnc1)C(O)CO 1458a_100011215603_100000733263 [0,2,0,0,0,0|1,0,1]=4 16713 B13R1.135 O=C(Cc1ccncc1)C(O)CO 1458a_100011215603_100000705612 [0,2,0,0,0,0|1,0,1]=4 16714 B13R1.135 O=C(Nc1ccccc1)C(O)CO 22a_100000106764_100011215603 [0,2,0,0,0,0|1,0,1]=4 16715 B13R1.254 C#CC(C)(C)NCc1ccccc1 270004a_100000054563_100015611070 [0,2,0,0,0,0|2,0,0]=4 16716 B13R1.254 C#CC(C)(C)NCc1ccccc1 34a_100000054563_100015291786 [0,2,0,0,0,0|2,0,0]=4 16717 B13R1.254 C#CC(C)(C)NCc1ccccc1 34a_100015324214_100000038118 [0,2,0,0,0,0|2,0,0]=4 16718 B13R1.254 C#CC(C)(C)OCc1ccccc1 34a_100000189450_100015291786 [0,2,0,0,0,0|2,0,0]=4 16719 B13R1.254 C#CC(C)(C)OCc1ccccc1 34a_100000210790_100000038118 [0,2,0,0,0,0|2,0,0]=4 16720 B13R1.254 C#CC(C)(C)OCc1ccccc1 7a_100000189450_100000211182 [0,2,0,0,0,0|2,0,0]=4 16721 B13R1.254 C#CC(C)(C)SCc1ccccc1 62a_100000038118_100015291786 [0,2,0,0,0,0|2,0,0]=4 16722 B13R1.254 C#CC(C)(C)SCc1ccccc1 62a_100000211182_100000038118 [0,2,0,0,0,0|2,0,0]=4 16723 B13R1.254 C=CC(C)(C)OCc1ccccc1 34a_100011215311_100015291786 [0,2,0,0,0,0|2,0,0]=4 16724 B13R1.254 C=CC(C)(C)OCc1ccccc1 7a_100011215311_100000211182 [0,2,0,0,0,0|2,0,0]=4 16725 B13R1.254 CC(C)(C#Cc1ccccc1)O[13CH3] 34a_100011204173_200025704644 [0,2,0,0,0,0|0,0,2]=4 16726 B13R1.254 CC(C)(C#Cc1ccccc1)O[13CH3] 7a_100011204173_200025704644 [0,2,0,0,0,0|0,0,2]=4 16727 B13R1.254 CC(C)(C#N)NCc1ccccc1 34a_100015324214_100011162410 [0,2,0,0,0,0|2,0,0]=4 16728 B13R1.254 CC(C)(C#N)OCc1ccccc1 34a_100000210790_100011162410 [0,2,0,0,0,0|2,0,0]=4 16729 B13R1.254 CC(C)(C#N)OCc1ccccc1 34a_200015195151_100015291786 [0,2,0,0,0,0|2,0,0]=4 16730 B13R1.254 CC(C)(C#N)OCc1ccccc1 7a_100000210790_100011162410 [0,2,0,0,0,0|2,0,0]=4 16731 B13R1.254 CC(C)(C#N)SCc1ccccc1 62a_100000211182_100011162410 [0,2,0,0,0,0|2,0,0]=4 16732 B13R1.254 CC(C)(C#N)SCc1ccccc1 62a_100011162410_100015291786 [0,2,0,0,0,0|2,0,0]=4 16733 B13R1.254 CC(C)(CCc1ccccc1)O[13CH3] 7a_100000750528_200025704644 [0,2,0,0,0,0|0,0,0]=2 16734 B13R1.254 CC(C)(CCl)OCc1ccccc1 7a_100000764493_100000211182 [0,2,0,0,0,0|2,0,0]=4 16735 B13R1.254 CC(C)(CO)CNc1ccccc1 34a_100000106764_100009813988 [0,2,0,0,0,0|1,0,0]=3 16736 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [0,2,0,0,0,0|1,0,0]=3 16737 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [0,2,0,0,0,0|1,0,0]=3 16738 B13R1.254 CC(C)(CO)COc1cccnc1 34a_100000210849_100009813988 [0,2,0,0,0,0|2,0,0]=4 16739 B13R1.254 CC(C)(CO)COc1cccnc1 7a_100000210849_100009813988 [0,2,0,0,0,0|2,0,0]=4 16740 B13R1.254 CC(C)(CO)COc1ccncc1 34a_100000212176_100009813988 [0,2,0,0,0,0|2,0,0]=4 16741 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100000719477_100009813988 [0,2,0,0,0,0|1,0,0]=3 16742 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100009813988_100000041952 [0,2,0,0,0,0|1,0,0]=3 16743 B13R1.254 CC(C)(CO)CSc1ccccn1 62a_100009813988_100011216584 [0,2,0,0,0,0|2,0,0]=4 16744 B13R1.254 CC(C)(CO)CSc1ccccn1 62a_100011216584_100009813988 [0,2,0,0,0,0|2,0,0]=4 16745 B13R1.254 CC(C)(CO)CSc1cccnc1 62a_100000210063_100009813988 [0,2,0,0,0,0|2,0,0]=4 16746 B13R1.254 CC(C)(CO)CSc1cccnc1 62a_100009813988_100000210063 [0,2,0,0,0,0|2,0,0]=4 16747 B13R1.254 CC(C)(CO)CSc1ccncc1 62a_100000728582_100009813988 [0,2,0,0,0,0|2,0,0]=4 16748 B13R1.254 CC(C)(CO)CSc1ccncc1 62a_100009813988_100000728582 [0,2,0,0,0,0|2,0,0]=4 16749 B13R1.254 CC(C)(CO)NCc1ccccc1 207a_100000210608_100015611070 [0,2,0,0,0,0|1,0,0]=3 16750 B13R1.254 CC(C)(CO)NCc1ccccc1 2230a_100000210608_100015291786 [0,2,0,0,0,0|1,0,0]=3 16751 B13R1.254 CC(C)(CO)NCc1ccccc1 270004a_100000210608_100015611070 [0,2,0,0,0,0|1,0,0]=3 16752 B13R1.254 CC(C)(CO)NCc1ccccn1 207a_100000210608_100000209966 [0,2,0,0,0,0|2,0,0]=4 16753 B13R1.254 CC(C)(CO)NCc1ccccn1 2230a_100000210608_100000721315 [0,2,0,0,0,0|2,0,0]=4 16754 B13R1.254 CC(C)(CO)NCc1ccccn1 270004a_100000210608_100000209966 [0,2,0,0,0,0|2,0,0]=4 16755 B13R1.254 CC(C)(CO)NCc1cccnc1 207a_100000210608_100000209961 [0,2,0,0,0,0|2,0,0]=4 16756 B13R1.254 CC(C)(CO)NCc1cccnc1 2230a_100000210608_100000741622 [0,2,0,0,0,0|2,0,0]=4 16757 B13R1.254 CC(C)(CO)NCc1cccnc1 270004a_100000210608_100000209961 [0,2,0,0,0,0|2,0,0]=4 16758 B13R1.254 CC(C)(CO)NCc1ccncc1 207a_100000210608_100000186114 [0,2,0,0,0,0|2,0,0]=4 16759 B13R1.254 CC(C)(CO)NCc1ccncc1 2230a_100000210608_100015193705 [0,2,0,0,0,0|2,0,0]=4 16760 B13R1.254 CCC(C)(C)NCc1ccccc1 207a_100000211385_100015611070 [0,2,0,0,0,0|2,0,0]=4 16761 B13R1.254 CCC(C)(C)NCc1ccccc1 2230a_100000211385_100015291786 [0,2,0,0,0,0|2,0,0]=4 16762 B13R1.254 CCC(C)(C)NCc1ccccc1 270004a_100000211385_100015611070 [0,2,0,0,0,0|2,0,0]=4 16763 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210230_100000211182 [0,2,0,0,0,0|2,0,0]=4 16764 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210790_100000210677 [0,2,0,0,0,0|2,0,0]=4 16765 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000032637_100015291786 [0,2,0,0,0,0|2,0,0]=4 16766 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000211182_100000032637 [0,2,0,0,0,0|2,0,0]=4 16767 B13R1.254 CNS(=O)(=O)CCc1ccccc1 270084a_100102657272_100000738789 [0,2,0,0,0,0|1,0,1]=4 16768 B13R1.254 CNS(=O)(=O)CCc1ccccc1 274078a_100102657272_100000738789 [0,2,0,0,0,0|1,0,1]=4 16769 B13R1.254 COC(C)(C)C#Cc1ccccc1 34a_100011204173_200000210301 [0,2,0,0,0,0|0,0,2]=4 16770 B13R1.254 COC(C)(C)C#Cc1ccccc1 7a_100011204173_200000210301 [0,2,0,0,0,0|0,0,2]=4 16771 B13R1.254 COC(C)(C)CCc1ccccc1 7a_100000750528_200000210301 [0,2,0,0,0,0|0,0,0]=2 16772 B13R1.254 COC(C)(C)CNc1ccccc1 34a_100000106764_100000701081 [0,2,0,0,0,0|1,0,0]=3 16773 B13R1.254 COC(C)(C)COc1ccccc1 34a_100000210340_100000701081 [0,2,0,0,0,0|1,0,0]=3 16774 B13R1.254 COC(C)(C)COc1cccnc1 34a_100000210849_100000701081 [0,2,0,0,0,0|2,0,0]=4 16775 B13R1.254 COC(C)(C)COc1ccncc1 34a_100000212176_100000701081 [0,2,0,0,0,0|2,0,0]=4 16776 B13R1.254 COC(C)(C)CSc1ccccc1 62a_100000701081_100000041952 [0,2,0,0,0,0|1,0,0]=3 16777 B13R1.254 COC(C)(C)CSc1ccccc1 62a_100000719477_100000701081 [0,2,0,0,0,0|1,0,0]=3 16778 B13R1.254 COC(C)(C)CSc1ccccn1 62a_100000701081_100011216584 [0,2,0,0,0,0|2,0,0]=4 16779 B13R1.254 COC(C)(C)CSc1ccccn1 62a_100011216584_100000701081 [0,2,0,0,0,0|2,0,0]=4 16780 B13R1.254 COC(C)(C)CSc1cccnc1 62a_100000210063_100000701081 [0,2,0,0,0,0|2,0,0]=4 16781 B13R1.254 COC(C)(C)CSc1cccnc1 62a_100000701081_100000210063 [0,2,0,0,0,0|2,0,0]=4 16782 B13R1.254 COC(C)(C)CSc1ccncc1 62a_100000701081_100000728582 [0,2,0,0,0,0|2,0,0]=4 16783 B13R1.254 COC(C)(C)CSc1ccncc1 62a_100000728582_100000701081 [0,2,0,0,0,0|2,0,0]=4 16784 B13R1.254 OCC(F)(F)SCc1ccccc1 62a_100000211182_100011217949 [0,2,0,0,0,0|2,0,0]=4 16785 B13R1.254 OCC(F)(F)SCc1ccccc1 62a_100011217949_100015291786 [0,2,0,0,0,0|2,0,0]=4 16786 B13R1.417 C#CC(CC)OCc1ccccc1 34a_100000758843_100015291786 [0,2,0,0,0,0|2,0,0]=4 16787 B13R1.417 C#CC(CC)OCc1ccccc1 7a_100000758843_100000211182 [0,2,0,0,0,0|2,0,0]=4 16788 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,2,0,0,0,0|2,0,0]=4 16789 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,2,0,0,0,0|2,0,0]=4 16790 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 2230a_100016989147_100015291786 [0,2,0,0,0,0|1,0,1]=4 16791 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 270004a_100016989147_100015611070 [0,2,0,0,0,0|1,0,1]=4 16792 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 34a_100016989147_100015291786 [0,2,0,0,0,0|1,0,1]=4 16793 B13R1.417 CCC(C#Cc1ccccc1)OC 34a_200000065154_200000210301 [0,2,0,0,0,0|0,0,2]=4 16794 B13R1.417 CCC(C#Cc1ccccc1)OC 7a_200000065154_200000210301 [0,2,0,0,0,0|0,0,2]=4 16795 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 34a_200000065154_200025704644 [0,2,0,0,0,0|0,0,2]=4 16796 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 7a_200000065154_200025704644 [0,2,0,0,0,0|0,0,2]=4 16797 B13R1.417 CCC(CC)CNc1ccccc1 34a_100000106764_100011215472 [0,2,0,0,0,0|2,0,0]=4 16798 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [0,2,0,0,0,0|2,0,0]=4 16799 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [0,2,0,0,0,0|2,0,0]=4 16800 B13R1.417 CCC(CC)CSc1ccccc1 62a_100000719477_100011215472 [0,2,0,0,0,0|2,0,0]=4 16801 B13R1.417 CCC(CC)CSc1ccccc1 62a_100011215472_100000041952 [0,2,0,0,0,0|2,0,0]=4 16802 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,2,0,0,0,0|2,0,0]=4 16803 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,2,0,0,0,0|2,0,0]=4 16804 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,2,0,0,0,0|2,0,0]=4 16805 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,2,0,0,0,0|2,0,0]=4 16806 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,2,0,0,0,0|2,0,0]=4 16807 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,2,0,0,0,0|2,0,0]=4 16808 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,2,0,0,0,0|2,0,0]=4 16809 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,2,0,0,0,0|2,0,0]=4 16810 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,2,0,0,0,0|1,0,0]=3 16811 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000724800_100000765856 [0,2,0,0,0,0|2,0,0]=4 16812 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000741020_100000210202 [0,2,0,0,0,0|2,0,0]=4 16813 B13R1.417 CCN(CC)CCc1ccccc1 269956a_100000042499_100000765856 [0,2,0,0,0,0|2,0,0]=4 16814 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000724800_100000765856 [0,2,0,0,0,0|2,0,0]=4 16815 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000741020_100000204670 [0,2,0,0,0,0|2,0,0]=4 16816 B13R1.417 CCN(CF)CCc1ccccc1 269982a_100000741020_100015361967 [0,2,0,0,0,0|2,0,0]=4 16817 B13R1.417 CC[C@@H](CO)NCc1ccccc1 207a_100000709445_100015611070 [0,2,0,0,0,0|1,0,0]=3 16818 B13R1.417 CC[C@@H](CO)NCc1ccccc1 2230a_100000709445_100015291786 [0,2,0,0,0,0|1,0,0]=3 16819 B13R1.417 CC[C@@H](CO)NCc1ccccc1 270004a_100000709445_100015611070 [0,2,0,0,0,0|1,0,0]=3 16820 B13R1.417 CC[C@@H](CO)NCc1ccccn1 207a_100000709445_100000209966 [0,2,0,0,0,0|2,0,0]=4 16821 B13R1.417 CC[C@@H](CO)NCc1ccccn1 2230a_100000709445_100000721315 [0,2,0,0,0,0|2,0,0]=4 16822 B13R1.417 CC[C@@H](CO)NCc1ccccn1 270004a_100000709445_100000209966 [0,2,0,0,0,0|2,0,0]=4 16823 B13R1.417 CC[C@@H](CO)NCc1cccnc1 207a_100000709445_100000209961 [0,2,0,0,0,0|2,0,0]=4 16824 B13R1.417 CC[C@@H](CO)NCc1cccnc1 2230a_100000709445_100000741622 [0,2,0,0,0,0|2,0,0]=4 16825 B13R1.417 CC[C@@H](CO)NCc1cccnc1 270004a_100000709445_100000209961 [0,2,0,0,0,0|2,0,0]=4 16826 B13R1.417 CC[C@@H](CO)NCc1ccncc1 207a_100000709445_100000186114 [0,2,0,0,0,0|2,0,0]=4 16827 B13R1.417 CC[C@@H](CO)NCc1ccncc1 2230a_100000709445_100015193705 [0,2,0,0,0,0|2,0,0]=4 16828 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,2,0,0,0,0|1,0,0]=3 16829 B13R1.417 COC(CNc1ccccc1)OC 34a_100000106764_100000211822 [0,2,0,0,0,0|1,0,0]=3 16830 B13R1.417 COC(COc1ccccc1)OC 34a_100000210340_100000211822 [0,2,0,0,0,0|1,0,0]=3 16831 B13R1.417 COC(COc1ccccc1)OC 7a_100000210340_100000751394 [0,2,0,0,0,0|1,0,0]=3 16832 B13R1.417 COC(COc1cccnc1)OC 34a_100000210849_100000211822 [0,2,0,0,0,0|2,0,0]=4 16833 B13R1.417 COC(COc1cccnc1)OC 7a_100000210849_100000751394 [0,2,0,0,0,0|2,0,0]=4 16834 B13R1.417 COC(COc1ccncc1)OC 34a_100000212176_100000211822 [0,2,0,0,0,0|2,0,0]=4 16835 B13R1.417 COC(CSc1ccccc1)OC 62a_100000719477_100000751394 [0,2,0,0,0,0|1,0,0]=3 16836 B13R1.417 COC(CSc1ccccc1)OC 62a_100000751394_100000041952 [0,2,0,0,0,0|1,0,0]=3 16837 B13R1.417 COC(CSc1ccccn1)OC 62a_100000751394_100011216584 [0,2,0,0,0,0|2,0,0]=4 16838 B13R1.417 COC(CSc1ccccn1)OC 62a_100011216584_100000751394 [0,2,0,0,0,0|2,0,0]=4 16839 B13R1.417 COC(CSc1cccnc1)OC 62a_100000210063_100000751394 [0,2,0,0,0,0|2,0,0]=4 16840 B13R1.417 COC(CSc1cccnc1)OC 62a_100000751394_100000210063 [0,2,0,0,0,0|2,0,0]=4 16841 B13R1.417 COC(CSc1ccncc1)OC 62a_100000728582_100000751394 [0,2,0,0,0,0|2,0,0]=4 16842 B13R1.417 COC(CSc1ccncc1)OC 62a_100000751394_100000728582 [0,2,0,0,0,0|2,0,0]=4 16843 B13R1.417 ClCC(CCl)OCc1ccccc1 7a_100000737055_100000211182 [0,2,0,0,0,0|2,0,0]=4 16844 B13R1.417 FCC(CF)OCc1ccccc1 34a_100000032261_100015291786 [0,2,0,0,0,0|2,0,0]=4 16845 B13R1.417 FCC(CF)OCc1ccccc1 7a_100000032261_100000211182 [0,2,0,0,0,0|2,0,0]=4 16846 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 34a_100015614560_100015291786 [0,2,0,0,0,0|2,0,0]=4 16847 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 7a_100015614560_100000211182 [0,2,0,0,0,0|2,0,0]=4 16848 B13R1.417 NCC(CN)OCc1ccccc1 34a_100000031598_100015291786 [0,2,0,0,0,0|2,0,0]=4 16849 B13R1.417 OCC(CO)NCc1ccccc1 207a_100000759517_100015611070 [0,2,0,0,0,0|1,0,0]=3 16850 B13R1.417 OCC(CO)NCc1ccccc1 2230a_100000759517_100015291786 [0,2,0,0,0,0|1,0,0]=3 16851 B13R1.417 OCC(CO)NCc1ccccn1 207a_100000759517_100000209966 [0,2,0,0,0,0|2,0,0]=4 16852 B13R1.417 OCC(CO)NCc1ccccn1 2230a_100000759517_100000721315 [0,2,0,0,0,0|2,0,0]=4 16853 B13R1.417 OCC(CO)NCc1cccnc1 207a_100000759517_100000209961 [0,2,0,0,0,0|2,0,0]=4 16854 B13R1.417 OCC(CO)NCc1cccnc1 2230a_100000759517_100000741622 [0,2,0,0,0,0|2,0,0]=4 16855 B13R1.417 OCC(CO)NCc1ccncc1 207a_100000759517_100000186114 [0,2,0,0,0,0|2,0,0]=4 16856 B13R1.417 OCC(CO)NCc1ccncc1 2230a_100000759517_100015193705 [0,2,0,0,0,0|2,0,0]=4 16857 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,2,0,0,0,0|1,0,0]=3 16858 B13R1.528 C#CC(C)NCc1ccccc1Br 2230a_100000707721_100000184730 [0,2,0,0,0,0|2,0,0]=4 16859 B13R1.528 C#CC(C)NCc1ccccc1Br 270004a_100000707721_100000211189 [0,2,0,0,0,0|2,0,0]=4 16860 B13R1.528 C#CC(C)NCc1ccccc1Br 34a_100000689332_200000035995 [0,2,0,0,0,0|2,0,0]=4 16861 B13R1.528 C#CC(C)NCc1ccccc1Br 34a_100000707721_100000184730 [0,2,0,0,0,0|2,0,0]=4 16862 B13R1.528 C#CC(C)NCc1ccccc1C 2230a_100000707721_100000211839 [0,2,0,0,0,0|2,0,0]=4 16863 B13R1.528 C#CC(C)NCc1ccccc1C 270004a_100000707721_100000211143 [0,2,0,0,0,0|2,0,0]=4 16864 B13R1.528 C#CC(C)NCc1ccccc1C 34a_100000174972_200000035995 [0,2,0,0,0,0|2,0,0]=4 16865 B13R1.528 C#CC(C)NCc1ccccc1C 34a_100000707721_100000211839 [0,2,0,0,0,0|2,0,0]=4 16866 B13R1.528 C#CC(C)NCc1ccccc1Cl 2230a_100000707721_100000187162 [0,2,0,0,0,0|2,0,0]=4 16867 B13R1.528 C#CC(C)NCc1ccccc1Cl 270004a_100000707721_100000210073 [0,2,0,0,0,0|2,0,0]=4 16868 B13R1.528 C#CC(C)NCc1ccccc1Cl 34a_100000174879_200000035995 [0,2,0,0,0,0|2,0,0]=4 16869 B13R1.528 C#CC(C)NCc1ccccc1Cl 34a_100000707721_100000187162 [0,2,0,0,0,0|2,0,0]=4 16870 B13R1.528 C#CC(C)NCc1ccccc1F 2230a_100000707721_100000211605 [0,2,0,0,0,0|2,0,0]=4 16871 B13R1.528 C#CC(C)NCc1ccccc1F 270004a_100000707721_100000210811 [0,2,0,0,0,0|2,0,0]=4 16872 B13R1.528 C#CC(C)NCc1ccccc1F 34a_100000174869_200000035995 [0,2,0,0,0,0|2,0,0]=4 16873 B13R1.528 C#CC(C)NCc1ccccc1F 34a_100000707721_100000211605 [0,2,0,0,0,0|2,0,0]=4 16874 B13R1.528 C#CC(C)NCc1ccccc1I 2230a_100000707721_100011215278 [0,2,0,0,0,0|2,0,0]=4 16875 B13R1.528 C#CC(C)NCc1ccccc1I 270004a_100000707721_100000010305 [0,2,0,0,0,0|2,0,0]=4 16876 B13R1.528 C#CC(C)NCc1ccccc1I 34a_100000707721_100011215278 [0,2,0,0,0,0|2,0,0]=4 16877 B13R1.528 C#CC(C)NCc1ccccc1O 34a_100000185550_200000035995 [0,2,0,0,0,0|2,0,0]=4 16878 B13R1.528 C#CC(C)OCc1ccccc1Br 34a_100000756307_200000035995 [0,2,0,0,0,0|2,0,0]=4 16879 B13R1.528 C#CC(C)OCc1ccccc1C 34a_100000698903_200000035995 [0,2,0,0,0,0|2,0,0]=4 16880 B13R1.528 C#CC(C)OCc1ccccc1Cl 34a_100000210847_200000035995 [0,2,0,0,0,0|2,0,0]=4 16881 B13R1.528 C#CC(C)OCc1ccccc1F 34a_100000211962_200000035995 [0,2,0,0,0,0|2,0,0]=4 16882 B13R1.528 C#CC(C)OCc1ccccc1I 34a_100000187465_200000035995 [0,2,0,0,0,0|2,0,0]=4 16883 B13R1.528 C#CC(C)OCc1ccccc1N 34a_100000212039_200000035995 [0,2,0,0,0,0|2,0,0]=4 16884 B13R1.528 C#CC(C)SCc1ccccc1Br 62a_200000035995_100000184730 [0,2,0,0,0,0|2,0,0]=4 16885 B13R1.528 C#CC(C)SCc1ccccc1C 62a_200000035995_100000211839 [0,2,0,0,0,0|2,0,0]=4 16886 B13R1.528 C#CC(C)SCc1ccccc1Cl 62a_200000035995_100000187162 [0,2,0,0,0,0|2,0,0]=4 16887 B13R1.528 C#CC(C)SCc1ccccc1F 62a_200000035995_100000211605 [0,2,0,0,0,0|2,0,0]=4 16888 B13R1.528 C#CC(C)SCc1ccccc1I 62a_200000035995_100011216222 [0,2,0,0,0,0|2,0,0]=4 16889 B13R1.528 C#C[C@@H](C)OCc1ccccc1Br 34a_100009815206_100000184730 [0,2,0,0,0,0|2,0,0]=4 16890 B13R1.528 C#C[C@@H](C)OCc1ccccc1Br 7a_100009815206_100000184730 [0,2,0,0,0,0|2,0,0]=4 16891 B13R1.528 C#C[C@@H](C)OCc1ccccc1C 34a_100009815206_100000211839 [0,2,0,0,0,0|2,0,0]=4 16892 B13R1.528 C#C[C@@H](C)OCc1ccccc1C 7a_100009815206_100000211839 [0,2,0,0,0,0|2,0,0]=4 16893 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 34a_100009815206_100000187162 [0,2,0,0,0,0|2,0,0]=4 16894 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 7a_100009815206_100000187162 [0,2,0,0,0,0|2,0,0]=4 16895 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 34a_100009815206_100000211605 [0,2,0,0,0,0|2,0,0]=4 16896 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 7a_100009815206_100000211605 [0,2,0,0,0,0|2,0,0]=4 16897 B13R1.528 C#C[C@@H](C)OCc1ccccc1I 34a_100009815206_100011215278 [0,2,0,0,0,0|2,0,0]=4 16898 B13R1.528 C#C[C@@H](C)OCc1ccccc1I 7a_100009815206_100011215278 [0,2,0,0,0,0|2,0,0]=4 16899 B13R1.528 C=CC(C)OCc1ccccc1Br 34a_100000695699_100000184730 [0,2,0,0,0,0|2,0,0]=4 16900 B13R1.528 C=CC(C)OCc1ccccc1C 34a_100000695699_100000211839 [0,2,0,0,0,0|2,0,0]=4 16901 B13R1.528 C=CC(C)OCc1ccccc1Cl 34a_100000695699_100000187162 [0,2,0,0,0,0|2,0,0]=4 16902 B13R1.528 C=CC(C)OCc1ccccc1F 34a_100000695699_100000211605 [0,2,0,0,0,0|2,0,0]=4 16903 B13R1.528 C=CC(C)OCc1ccccc1I 34a_100000695699_100011215278 [0,2,0,0,0,0|2,0,0]=4 16904 B13R1.528 C=CC(C)SCc1ccccc1Br 62a_100011215867_100000184730 [0,2,0,0,0,0|2,0,0]=4 16905 B13R1.528 C=CC(C)SCc1ccccc1C 62a_100011215867_100000211839 [0,2,0,0,0,0|2,0,0]=4 16906 B13R1.528 C=CC(C)SCc1ccccc1Cl 62a_100011215867_100000187162 [0,2,0,0,0,0|2,0,0]=4 16907 B13R1.528 C=CC(C)SCc1ccccc1F 62a_100011215867_100000211605 [0,2,0,0,0,0|2,0,0]=4 16908 B13R1.528 C=CC(C)SCc1ccccc1I 62a_100011215867_100011216222 [0,2,0,0,0,0|2,0,0]=4 16909 B13R1.528 C=CC(O)CNc1ccccc1Br 34a_100000210017_100000730141 [0,2,0,0,0,0|1,0,1]=4 16910 B13R1.528 C=CC(O)CNc1ccccc1C 34a_100015192222_100000730141 [0,2,0,0,0,0|1,0,1]=4 16911 B13R1.528 C=CC(O)CNc1ccccc1Cl 34a_100000185783_100000730141 [0,2,0,0,0,0|1,0,1]=4 16912 B13R1.528 C=CC(O)CNc1ccccc1F 34a_100000210422_100000730141 [0,2,0,0,0,0|1,0,1]=4 16913 B13R1.528 C=CC(O)CNc1ccccc1I 34a_100000210053_100000730141 [0,2,0,0,0,0|1,0,1]=4 16914 B13R1.528 C=CC(O)CNc1ccccc1O 34a_100000185747_100000730141 [0,2,0,0,0,0|1,0,1]=4 16915 B13R1.528 C=CC(O)COc1ccccc1Br 34a_100000181306_100000730141 [0,2,0,0,0,0|1,0,1]=4 16916 B13R1.528 C=CC(O)COc1ccccc1Br 7a_100000181306_100000730141 [0,2,0,0,0,0|1,0,1]=4 16917 B13R1.528 C=CC(O)COc1ccccc1C 34a_100000210338_100000730141 [0,2,0,0,0,0|1,0,1]=4 16918 B13R1.528 C=CC(O)COc1ccccc1C 7a_100000210338_100000730141 [0,2,0,0,0,0|1,0,1]=4 16919 B13R1.528 C=CC(O)COc1ccccc1Cl 34a_100000210172_100000730141 [0,2,0,0,0,0|1,0,1]=4 16920 B13R1.528 C=CC(O)COc1ccccc1Cl 7a_100000210172_100000730141 [0,2,0,0,0,0|1,0,1]=4 16921 B13R1.528 C=CC(O)COc1ccccc1F 34a_100000210171_100000730141 [0,2,0,0,0,0|1,0,1]=4 16922 B13R1.528 C=CC(O)COc1ccccc1F 7a_100000210171_100000730141 [0,2,0,0,0,0|1,0,1]=4 16923 B13R1.528 C=CC(O)COc1ccccc1I 34a_100000739446_100000730141 [0,2,0,0,0,0|1,0,1]=4 16924 B13R1.528 C=CC(O)COc1ccccc1I 7a_100000739446_100000730141 [0,2,0,0,0,0|1,0,1]=4 16925 B13R1.528 C=CC(O)COc1ccccc1N 34a_100000185747_100000730141 [0,2,0,0,0,0|1,0,1]=4 16926 B13R1.528 C=CC(O)COc1ccccc1N 7a_100000185747_100000730141 [0,2,0,0,0,0|1,0,1]=4 16927 B13R1.528 C=CC(O)CSc1ccccc1Br 62a_100000695589_100000730141 [0,2,0,0,0,0|1,0,1]=4 16928 B13R1.528 C=CC(O)CSc1ccccc1Br 62a_100000730141_100000695589 [0,2,0,0,0,0|1,0,1]=4 16929 B13R1.528 C=CC(O)CSc1ccccc1C 62a_100000210755_100000730141 [0,2,0,0,0,0|1,0,1]=4 16930 B13R1.528 C=CC(O)CSc1ccccc1C 62a_100000730141_100000210755 [0,2,0,0,0,0|1,0,1]=4 16931 B13R1.528 C=CC(O)CSc1ccccc1Cl 62a_100000730141_100000764095 [0,2,0,0,0,0|1,0,1]=4 16932 B13R1.528 C=CC(O)CSc1ccccc1Cl 62a_100000764095_100000730141 [0,2,0,0,0,0|1,0,1]=4 16933 B13R1.528 C=CC(O)CSc1ccccc1F 62a_100000730141_100011215700 [0,2,0,0,0,0|1,0,1]=4 16934 B13R1.528 C=CC(O)CSc1ccccc1F 62a_100011215700_100000730141 [0,2,0,0,0,0|1,0,1]=4 16935 B13R1.528 C=CC(O)CSc1ccccc1N 62a_100000210017_100000730141 [0,2,0,0,0,0|1,0,1]=4 16936 B13R1.528 C=CC(O)CSc1ccccc1N 62a_100000730141_100000210017 [0,2,0,0,0,0|1,0,1]=4 16937 B13R1.528 C=CC(O)CSc1ccccc1O 62a_100000730141_100000739446 [0,2,0,0,0,0|1,0,1]=4 16938 B13R1.528 C=CC(O)CSc1ccccc1O 62a_100000739446_100000730141 [0,2,0,0,0,0|1,0,1]=4 16939 B13R1.528 CC(C#N)NCc1ccccc1Br 2230a_100000689332_100000184139 [0,2,0,0,0,0|2,0,0]=4 16940 B13R1.528 CC(C#N)NCc1ccccc1Br 2230a_100000737613_100000184730 [0,2,0,0,0,0|2,0,0]=4 16941 B13R1.528 CC(C#N)NCc1ccccc1Cl 2230a_100000174879_100000184139 [0,2,0,0,0,0|2,0,0]=4 16942 B13R1.528 CC(C#N)NCc1ccccc1Cl 2230a_100000737613_100000187162 [0,2,0,0,0,0|2,0,0]=4 16943 B13R1.528 CC(C#N)NCc1ccccc1F 2230a_100000737613_100000211605 [0,2,0,0,0,0|2,0,0]=4 16944 B13R1.528 CC(C#N)NCc1ccccc1I 2230a_100000737613_100011215278 [0,2,0,0,0,0|2,0,0]=4 16945 B13R1.528 CC(C#N)OCc1ccccc1Br 34a_100011218135_100000184730 [0,2,0,0,0,0|2,0,0]=4 16946 B13R1.528 CC(C#N)OCc1ccccc1Br 7a_100000756307_100000703298 [0,2,0,0,0,0|2,0,0]=4 16947 B13R1.528 CC(C#N)OCc1ccccc1Cl 34a_100011218135_100000187162 [0,2,0,0,0,0|2,0,0]=4 16948 B13R1.528 CC(C#N)OCc1ccccc1Cl 7a_100000210847_100000703298 [0,2,0,0,0,0|2,0,0]=4 16949 B13R1.528 CC(C#N)OCc1ccccc1F 34a_100011218135_100000211605 [0,2,0,0,0,0|2,0,0]=4 16950 B13R1.528 CC(C#N)OCc1ccccc1F 7a_100000211962_100000703298 [0,2,0,0,0,0|2,0,0]=4 16951 B13R1.528 CC(C#N)OCc1ccccc1I 34a_100011218135_100011215278 [0,2,0,0,0,0|2,0,0]=4 16952 B13R1.528 CC(C#N)OCc1ccccc1I 7a_100000187465_100000703298 [0,2,0,0,0,0|2,0,0]=4 16953 B13R1.528 CC(C#N)SCc1ccccc1Br 62a_100000184730_100000703298 [0,2,0,0,0,0|2,0,0]=4 16954 B13R1.528 CC(C#N)SCc1ccccc1Br 62a_100000703298_100000184730 [0,2,0,0,0,0|2,0,0]=4 16955 B13R1.528 CC(C#N)SCc1ccccc1Cl 62a_100000187162_100000703298 [0,2,0,0,0,0|2,0,0]=4 16956 B13R1.528 CC(C#N)SCc1ccccc1Cl 62a_100000703298_100000187162 [0,2,0,0,0,0|2,0,0]=4 16957 B13R1.528 CC(C#N)SCc1ccccc1F 62a_100000211605_100000703298 [0,2,0,0,0,0|2,0,0]=4 16958 B13R1.528 CC(C#N)SCc1ccccc1F 62a_100000703298_100000211605 [0,2,0,0,0,0|2,0,0]=4 16959 B13R1.528 CC(C#N)SCc1ccccc1I 62a_100000703298_100011216222 [0,2,0,0,0,0|2,0,0]=4 16960 B13R1.528 CC(C#N)SCc1ccccc1I 62a_100011216222_100000703298 [0,2,0,0,0,0|2,0,0]=4 16961 B13R1.528 CC(CF)OCc1ccccc1Br 34a_100016041109_100000184730 [0,2,0,0,0,0|2,0,0]=4 16962 B13R1.528 CC(CF)OCc1ccccc1Br 7a_100016041109_100000184730 [0,2,0,0,0,0|2,0,0]=4 16963 B13R1.528 CC(CF)OCc1ccccc1Cl 34a_100016041109_100000187162 [0,2,0,0,0,0|2,0,0]=4 16964 B13R1.528 CC(CF)OCc1ccccc1Cl 7a_100016041109_100000187162 [0,2,0,0,0,0|2,0,0]=4 16965 B13R1.528 CC(CF)OCc1ccccc1F 34a_100016041109_100000211605 [0,2,0,0,0,0|2,0,0]=4 16966 B13R1.528 CC(CF)OCc1ccccc1F 7a_100016041109_100000211605 [0,2,0,0,0,0|2,0,0]=4 16967 B13R1.528 CC(CF)OCc1ccccc1I 34a_100016041109_100011215278 [0,2,0,0,0,0|2,0,0]=4 16968 B13R1.528 CC(CF)OCc1ccccc1I 7a_100016041109_100011215278 [0,2,0,0,0,0|2,0,0]=4 16969 B13R1.528 CC(CN)OCc1ccccc1Br 34a_100000210904_100000184730 [0,2,0,0,0,0|2,0,0]=4 16970 B13R1.528 CC(CN)OCc1ccccc1Cl 34a_100000210904_100000187162 [0,2,0,0,0,0|2,0,0]=4 16971 B13R1.528 CC(CN)OCc1ccccc1F 34a_100000210904_100000211605 [0,2,0,0,0,0|2,0,0]=4 16972 B13R1.528 CC(CN)OCc1ccccc1I 34a_100000210904_100011215278 [0,2,0,0,0,0|2,0,0]=4 16973 B13R1.528 CC(CO)CNc1ccncc1Br 27a_100000744482_100000726257 [0,2,0,0,0,0|2,0,0]=4 16974 B13R1.528 CC(CO)CNc1ccncc1F 27a_100000744482_100000035921 [0,2,0,0,0,0|2,0,0]=4 16975 B13R1.528 CC(CO)CNc1ncccc1Br 27a_100000744482_100000696092 [0,2,0,0,0,0|2,0,0]=4 16976 B13R1.528 CC(CO)NCc1ccccc1Br 2230a_100000689332_100012180447 [0,2,0,0,0,0|1,0,0]=3 16977 B13R1.528 CC(CO)NCc1ccccc1Br 34a_100000689332_100012180447 [0,2,0,0,0,0|1,0,0]=3 16978 B13R1.528 CC(CO)NCc1ccccc1Cl 2230a_100000174879_100012180447 [0,2,0,0,0,0|1,0,0]=3 16979 B13R1.528 CC(CO)NCc1ccccc1Cl 34a_100000174879_100012180447 [0,2,0,0,0,0|1,0,0]=3 16980 B13R1.528 CC(CO)NCc1ccccc1F 34a_100000174869_100012180447 [0,2,0,0,0,0|1,0,0]=3 16981 B13R1.528 CC(CO)NCc1ccccc1O 34a_100000185550_100012180447 [0,2,0,0,0,0|1,0,0]=3 16982 B13R1.528 CC(CO)NCc1cccnc1Br 2230a_100009818023_100012180447 [0,2,0,0,0,0|2,0,0]=4 16983 B13R1.528 CC(CO)NCc1cccnc1Br 34a_100009818023_100012180447 [0,2,0,0,0,0|2,0,0]=4 16984 B13R1.528 CC(CO)NCc1cccnc1Cl 2230a_100015189234_100012180447 [0,2,0,0,0,0|2,0,0]=4 16985 B13R1.528 CC(CO)NCc1cccnc1Cl 34a_100015189234_100012180447 [0,2,0,0,0,0|2,0,0]=4 16986 B13R1.528 CC(CO)NCc1cccnc1F 34a_100000724633_100012180447 [0,2,0,0,0,0|2,0,0]=4 16987 B13R1.528 CC(CO)NCc1ccncc1F 34a_100011935246_100012180447 [0,2,0,0,0,0|2,0,0]=4 16988 B13R1.528 CC(CO)NCc1ncccc1Cl 2230a_100015189233_100012180447 [0,2,0,0,0,0|2,0,0]=4 16989 B13R1.528 CC(CO)NCc1ncccc1F 34a_100000690088_100012180447 [0,2,0,0,0,0|2,0,0]=4 16990 B13R1.528 CC(CO)OCc1ccccc1Br 34a_100000756307_100012180447 [0,2,0,0,0,0|1,0,0]=3 16991 B13R1.528 CC(CO)OCc1ccccc1Br 7a_100000756307_100012180447 [0,2,0,0,0,0|1,0,0]=3 16992 B13R1.528 CC(CO)OCc1ccccc1Cl 34a_100000210847_100012180447 [0,2,0,0,0,0|1,0,0]=3 16993 B13R1.528 CC(CO)OCc1ccccc1Cl 7a_100000210847_100012180447 [0,2,0,0,0,0|1,0,0]=3 16994 B13R1.528 CC(CO)OCc1ccccc1F 34a_100000211962_100012180447 [0,2,0,0,0,0|1,0,0]=3 16995 B13R1.528 CC(CO)OCc1ccccc1F 7a_100000211962_100012180447 [0,2,0,0,0,0|1,0,0]=3 16996 B13R1.528 CC(CO)OCc1ccccc1I 34a_100000187465_100012180447 [0,2,0,0,0,0|1,0,0]=3 16997 B13R1.528 CC(CO)OCc1ccccc1I 7a_100000187465_100012180447 [0,2,0,0,0,0|1,0,0]=3 16998 B13R1.528 CC(CO)OCc1ccccc1N 34a_100000212039_100012180447 [0,2,0,0,0,0|1,0,0]=3 16999 B13R1.528 CC(CO)OCc1cccnc1Br 34a_100000719692_100012180447 [0,2,0,0,0,0|2,0,0]=4 17000 B13R1.528 CC(CO)OCc1cccnc1Br 7a_100000719692_100012180447 [0,2,0,0,0,0|2,0,0]=4 17001 B13R1.528 CC(CO)OCc1cccnc1Cl 34a_100000748726_100012180447 [0,2,0,0,0,0|2,0,0]=4 17002 B13R1.528 CC(CO)OCc1cccnc1Cl 7a_100000748726_100012180447 [0,2,0,0,0,0|2,0,0]=4 17003 B13R1.528 CC(CO)OCc1cccnc1F 34a_100000079888_100012180447 [0,2,0,0,0,0|2,0,0]=4 17004 B13R1.528 CC(CO)OCc1cccnc1F 7a_100000079888_100012180447 [0,2,0,0,0,0|2,0,0]=4 17005 B13R1.528 CC(CO)OCc1ccncc1F 34a_100012172863_100012180447 [0,2,0,0,0,0|2,0,0]=4 17006 B13R1.528 CC(CO)OCc1cnccc1Cl 34a_100000117392_100012180447 [0,2,0,0,0,0|2,0,0]=4 17007 B13R1.528 CC(CO)OCc1ncccc1Br 34a_100011996772_100012180447 [0,2,0,0,0,0|2,0,0]=4 17008 B13R1.528 CC(CO)OCc1ncccc1Cl 34a_100012002383_100012180447 [0,2,0,0,0,0|2,0,0]=4 17009 B13R1.528 CC(CO)OCc1ncccc1F 34a_100011934865_100012180447 [0,2,0,0,0,0|2,0,0]=4 17010 B13R1.528 CC(CO)OCc1ncccc1N 34a_114873767017_100012180447 [0,2,0,0,0,0|2,0,0]=4 17011 B13R1.528 CC(CO)SCc1ccccc1Br 62a_100012180447_100000184730 [0,2,0,0,0,0|1,0,0]=3 17012 B13R1.528 CC(CO)SCc1ccccc1Cl 62a_100012180447_100000187162 [0,2,0,0,0,0|1,0,0]=3 17013 B13R1.528 CC(CO)SCc1ccccc1F 62a_100012180447_100000211605 [0,2,0,0,0,0|1,0,0]=3 17014 B13R1.528 CC(CO)SCc1ccccc1I 62a_100012180447_100011216222 [0,2,0,0,0,0|1,0,0]=3 17015 B13R1.528 CC(CO)SCc1cccnc1Br 62a_100012180447_100010140945 [0,2,0,0,0,0|2,0,0]=4 17016 B13R1.528 CC(CO)SCc1cccnc1Cl 62a_100012180447_100000045678 [0,2,0,0,0,0|2,0,0]=4 17017 B13R1.528 CC(CO)SCc1cccnc1F 62a_100012180447_100000099810 [0,2,0,0,0,0|2,0,0]=4 17018 B13R1.528 CC(CO)SCc1ccncc1Cl 62a_100012180447_100000763264 [0,2,0,0,0,0|2,0,0]=4 17019 B13R1.528 CC(CO)SCc1ncccc1Br 62a_100012180447_100025702911 [0,2,0,0,0,0|2,0,0]=4 17020 B13R1.528 CC(CO)SCc1ncccc1Cl 62a_100012180447_100000099807 [0,2,0,0,0,0|2,0,0]=4 17021 B13R1.528 CC(CO)SCc1ncccc1F 62a_100012180447_100000104219 [0,2,0,0,0,0|2,0,0]=4 17022 B13R1.528 CC(CO)SCc1ncccc1O 62a_100012180447_200020655725 [0,2,0,0,0,0|2,0,0]=4 17023 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [0,2,0,0,0,0|0,0,2]=4 17024 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [0,2,0,0,0,0|0,0,2]=4 17025 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [0,2,0,0,0,0|0,0,2]=4 17026 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [0,2,0,0,0,0|0,0,2]=4 17027 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [0,2,0,0,0,0|0,0,2]=4 17028 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [0,2,0,0,0,0|0,0,2]=4 17029 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [0,2,0,0,0,0|0,0,2]=4 17030 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [0,2,0,0,0,0|0,0,2]=4 17031 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [0,2,0,0,0,0|0,0,2]=4 17032 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,2,0,0,0,0|0,0,2]=4 17033 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,2,0,0,0,0|0,0,2]=4 17034 B13R1.528 CCC(C)CNc1ccccc1Br 34a_100000210017_100000748023 [0,2,0,0,0,0|2,0,0]=4 17035 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [0,2,0,0,0,0|2,0,0]=4 17036 B13R1.528 CCC(C)CNc1ccccc1Cl 34a_100000185783_100000748023 [0,2,0,0,0,0|2,0,0]=4 17037 B13R1.528 CCC(C)CNc1ccccc1F 34a_100000210422_100000748023 [0,2,0,0,0,0|2,0,0]=4 17038 B13R1.528 CCC(C)CNc1ccccc1I 34a_100000210053_100000748023 [0,2,0,0,0,0|2,0,0]=4 17039 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 17040 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [0,2,0,0,0,0|2,0,0]=4 17041 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [0,2,0,0,0,0|2,0,0]=4 17042 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [0,2,0,0,0,0|2,0,0]=4 17043 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [0,2,0,0,0,0|2,0,0]=4 17044 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [0,2,0,0,0,0|2,0,0]=4 17045 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [0,2,0,0,0,0|2,0,0]=4 17046 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [0,2,0,0,0,0|2,0,0]=4 17047 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [0,2,0,0,0,0|2,0,0]=4 17048 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 17049 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 17050 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 17051 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 17052 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000695589_100000748023 [0,2,0,0,0,0|2,0,0]=4 17053 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000748023_100000695589 [0,2,0,0,0,0|2,0,0]=4 17054 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [0,2,0,0,0,0|2,0,0]=4 17055 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [0,2,0,0,0,0|2,0,0]=4 17056 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000748023_100000764095 [0,2,0,0,0,0|2,0,0]=4 17057 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000764095_100000748023 [0,2,0,0,0,0|2,0,0]=4 17058 B13R1.528 CCC(C)CSc1ccccc1F 62a_100000748023_100011215700 [0,2,0,0,0,0|2,0,0]=4 17059 B13R1.528 CCC(C)CSc1ccccc1F 62a_100011215700_100000748023 [0,2,0,0,0,0|2,0,0]=4 17060 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000210017_100000748023 [0,2,0,0,0,0|2,0,0]=4 17061 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000748023_100000210017 [0,2,0,0,0,0|2,0,0]=4 17062 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 17063 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000748023_100000739446 [0,2,0,0,0,0|2,0,0]=4 17064 B13R1.528 CCC(C)NCc1ccccc1Br 207a_100000209981_100000211189 [0,2,0,0,0,0|2,0,0]=4 17065 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000209981_100000184730 [0,2,0,0,0,0|2,0,0]=4 17066 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000689332_100000758301 [0,2,0,0,0,0|2,0,0]=4 17067 B13R1.528 CCC(C)NCc1ccccc1Br 270004a_100000209981_100000211189 [0,2,0,0,0,0|2,0,0]=4 17068 B13R1.528 CCC(C)NCc1ccccc1Br 34a_100000689332_100011215416 [0,2,0,0,0,0|2,0,0]=4 17069 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,2,0,0,0,0|2,0,0]=4 17070 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,2,0,0,0,0|2,0,0]=4 17071 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,2,0,0,0,0|2,0,0]=4 17072 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,2,0,0,0,0|2,0,0]=4 17073 B13R1.528 CCC(C)NCc1ccccc1Cl 207a_100000209981_100000210073 [0,2,0,0,0,0|2,0,0]=4 17074 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000174879_100000758301 [0,2,0,0,0,0|2,0,0]=4 17075 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000209981_100000187162 [0,2,0,0,0,0|2,0,0]=4 17076 B13R1.528 CCC(C)NCc1ccccc1Cl 270004a_100000209981_100000210073 [0,2,0,0,0,0|2,0,0]=4 17077 B13R1.528 CCC(C)NCc1ccccc1Cl 34a_100000174879_100011215416 [0,2,0,0,0,0|2,0,0]=4 17078 B13R1.528 CCC(C)NCc1ccccc1F 207a_100000209981_100000210811 [0,2,0,0,0,0|2,0,0]=4 17079 B13R1.528 CCC(C)NCc1ccccc1F 2230a_100000209981_100000211605 [0,2,0,0,0,0|2,0,0]=4 17080 B13R1.528 CCC(C)NCc1ccccc1F 270004a_100000209981_100000210811 [0,2,0,0,0,0|2,0,0]=4 17081 B13R1.528 CCC(C)NCc1ccccc1F 34a_100000174869_100011215416 [0,2,0,0,0,0|2,0,0]=4 17082 B13R1.528 CCC(C)NCc1ccccc1I 207a_100000209981_100000010305 [0,2,0,0,0,0|2,0,0]=4 17083 B13R1.528 CCC(C)NCc1ccccc1I 2230a_100000209981_100011215278 [0,2,0,0,0,0|2,0,0]=4 17084 B13R1.528 CCC(C)NCc1ccccc1I 270004a_100000209981_100000010305 [0,2,0,0,0,0|2,0,0]=4 17085 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,2,0,0,0,0|2,0,0]=4 17086 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,2,0,0,0,0|2,0,0]=4 17087 B13R1.528 CCC(C)OCc1ccccc1Br 34a_100000756307_100011215416 [0,2,0,0,0,0|2,0,0]=4 17088 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000210228_100000184730 [0,2,0,0,0,0|2,0,0]=4 17089 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000756307_100000758301 [0,2,0,0,0,0|2,0,0]=4 17090 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,2,0,0,0,0|2,0,0]=4 17091 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,2,0,0,0,0|2,0,0]=4 17092 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,2,0,0,0,0|2,0,0]=4 17093 B13R1.528 CCC(C)OCc1ccccc1Cl 34a_100000210847_100011215416 [0,2,0,0,0,0|2,0,0]=4 17094 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210228_100000187162 [0,2,0,0,0,0|2,0,0]=4 17095 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210847_100000758301 [0,2,0,0,0,0|2,0,0]=4 17096 B13R1.528 CCC(C)OCc1ccccc1F 34a_100000211962_100011215416 [0,2,0,0,0,0|2,0,0]=4 17097 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000210228_100000211605 [0,2,0,0,0,0|2,0,0]=4 17098 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000211962_100000758301 [0,2,0,0,0,0|2,0,0]=4 17099 B13R1.528 CCC(C)OCc1ccccc1I 34a_100000187465_100011215416 [0,2,0,0,0,0|2,0,0]=4 17100 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000187465_100000758301 [0,2,0,0,0,0|2,0,0]=4 17101 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000210228_100011215278 [0,2,0,0,0,0|2,0,0]=4 17102 B13R1.528 CCC(C)OCc1ccccc1N 34a_100000212039_100011215416 [0,2,0,0,0,0|2,0,0]=4 17103 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000184730_100000758301 [0,2,0,0,0,0|2,0,0]=4 17104 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000758301_100000184730 [0,2,0,0,0,0|2,0,0]=4 17105 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,2,0,0,0,0|2,0,0]=4 17106 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,2,0,0,0,0|2,0,0]=4 17107 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000187162_100000758301 [0,2,0,0,0,0|2,0,0]=4 17108 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000758301_100000187162 [0,2,0,0,0,0|2,0,0]=4 17109 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000211605_100000758301 [0,2,0,0,0,0|2,0,0]=4 17110 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000758301_100000211605 [0,2,0,0,0,0|2,0,0]=4 17111 B13R1.528 CCC(C)SCc1ccccc1I 62a_100000758301_100011216222 [0,2,0,0,0,0|2,0,0]=4 17112 B13R1.528 CCC(C)SCc1ccccc1I 62a_100011216222_100000758301 [0,2,0,0,0,0|2,0,0]=4 17113 B13R1.528 CCC(O)CNc1ccccc1Br 34a_100000210017_100011218378 [0,2,0,0,0,0|1,0,0]=3 17114 B13R1.528 CCC(O)CNc1ccccc1C 34a_100015192222_100011218378 [0,2,0,0,0,0|1,0,0]=3 17115 B13R1.528 CCC(O)CNc1ccccc1Cl 34a_100000185783_100011218378 [0,2,0,0,0,0|1,0,0]=3 17116 B13R1.528 CCC(O)CNc1ccccc1F 34a_100000210422_100011218378 [0,2,0,0,0,0|1,0,0]=3 17117 B13R1.528 CCC(O)CNc1ccccc1I 34a_100000210053_100011218378 [0,2,0,0,0,0|1,0,0]=3 17118 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [0,2,0,0,0,0|1,0,0]=3 17119 B13R1.528 CCC(O)CNc1ccncc1Br 27a_100011218483_100000726257 [0,2,0,0,0,0|2,0,0]=4 17120 B13R1.528 CCC(O)CNc1ccncc1C 27a_100011218483_100000765111 [0,2,0,0,0,0|2,0,0]=4 17121 B13R1.528 CCC(O)CNc1ccncc1F 27a_100011218483_100000035921 [0,2,0,0,0,0|2,0,0]=4 17122 B13R1.528 CCC(O)CNc1ncccc1Br 27a_100011218483_100000696092 [0,2,0,0,0,0|2,0,0]=4 17123 B13R1.528 CCC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218378 [0,2,0,0,0,0|2,0,0]=4 17124 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [0,2,0,0,0,0|1,0,0]=3 17125 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [0,2,0,0,0,0|1,0,0]=3 17126 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [0,2,0,0,0,0|1,0,0]=3 17127 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [0,2,0,0,0,0|1,0,0]=3 17128 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [0,2,0,0,0,0|1,0,0]=3 17129 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [0,2,0,0,0,0|1,0,0]=3 17130 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [0,2,0,0,0,0|1,0,0]=3 17131 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [0,2,0,0,0,0|1,0,0]=3 17132 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [0,2,0,0,0,0|1,0,0]=3 17133 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [0,2,0,0,0,0|1,0,0]=3 17134 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [0,2,0,0,0,0|1,0,0]=3 17135 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [0,2,0,0,0,0|1,0,0]=3 17136 B13R1.528 CCC(O)COc1cccnc1Br 34a_100000744436_100011218378 [0,2,0,0,0,0|2,0,0]=4 17137 B13R1.528 CCC(O)COc1cccnc1Br 7a_100000744436_100011218378 [0,2,0,0,0,0|2,0,0]=4 17138 B13R1.528 CCC(O)COc1cccnc1C 34a_100000745507_100011218378 [0,2,0,0,0,0|2,0,0]=4 17139 B13R1.528 CCC(O)COc1cccnc1C 7a_100000745507_100011218378 [0,2,0,0,0,0|2,0,0]=4 17140 B13R1.528 CCC(O)COc1cccnc1Cl 34a_100000757616_100011218378 [0,2,0,0,0,0|2,0,0]=4 17141 B13R1.528 CCC(O)COc1cccnc1Cl 7a_100000757616_100011218378 [0,2,0,0,0,0|2,0,0]=4 17142 B13R1.528 CCC(O)COc1cccnc1F 34a_100000061740_100011218378 [0,2,0,0,0,0|2,0,0]=4 17143 B13R1.528 CCC(O)COc1cccnc1F 7a_100000061740_100011218378 [0,2,0,0,0,0|2,0,0]=4 17144 B13R1.528 CCC(O)COc1cccnc1I 34a_100000034122_100011218378 [0,2,0,0,0,0|2,0,0]=4 17145 B13R1.528 CCC(O)COc1cccnc1I 7a_100000034122_100011218378 [0,2,0,0,0,0|2,0,0]=4 17146 B13R1.528 CCC(O)COc1cccnc1N 34a_100000211975_100011218378 [0,2,0,0,0,0|2,0,0]=4 17147 B13R1.528 CCC(O)COc1cccnc1N 7a_100000211975_100011218378 [0,2,0,0,0,0|2,0,0]=4 17148 B13R1.528 CCC(O)COc1cccoc1=O 34a_100000077404_100011218378 [0,2,0,0,0,0|2,0,0]=4 17149 B13R1.528 CCC(O)COc1cccoc1=O 7a_100000077404_100011218378 [0,2,0,0,0,0|2,0,0]=4 17150 B13R1.528 CCC(O)COc1ccncc1Br 34a_100011996408_100011218378 [0,2,0,0,0,0|2,0,0]=4 17151 B13R1.528 CCC(O)COc1ccncc1C 34a_100000694293_100011218378 [0,2,0,0,0,0|2,0,0]=4 17152 B13R1.528 CCC(O)COc1ccncc1Cl 34a_100011997054_100011218378 [0,2,0,0,0,0|2,0,0]=4 17153 B13R1.528 CCC(O)COc1ccncc1F 34a_200000081243_100011218378 [0,2,0,0,0,0|2,0,0]=4 17154 B13R1.528 CCC(O)COc1cnccc1C 34a_100011997053_100011218378 [0,2,0,0,0,0|2,0,0]=4 17155 B13R1.528 CCC(O)COc1cnccc1C 7a_100011997053_100011218378 [0,2,0,0,0,0|2,0,0]=4 17156 B13R1.528 CCC(O)COc1cnccc1Cl 34a_100011996695_100011218378 [0,2,0,0,0,0|2,0,0]=4 17157 B13R1.528 CCC(O)COc1cnccc1I 34a_100000050107_100011218378 [0,2,0,0,0,0|2,0,0]=4 17158 B13R1.528 CCC(O)COc1cnccc1N 34a_100000753702_100011218378 [0,2,0,0,0,0|2,0,0]=4 17159 B13R1.528 CCC(O)COc1coccc1=O 34a_100000060831_100011218378 [0,2,0,0,0,0|2,0,0]=4 17160 B13R1.528 CCC(O)COc1ncccc1Cl 34a_100011290957_100011218378 [0,2,0,0,0,0|2,0,0]=4 17161 B13R1.528 CCC(O)COc1ncccc1F 34a_100011219419_100011218378 [0,2,0,0,0,0|2,0,0]=4 17162 B13R1.528 CCC(O)COc1ncccc1N 34a_100000746358_100011218378 [0,2,0,0,0,0|2,0,0]=4 17163 B13R1.528 CCC(O)CSc1c[nH]ccc1=O 62a_100009998708_100011218378 [0,2,0,0,0,0|2,0,0]=4 17164 B13R1.528 CCC(O)CSc1c[nH]ccc1=O 62a_100011218378_100009998708 [0,2,0,0,0,0|2,0,0]=4 17165 B13R1.528 CCC(O)CSc1c[nH]ccc1=S 62a_100011218378_200012280681 [0,2,0,0,0,0|2,0,0]=4 17166 B13R1.528 CCC(O)CSc1c[nH]ccc1=S 62a_200012280681_100011218378 [0,2,0,0,0,0|2,0,0]=4 17167 B13R1.528 CCC(O)CSc1cccc[n+]1C 62a_100011218378_100000212160 [0,2,0,0,0,0|2,0,0]=4 17168 B13R1.528 CCC(O)CSc1cccc[n+]1[O-] 62a_100011218378_200000042595 [0,2,0,0,0,0|2,0,0]=4 17169 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100000695589_100011218378 [0,2,0,0,0,0|1,0,0]=3 17170 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100011218378_100000695589 [0,2,0,0,0,0|1,0,0]=3 17171 B13R1.528 CCC(O)CSc1ccccc1C 62a_100000210755_100011218378 [0,2,0,0,0,0|1,0,0]=3 17172 B13R1.528 CCC(O)CSc1ccccc1C 62a_100011218378_100000210755 [0,2,0,0,0,0|1,0,0]=3 17173 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100000764095_100011218378 [0,2,0,0,0,0|1,0,0]=3 17174 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100011218378_100000764095 [0,2,0,0,0,0|1,0,0]=3 17175 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011215700_100011218378 [0,2,0,0,0,0|1,0,0]=3 17176 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011218378_100011215700 [0,2,0,0,0,0|1,0,0]=3 17177 B13R1.528 CCC(O)CSc1ccccc1N 62a_100000210017_100011218378 [0,2,0,0,0,0|1,0,0]=3 17178 B13R1.528 CCC(O)CSc1ccccc1N 62a_100011218378_100000210017 [0,2,0,0,0,0|1,0,0]=3 17179 B13R1.528 CCC(O)CSc1ccccc1O 62a_100000739446_100011218378 [0,2,0,0,0,0|1,0,0]=3 17180 B13R1.528 CCC(O)CSc1ccccc1O 62a_100011218378_100000739446 [0,2,0,0,0,0|1,0,0]=3 17181 B13R1.528 CCC(O)CSc1cccnc1Br 62a_100010202626_100011218378 [0,2,0,0,0,0|2,0,0]=4 17182 B13R1.528 CCC(O)CSc1cccnc1Br 62a_100011218378_100010202626 [0,2,0,0,0,0|2,0,0]=4 17183 B13R1.528 CCC(O)CSc1cccnc1C 62a_100000751574_100011218378 [0,2,0,0,0,0|2,0,0]=4 17184 B13R1.528 CCC(O)CSc1cccnc1C 62a_100011218378_100000751574 [0,2,0,0,0,0|2,0,0]=4 17185 B13R1.528 CCC(O)CSc1cccnc1Cl 62a_100000036424_100011218378 [0,2,0,0,0,0|2,0,0]=4 17186 B13R1.528 CCC(O)CSc1cccnc1Cl 62a_100011218378_100000036424 [0,2,0,0,0,0|2,0,0]=4 17187 B13R1.528 CCC(O)CSc1cccnc1F 62a_100009816115_100011218378 [0,2,0,0,0,0|2,0,0]=4 17188 B13R1.528 CCC(O)CSc1cccnc1F 62a_100011218378_100009816115 [0,2,0,0,0,0|2,0,0]=4 17189 B13R1.528 CCC(O)CSc1cccnc1N 62a_100000045569_100011218378 [0,2,0,0,0,0|2,0,0]=4 17190 B13R1.528 CCC(O)CSc1cccnc1N 62a_100011218378_100000045569 [0,2,0,0,0,0|2,0,0]=4 17191 B13R1.528 CCC(O)CSc1cccnc1O 62a_100000760158_100011218378 [0,2,0,0,0,0|2,0,0]=4 17192 B13R1.528 CCC(O)CSc1cccnc1O 62a_100011218378_100000760158 [0,2,0,0,0,0|2,0,0]=4 17193 B13R1.528 CCC(O)CSc1ccncc1Br 62a_100000726257_100011218378 [0,2,0,0,0,0|2,0,0]=4 17194 B13R1.528 CCC(O)CSc1ccncc1Br 62a_100011218378_100000726257 [0,2,0,0,0,0|2,0,0]=4 17195 B13R1.528 CCC(O)CSc1ccncc1C 62a_100000765111_100011218378 [0,2,0,0,0,0|2,0,0]=4 17196 B13R1.528 CCC(O)CSc1ccncc1C 62a_100011218378_100000765111 [0,2,0,0,0,0|2,0,0]=4 17197 B13R1.528 CCC(O)CSc1ccncc1Cl 62a_100000708259_100011218378 [0,2,0,0,0,0|2,0,0]=4 17198 B13R1.528 CCC(O)CSc1ccncc1Cl 62a_100011218378_100000708259 [0,2,0,0,0,0|2,0,0]=4 17199 B13R1.528 CCC(O)CSc1ccncc1F 62a_100000047030_100011218378 [0,2,0,0,0,0|2,0,0]=4 17200 B13R1.528 CCC(O)CSc1ccncc1F 62a_100011218378_100000047030 [0,2,0,0,0,0|2,0,0]=4 17201 B13R1.528 CCC(O)CSc1ccncc1N 62a_100000756074_100011218378 [0,2,0,0,0,0|2,0,0]=4 17202 B13R1.528 CCC(O)CSc1ccncc1N 62a_100011218378_100000756074 [0,2,0,0,0,0|2,0,0]=4 17203 B13R1.528 CCC(O)CSc1ccncc1O 62a_100009817591_100011218378 [0,2,0,0,0,0|2,0,0]=4 17204 B13R1.528 CCC(O)CSc1ccncc1O 62a_100011218378_100009817591 [0,2,0,0,0,0|2,0,0]=4 17205 B13R1.528 CCC(O)CSc1cnccc1Br 62a_100010138639_100011218378 [0,2,0,0,0,0|2,0,0]=4 17206 B13R1.528 CCC(O)CSc1cnccc1Br 62a_100011218378_100010138639 [0,2,0,0,0,0|2,0,0]=4 17207 B13R1.528 CCC(O)CSc1cnccc1C 62a_100000761580_100011218378 [0,2,0,0,0,0|2,0,0]=4 17208 B13R1.528 CCC(O)CSc1cnccc1C 62a_100011218378_100000761580 [0,2,0,0,0,0|2,0,0]=4 17209 B13R1.528 CCC(O)CSc1cnccc1Cl 62a_100009995489_100011218378 [0,2,0,0,0,0|2,0,0]=4 17210 B13R1.528 CCC(O)CSc1cnccc1Cl 62a_100011218378_100009995489 [0,2,0,0,0,0|2,0,0]=4 17211 B13R1.528 CCC(O)CSc1cnccc1F 62a_100009820683_100011218378 [0,2,0,0,0,0|2,0,0]=4 17212 B13R1.528 CCC(O)CSc1cnccc1F 62a_100011218378_100009820683 [0,2,0,0,0,0|2,0,0]=4 17213 B13R1.528 CCC(O)CSc1cnccc1N 62a_100000047001_100011218378 [0,2,0,0,0,0|2,0,0]=4 17214 B13R1.528 CCC(O)CSc1cnccc1N 62a_100011218378_100000047001 [0,2,0,0,0,0|2,0,0]=4 17215 B13R1.528 CCC(O)CSc1ncccc1Br 62a_100000696092_100011218378 [0,2,0,0,0,0|2,0,0]=4 17216 B13R1.528 CCC(O)CSc1ncccc1Br 62a_100011218378_100000696092 [0,2,0,0,0,0|2,0,0]=4 17217 B13R1.528 CCC(O)CSc1ncccc1C 62a_100000751373_100011218378 [0,2,0,0,0,0|2,0,0]=4 17218 B13R1.528 CCC(O)CSc1ncccc1C 62a_100011218378_100000751373 [0,2,0,0,0,0|2,0,0]=4 17219 B13R1.528 CCC(O)CSc1ncccc1Cl 62a_100011218378_100011356963 [0,2,0,0,0,0|2,0,0]=4 17220 B13R1.528 CCC(O)CSc1ncccc1Cl 62a_100011356963_100011218378 [0,2,0,0,0,0|2,0,0]=4 17221 B13R1.528 CCC(O)CSc1ncccc1F 62a_100000685392_100011218378 [0,2,0,0,0,0|2,0,0]=4 17222 B13R1.528 CCC(O)CSc1ncccc1F 62a_100011218378_100000685392 [0,2,0,0,0,0|2,0,0]=4 17223 B13R1.528 CCC(O)CSc1ncccc1N 62a_100000688686_100011218378 [0,2,0,0,0,0|2,0,0]=4 17224 B13R1.528 CCC(O)CSc1ncccc1N 62a_100011218378_100000688686 [0,2,0,0,0,0|2,0,0]=4 17225 B13R1.528 CCC(O)CSc1ncccc1O 62a_100000034122_100011218378 [0,2,0,0,0,0|2,0,0]=4 17226 B13R1.528 CCC(O)CSc1ncccc1O 62a_100011218378_100000034122 [0,2,0,0,0,0|2,0,0]=4 17227 B13R1.528 CCN(C)CCc1ccccc1Br 2230a_100000225621_100012161201 [0,2,0,0,0,0|2,0,0]=4 17228 B13R1.528 CCN(C)CCc1ccccc1Br 269982a_100000225621_100012161201 [0,2,0,0,0,0|2,0,0]=4 17229 B13R1.528 CCN(C)CCc1ccccc1C 2230a_100000225621_100011713688 [0,2,0,0,0,0|2,0,0]=4 17230 B13R1.528 CCN(C)CCc1ccccc1C 269982a_100000225621_100011713688 [0,2,0,0,0,0|2,0,0]=4 17231 B13R1.528 CCN(C)CCc1ccccc1Cl 2230a_100000225621_100011713703 [0,2,0,0,0,0|2,0,0]=4 17232 B13R1.528 CCN(C)CCc1ccccc1Cl 269982a_100000225621_100011713703 [0,2,0,0,0,0|2,0,0]=4 17233 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000225621_100011713696 [0,2,0,0,0,0|2,0,0]=4 17234 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000232559_100000210202 [0,2,0,0,0,0|2,0,0]=4 17235 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000225621_100011713696 [0,2,0,0,0,0|2,0,0]=4 17236 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000232559_100000204670 [0,2,0,0,0,0|2,0,0]=4 17237 B13R1.528 CCN(C)CCc1ccccc1F 34a_100000232559_100000210202 [0,2,0,0,0,0|2,0,0]=4 17238 B13R1.528 CCN(C)CCc1ccccc1O 269982a_100000225621_100000722297 [0,2,0,0,0,0|2,0,0]=4 17239 B13R1.528 CC[C@H](C)CNc1ccccc1Br 34a_100000210017_100009816398 [0,2,0,0,0,0|2,0,0]=4 17240 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [0,2,0,0,0,0|2,0,0]=4 17241 B13R1.528 CC[C@H](C)CNc1ccccc1Cl 34a_100000185783_100009816398 [0,2,0,0,0,0|2,0,0]=4 17242 B13R1.528 CC[C@H](C)CNc1ccccc1F 34a_100000210422_100009816398 [0,2,0,0,0,0|2,0,0]=4 17243 B13R1.528 CC[C@H](C)CNc1ccccc1I 34a_100000210053_100009816398 [0,2,0,0,0,0|2,0,0]=4 17244 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 17245 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [0,2,0,0,0,0|2,0,0]=4 17246 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [0,2,0,0,0,0|2,0,0]=4 17247 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [0,2,0,0,0,0|2,0,0]=4 17248 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [0,2,0,0,0,0|2,0,0]=4 17249 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [0,2,0,0,0,0|2,0,0]=4 17250 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [0,2,0,0,0,0|2,0,0]=4 17251 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [0,2,0,0,0,0|2,0,0]=4 17252 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [0,2,0,0,0,0|2,0,0]=4 17253 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 17254 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 17255 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 17256 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 17257 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100000695589_100009816398 [0,2,0,0,0,0|2,0,0]=4 17258 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100009816398_100000695589 [0,2,0,0,0,0|2,0,0]=4 17259 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [0,2,0,0,0,0|2,0,0]=4 17260 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [0,2,0,0,0,0|2,0,0]=4 17261 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100000764095_100009816398 [0,2,0,0,0,0|2,0,0]=4 17262 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100009816398_100000764095 [0,2,0,0,0,0|2,0,0]=4 17263 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100009816398_100011215700 [0,2,0,0,0,0|2,0,0]=4 17264 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100011215700_100009816398 [0,2,0,0,0,0|2,0,0]=4 17265 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100000210017_100009816398 [0,2,0,0,0,0|2,0,0]=4 17266 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100009816398_100000210017 [0,2,0,0,0,0|2,0,0]=4 17267 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 17268 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100009816398_100000739446 [0,2,0,0,0,0|2,0,0]=4 17269 B13R1.528 CN(CF)CCc1ccccc1F 269982a_100000232559_100015361967 [0,2,0,0,0,0|2,0,0]=4 17270 B13R1.528 CN(CF)CCc1ccccc1F 34a_100000232559_100015361967 [0,2,0,0,0,0|2,0,0]=4 17271 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,2,0,0,0,0|0,0,2]=4 17272 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,2,0,0,0,0|0,0,2]=4 17273 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,2,0,0,0,0|0,0,2]=4 17274 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,2,0,0,0,0|0,0,2]=4 17275 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,2,0,0,0,0|0,0,2]=4 17276 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,2,0,0,0,0|0,0,2]=4 17277 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,2,0,0,0,0|0,0,2]=4 17278 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,2,0,0,0,0|0,0,2]=4 17279 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,2,0,0,0,0|0,0,2]=4 17280 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,2,0,0,0,0|0,0,2]=4 17281 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,2,0,0,0,0|0,0,2]=4 17282 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,2,0,0,0,0|0,0,2]=4 17283 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,2,0,0,0,0|0,0,2]=4 17284 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,2,0,0,0,0|0,0,2]=4 17285 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,2,0,0,0,0|0,0,2]=4 17286 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,2,0,0,0,0|0,0,2]=4 17287 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,2,0,0,0,0|0,0,2]=4 17288 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,2,0,0,0,0|0,0,2]=4 17289 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,2,0,0,0,0|0,0,2]=4 17290 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,2,0,0,0,0|0,0,2]=4 17291 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,2,0,0,0,0|0,0,2]=4 17292 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,2,0,0,0,0|0,0,2]=4 17293 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,2,0,0,0,0|0,0,2]=4 17294 B13R1.528 CNC(C)COc1ccccc1C 2230a_100000744241_200000210301 [0,2,0,0,0,0|2,0,0]=4 17295 B13R1.528 CNC(C)COc1ccccc1C 34a_100000744241_200000210301 [0,2,0,0,0,0|2,0,0]=4 17296 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,2,0,0,0,0|0,0,2]=4 17297 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [0,2,0,0,0,0|1,0,0]=3 17298 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [0,2,0,0,0,0|1,0,0]=3 17299 B13R1.528 COC(C)SCc1ccccc1Br 62a_100000184730_100009879195 [0,2,0,0,0,0|1,0,0]=3 17300 B13R1.528 COC(C)SCc1ccccc1Br 62a_100009879195_100000184730 [0,2,0,0,0,0|1,0,0]=3 17301 B13R1.528 COC(C)SCc1ccccc1C 62a_100000211839_100009879195 [0,2,0,0,0,0|1,0,0]=3 17302 B13R1.528 COC(C)SCc1ccccc1C 62a_100009879195_100000211839 [0,2,0,0,0,0|1,0,0]=3 17303 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100000187162_100009879195 [0,2,0,0,0,0|1,0,0]=3 17304 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100009879195_100000187162 [0,2,0,0,0,0|1,0,0]=3 17305 B13R1.528 COC(C)SCc1ccccc1F 62a_100000211605_100009879195 [0,2,0,0,0,0|1,0,0]=3 17306 B13R1.528 COC(C)SCc1ccccc1F 62a_100009879195_100000211605 [0,2,0,0,0,0|1,0,0]=3 17307 B13R1.528 COC(C)SCc1ccccc1I 62a_100009879195_100011216222 [0,2,0,0,0,0|1,0,0]=3 17308 B13R1.528 COC(C)SCc1ccccc1I 62a_100011216222_100009879195 [0,2,0,0,0,0|1,0,0]=3 17309 B13R1.528 COC(C)SCc1cccnc1Br 62a_100009879195_100010140945 [0,2,0,0,0,0|2,0,0]=4 17310 B13R1.528 COC(C)SCc1cccnc1Br 62a_100010140945_100009879195 [0,2,0,0,0,0|2,0,0]=4 17311 B13R1.528 COC(C)SCc1cccnc1C 62a_100000732876_100009879195 [0,2,0,0,0,0|2,0,0]=4 17312 B13R1.528 COC(C)SCc1cccnc1C 62a_100009879195_100000732876 [0,2,0,0,0,0|2,0,0]=4 17313 B13R1.528 COC(C)SCc1cccnc1Cl 62a_100000045678_100009879195 [0,2,0,0,0,0|2,0,0]=4 17314 B13R1.528 COC(C)SCc1cccnc1Cl 62a_100009879195_100000045678 [0,2,0,0,0,0|2,0,0]=4 17315 B13R1.528 COC(C)SCc1cccnc1F 62a_100000099810_100009879195 [0,2,0,0,0,0|2,0,0]=4 17316 B13R1.528 COC(C)SCc1cccnc1F 62a_100009879195_100000099810 [0,2,0,0,0,0|2,0,0]=4 17317 B13R1.528 COC(C)SCc1ccncc1C 62a_100009879195_100020672808 [0,2,0,0,0,0|2,0,0]=4 17318 B13R1.528 COC(C)SCc1ccncc1C 62a_100020672808_100009879195 [0,2,0,0,0,0|2,0,0]=4 17319 B13R1.528 COC(C)SCc1ccncc1Cl 62a_100000763264_100009879195 [0,2,0,0,0,0|2,0,0]=4 17320 B13R1.528 COC(C)SCc1ccncc1Cl 62a_100009879195_100000763264 [0,2,0,0,0,0|2,0,0]=4 17321 B13R1.528 COC(C)SCc1cnccc1C 62a_100000690890_100009879195 [0,2,0,0,0,0|2,0,0]=4 17322 B13R1.528 COC(C)SCc1cnccc1C 62a_100009879195_100000690890 [0,2,0,0,0,0|2,0,0]=4 17323 B13R1.528 COC(C)SCc1ncccc1Br 62a_100009879195_100025702911 [0,2,0,0,0,0|2,0,0]=4 17324 B13R1.528 COC(C)SCc1ncccc1Br 62a_100025702911_100009879195 [0,2,0,0,0,0|2,0,0]=4 17325 B13R1.528 COC(C)SCc1ncccc1C 62a_100000696600_100009879195 [0,2,0,0,0,0|2,0,0]=4 17326 B13R1.528 COC(C)SCc1ncccc1C 62a_100009879195_100000696600 [0,2,0,0,0,0|2,0,0]=4 17327 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100000099807_100009879195 [0,2,0,0,0,0|2,0,0]=4 17328 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100009879195_100000099807 [0,2,0,0,0,0|2,0,0]=4 17329 B13R1.528 COC(C)SCc1ncccc1F 62a_100000104219_100009879195 [0,2,0,0,0,0|2,0,0]=4 17330 B13R1.528 COC(C)SCc1ncccc1F 62a_100009879195_100000104219 [0,2,0,0,0,0|2,0,0]=4 17331 B13R1.528 COC(C)SCc1ncccc1O 62a_100009879195_200020655725 [0,2,0,0,0,0|2,0,0]=4 17332 B13R1.528 COC(C)SCc1ncccc1O 62a_200020655725_100009879195 [0,2,0,0,0,0|2,0,0]=4 17333 B13R1.528 CO[C@H](C)CNc1ccncc1Br 27a_100020591295_100000726257 [0,2,0,0,0,0|2,0,0]=4 17334 B13R1.528 CO[C@H](C)CNc1ccncc1C 27a_100020591295_100000765111 [0,2,0,0,0,0|2,0,0]=4 17335 B13R1.528 CO[C@H](C)CNc1ccncc1F 27a_100020591295_100000035921 [0,2,0,0,0,0|2,0,0]=4 17336 B13R1.528 CO[C@H](C)CNc1ncccc1Br 27a_100020591295_100000696092 [0,2,0,0,0,0|2,0,0]=4 17337 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 34a_100000210017_100000059175 [0,2,0,0,0,0|1,0,0]=3 17338 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [0,2,0,0,0,0|1,0,0]=3 17339 B13R1.528 C[C@@H](CO)CNc1ccccc1F 34a_100000210422_100000059175 [0,2,0,0,0,0|1,0,0]=3 17340 B13R1.528 C[C@@H](CO)CNc1ccccc1I 34a_100000210053_100000059175 [0,2,0,0,0,0|1,0,0]=3 17341 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [0,2,0,0,0,0|1,0,0]=3 17342 B13R1.528 C[C@@H](CO)COc1cccc[n+]1[O-] 7a_100000211761_100000059175 [0,2,0,0,0,0|2,0,0]=4 17343 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [0,2,0,0,0,0|1,0,0]=3 17344 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [0,2,0,0,0,0|1,0,0]=3 17345 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [0,2,0,0,0,0|1,0,0]=3 17346 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [0,2,0,0,0,0|1,0,0]=3 17347 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [0,2,0,0,0,0|1,0,0]=3 17348 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [0,2,0,0,0,0|1,0,0]=3 17349 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [0,2,0,0,0,0|1,0,0]=3 17350 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [0,2,0,0,0,0|1,0,0]=3 17351 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [0,2,0,0,0,0|1,0,0]=3 17352 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [0,2,0,0,0,0|1,0,0]=3 17353 B13R1.528 C[C@@H](CO)COc1cccnc1Br 34a_100000744436_100000059175 [0,2,0,0,0,0|2,0,0]=4 17354 B13R1.528 C[C@@H](CO)COc1cccnc1Br 7a_100000744436_100000059175 [0,2,0,0,0,0|2,0,0]=4 17355 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 34a_100000757616_100000059175 [0,2,0,0,0,0|2,0,0]=4 17356 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 7a_100000757616_100000059175 [0,2,0,0,0,0|2,0,0]=4 17357 B13R1.528 C[C@@H](CO)COc1cccnc1F 34a_100000061740_100000059175 [0,2,0,0,0,0|2,0,0]=4 17358 B13R1.528 C[C@@H](CO)COc1cccnc1F 7a_100000061740_100000059175 [0,2,0,0,0,0|2,0,0]=4 17359 B13R1.528 C[C@@H](CO)COc1cccnc1I 34a_100000034122_100000059175 [0,2,0,0,0,0|2,0,0]=4 17360 B13R1.528 C[C@@H](CO)COc1cccnc1I 7a_100000034122_100000059175 [0,2,0,0,0,0|2,0,0]=4 17361 B13R1.528 C[C@@H](CO)COc1cccnc1N 34a_100000211975_100000059175 [0,2,0,0,0,0|2,0,0]=4 17362 B13R1.528 C[C@@H](CO)COc1cccnc1N 7a_100000211975_100000059175 [0,2,0,0,0,0|2,0,0]=4 17363 B13R1.528 C[C@@H](CO)COc1cccoc1=O 34a_100000077404_100000059175 [0,2,0,0,0,0|2,0,0]=4 17364 B13R1.528 C[C@@H](CO)COc1cccoc1=O 7a_100000077404_100000059175 [0,2,0,0,0,0|2,0,0]=4 17365 B13R1.528 C[C@@H](CO)COc1ccncc1Br 34a_100011996408_100000059175 [0,2,0,0,0,0|2,0,0]=4 17366 B13R1.528 C[C@@H](CO)COc1ccncc1Cl 34a_100011997054_100000059175 [0,2,0,0,0,0|2,0,0]=4 17367 B13R1.528 C[C@@H](CO)COc1ccncc1F 34a_200000081243_100000059175 [0,2,0,0,0,0|2,0,0]=4 17368 B13R1.528 C[C@@H](CO)COc1cnccc1Cl 34a_100011996695_100000059175 [0,2,0,0,0,0|2,0,0]=4 17369 B13R1.528 C[C@@H](CO)COc1cnccc1I 34a_100000050107_100000059175 [0,2,0,0,0,0|2,0,0]=4 17370 B13R1.528 C[C@@H](CO)COc1cnccc1N 34a_100000753702_100000059175 [0,2,0,0,0,0|2,0,0]=4 17371 B13R1.528 C[C@@H](CO)COc1coccc1=O 34a_100000060831_100000059175 [0,2,0,0,0,0|2,0,0]=4 17372 B13R1.528 C[C@@H](CO)COc1ncccc1Cl 34a_100011290957_100000059175 [0,2,0,0,0,0|2,0,0]=4 17373 B13R1.528 C[C@@H](CO)COc1ncccc1F 34a_100011219419_100000059175 [0,2,0,0,0,0|2,0,0]=4 17374 B13R1.528 C[C@@H](CO)COc1ncccc1N 34a_100000746358_100000059175 [0,2,0,0,0,0|2,0,0]=4 17375 B13R1.528 C[C@@H](CO)CSc1c[nH]ccc1=O 62a_100000059175_100009998708 [0,2,0,0,0,0|2,0,0]=4 17376 B13R1.528 C[C@@H](CO)CSc1c[nH]ccc1=O 62a_100009998708_100000059175 [0,2,0,0,0,0|2,0,0]=4 17377 B13R1.528 C[C@@H](CO)CSc1c[nH]ccc1=S 62a_100000059175_200012280681 [0,2,0,0,0,0|2,0,0]=4 17378 B13R1.528 C[C@@H](CO)CSc1c[nH]ccc1=S 62a_200012280681_100000059175 [0,2,0,0,0,0|2,0,0]=4 17379 B13R1.528 C[C@@H](CO)CSc1cccc[n+]1C 62a_100000059175_100000212160 [0,2,0,0,0,0|2,0,0]=4 17380 B13R1.528 C[C@@H](CO)CSc1cccc[n+]1[O-] 62a_100000059175_200000042595 [0,2,0,0,0,0|2,0,0]=4 17381 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000059175_100000695589 [0,2,0,0,0,0|1,0,0]=3 17382 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000695589_100000059175 [0,2,0,0,0,0|1,0,0]=3 17383 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [0,2,0,0,0,0|1,0,0]=3 17384 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [0,2,0,0,0,0|1,0,0]=3 17385 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100000059175_100011215700 [0,2,0,0,0,0|1,0,0]=3 17386 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100011215700_100000059175 [0,2,0,0,0,0|1,0,0]=3 17387 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000059175_100000210017 [0,2,0,0,0,0|1,0,0]=3 17388 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000210017_100000059175 [0,2,0,0,0,0|1,0,0]=3 17389 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000059175_100000739446 [0,2,0,0,0,0|1,0,0]=3 17390 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000739446_100000059175 [0,2,0,0,0,0|1,0,0]=3 17391 B13R1.528 C[C@@H](CO)CSc1cccnc1Br 62a_100000059175_100010202626 [0,2,0,0,0,0|2,0,0]=4 17392 B13R1.528 C[C@@H](CO)CSc1cccnc1Br 62a_100010202626_100000059175 [0,2,0,0,0,0|2,0,0]=4 17393 B13R1.528 C[C@@H](CO)CSc1cccnc1Cl 62a_100000036424_100000059175 [0,2,0,0,0,0|2,0,0]=4 17394 B13R1.528 C[C@@H](CO)CSc1cccnc1Cl 62a_100000059175_100000036424 [0,2,0,0,0,0|2,0,0]=4 17395 B13R1.528 C[C@@H](CO)CSc1cccnc1F 62a_100000059175_100009816115 [0,2,0,0,0,0|2,0,0]=4 17396 B13R1.528 C[C@@H](CO)CSc1cccnc1F 62a_100009816115_100000059175 [0,2,0,0,0,0|2,0,0]=4 17397 B13R1.528 C[C@@H](CO)CSc1cccnc1N 62a_100000045569_100000059175 [0,2,0,0,0,0|2,0,0]=4 17398 B13R1.528 C[C@@H](CO)CSc1cccnc1N 62a_100000059175_100000045569 [0,2,0,0,0,0|2,0,0]=4 17399 B13R1.528 C[C@@H](CO)CSc1cccnc1O 62a_100000059175_100000760158 [0,2,0,0,0,0|2,0,0]=4 17400 B13R1.528 C[C@@H](CO)CSc1cccnc1O 62a_100000760158_100000059175 [0,2,0,0,0,0|2,0,0]=4 17401 B13R1.528 C[C@@H](CO)CSc1ccncc1Br 62a_100000059175_100000726257 [0,2,0,0,0,0|2,0,0]=4 17402 B13R1.528 C[C@@H](CO)CSc1ccncc1Br 62a_100000726257_100000059175 [0,2,0,0,0,0|2,0,0]=4 17403 B13R1.528 C[C@@H](CO)CSc1ccncc1Cl 62a_100000059175_100000708259 [0,2,0,0,0,0|2,0,0]=4 17404 B13R1.528 C[C@@H](CO)CSc1ccncc1Cl 62a_100000708259_100000059175 [0,2,0,0,0,0|2,0,0]=4 17405 B13R1.528 C[C@@H](CO)CSc1ccncc1F 62a_100000047030_100000059175 [0,2,0,0,0,0|2,0,0]=4 17406 B13R1.528 C[C@@H](CO)CSc1ccncc1F 62a_100000059175_100000047030 [0,2,0,0,0,0|2,0,0]=4 17407 B13R1.528 C[C@@H](CO)CSc1ccncc1N 62a_100000059175_100000756074 [0,2,0,0,0,0|2,0,0]=4 17408 B13R1.528 C[C@@H](CO)CSc1ccncc1N 62a_100000756074_100000059175 [0,2,0,0,0,0|2,0,0]=4 17409 B13R1.528 C[C@@H](CO)CSc1ccncc1O 62a_100000059175_100009817591 [0,2,0,0,0,0|2,0,0]=4 17410 B13R1.528 C[C@@H](CO)CSc1ccncc1O 62a_100009817591_100000059175 [0,2,0,0,0,0|2,0,0]=4 17411 B13R1.528 C[C@@H](CO)CSc1cnccc1Br 62a_100000059175_100010138639 [0,2,0,0,0,0|2,0,0]=4 17412 B13R1.528 C[C@@H](CO)CSc1cnccc1Br 62a_100010138639_100000059175 [0,2,0,0,0,0|2,0,0]=4 17413 B13R1.528 C[C@@H](CO)CSc1cnccc1Cl 62a_100000059175_100009995489 [0,2,0,0,0,0|2,0,0]=4 17414 B13R1.528 C[C@@H](CO)CSc1cnccc1Cl 62a_100009995489_100000059175 [0,2,0,0,0,0|2,0,0]=4 17415 B13R1.528 C[C@@H](CO)CSc1cnccc1F 62a_100000059175_100009820683 [0,2,0,0,0,0|2,0,0]=4 17416 B13R1.528 C[C@@H](CO)CSc1cnccc1F 62a_100009820683_100000059175 [0,2,0,0,0,0|2,0,0]=4 17417 B13R1.528 C[C@@H](CO)CSc1cnccc1N 62a_100000047001_100000059175 [0,2,0,0,0,0|2,0,0]=4 17418 B13R1.528 C[C@@H](CO)CSc1cnccc1N 62a_100000059175_100000047001 [0,2,0,0,0,0|2,0,0]=4 17419 B13R1.528 C[C@@H](CO)CSc1ncccc1Br 62a_100000059175_100000696092 [0,2,0,0,0,0|2,0,0]=4 17420 B13R1.528 C[C@@H](CO)CSc1ncccc1Br 62a_100000696092_100000059175 [0,2,0,0,0,0|2,0,0]=4 17421 B13R1.528 C[C@@H](CO)CSc1ncccc1Cl 62a_100000059175_100011356963 [0,2,0,0,0,0|2,0,0]=4 17422 B13R1.528 C[C@@H](CO)CSc1ncccc1Cl 62a_100011356963_100000059175 [0,2,0,0,0,0|2,0,0]=4 17423 B13R1.528 C[C@@H](CO)CSc1ncccc1F 62a_100000059175_100000685392 [0,2,0,0,0,0|2,0,0]=4 17424 B13R1.528 C[C@@H](CO)CSc1ncccc1F 62a_100000685392_100000059175 [0,2,0,0,0,0|2,0,0]=4 17425 B13R1.528 C[C@@H](CO)CSc1ncccc1N 62a_100000059175_100000688686 [0,2,0,0,0,0|2,0,0]=4 17426 B13R1.528 C[C@@H](CO)CSc1ncccc1N 62a_100000688686_100000059175 [0,2,0,0,0,0|2,0,0]=4 17427 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000034122_100000059175 [0,2,0,0,0,0|2,0,0]=4 17428 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000059175_100000034122 [0,2,0,0,0,0|2,0,0]=4 17429 B13R1.528 C[C@H](CF)NCc1ccccc1Br 207a_100102880703_100000211189 [0,2,0,0,0,0|2,0,0]=4 17430 B13R1.528 C[C@H](CF)NCc1ccccc1Br 270004a_100102880703_100000211189 [0,2,0,0,0,0|2,0,0]=4 17431 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 207a_100102880703_100000210073 [0,2,0,0,0,0|2,0,0]=4 17432 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 270004a_100102880703_100000210073 [0,2,0,0,0,0|2,0,0]=4 17433 B13R1.528 C[C@H](CF)NCc1ccccc1F 207a_100102880703_100000210811 [0,2,0,0,0,0|2,0,0]=4 17434 B13R1.528 C[C@H](CF)NCc1ccccc1F 270004a_100102880703_100000210811 [0,2,0,0,0,0|2,0,0]=4 17435 B13R1.528 C[C@H](CF)NCc1ccccc1I 207a_100102880703_100000010305 [0,2,0,0,0,0|2,0,0]=4 17436 B13R1.528 C[C@H](CF)NCc1ccccc1I 270004a_100102880703_100000010305 [0,2,0,0,0,0|2,0,0]=4 17437 B13R1.528 C[C@H](CO)NCc1ccccc1Br 207a_100000737577_100000211189 [0,2,0,0,0,0|1,0,0]=3 17438 B13R1.528 C[C@H](CO)NCc1ccccc1Br 2230a_100000737577_100000184730 [0,2,0,0,0,0|1,0,0]=3 17439 B13R1.528 C[C@H](CO)NCc1ccccc1Br 270004a_100000737577_100000211189 [0,2,0,0,0,0|1,0,0]=3 17440 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 207a_100000737577_100000210073 [0,2,0,0,0,0|1,0,0]=3 17441 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 2230a_100000737577_100000187162 [0,2,0,0,0,0|1,0,0]=3 17442 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 270004a_100000737577_100000210073 [0,2,0,0,0,0|1,0,0]=3 17443 B13R1.528 C[C@H](CO)NCc1ccccc1F 207a_100000737577_100000210811 [0,2,0,0,0,0|1,0,0]=3 17444 B13R1.528 C[C@H](CO)NCc1ccccc1F 2230a_100000737577_100000211605 [0,2,0,0,0,0|1,0,0]=3 17445 B13R1.528 C[C@H](CO)NCc1ccccc1F 270004a_100000737577_100000210811 [0,2,0,0,0,0|1,0,0]=3 17446 B13R1.528 C[C@H](CO)NCc1ccccc1I 207a_100000737577_100000010305 [0,2,0,0,0,0|1,0,0]=3 17447 B13R1.528 C[C@H](CO)NCc1ccccc1I 2230a_100000737577_100011215278 [0,2,0,0,0,0|1,0,0]=3 17448 B13R1.528 C[C@H](CO)NCc1ccccc1I 270004a_100000737577_100000010305 [0,2,0,0,0,0|1,0,0]=3 17449 B13R1.528 C[C@H](CO)NCc1cccnc1Br 2230a_100000737577_100010140945 [0,2,0,0,0,0|2,0,0]=4 17450 B13R1.528 C[C@H](CO)NCc1cccnc1Cl 2230a_100000737577_100000045678 [0,2,0,0,0,0|2,0,0]=4 17451 B13R1.528 C[C@H](CO)NCc1cccnc1F 2230a_100000737577_100000099810 [0,2,0,0,0,0|2,0,0]=4 17452 B13R1.528 C[C@H](CO)NCc1cccnc1O 207a_100000737577_100011998315 [0,2,0,0,0,0|2,0,0]=4 17453 B13R1.528 C[C@H](CO)NCc1cccnc1O 270004a_100000737577_100011998315 [0,2,0,0,0,0|2,0,0]=4 17454 B13R1.528 C[C@H](CO)NCc1ccncc1Br 270004a_100000737577_100000755692 [0,2,0,0,0,0|2,0,0]=4 17455 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 207a_100000737577_100011934409 [0,2,0,0,0,0|2,0,0]=4 17456 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 2230a_100000737577_100000763264 [0,2,0,0,0,0|2,0,0]=4 17457 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 270004a_100000737577_100011934409 [0,2,0,0,0,0|2,0,0]=4 17458 B13R1.528 C[C@H](CO)NCc1cnccc1Br 270004a_100000737577_100009816821 [0,2,0,0,0,0|2,0,0]=4 17459 B13R1.528 C[C@H](CO)NCc1cnccc1Cl 270004a_100000737577_100000050567 [0,2,0,0,0,0|2,0,0]=4 17460 B13R1.528 C[C@H](CO)NCc1ncccc1Br 207a_100000737577_100011934733 [0,2,0,0,0,0|2,0,0]=4 17461 B13R1.528 C[C@H](CO)NCc1ncccc1Br 2230a_100000737577_100025702911 [0,2,0,0,0,0|2,0,0]=4 17462 B13R1.528 C[C@H](CO)NCc1ncccc1Br 270004a_100000737577_100011934733 [0,2,0,0,0,0|2,0,0]=4 17463 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 207a_100000737577_100012001307 [0,2,0,0,0,0|2,0,0]=4 17464 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 2230a_100000737577_100000099807 [0,2,0,0,0,0|2,0,0]=4 17465 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 270004a_100000737577_100012001307 [0,2,0,0,0,0|2,0,0]=4 17466 B13R1.528 C[C@H](CO)NCc1ncccc1F 207a_100000737577_100011934734 [0,2,0,0,0,0|2,0,0]=4 17467 B13R1.528 C[C@H](CO)NCc1ncccc1F 2230a_100000737577_100000104219 [0,2,0,0,0,0|2,0,0]=4 17468 B13R1.528 C[C@H](CO)NCc1ncccc1F 270004a_100000737577_100011934734 [0,2,0,0,0,0|2,0,0]=4 17469 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100000184730_100016084084 [0,2,0,0,0,0|1,0,0]=3 17470 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100016084084_100000184730 [0,2,0,0,0,0|1,0,0]=3 17471 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100000187162_100016084084 [0,2,0,0,0,0|1,0,0]=3 17472 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100016084084_100000187162 [0,2,0,0,0,0|1,0,0]=3 17473 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100000211605_100016084084 [0,2,0,0,0,0|1,0,0]=3 17474 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100016084084_100000211605 [0,2,0,0,0,0|1,0,0]=3 17475 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100011216222_100016084084 [0,2,0,0,0,0|1,0,0]=3 17476 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100016084084_100011216222 [0,2,0,0,0,0|1,0,0]=3 17477 B13R1.528 C[C@H](CO)SCc1cccnc1Br 62a_100010140945_100016084084 [0,2,0,0,0,0|2,0,0]=4 17478 B13R1.528 C[C@H](CO)SCc1cccnc1Br 62a_100016084084_100010140945 [0,2,0,0,0,0|2,0,0]=4 17479 B13R1.528 C[C@H](CO)SCc1cccnc1Cl 62a_100000045678_100016084084 [0,2,0,0,0,0|2,0,0]=4 17480 B13R1.528 C[C@H](CO)SCc1cccnc1Cl 62a_100016084084_100000045678 [0,2,0,0,0,0|2,0,0]=4 17481 B13R1.528 C[C@H](CO)SCc1cccnc1F 62a_100000099810_100016084084 [0,2,0,0,0,0|2,0,0]=4 17482 B13R1.528 C[C@H](CO)SCc1cccnc1F 62a_100016084084_100000099810 [0,2,0,0,0,0|2,0,0]=4 17483 B13R1.528 C[C@H](CO)SCc1ccncc1Cl 62a_100000763264_100016084084 [0,2,0,0,0,0|2,0,0]=4 17484 B13R1.528 C[C@H](CO)SCc1ccncc1Cl 62a_100016084084_100000763264 [0,2,0,0,0,0|2,0,0]=4 17485 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100016084084_100025702911 [0,2,0,0,0,0|2,0,0]=4 17486 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100025702911_100016084084 [0,2,0,0,0,0|2,0,0]=4 17487 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100000099807_100016084084 [0,2,0,0,0,0|2,0,0]=4 17488 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100016084084_100000099807 [0,2,0,0,0,0|2,0,0]=4 17489 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100000104219_100016084084 [0,2,0,0,0,0|2,0,0]=4 17490 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100016084084_100000104219 [0,2,0,0,0,0|2,0,0]=4 17491 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_100016084084_200020655725 [0,2,0,0,0,0|2,0,0]=4 17492 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_200020655725_100016084084 [0,2,0,0,0,0|2,0,0]=4 17493 B13R1.528 C[n+]1ccccc1SCC(O)CO 62a_100011219619_100000212160 [0,2,0,0,0,0|2,0,0]=4 17494 B13R1.528 C[n+]1ccccc1SC[C@@H](O)CF 62a_100015614560_100000212160 [0,2,0,0,0,0|2,0,0]=4 17495 B13R1.528 C[n+]1ccccc1SC[C@@H](O)CO 62a_100009815848_100000212160 [0,2,0,0,0,0|2,0,0]=4 17496 B13R1.528 Cc1ccccc1CCC(=O)CF 1458a_100000748742_100015361967 [0,2,0,0,0,0|0,0,2]=4 17497 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,2,0,0,0,0|0,0,2]=4 17498 B13R1.528 Cc1ccccc1CNC(C)C#N 2230a_100000737613_100000211839 [0,2,0,0,0,0|2,0,0]=4 17499 B13R1.528 Cc1ccccc1CNC(C)CO 34a_100000174972_100012180447 [0,2,0,0,0,0|1,0,0]=3 17500 B13R1.528 Cc1ccccc1CN[C@H](C)CF 207a_100102880703_100000211143 [0,2,0,0,0,0|2,0,0]=4 17501 B13R1.528 Cc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000211143 [0,2,0,0,0,0|2,0,0]=4 17502 B13R1.528 Cc1ccccc1CN[C@H](C)CO 207a_100000737577_100000211143 [0,2,0,0,0,0|1,0,0]=3 17503 B13R1.528 Cc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000211839 [0,2,0,0,0,0|1,0,0]=3 17504 B13R1.528 Cc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000211143 [0,2,0,0,0,0|1,0,0]=3 17505 B13R1.528 Cc1ccccc1COC(C)C#N 34a_100011218135_100000211839 [0,2,0,0,0,0|2,0,0]=4 17506 B13R1.528 Cc1ccccc1COC(C)C#N 7a_100000698903_100000703298 [0,2,0,0,0,0|2,0,0]=4 17507 B13R1.528 Cc1ccccc1COC(C)CF 34a_100016041109_100000211839 [0,2,0,0,0,0|2,0,0]=4 17508 B13R1.528 Cc1ccccc1COC(C)CF 7a_100016041109_100000211839 [0,2,0,0,0,0|2,0,0]=4 17509 B13R1.528 Cc1ccccc1COC(C)CN 34a_100000210904_100000211839 [0,2,0,0,0,0|2,0,0]=4 17510 B13R1.528 Cc1ccccc1COC(C)CO 34a_100000698903_100012180447 [0,2,0,0,0,0|1,0,0]=3 17511 B13R1.528 Cc1ccccc1COC(C)CO 7a_100000698903_100012180447 [0,2,0,0,0,0|1,0,0]=3 17512 B13R1.528 Cc1ccccc1CSC(C)C#N 62a_100000211839_100000703298 [0,2,0,0,0,0|2,0,0]=4 17513 B13R1.528 Cc1ccccc1CSC(C)C#N 62a_100000703298_100000211839 [0,2,0,0,0,0|2,0,0]=4 17514 B13R1.528 Cc1ccccc1CSC(C)CO 62a_100012180447_100000211839 [0,2,0,0,0,0|1,0,0]=3 17515 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100000211839_100016084084 [0,2,0,0,0,0|1,0,0]=3 17516 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100016084084_100000211839 [0,2,0,0,0,0|1,0,0]=3 17517 B13R1.528 Cc1ccccc1NCC(O)CO 34a_100015192222_100011219619 [0,2,0,0,0,0|1,0,0]=3 17518 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [0,2,0,0,0,0|1,0,0]=3 17519 B13R1.528 Cc1ccccc1NC[C@@H](O)CF 34a_100015192222_100015614560 [0,2,0,0,0,0|1,0,0]=3 17520 B13R1.528 Cc1ccccc1NC[C@@H](O)CO 34a_100015192222_100009815848 [0,2,0,0,0,0|1,0,0]=3 17521 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 2230a_100000744241_200025704644 [0,2,0,0,0,0|2,0,0]=4 17522 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 34a_100000744241_200025704644 [0,2,0,0,0,0|2,0,0]=4 17523 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [0,2,0,0,0,0|1,0,0]=3 17524 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [0,2,0,0,0,0|1,0,0]=3 17525 B13R1.528 Cc1ccccc1OCC(O)CO 34a_100000210338_100011219619 [0,2,0,0,0,0|1,0,0]=3 17526 B13R1.528 Cc1ccccc1OCC(O)CO 7a_100000210338_100011219619 [0,2,0,0,0,0|1,0,0]=3 17527 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [0,2,0,0,0,0|1,0,0]=3 17528 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [0,2,0,0,0,0|1,0,0]=3 17529 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 34a_100000210338_100015614560 [0,2,0,0,0,0|1,0,0]=3 17530 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 7a_100000210338_100015614560 [0,2,0,0,0,0|1,0,0]=3 17531 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 34a_100000210338_100009815848 [0,2,0,0,0,0|1,0,0]=3 17532 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 7a_100000210338_100009815848 [0,2,0,0,0,0|1,0,0]=3 17533 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100000210755_100011219619 [0,2,0,0,0,0|1,0,0]=3 17534 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100011219619_100000210755 [0,2,0,0,0,0|1,0,0]=3 17535 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [0,2,0,0,0,0|1,0,0]=3 17536 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [0,2,0,0,0,0|1,0,0]=3 17537 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100000210755_100015614560 [0,2,0,0,0,0|1,0,0]=3 17538 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210755 [0,2,0,0,0,0|1,0,0]=3 17539 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100000210755_100009815848 [0,2,0,0,0,0|1,0,0]=3 17540 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210755 [0,2,0,0,0,0|1,0,0]=3 17541 B13R1.528 Cc1cccnc1CNC(C)CO 34a_100011223789_100012180447 [0,2,0,0,0,0|2,0,0]=4 17542 B13R1.528 Cc1cccnc1CN[C@H](C)CO 207a_100000737577_100000698913 [0,2,0,0,0,0|2,0,0]=4 17543 B13R1.528 Cc1cccnc1CN[C@H](C)CO 2230a_100000737577_100000696600 [0,2,0,0,0,0|2,0,0]=4 17544 B13R1.528 Cc1cccnc1CN[C@H](C)CO 270004a_100000737577_100000698913 [0,2,0,0,0,0|2,0,0]=4 17545 B13R1.528 Cc1cccnc1COC(C)CO 34a_100000698912_100012180447 [0,2,0,0,0,0|2,0,0]=4 17546 B13R1.528 Cc1cccnc1CSC(C)CO 62a_100012180447_100000696600 [0,2,0,0,0,0|2,0,0]=4 17547 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100000696600_100016084084 [0,2,0,0,0,0|2,0,0]=4 17548 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100016084084_100000696600 [0,2,0,0,0,0|2,0,0]=4 17549 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100000751373_100011219619 [0,2,0,0,0,0|2,0,0]=4 17550 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100011219619_100000751373 [0,2,0,0,0,0|2,0,0]=4 17551 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000059175_100000751373 [0,2,0,0,0,0|2,0,0]=4 17552 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000751373_100000059175 [0,2,0,0,0,0|2,0,0]=4 17553 B13R1.528 Cc1cccnc1SC[C@@H](O)CF 62a_100000751373_100015614560 [0,2,0,0,0,0|2,0,0]=4 17554 B13R1.528 Cc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000751373 [0,2,0,0,0,0|2,0,0]=4 17555 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100000751373_100009815848 [0,2,0,0,0,0|2,0,0]=4 17556 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000751373 [0,2,0,0,0,0|2,0,0]=4 17557 B13R1.528 Cc1ccncc1CN[C@H](C)CO 207a_100000737577_100000685662 [0,2,0,0,0,0|2,0,0]=4 17558 B13R1.528 Cc1ccncc1CN[C@H](C)CO 2230a_100000737577_100000690890 [0,2,0,0,0,0|2,0,0]=4 17559 B13R1.528 Cc1ccncc1CN[C@H](C)CO 270004a_100000737577_100000685662 [0,2,0,0,0,0|2,0,0]=4 17560 B13R1.528 Cc1ccncc1COC(C)CO 34a_100011996381_100012180447 [0,2,0,0,0,0|2,0,0]=4 17561 B13R1.528 Cc1ccncc1CSC(C)CO 62a_100012180447_100000690890 [0,2,0,0,0,0|2,0,0]=4 17562 B13R1.528 Cc1ccncc1CS[C@H](C)CO 62a_100000690890_100016084084 [0,2,0,0,0,0|2,0,0]=4 17563 B13R1.528 Cc1ccncc1CS[C@H](C)CO 62a_100016084084_100000690890 [0,2,0,0,0,0|2,0,0]=4 17564 B13R1.528 Cc1ccncc1OCC(O)CO 34a_100011997053_100011219619 [0,2,0,0,0,0|2,0,0]=4 17565 B13R1.528 Cc1ccncc1OCC(O)CO 7a_100011997053_100011219619 [0,2,0,0,0,0|2,0,0]=4 17566 B13R1.528 Cc1ccncc1OC[C@@H](C)CO 34a_100011997053_100000059175 [0,2,0,0,0,0|2,0,0]=4 17567 B13R1.528 Cc1ccncc1OC[C@@H](C)CO 7a_100011997053_100000059175 [0,2,0,0,0,0|2,0,0]=4 17568 B13R1.528 Cc1ccncc1OC[C@@H](O)CF 34a_100011997053_100015614560 [0,2,0,0,0,0|2,0,0]=4 17569 B13R1.528 Cc1ccncc1OC[C@@H](O)CF 7a_100011997053_100015614560 [0,2,0,0,0,0|2,0,0]=4 17570 B13R1.528 Cc1ccncc1OC[C@@H](O)CO 34a_100011997053_100009815848 [0,2,0,0,0,0|2,0,0]=4 17571 B13R1.528 Cc1ccncc1OC[C@@H](O)CO 7a_100011997053_100009815848 [0,2,0,0,0,0|2,0,0]=4 17572 B13R1.528 Cc1ccncc1SCC(O)CO 62a_100000761580_100011219619 [0,2,0,0,0,0|2,0,0]=4 17573 B13R1.528 Cc1ccncc1SCC(O)CO 62a_100011219619_100000761580 [0,2,0,0,0,0|2,0,0]=4 17574 B13R1.528 Cc1ccncc1SC[C@@H](C)CO 62a_100000059175_100000761580 [0,2,0,0,0,0|2,0,0]=4 17575 B13R1.528 Cc1ccncc1SC[C@@H](C)CO 62a_100000761580_100000059175 [0,2,0,0,0,0|2,0,0]=4 17576 B13R1.528 Cc1ccncc1SC[C@@H](O)CF 62a_100000761580_100015614560 [0,2,0,0,0,0|2,0,0]=4 17577 B13R1.528 Cc1ccncc1SC[C@@H](O)CF 62a_100015614560_100000761580 [0,2,0,0,0,0|2,0,0]=4 17578 B13R1.528 Cc1ccncc1SC[C@@H](O)CO 62a_100000761580_100009815848 [0,2,0,0,0,0|2,0,0]=4 17579 B13R1.528 Cc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000761580 [0,2,0,0,0,0|2,0,0]=4 17580 B13R1.528 Cc1cnccc1CN[C@H](C)CO 2230a_100000737577_100020672808 [0,2,0,0,0,0|2,0,0]=4 17581 B13R1.528 Cc1cnccc1COC(C)CO 34a_100011997032_100012180447 [0,2,0,0,0,0|2,0,0]=4 17582 B13R1.528 Cc1cnccc1CSC(C)CO 62a_100012180447_100020672808 [0,2,0,0,0,0|2,0,0]=4 17583 B13R1.528 Cc1cnccc1CS[C@H](C)CO 62a_100016084084_100020672808 [0,2,0,0,0,0|2,0,0]=4 17584 B13R1.528 Cc1cnccc1CS[C@H](C)CO 62a_100020672808_100016084084 [0,2,0,0,0,0|2,0,0]=4 17585 B13R1.528 Cc1cnccc1NCC(C)CO 27a_100000744482_100000765111 [0,2,0,0,0,0|2,0,0]=4 17586 B13R1.528 Cc1cnccc1NC[C@H](O)CO 27a_100020644852_100000765111 [0,2,0,0,0,0|2,0,0]=4 17587 B13R1.528 Cc1cnccc1OCC(O)CO 34a_100000694293_100011219619 [0,2,0,0,0,0|2,0,0]=4 17588 B13R1.528 Cc1cnccc1OC[C@@H](C)CO 34a_100000694293_100000059175 [0,2,0,0,0,0|2,0,0]=4 17589 B13R1.528 Cc1cnccc1OC[C@@H](O)CF 34a_100000694293_100015614560 [0,2,0,0,0,0|2,0,0]=4 17590 B13R1.528 Cc1cnccc1OC[C@@H](O)CO 34a_100000694293_100009815848 [0,2,0,0,0,0|2,0,0]=4 17591 B13R1.528 Cc1cnccc1SCC(O)CO 62a_100000765111_100011219619 [0,2,0,0,0,0|2,0,0]=4 17592 B13R1.528 Cc1cnccc1SCC(O)CO 62a_100011219619_100000765111 [0,2,0,0,0,0|2,0,0]=4 17593 B13R1.528 Cc1cnccc1SC[C@@H](C)CO 62a_100000059175_100000765111 [0,2,0,0,0,0|2,0,0]=4 17594 B13R1.528 Cc1cnccc1SC[C@@H](C)CO 62a_100000765111_100000059175 [0,2,0,0,0,0|2,0,0]=4 17595 B13R1.528 Cc1cnccc1SC[C@@H](O)CF 62a_100000765111_100015614560 [0,2,0,0,0,0|2,0,0]=4 17596 B13R1.528 Cc1cnccc1SC[C@@H](O)CF 62a_100015614560_100000765111 [0,2,0,0,0,0|2,0,0]=4 17597 B13R1.528 Cc1cnccc1SC[C@@H](O)CO 62a_100000765111_100009815848 [0,2,0,0,0,0|2,0,0]=4 17598 B13R1.528 Cc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000765111 [0,2,0,0,0,0|2,0,0]=4 17599 B13R1.528 Cc1ncccc1CN[C@H](C)CO 207a_100000737577_100000751968 [0,2,0,0,0,0|2,0,0]=4 17600 B13R1.528 Cc1ncccc1CN[C@H](C)CO 2230a_100000737577_100000732876 [0,2,0,0,0,0|2,0,0]=4 17601 B13R1.528 Cc1ncccc1CN[C@H](C)CO 270004a_100000737577_100000751968 [0,2,0,0,0,0|2,0,0]=4 17602 B13R1.528 Cc1ncccc1COC(C)CO 34a_100000729262_100012180447 [0,2,0,0,0,0|2,0,0]=4 17603 B13R1.528 Cc1ncccc1COC(C)CO 7a_100000729262_100012180447 [0,2,0,0,0,0|2,0,0]=4 17604 B13R1.528 Cc1ncccc1CSC(C)CO 62a_100012180447_100000732876 [0,2,0,0,0,0|2,0,0]=4 17605 B13R1.528 Cc1ncccc1CS[C@H](C)CO 62a_100000732876_100016084084 [0,2,0,0,0,0|2,0,0]=4 17606 B13R1.528 Cc1ncccc1CS[C@H](C)CO 62a_100016084084_100000732876 [0,2,0,0,0,0|2,0,0]=4 17607 B13R1.528 Cc1ncccc1OCC(O)CO 34a_100000745507_100011219619 [0,2,0,0,0,0|2,0,0]=4 17608 B13R1.528 Cc1ncccc1OCC(O)CO 7a_100000745507_100011219619 [0,2,0,0,0,0|2,0,0]=4 17609 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 34a_100000745507_100000059175 [0,2,0,0,0,0|2,0,0]=4 17610 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 7a_100000745507_100000059175 [0,2,0,0,0,0|2,0,0]=4 17611 B13R1.528 Cc1ncccc1OC[C@@H](O)CF 34a_100000745507_100015614560 [0,2,0,0,0,0|2,0,0]=4 17612 B13R1.528 Cc1ncccc1OC[C@@H](O)CF 7a_100000745507_100015614560 [0,2,0,0,0,0|2,0,0]=4 17613 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 34a_100000745507_100009815848 [0,2,0,0,0,0|2,0,0]=4 17614 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 7a_100000745507_100009815848 [0,2,0,0,0,0|2,0,0]=4 17615 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100000751574_100011219619 [0,2,0,0,0,0|2,0,0]=4 17616 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100011219619_100000751574 [0,2,0,0,0,0|2,0,0]=4 17617 B13R1.528 Cc1ncccc1SC[C@@H](C)CO 62a_100000059175_100000751574 [0,2,0,0,0,0|2,0,0]=4 17618 B13R1.528 Cc1ncccc1SC[C@@H](C)CO 62a_100000751574_100000059175 [0,2,0,0,0,0|2,0,0]=4 17619 B13R1.528 Cc1ncccc1SC[C@@H](O)CF 62a_100000751574_100015614560 [0,2,0,0,0,0|2,0,0]=4 17620 B13R1.528 Cc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000751574 [0,2,0,0,0,0|2,0,0]=4 17621 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100000751574_100009815848 [0,2,0,0,0,0|2,0,0]=4 17622 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000751574 [0,2,0,0,0,0|2,0,0]=4 17623 B13R1.528 Nc1ccccc1OCC(O)CO 34a_100000185747_100011219619 [0,2,0,0,0,0|1,0,0]=3 17624 B13R1.528 Nc1ccccc1OCC(O)CO 7a_100000185747_100011219619 [0,2,0,0,0,0|1,0,0]=3 17625 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 34a_100000185747_100015614560 [0,2,0,0,0,0|1,0,0]=3 17626 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 7a_100000185747_100015614560 [0,2,0,0,0,0|1,0,0]=3 17627 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 34a_100000185747_100009815848 [0,2,0,0,0,0|1,0,0]=3 17628 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 7a_100000185747_100009815848 [0,2,0,0,0,0|1,0,0]=3 17629 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100000210017_100011219619 [0,2,0,0,0,0|1,0,0]=3 17630 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100011219619_100000210017 [0,2,0,0,0,0|1,0,0]=3 17631 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100000210017_100015614560 [0,2,0,0,0,0|1,0,0]=3 17632 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210017 [0,2,0,0,0,0|1,0,0]=3 17633 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100000210017_100009815848 [0,2,0,0,0,0|1,0,0]=3 17634 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210017 [0,2,0,0,0,0|1,0,0]=3 17635 B13R1.528 Nc1cccnc1OCC(O)CO 34a_100000746358_100011219619 [0,2,0,0,0,0|2,0,0]=4 17636 B13R1.528 Nc1cccnc1OC[C@@H](O)CF 34a_100000746358_100015614560 [0,2,0,0,0,0|2,0,0]=4 17637 B13R1.528 Nc1cccnc1OC[C@@H](O)CO 34a_100000746358_100009815848 [0,2,0,0,0,0|2,0,0]=4 17638 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100000688686_100011219619 [0,2,0,0,0,0|2,0,0]=4 17639 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100011219619_100000688686 [0,2,0,0,0,0|2,0,0]=4 17640 B13R1.528 Nc1cccnc1SC[C@@H](O)CF 62a_100000688686_100015614560 [0,2,0,0,0,0|2,0,0]=4 17641 B13R1.528 Nc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000688686 [0,2,0,0,0,0|2,0,0]=4 17642 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100000688686_100009815848 [0,2,0,0,0,0|2,0,0]=4 17643 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000688686 [0,2,0,0,0,0|2,0,0]=4 17644 B13R1.528 Nc1ccncc1OCC(O)CO 34a_100000753702_100011219619 [0,2,0,0,0,0|2,0,0]=4 17645 B13R1.528 Nc1ccncc1OC[C@@H](O)CF 34a_100000753702_100015614560 [0,2,0,0,0,0|2,0,0]=4 17646 B13R1.528 Nc1ccncc1OC[C@@H](O)CO 34a_100000753702_100009815848 [0,2,0,0,0,0|2,0,0]=4 17647 B13R1.528 Nc1ccncc1SCC(O)CO 62a_100000047001_100011219619 [0,2,0,0,0,0|2,0,0]=4 17648 B13R1.528 Nc1ccncc1SCC(O)CO 62a_100011219619_100000047001 [0,2,0,0,0,0|2,0,0]=4 17649 B13R1.528 Nc1ccncc1SC[C@@H](O)CF 62a_100000047001_100015614560 [0,2,0,0,0,0|2,0,0]=4 17650 B13R1.528 Nc1ccncc1SC[C@@H](O)CF 62a_100015614560_100000047001 [0,2,0,0,0,0|2,0,0]=4 17651 B13R1.528 Nc1ccncc1SC[C@@H](O)CO 62a_100000047001_100009815848 [0,2,0,0,0,0|2,0,0]=4 17652 B13R1.528 Nc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000047001 [0,2,0,0,0,0|2,0,0]=4 17653 B13R1.528 Nc1cnccc1SCC(O)CO 62a_100000756074_100011219619 [0,2,0,0,0,0|2,0,0]=4 17654 B13R1.528 Nc1cnccc1SCC(O)CO 62a_100011219619_100000756074 [0,2,0,0,0,0|2,0,0]=4 17655 B13R1.528 Nc1cnccc1SC[C@@H](O)CF 62a_100000756074_100015614560 [0,2,0,0,0,0|2,0,0]=4 17656 B13R1.528 Nc1cnccc1SC[C@@H](O)CF 62a_100015614560_100000756074 [0,2,0,0,0,0|2,0,0]=4 17657 B13R1.528 Nc1cnccc1SC[C@@H](O)CO 62a_100000756074_100009815848 [0,2,0,0,0,0|2,0,0]=4 17658 B13R1.528 Nc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000756074 [0,2,0,0,0,0|2,0,0]=4 17659 B13R1.528 Nc1ncccc1OCC(O)CO 34a_100000211975_100011219619 [0,2,0,0,0,0|2,0,0]=4 17660 B13R1.528 Nc1ncccc1OCC(O)CO 7a_100000211975_100011219619 [0,2,0,0,0,0|2,0,0]=4 17661 B13R1.528 Nc1ncccc1OC[C@@H](O)CF 34a_100000211975_100015614560 [0,2,0,0,0,0|2,0,0]=4 17662 B13R1.528 Nc1ncccc1OC[C@@H](O)CF 7a_100000211975_100015614560 [0,2,0,0,0,0|2,0,0]=4 17663 B13R1.528 Nc1ncccc1OC[C@@H](O)CO 34a_100000211975_100009815848 [0,2,0,0,0,0|2,0,0]=4 17664 B13R1.528 Nc1ncccc1OC[C@@H](O)CO 7a_100000211975_100009815848 [0,2,0,0,0,0|2,0,0]=4 17665 B13R1.528 Nc1ncccc1SCC(O)CO 62a_100000045569_100011219619 [0,2,0,0,0,0|2,0,0]=4 17666 B13R1.528 Nc1ncccc1SCC(O)CO 62a_100011219619_100000045569 [0,2,0,0,0,0|2,0,0]=4 17667 B13R1.528 Nc1ncccc1SC[C@@H](O)CF 62a_100000045569_100015614560 [0,2,0,0,0,0|2,0,0]=4 17668 B13R1.528 Nc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000045569 [0,2,0,0,0,0|2,0,0]=4 17669 B13R1.528 Nc1ncccc1SC[C@@H](O)CO 62a_100000045569_100009815848 [0,2,0,0,0,0|2,0,0]=4 17670 B13R1.528 Nc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000045569 [0,2,0,0,0,0|2,0,0]=4 17671 B13R1.528 O=C(CF)CCc1ccccc1Br 1458a_100000740810_100015361967 [0,2,0,0,0,0|0,0,2]=4 17672 B13R1.528 O=C(CF)CCc1ccccc1Cl 1458a_100000184300_100015361967 [0,2,0,0,0,0|0,0,2]=4 17673 B13R1.528 O=C(CF)CCc1ccccc1F 1458a_100000189703_100015361967 [0,2,0,0,0,0|0,0,2]=4 17674 B13R1.528 O=C(CF)CCc1ccccc1I 1458a_100000037306_100015361967 [0,2,0,0,0,0|0,0,2]=4 17675 B13R1.528 O=C(CF)CCc1ccccc1O 1458a_100000181328_100015361967 [0,2,0,0,0,0|0,0,2]=4 17676 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,2,0,0,0,0|0,0,2]=4 17677 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,2,0,0,0,0|0,0,2]=4 17678 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,2,0,0,0,0|0,0,2]=4 17679 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,2,0,0,0,0|0,0,2]=4 17680 B13R1.528 O=c1cc[nH]cc1SCC(O)CO 62a_100009998708_100011219619 [0,2,0,0,0,0|2,0,0]=4 17681 B13R1.528 O=c1cc[nH]cc1SCC(O)CO 62a_100011219619_100009998708 [0,2,0,0,0,0|2,0,0]=4 17682 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CF 62a_100009998708_100015614560 [0,2,0,0,0,0|2,0,0]=4 17683 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CF 62a_100015614560_100009998708 [0,2,0,0,0,0|2,0,0]=4 17684 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CO 62a_100009815848_100009998708 [0,2,0,0,0,0|2,0,0]=4 17685 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CO 62a_100009998708_100009815848 [0,2,0,0,0,0|2,0,0]=4 17686 B13R1.528 O=c1ccocc1OCC(O)CO 34a_100000060831_100011219619 [0,2,0,0,0,0|2,0,0]=4 17687 B13R1.528 O=c1ccocc1OC[C@@H](O)CF 34a_100000060831_100015614560 [0,2,0,0,0,0|2,0,0]=4 17688 B13R1.528 O=c1ccocc1OC[C@@H](O)CO 34a_100000060831_100009815848 [0,2,0,0,0,0|2,0,0]=4 17689 B13R1.528 O=c1occcc1OCC(O)CO 34a_100000077404_100011219619 [0,2,0,0,0,0|2,0,0]=4 17690 B13R1.528 O=c1occcc1OCC(O)CO 7a_100000077404_100011219619 [0,2,0,0,0,0|2,0,0]=4 17691 B13R1.528 O=c1occcc1OC[C@@H](O)CF 34a_100000077404_100015614560 [0,2,0,0,0,0|2,0,0]=4 17692 B13R1.528 O=c1occcc1OC[C@@H](O)CF 7a_100000077404_100015614560 [0,2,0,0,0,0|2,0,0]=4 17693 B13R1.528 O=c1occcc1OC[C@@H](O)CO 34a_100000077404_100009815848 [0,2,0,0,0,0|2,0,0]=4 17694 B13R1.528 O=c1occcc1OC[C@@H](O)CO 7a_100000077404_100009815848 [0,2,0,0,0,0|2,0,0]=4 17695 B13R1.528 OCC(O)CNc1ccccc1Br 34a_100000210017_100011219619 [0,2,0,0,0,0|1,0,0]=3 17696 B13R1.528 OCC(O)CNc1ccccc1Cl 34a_100000185783_100011219619 [0,2,0,0,0,0|1,0,0]=3 17697 B13R1.528 OCC(O)CNc1ccccc1F 34a_100000210422_100011219619 [0,2,0,0,0,0|1,0,0]=3 17698 B13R1.528 OCC(O)CNc1ccccc1I 34a_100000210053_100011219619 [0,2,0,0,0,0|1,0,0]=3 17699 B13R1.528 OCC(O)CNc1ccccc1O 34a_100000185747_100011219619 [0,2,0,0,0,0|1,0,0]=3 17700 B13R1.528 OCC(O)COc1ccccc1Br 34a_100000181306_100011219619 [0,2,0,0,0,0|1,0,0]=3 17701 B13R1.528 OCC(O)COc1ccccc1Br 7a_100000181306_100011219619 [0,2,0,0,0,0|1,0,0]=3 17702 B13R1.528 OCC(O)COc1ccccc1Cl 34a_100000210172_100011219619 [0,2,0,0,0,0|1,0,0]=3 17703 B13R1.528 OCC(O)COc1ccccc1Cl 7a_100000210172_100011219619 [0,2,0,0,0,0|1,0,0]=3 17704 B13R1.528 OCC(O)COc1ccccc1F 34a_100000210171_100011219619 [0,2,0,0,0,0|1,0,0]=3 17705 B13R1.528 OCC(O)COc1ccccc1F 7a_100000210171_100011219619 [0,2,0,0,0,0|1,0,0]=3 17706 B13R1.528 OCC(O)COc1ccccc1I 34a_100000739446_100011219619 [0,2,0,0,0,0|1,0,0]=3 17707 B13R1.528 OCC(O)COc1ccccc1I 7a_100000739446_100011219619 [0,2,0,0,0,0|1,0,0]=3 17708 B13R1.528 OCC(O)COc1cccnc1Br 34a_100000744436_100011219619 [0,2,0,0,0,0|2,0,0]=4 17709 B13R1.528 OCC(O)COc1cccnc1Br 7a_100000744436_100011219619 [0,2,0,0,0,0|2,0,0]=4 17710 B13R1.528 OCC(O)COc1cccnc1Cl 34a_100000757616_100011219619 [0,2,0,0,0,0|2,0,0]=4 17711 B13R1.528 OCC(O)COc1cccnc1Cl 7a_100000757616_100011219619 [0,2,0,0,0,0|2,0,0]=4 17712 B13R1.528 OCC(O)COc1cccnc1F 34a_100000061740_100011219619 [0,2,0,0,0,0|2,0,0]=4 17713 B13R1.528 OCC(O)COc1cccnc1F 7a_100000061740_100011219619 [0,2,0,0,0,0|2,0,0]=4 17714 B13R1.528 OCC(O)COc1cccnc1I 34a_100000034122_100011219619 [0,2,0,0,0,0|2,0,0]=4 17715 B13R1.528 OCC(O)COc1cccnc1I 7a_100000034122_100011219619 [0,2,0,0,0,0|2,0,0]=4 17716 B13R1.528 OCC(O)COc1ccncc1Br 34a_100011996408_100011219619 [0,2,0,0,0,0|2,0,0]=4 17717 B13R1.528 OCC(O)COc1ccncc1Cl 34a_100011997054_100011219619 [0,2,0,0,0,0|2,0,0]=4 17718 B13R1.528 OCC(O)COc1ccncc1F 34a_200000081243_100011219619 [0,2,0,0,0,0|2,0,0]=4 17719 B13R1.528 OCC(O)COc1cnccc1Cl 34a_100011996695_100011219619 [0,2,0,0,0,0|2,0,0]=4 17720 B13R1.528 OCC(O)COc1cnccc1I 34a_100000050107_100011219619 [0,2,0,0,0,0|2,0,0]=4 17721 B13R1.528 OCC(O)COc1ncccc1Cl 34a_100011290957_100011219619 [0,2,0,0,0,0|2,0,0]=4 17722 B13R1.528 OCC(O)COc1ncccc1F 34a_100011219419_100011219619 [0,2,0,0,0,0|2,0,0]=4 17723 B13R1.528 OCC(O)CSc1c[nH]ccc1=S 62a_100011219619_200012280681 [0,2,0,0,0,0|2,0,0]=4 17724 B13R1.528 OCC(O)CSc1c[nH]ccc1=S 62a_200012280681_100011219619 [0,2,0,0,0,0|2,0,0]=4 17725 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100000695589_100011219619 [0,2,0,0,0,0|1,0,0]=3 17726 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100011219619_100000695589 [0,2,0,0,0,0|1,0,0]=3 17727 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100000764095_100011219619 [0,2,0,0,0,0|1,0,0]=3 17728 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100011219619_100000764095 [0,2,0,0,0,0|1,0,0]=3 17729 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011215700_100011219619 [0,2,0,0,0,0|1,0,0]=3 17730 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011219619_100011215700 [0,2,0,0,0,0|1,0,0]=3 17731 B13R1.528 OCC(O)CSc1ccccc1O 62a_100000739446_100011219619 [0,2,0,0,0,0|1,0,0]=3 17732 B13R1.528 OCC(O)CSc1ccccc1O 62a_100011219619_100000739446 [0,2,0,0,0,0|1,0,0]=3 17733 B13R1.528 OCC(O)CSc1cccnc1Br 62a_100010202626_100011219619 [0,2,0,0,0,0|2,0,0]=4 17734 B13R1.528 OCC(O)CSc1cccnc1Br 62a_100011219619_100010202626 [0,2,0,0,0,0|2,0,0]=4 17735 B13R1.528 OCC(O)CSc1cccnc1Cl 62a_100000036424_100011219619 [0,2,0,0,0,0|2,0,0]=4 17736 B13R1.528 OCC(O)CSc1cccnc1Cl 62a_100011219619_100000036424 [0,2,0,0,0,0|2,0,0]=4 17737 B13R1.528 OCC(O)CSc1cccnc1F 62a_100009816115_100011219619 [0,2,0,0,0,0|2,0,0]=4 17738 B13R1.528 OCC(O)CSc1cccnc1F 62a_100011219619_100009816115 [0,2,0,0,0,0|2,0,0]=4 17739 B13R1.528 OCC(O)CSc1cccnc1O 62a_100000760158_100011219619 [0,2,0,0,0,0|2,0,0]=4 17740 B13R1.528 OCC(O)CSc1cccnc1O 62a_100011219619_100000760158 [0,2,0,0,0,0|2,0,0]=4 17741 B13R1.528 OCC(O)CSc1ccncc1Br 62a_100000726257_100011219619 [0,2,0,0,0,0|2,0,0]=4 17742 B13R1.528 OCC(O)CSc1ccncc1Br 62a_100011219619_100000726257 [0,2,0,0,0,0|2,0,0]=4 17743 B13R1.528 OCC(O)CSc1ccncc1Cl 62a_100000708259_100011219619 [0,2,0,0,0,0|2,0,0]=4 17744 B13R1.528 OCC(O)CSc1ccncc1Cl 62a_100011219619_100000708259 [0,2,0,0,0,0|2,0,0]=4 17745 B13R1.528 OCC(O)CSc1ccncc1F 62a_100000047030_100011219619 [0,2,0,0,0,0|2,0,0]=4 17746 B13R1.528 OCC(O)CSc1ccncc1F 62a_100011219619_100000047030 [0,2,0,0,0,0|2,0,0]=4 17747 B13R1.528 OCC(O)CSc1ccncc1O 62a_100009817591_100011219619 [0,2,0,0,0,0|2,0,0]=4 17748 B13R1.528 OCC(O)CSc1ccncc1O 62a_100011219619_100009817591 [0,2,0,0,0,0|2,0,0]=4 17749 B13R1.528 OCC(O)CSc1cnccc1Br 62a_100010138639_100011219619 [0,2,0,0,0,0|2,0,0]=4 17750 B13R1.528 OCC(O)CSc1cnccc1Br 62a_100011219619_100010138639 [0,2,0,0,0,0|2,0,0]=4 17751 B13R1.528 OCC(O)CSc1cnccc1Cl 62a_100009995489_100011219619 [0,2,0,0,0,0|2,0,0]=4 17752 B13R1.528 OCC(O)CSc1cnccc1Cl 62a_100011219619_100009995489 [0,2,0,0,0,0|2,0,0]=4 17753 B13R1.528 OCC(O)CSc1cnccc1F 62a_100009820683_100011219619 [0,2,0,0,0,0|2,0,0]=4 17754 B13R1.528 OCC(O)CSc1cnccc1F 62a_100011219619_100009820683 [0,2,0,0,0,0|2,0,0]=4 17755 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100000696092_100011219619 [0,2,0,0,0,0|2,0,0]=4 17756 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100011219619_100000696092 [0,2,0,0,0,0|2,0,0]=4 17757 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011219619_100011356963 [0,2,0,0,0,0|2,0,0]=4 17758 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011356963_100011219619 [0,2,0,0,0,0|2,0,0]=4 17759 B13R1.528 OCC(O)CSc1ncccc1F 62a_100000685392_100011219619 [0,2,0,0,0,0|2,0,0]=4 17760 B13R1.528 OCC(O)CSc1ncccc1F 62a_100011219619_100000685392 [0,2,0,0,0,0|2,0,0]=4 17761 B13R1.528 OCC(O)CSc1ncccc1O 62a_100000034122_100011219619 [0,2,0,0,0,0|2,0,0]=4 17762 B13R1.528 OCC(O)CSc1ncccc1O 62a_100011219619_100000034122 [0,2,0,0,0,0|2,0,0]=4 17763 B13R1.528 OC[C@@H](O)CNc1ccncc1Br 27a_100020644852_100000726257 [0,2,0,0,0,0|2,0,0]=4 17764 B13R1.528 OC[C@@H](O)CNc1ccncc1F 27a_100020644852_100000035921 [0,2,0,0,0,0|2,0,0]=4 17765 B13R1.528 OC[C@@H](O)CNc1ncccc1Br 27a_100020644852_100000696092 [0,2,0,0,0,0|2,0,0]=4 17766 B13R1.528 OC[C@H](O)CNc1ccccc1Br 34a_100000210017_100009815848 [0,2,0,0,0,0|1,0,0]=3 17767 B13R1.528 OC[C@H](O)CNc1ccccc1Cl 34a_100000185783_100009815848 [0,2,0,0,0,0|1,0,0]=3 17768 B13R1.528 OC[C@H](O)CNc1ccccc1F 34a_100000210422_100009815848 [0,2,0,0,0,0|1,0,0]=3 17769 B13R1.528 OC[C@H](O)CNc1ccccc1I 34a_100000210053_100009815848 [0,2,0,0,0,0|1,0,0]=3 17770 B13R1.528 OC[C@H](O)CNc1ccccc1O 34a_100000185747_100009815848 [0,2,0,0,0,0|1,0,0]=3 17771 B13R1.528 OC[C@H](O)COc1ccccc1Br 34a_100000181306_100009815848 [0,2,0,0,0,0|1,0,0]=3 17772 B13R1.528 OC[C@H](O)COc1ccccc1Br 7a_100000181306_100009815848 [0,2,0,0,0,0|1,0,0]=3 17773 B13R1.528 OC[C@H](O)COc1ccccc1Cl 34a_100000210172_100009815848 [0,2,0,0,0,0|1,0,0]=3 17774 B13R1.528 OC[C@H](O)COc1ccccc1Cl 7a_100000210172_100009815848 [0,2,0,0,0,0|1,0,0]=3 17775 B13R1.528 OC[C@H](O)COc1ccccc1F 34a_100000210171_100009815848 [0,2,0,0,0,0|1,0,0]=3 17776 B13R1.528 OC[C@H](O)COc1ccccc1F 7a_100000210171_100009815848 [0,2,0,0,0,0|1,0,0]=3 17777 B13R1.528 OC[C@H](O)COc1ccccc1I 34a_100000739446_100009815848 [0,2,0,0,0,0|1,0,0]=3 17778 B13R1.528 OC[C@H](O)COc1ccccc1I 7a_100000739446_100009815848 [0,2,0,0,0,0|1,0,0]=3 17779 B13R1.528 OC[C@H](O)COc1cccnc1Br 34a_100000744436_100009815848 [0,2,0,0,0,0|2,0,0]=4 17780 B13R1.528 OC[C@H](O)COc1cccnc1Br 7a_100000744436_100009815848 [0,2,0,0,0,0|2,0,0]=4 17781 B13R1.528 OC[C@H](O)COc1cccnc1Cl 34a_100000757616_100009815848 [0,2,0,0,0,0|2,0,0]=4 17782 B13R1.528 OC[C@H](O)COc1cccnc1Cl 7a_100000757616_100009815848 [0,2,0,0,0,0|2,0,0]=4 17783 B13R1.528 OC[C@H](O)COc1cccnc1F 34a_100000061740_100009815848 [0,2,0,0,0,0|2,0,0]=4 17784 B13R1.528 OC[C@H](O)COc1cccnc1F 7a_100000061740_100009815848 [0,2,0,0,0,0|2,0,0]=4 17785 B13R1.528 OC[C@H](O)COc1cccnc1I 34a_100000034122_100009815848 [0,2,0,0,0,0|2,0,0]=4 17786 B13R1.528 OC[C@H](O)COc1cccnc1I 7a_100000034122_100009815848 [0,2,0,0,0,0|2,0,0]=4 17787 B13R1.528 OC[C@H](O)COc1ccncc1Br 34a_100011996408_100009815848 [0,2,0,0,0,0|2,0,0]=4 17788 B13R1.528 OC[C@H](O)COc1ccncc1Cl 34a_100011997054_100009815848 [0,2,0,0,0,0|2,0,0]=4 17789 B13R1.528 OC[C@H](O)COc1ccncc1F 34a_200000081243_100009815848 [0,2,0,0,0,0|2,0,0]=4 17790 B13R1.528 OC[C@H](O)COc1cnccc1Cl 34a_100011996695_100009815848 [0,2,0,0,0,0|2,0,0]=4 17791 B13R1.528 OC[C@H](O)COc1cnccc1I 34a_100000050107_100009815848 [0,2,0,0,0,0|2,0,0]=4 17792 B13R1.528 OC[C@H](O)COc1ncccc1Cl 34a_100011290957_100009815848 [0,2,0,0,0,0|2,0,0]=4 17793 B13R1.528 OC[C@H](O)COc1ncccc1F 34a_100011219419_100009815848 [0,2,0,0,0,0|2,0,0]=4 17794 B13R1.528 OC[C@H](O)CSc1c[nH]ccc1=S 62a_100009815848_200012280681 [0,2,0,0,0,0|2,0,0]=4 17795 B13R1.528 OC[C@H](O)CSc1c[nH]ccc1=S 62a_200012280681_100009815848 [0,2,0,0,0,0|2,0,0]=4 17796 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100000695589_100009815848 [0,2,0,0,0,0|1,0,0]=3 17797 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100009815848_100000695589 [0,2,0,0,0,0|1,0,0]=3 17798 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100000764095_100009815848 [0,2,0,0,0,0|1,0,0]=3 17799 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100009815848_100000764095 [0,2,0,0,0,0|1,0,0]=3 17800 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100009815848_100011215700 [0,2,0,0,0,0|1,0,0]=3 17801 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100011215700_100009815848 [0,2,0,0,0,0|1,0,0]=3 17802 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100000739446_100009815848 [0,2,0,0,0,0|1,0,0]=3 17803 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100009815848_100000739446 [0,2,0,0,0,0|1,0,0]=3 17804 B13R1.528 OC[C@H](O)CSc1cccnc1Br 62a_100009815848_100010202626 [0,2,0,0,0,0|2,0,0]=4 17805 B13R1.528 OC[C@H](O)CSc1cccnc1Br 62a_100010202626_100009815848 [0,2,0,0,0,0|2,0,0]=4 17806 B13R1.528 OC[C@H](O)CSc1cccnc1Cl 62a_100000036424_100009815848 [0,2,0,0,0,0|2,0,0]=4 17807 B13R1.528 OC[C@H](O)CSc1cccnc1Cl 62a_100009815848_100000036424 [0,2,0,0,0,0|2,0,0]=4 17808 B13R1.528 OC[C@H](O)CSc1cccnc1F 62a_100009815848_100009816115 [0,2,0,0,0,0|2,0,0]=4 17809 B13R1.528 OC[C@H](O)CSc1cccnc1F 62a_100009816115_100009815848 [0,2,0,0,0,0|2,0,0]=4 17810 B13R1.528 OC[C@H](O)CSc1cccnc1O 62a_100000760158_100009815848 [0,2,0,0,0,0|2,0,0]=4 17811 B13R1.528 OC[C@H](O)CSc1cccnc1O 62a_100009815848_100000760158 [0,2,0,0,0,0|2,0,0]=4 17812 B13R1.528 OC[C@H](O)CSc1ccncc1Br 62a_100000726257_100009815848 [0,2,0,0,0,0|2,0,0]=4 17813 B13R1.528 OC[C@H](O)CSc1ccncc1Br 62a_100009815848_100000726257 [0,2,0,0,0,0|2,0,0]=4 17814 B13R1.528 OC[C@H](O)CSc1ccncc1Cl 62a_100000708259_100009815848 [0,2,0,0,0,0|2,0,0]=4 17815 B13R1.528 OC[C@H](O)CSc1ccncc1Cl 62a_100009815848_100000708259 [0,2,0,0,0,0|2,0,0]=4 17816 B13R1.528 OC[C@H](O)CSc1ccncc1F 62a_100000047030_100009815848 [0,2,0,0,0,0|2,0,0]=4 17817 B13R1.528 OC[C@H](O)CSc1ccncc1F 62a_100009815848_100000047030 [0,2,0,0,0,0|2,0,0]=4 17818 B13R1.528 OC[C@H](O)CSc1ccncc1O 62a_100009815848_100009817591 [0,2,0,0,0,0|2,0,0]=4 17819 B13R1.528 OC[C@H](O)CSc1ccncc1O 62a_100009817591_100009815848 [0,2,0,0,0,0|2,0,0]=4 17820 B13R1.528 OC[C@H](O)CSc1cnccc1Br 62a_100009815848_100010138639 [0,2,0,0,0,0|2,0,0]=4 17821 B13R1.528 OC[C@H](O)CSc1cnccc1Br 62a_100010138639_100009815848 [0,2,0,0,0,0|2,0,0]=4 17822 B13R1.528 OC[C@H](O)CSc1cnccc1Cl 62a_100009815848_100009995489 [0,2,0,0,0,0|2,0,0]=4 17823 B13R1.528 OC[C@H](O)CSc1cnccc1Cl 62a_100009995489_100009815848 [0,2,0,0,0,0|2,0,0]=4 17824 B13R1.528 OC[C@H](O)CSc1cnccc1F 62a_100009815848_100009820683 [0,2,0,0,0,0|2,0,0]=4 17825 B13R1.528 OC[C@H](O)CSc1cnccc1F 62a_100009820683_100009815848 [0,2,0,0,0,0|2,0,0]=4 17826 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100000696092_100009815848 [0,2,0,0,0,0|2,0,0]=4 17827 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100009815848_100000696092 [0,2,0,0,0,0|2,0,0]=4 17828 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100009815848_100011356963 [0,2,0,0,0,0|2,0,0]=4 17829 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100011356963_100009815848 [0,2,0,0,0,0|2,0,0]=4 17830 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100000685392_100009815848 [0,2,0,0,0,0|2,0,0]=4 17831 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100009815848_100000685392 [0,2,0,0,0,0|2,0,0]=4 17832 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100000034122_100009815848 [0,2,0,0,0,0|2,0,0]=4 17833 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100009815848_100000034122 [0,2,0,0,0,0|2,0,0]=4 17834 B13R1.528 O[C@@H](CF)CNc1ccccc1Br 34a_100000210017_100015614560 [0,2,0,0,0,0|1,0,0]=3 17835 B13R1.528 O[C@@H](CF)CNc1ccccc1Cl 34a_100000185783_100015614560 [0,2,0,0,0,0|1,0,0]=3 17836 B13R1.528 O[C@@H](CF)CNc1ccccc1F 34a_100000210422_100015614560 [0,2,0,0,0,0|1,0,0]=3 17837 B13R1.528 O[C@@H](CF)CNc1ccccc1I 34a_100000210053_100015614560 [0,2,0,0,0,0|1,0,0]=3 17838 B13R1.528 O[C@@H](CF)COc1ccccc1Br 34a_100000181306_100015614560 [0,2,0,0,0,0|1,0,0]=3 17839 B13R1.528 O[C@@H](CF)COc1ccccc1Br 7a_100000181306_100015614560 [0,2,0,0,0,0|1,0,0]=3 17840 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 34a_100000210172_100015614560 [0,2,0,0,0,0|1,0,0]=3 17841 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 7a_100000210172_100015614560 [0,2,0,0,0,0|1,0,0]=3 17842 B13R1.528 O[C@@H](CF)COc1ccccc1F 34a_100000210171_100015614560 [0,2,0,0,0,0|1,0,0]=3 17843 B13R1.528 O[C@@H](CF)COc1ccccc1F 7a_100000210171_100015614560 [0,2,0,0,0,0|1,0,0]=3 17844 B13R1.528 O[C@@H](CF)COc1ccccc1I 34a_100000739446_100015614560 [0,2,0,0,0,0|1,0,0]=3 17845 B13R1.528 O[C@@H](CF)COc1ccccc1I 7a_100000739446_100015614560 [0,2,0,0,0,0|1,0,0]=3 17846 B13R1.528 O[C@@H](CF)COc1cccnc1Br 34a_100000744436_100015614560 [0,2,0,0,0,0|2,0,0]=4 17847 B13R1.528 O[C@@H](CF)COc1cccnc1Br 7a_100000744436_100015614560 [0,2,0,0,0,0|2,0,0]=4 17848 B13R1.528 O[C@@H](CF)COc1cccnc1Cl 34a_100000757616_100015614560 [0,2,0,0,0,0|2,0,0]=4 17849 B13R1.528 O[C@@H](CF)COc1cccnc1Cl 7a_100000757616_100015614560 [0,2,0,0,0,0|2,0,0]=4 17850 B13R1.528 O[C@@H](CF)COc1cccnc1F 34a_100000061740_100015614560 [0,2,0,0,0,0|2,0,0]=4 17851 B13R1.528 O[C@@H](CF)COc1cccnc1F 7a_100000061740_100015614560 [0,2,0,0,0,0|2,0,0]=4 17852 B13R1.528 O[C@@H](CF)COc1cccnc1I 34a_100000034122_100015614560 [0,2,0,0,0,0|2,0,0]=4 17853 B13R1.528 O[C@@H](CF)COc1cccnc1I 7a_100000034122_100015614560 [0,2,0,0,0,0|2,0,0]=4 17854 B13R1.528 O[C@@H](CF)COc1ccncc1Br 34a_100011996408_100015614560 [0,2,0,0,0,0|2,0,0]=4 17855 B13R1.528 O[C@@H](CF)COc1ccncc1Cl 34a_100011997054_100015614560 [0,2,0,0,0,0|2,0,0]=4 17856 B13R1.528 O[C@@H](CF)COc1ccncc1F 34a_200000081243_100015614560 [0,2,0,0,0,0|2,0,0]=4 17857 B13R1.528 O[C@@H](CF)COc1cnccc1Cl 34a_100011996695_100015614560 [0,2,0,0,0,0|2,0,0]=4 17858 B13R1.528 O[C@@H](CF)COc1cnccc1I 34a_100000050107_100015614560 [0,2,0,0,0,0|2,0,0]=4 17859 B13R1.528 O[C@@H](CF)COc1ncccc1Cl 34a_100011290957_100015614560 [0,2,0,0,0,0|2,0,0]=4 17860 B13R1.528 O[C@@H](CF)COc1ncccc1F 34a_100011219419_100015614560 [0,2,0,0,0,0|2,0,0]=4 17861 B13R1.528 O[C@@H](CF)CSc1c[nH]ccc1=S 62a_100015614560_200012280681 [0,2,0,0,0,0|2,0,0]=4 17862 B13R1.528 O[C@@H](CF)CSc1c[nH]ccc1=S 62a_200012280681_100015614560 [0,2,0,0,0,0|2,0,0]=4 17863 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100000695589_100015614560 [0,2,0,0,0,0|1,0,0]=3 17864 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100015614560_100000695589 [0,2,0,0,0,0|1,0,0]=3 17865 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100000764095_100015614560 [0,2,0,0,0,0|1,0,0]=3 17866 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100015614560_100000764095 [0,2,0,0,0,0|1,0,0]=3 17867 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100011215700_100015614560 [0,2,0,0,0,0|1,0,0]=3 17868 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100015614560_100011215700 [0,2,0,0,0,0|1,0,0]=3 17869 B13R1.528 O[C@@H](CF)CSc1cccnc1Br 62a_100010202626_100015614560 [0,2,0,0,0,0|2,0,0]=4 17870 B13R1.528 O[C@@H](CF)CSc1cccnc1Br 62a_100015614560_100010202626 [0,2,0,0,0,0|2,0,0]=4 17871 B13R1.528 O[C@@H](CF)CSc1cccnc1Cl 62a_100000036424_100015614560 [0,2,0,0,0,0|2,0,0]=4 17872 B13R1.528 O[C@@H](CF)CSc1cccnc1Cl 62a_100015614560_100000036424 [0,2,0,0,0,0|2,0,0]=4 17873 B13R1.528 O[C@@H](CF)CSc1cccnc1F 62a_100009816115_100015614560 [0,2,0,0,0,0|2,0,0]=4 17874 B13R1.528 O[C@@H](CF)CSc1cccnc1F 62a_100015614560_100009816115 [0,2,0,0,0,0|2,0,0]=4 17875 B13R1.528 O[C@@H](CF)CSc1ccncc1Br 62a_100000726257_100015614560 [0,2,0,0,0,0|2,0,0]=4 17876 B13R1.528 O[C@@H](CF)CSc1ccncc1Br 62a_100015614560_100000726257 [0,2,0,0,0,0|2,0,0]=4 17877 B13R1.528 O[C@@H](CF)CSc1ccncc1Cl 62a_100000708259_100015614560 [0,2,0,0,0,0|2,0,0]=4 17878 B13R1.528 O[C@@H](CF)CSc1ccncc1Cl 62a_100015614560_100000708259 [0,2,0,0,0,0|2,0,0]=4 17879 B13R1.528 O[C@@H](CF)CSc1ccncc1F 62a_100000047030_100015614560 [0,2,0,0,0,0|2,0,0]=4 17880 B13R1.528 O[C@@H](CF)CSc1ccncc1F 62a_100015614560_100000047030 [0,2,0,0,0,0|2,0,0]=4 17881 B13R1.528 O[C@@H](CF)CSc1cnccc1Br 62a_100010138639_100015614560 [0,2,0,0,0,0|2,0,0]=4 17882 B13R1.528 O[C@@H](CF)CSc1cnccc1Br 62a_100015614560_100010138639 [0,2,0,0,0,0|2,0,0]=4 17883 B13R1.528 O[C@@H](CF)CSc1cnccc1Cl 62a_100009995489_100015614560 [0,2,0,0,0,0|2,0,0]=4 17884 B13R1.528 O[C@@H](CF)CSc1cnccc1Cl 62a_100015614560_100009995489 [0,2,0,0,0,0|2,0,0]=4 17885 B13R1.528 O[C@@H](CF)CSc1cnccc1F 62a_100009820683_100015614560 [0,2,0,0,0,0|2,0,0]=4 17886 B13R1.528 O[C@@H](CF)CSc1cnccc1F 62a_100015614560_100009820683 [0,2,0,0,0,0|2,0,0]=4 17887 B13R1.528 O[C@@H](CF)CSc1ncccc1Br 62a_100000696092_100015614560 [0,2,0,0,0,0|2,0,0]=4 17888 B13R1.528 O[C@@H](CF)CSc1ncccc1Br 62a_100015614560_100000696092 [0,2,0,0,0,0|2,0,0]=4 17889 B13R1.528 O[C@@H](CF)CSc1ncccc1Cl 62a_100011356963_100015614560 [0,2,0,0,0,0|2,0,0]=4 17890 B13R1.528 O[C@@H](CF)CSc1ncccc1Cl 62a_100015614560_100011356963 [0,2,0,0,0,0|2,0,0]=4 17891 B13R1.528 O[C@@H](CF)CSc1ncccc1F 62a_100000685392_100015614560 [0,2,0,0,0,0|2,0,0]=4 17892 B13R1.528 O[C@@H](CF)CSc1ncccc1F 62a_100015614560_100000685392 [0,2,0,0,0,0|2,0,0]=4 17893 B13R1.528 Oc1ccccc1NC[C@@H](O)CF 34a_100000185747_100015614560 [0,2,0,0,0,0|1,0,0]=3 17894 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100000739446_100015614560 [0,2,0,0,0,0|1,0,0]=3 17895 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000739446 [0,2,0,0,0,0|1,0,0]=3 17896 B13R1.528 Oc1cccnc1SC[C@@H](O)CF 62a_100000034122_100015614560 [0,2,0,0,0,0|2,0,0]=4 17897 B13R1.528 Oc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000034122 [0,2,0,0,0,0|2,0,0]=4 17898 B13R1.528 Oc1cnccc1SC[C@@H](O)CF 62a_100009817591_100015614560 [0,2,0,0,0,0|2,0,0]=4 17899 B13R1.528 Oc1cnccc1SC[C@@H](O)CF 62a_100015614560_100009817591 [0,2,0,0,0,0|2,0,0]=4 17900 B13R1.528 Oc1ncccc1SC[C@@H](O)CF 62a_100000760158_100015614560 [0,2,0,0,0,0|2,0,0]=4 17901 B13R1.528 Oc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000760158 [0,2,0,0,0,0|2,0,0]=4 17902 B13R1.528 [O-][n+]1ccccc1OCC(O)CO 7a_100000211761_100011219619 [0,2,0,0,0,0|2,0,0]=4 17903 B13R1.528 [O-][n+]1ccccc1OC[C@@H](O)CF 7a_100000211761_100015614560 [0,2,0,0,0,0|2,0,0]=4 17904 B13R1.528 [O-][n+]1ccccc1OC[C@@H](O)CO 7a_100000211761_100009815848 [0,2,0,0,0,0|2,0,0]=4 17905 B13R1.528 [O-][n+]1ccccc1SCC(O)CO 62a_100011219619_200000042595 [0,2,0,0,0,0|2,0,0]=4 17906 B13R1.528 [O-][n+]1ccccc1SC[C@@H](O)CF 62a_100015614560_200000042595 [0,2,0,0,0,0|2,0,0]=4 17907 B13R1.528 [O-][n+]1ccccc1SC[C@@H](O)CO 62a_100009815848_200000042595 [0,2,0,0,0,0|2,0,0]=4 17908 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,2,0,0,0,0|0,0,2]=4 17909 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,2,0,0,0,0|0,0,2]=4 17910 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Br 1458a_100000210198_100000211773 [0,2,0,0,0,0|1,0,1]=4 17911 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210206 [0,2,0,0,0,0|1,0,1]=4 17912 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Cl 1458a_100000210198_100000181238 [0,2,0,0,0,0|1,0,1]=4 17913 B13R1.148 CC(C)C(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210206 [0,2,0,0,0,0|1,0,1]=4 17914 B13R1.148 CC(C)C(=O)Cc1cccc(c1)F 1458a_100000210198_100000230114 [0,2,0,0,0,0|1,0,1]=4 17915 B13R1.148 CC(C)C(=O)Cc1cccc(c1)F 1458a_100000211661_100000210206 [0,2,0,0,0,0|1,0,1]=4 17916 B13R1.148 CC(C)C(=O)Cc1cccc(c1)I 1458a_100000210198_100011218688 [0,2,0,0,0,0|1,0,1]=4 17917 B13R1.148 CC(C)C(=O)Cc1cccc(c1)I 1458a_100000238430_100000210206 [0,2,0,0,0,0|1,0,1]=4 17918 B13R1.148 CC(C)C(=O)Cc1cccc(c1)O 1458a_100000210198_100011660834 [0,2,0,0,0,0|1,0,1]=4 17919 B13R1.148 CC(C)C(=O)Cc1cccc(c1)O 1458a_100000745134_100000210206 [0,2,0,0,0,0|1,0,1]=4 17920 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 2230a_100000187585_100000210206 [0,2,0,0,0,0|2,0,0]=4 17921 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 2230a_100000195767_200000210301 [0,2,0,0,0,0|2,0,0]=4 17922 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 269982a_100000187585_100000210206 [0,2,0,0,0,0|2,0,0]=4 17923 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 269982a_100000195767_200000210301 [0,2,0,0,0,0|2,0,0]=4 17924 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 269982a_200000211004_100000211773 [0,2,0,0,0,0|2,0,0]=4 17925 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 270004a_200000211004_100000210085 [0,2,0,0,0,0|2,0,0]=4 17926 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 34a_100000195767_200000210301 [0,2,0,0,0,0|2,0,0]=4 17927 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 2230a_100000195774_200000210301 [0,2,0,0,0,0|2,0,0]=4 17928 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210206 [0,2,0,0,0,0|2,0,0]=4 17929 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 269982a_100000195774_200000210301 [0,2,0,0,0,0|2,0,0]=4 17930 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210206 [0,2,0,0,0,0|2,0,0]=4 17931 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 269982a_200000211004_100000181238 [0,2,0,0,0,0|2,0,0]=4 17932 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 270004a_200000211004_100000210801 [0,2,0,0,0,0|2,0,0]=4 17933 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 34a_100000195774_200000210301 [0,2,0,0,0,0|2,0,0]=4 17934 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 2230a_100000184398_100000210206 [0,2,0,0,0,0|2,0,0]=4 17935 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 2230a_100000195789_200000210301 [0,2,0,0,0,0|2,0,0]=4 17936 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 269982a_100000184398_100000210206 [0,2,0,0,0,0|2,0,0]=4 17937 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 269982a_100000195789_200000210301 [0,2,0,0,0,0|2,0,0]=4 17938 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 269982a_200000211004_100000230114 [0,2,0,0,0,0|2,0,0]=4 17939 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 270004a_200000211004_100000210812 [0,2,0,0,0,0|2,0,0]=4 17940 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 34a_100000184398_100000210206 [0,2,0,0,0,0|2,0,0]=4 17941 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 34a_100000195789_200000210301 [0,2,0,0,0,0|2,0,0]=4 17942 B13R1.148 CC(C)N(C)Cc1cccc(c1)I 269982a_200000211004_100011218688 [0,2,0,0,0,0|2,0,0]=4 17943 B13R1.148 CC(C)N(C)Cc1cccc(c1)I 270004a_200000211004_100000014684 [0,2,0,0,0,0|2,0,0]=4 17944 B13R1.148 CC(C)N(C)Cc1cccc(c1)O 2230a_100000207540_100000210206 [0,2,0,0,0,0|2,0,0]=4 17945 B13R1.148 CC(C)N(C)Cc1cccc(c1)O 269982a_100000207540_100000210206 [0,2,0,0,0,0|2,0,0]=4 17946 B13R1.148 CC(C)N(C)Cc1cccc(c1)O 269982a_200000211004_100000084143 [0,2,0,0,0,0|2,0,0]=4 17947 B13R1.148 CC(C)N(C)Cc1cccc(c1)O 270004a_200000211004_100000188321 [0,2,0,0,0,0|2,0,0]=4 17948 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Br 2230a_100000195767_200025704644 [0,2,0,0,0,0|2,0,0]=4 17949 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Br 269982a_100000195767_200025704644 [0,2,0,0,0,0|2,0,0]=4 17950 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Br 34a_100000195767_200025704644 [0,2,0,0,0,0|2,0,0]=4 17951 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Cl 2230a_100000195774_200025704644 [0,2,0,0,0,0|2,0,0]=4 17952 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Cl 269982a_100000195774_200025704644 [0,2,0,0,0,0|2,0,0]=4 17953 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Cl 34a_100000195774_200025704644 [0,2,0,0,0,0|2,0,0]=4 17954 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)F 2230a_100000195789_200025704644 [0,2,0,0,0,0|2,0,0]=4 17955 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)F 269982a_100000195789_200025704644 [0,2,0,0,0,0|2,0,0]=4 17956 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)F 34a_100000195789_200025704644 [0,2,0,0,0,0|2,0,0]=4 17957 B13R1.148 CC(Cc1cccc(c1)Br)N(C)C 270004a_100102631434_100000689217 [0,2,0,0,0,0|2,0,0]=4 17958 B13R1.148 CC(Cc1cccc(c1)Cl)N(C)C 270004a_100102631434_100000727212 [0,2,0,0,0,0|2,0,0]=4 17959 B13R1.148 CC(Cc1cccc(c1)F)N(C)C 270004a_100102631434_100000687711 [0,2,0,0,0,0|2,0,0]=4 17960 B13R1.148 CC(F)C(=O)Cc1cccc(c1)Br 1458a_100000062450_100000211773 [0,2,0,0,0,0|1,0,1]=4 17961 B13R1.148 CC(F)C(=O)Cc1cccc(c1)Cl 1458a_100000062450_100000181238 [0,2,0,0,0,0|1,0,1]=4 17962 B13R1.148 CC(F)C(=O)Cc1cccc(c1)F 1458a_100000062450_100000230114 [0,2,0,0,0,0|1,0,1]=4 17963 B13R1.148 CC(F)C(=O)Cc1cccc(c1)I 1458a_100000062450_100011218688 [0,2,0,0,0,0|1,0,1]=4 17964 B13R1.148 CC(F)C(=O)Cc1cccc(c1)O 1458a_100000062450_100011660834 [0,2,0,0,0,0|1,0,1]=4 17965 B13R1.148 C[C@@H](O)C(=O)Cc1cc(ccn1)Br 1458a_100000717761_100010173614 [0,2,0,0,0,0|1,0,1]=4 17966 B13R1.148 C[C@@H](O)C(=O)Cc1cc(ccn1)Cl 1458a_100000717761_100016988179 [0,2,0,0,0,0|1,0,1]=4 17967 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Br 1458a_100000717761_100000211773 [0,2,0,0,0,0|0,0,1]=3 17968 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Cl 1458a_100000717761_100000181238 [0,2,0,0,0,0|0,0,1]=3 17969 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)F 1458a_100000717761_100000230114 [0,2,0,0,0,0|0,0,1]=3 17970 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)I 1458a_100000717761_100011218688 [0,2,0,0,0,0|0,0,1]=3 17971 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)O 1458a_100000717761_100011660834 [0,2,0,0,0,0|0,0,1]=3 17972 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)Br 1458a_100000717761_100009889011 [0,2,0,0,0,0|1,0,1]=4 17973 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)Cl 1458a_100000717761_100000086093 [0,2,0,0,0,0|1,0,1]=4 17974 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(n1)F 1458a_100000717761_100009819644 [0,2,0,0,0,0|1,0,1]=4 17975 B13R1.148 C[C@@H](O)C(=O)Cc1ccnc(c1)Br 1458a_100000717761_100010243470 [0,2,0,0,0,0|1,0,1]=4 17976 B13R1.148 C[C@@H](O)C(=O)Cc1ccnc(c1)Cl 1458a_100000717761_100000764220 [0,2,0,0,0,0|1,0,1]=4 17977 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)Br 1458a_100000717761_100011740620 [0,2,0,0,0,0|1,0,1]=4 17978 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)Cl 1458a_100000717761_100016992070 [0,2,0,0,0,0|1,0,1]=4 17979 B13R1.148 C[C@@H](O)C(=O)Cc1cncc(c1)F 1458a_100000717761_100000725299 [0,2,0,0,0,0|1,0,1]=4 17980 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000717761 [0,2,0,0,0,0|1,0,1]=4 17981 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000717761 [0,2,0,0,0,0|1,0,1]=4 17982 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_100000717761 [0,2,0,0,0,0|1,0,1]=4 17983 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_100000717761 [0,2,0,0,0,0|1,0,1]=4 17984 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_100000717761 [0,2,0,0,0,0|1,0,1]=4 17985 B13R1.148 C[C@H](O)C(=O)Cc1cc(ccn1)Br 1458a_217856618621_100010173614 [0,2,0,0,0,0|1,0,1]=4 17986 B13R1.148 C[C@H](O)C(=O)Cc1cc(ccn1)Cl 1458a_217856618621_100016988179 [0,2,0,0,0,0|1,0,1]=4 17987 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Br 1458a_217856618621_100000211773 [0,2,0,0,0,0|0,0,1]=3 17988 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Cl 1458a_217856618621_100000181238 [0,2,0,0,0,0|0,0,1]=3 17989 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)F 1458a_217856618621_100000230114 [0,2,0,0,0,0|0,0,1]=3 17990 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)I 1458a_217856618621_100011218688 [0,2,0,0,0,0|0,0,1]=3 17991 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)O 1458a_217856618621_100011660834 [0,2,0,0,0,0|0,0,1]=3 17992 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)Br 1458a_217856618621_100009889011 [0,2,0,0,0,0|1,0,1]=4 17993 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)Cl 1458a_217856618621_100000086093 [0,2,0,0,0,0|1,0,1]=4 17994 B13R1.148 C[C@H](O)C(=O)Cc1cccc(n1)F 1458a_217856618621_100009819644 [0,2,0,0,0,0|1,0,1]=4 17995 B13R1.148 C[C@H](O)C(=O)Cc1ccnc(c1)Br 1458a_217856618621_100010243470 [0,2,0,0,0,0|1,0,1]=4 17996 B13R1.148 C[C@H](O)C(=O)Cc1ccnc(c1)Cl 1458a_217856618621_100000764220 [0,2,0,0,0,0|1,0,1]=4 17997 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)Br 1458a_217856618621_100011740620 [0,2,0,0,0,0|1,0,1]=4 17998 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)Cl 1458a_217856618621_100016992070 [0,2,0,0,0,0|1,0,1]=4 17999 B13R1.148 C[C@H](O)C(=O)Cc1cncc(c1)F 1458a_217856618621_100000725299 [0,2,0,0,0,0|1,0,1]=4 18000 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_217856618621 [0,2,0,0,0,0|1,0,1]=4 18001 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_217856618621 [0,2,0,0,0,0|1,0,1]=4 18002 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_217856618621 [0,2,0,0,0,0|1,0,1]=4 18003 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_217856618621 [0,2,0,0,0,0|1,0,1]=4 18004 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 1626a_100000210047_217856618621 [0,2,0,0,0,0|1,0,1]=4 18005 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_217856618621 [0,2,0,0,0,0|1,0,1]=4 18006 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 1626a_100000211102_217856618621 [0,2,0,0,0,0|1,0,1]=4 18007 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_217856618621 [0,2,0,0,0,0|1,0,1]=4 18008 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 1626a_100000210217_217856618621 [0,2,0,0,0,0|1,0,1]=4 18009 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_217856618621 [0,2,0,0,0,0|1,0,1]=4 18010 B13R1.148 Cc1cc(ccn1)CC(=O)[C@@H](C)O 1458a_100000717761_200020672517 [0,2,0,0,0,0|1,0,1]=4 18011 B13R1.148 Cc1cc(ccn1)CC(=O)[C@H](C)O 1458a_217856618621_200020672517 [0,2,0,0,0,0|1,0,1]=4 18012 B13R1.148 Cc1cccc(c1)CC(=O)C(C)C 1458a_100000210198_100000211840 [0,2,0,0,0,0|1,0,1]=4 18013 B13R1.148 Cc1cccc(c1)CC(=O)C(C)C 1458a_100011206899_100000210206 [0,2,0,0,0,0|1,0,1]=4 18014 B13R1.148 Cc1cccc(c1)CC(=O)C(C)F 1458a_100000062450_100000211840 [0,2,0,0,0,0|1,0,1]=4 18015 B13R1.148 Cc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100000211840 [0,2,0,0,0,0|1,0,1]=4 18016 B13R1.148 Cc1cccc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000211840 [0,2,0,0,0,0|0,0,1]=3 18017 B13R1.148 Cc1cccc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000211840 [0,2,0,0,0,0|0,0,1]=3 18018 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 2230a_100000195795_200000210301 [0,2,0,0,0,0|2,0,0]=4 18019 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 2230a_102495364743_100000210206 [0,2,0,0,0,0|2,0,0]=4 18020 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 269982a_100000195795_200000210301 [0,2,0,0,0,0|2,0,0]=4 18021 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 269982a_102495364743_100000210206 [0,2,0,0,0,0|2,0,0]=4 18022 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 269982a_200000211004_100000211840 [0,2,0,0,0,0|2,0,0]=4 18023 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 270004a_200000211004_100000211157 [0,2,0,0,0,0|2,0,0]=4 18024 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 34a_100000195795_200000210301 [0,2,0,0,0,0|2,0,0]=4 18025 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 34a_102495364743_100000210206 [0,2,0,0,0,0|2,0,0]=4 18026 B13R1.148 Cc1cccc(c1)CN([13CH3])C(C)C 2230a_100000195795_200025704644 [0,2,0,0,0,0|2,0,0]=4 18027 B13R1.148 Cc1cccc(c1)CN([13CH3])C(C)C 269982a_100000195795_200025704644 [0,2,0,0,0,0|2,0,0]=4 18028 B13R1.148 Cc1cccc(c1)CN([13CH3])C(C)C 34a_100000195795_200025704644 [0,2,0,0,0,0|2,0,0]=4 18029 B13R1.148 Cc1cccc(c1)NC(=O)[C@@H](C)O 22a_100000188690_100000717761 [0,2,0,0,0,0|1,0,1]=4 18030 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 1626a_100000188690_217856618621 [0,2,0,0,0,0|1,0,1]=4 18031 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 22a_100000188690_217856618621 [0,2,0,0,0,0|1,0,1]=4 18032 B13R1.148 Cc1cccc(n1)CC(=O)[C@@H](C)O 1458a_100000717761_100000757606 [0,2,0,0,0,0|1,0,1]=4 18033 B13R1.148 Cc1cccc(n1)CC(=O)[C@H](C)O 1458a_217856618621_100000757606 [0,2,0,0,0,0|1,0,1]=4 18034 B13R1.148 Cc1ccnc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000718516 [0,2,0,0,0,0|1,0,1]=4 18035 B13R1.148 Cc1ccnc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000718516 [0,2,0,0,0,0|1,0,1]=4 18036 B13R1.148 Cc1cncc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000716715 [0,2,0,0,0,0|1,0,1]=4 18037 B13R1.148 Cc1cncc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000716715 [0,2,0,0,0,0|1,0,1]=4 18038 B13R1.148 O=C(Cc1cccc(c1)Br)C(O)O 1458a_100000233687_100000211773 [0,2,0,0,0,0|1,0,1]=4 18039 B13R1.148 O=C(Cc1cccc(c1)Cl)C(O)O 1458a_100000233687_100000181238 [0,2,0,0,0,0|1,0,1]=4 18040 B13R1.148 O=C(Cc1cccc(c1)F)C(O)O 1458a_100000233687_100000230114 [0,2,0,0,0,0|1,0,1]=4 18041 B13R1.148 O=C(Cc1cccc(c1)I)C(O)O 1458a_100000233687_100011218688 [0,2,0,0,0,0|1,0,1]=4 18042 B13R1.148 O=C(Cc1cccc(c1)O)C(O)O 1458a_100000233687_100011660834 [0,2,0,0,0,0|1,0,1]=4 18043 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,2,0,0,0,0|0,0,2]=4 18044 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,2,0,0,0,0|0,0,2]=4 18045 B13R1.152 CC(C(=O)C(O)O)c1ccccc1 1458a_100000233687_100000230085 [0,2,0,0,0,0|1,0,1]=4 18046 B13R1.152 CC(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000230085 [0,2,0,0,0,0|0,0,1]=3 18047 B13R1.152 CC(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000230085 [0,2,0,0,0,0|0,0,1]=3 18048 B13R1.152 CC(C)C(=O)C(C)c1ccccc1 1458a_100000210198_100000230085 [0,2,0,0,0,0|1,0,1]=4 18049 B13R1.152 CC(C)C(=O)C(F)c1ccccc1 1458a_100000698975_100000210206 [0,2,0,0,0,0|1,0,1]=4 18050 B13R1.152 CC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210206 [0,2,0,0,0,0|1,0,1]=4 18051 B13R1.152 CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210206 [0,2,0,0,0,0|1,0,1]=4 18052 B13R1.152 CC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000210206 [0,2,0,0,0,0|2,0,0]=4 18053 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000210206 [0,2,0,0,0,0|2,0,0]=4 18054 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000218734_200000210301 [0,2,0,0,0,0|2,0,0]=4 18055 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_200000211004_100000230085 [0,2,0,0,0,0|2,0,0]=4 18056 B13R1.152 CC(C)N([13CH3])C(C)c1ccccc1 269982a_100000218734_200025704644 [0,2,0,0,0,0|2,0,0]=4 18057 B13R1.152 CC(F)C(=O)C(C)c1ccccc1 1458a_100000062450_100000230085 [0,2,0,0,0,0|1,0,1]=4 18058 B13R1.152 C[C@@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_100000717761 [0,2,0,0,0,0|1,0,1]=4 18059 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 1626a_100000210012_217856618621 [0,2,0,0,0,0|1,0,1]=4 18060 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_217856618621 [0,2,0,0,0,0|1,0,1]=4 18061 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,2,0,0,0,0|0,0,2]=4 18062 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,2,0,0,0,0|0,0,2]=4 18063 B13R1.202 CC(C)C(=O)Cc1ccccc1Br 1458a_100000210198_100000184730 [0,2,0,0,0,0|1,0,1]=4 18064 B13R1.202 CC(C)C(=O)Cc1ccccc1Br 1458a_100000751119_100000210206 [0,2,0,0,0,0|1,0,1]=4 18065 B13R1.202 CC(C)C(=O)Cc1ccccc1Cl 1458a_100000183793_100000210206 [0,2,0,0,0,0|1,0,1]=4 18066 B13R1.202 CC(C)C(=O)Cc1ccccc1Cl 1458a_100000210198_100000187162 [0,2,0,0,0,0|1,0,1]=4 18067 B13R1.202 CC(C)C(=O)Cc1ccccc1F 1458a_100000210198_100000187165 [0,2,0,0,0,0|1,0,1]=4 18068 B13R1.202 CC(C)C(=O)Cc1ccccc1F 1458a_100000212012_100000210206 [0,2,0,0,0,0|1,0,1]=4 18069 B13R1.202 CC(C)C(=O)Cc1ccccc1I 1458a_100000036491_100000210206 [0,2,0,0,0,0|1,0,1]=4 18070 B13R1.202 CC(C)C(=O)Cc1ccccc1I 1458a_100000210198_100011216222 [0,2,0,0,0,0|1,0,1]=4 18071 B13R1.202 CC(C)C(=O)Cc1ccccc1O 1458a_100000743006_100000210206 [0,2,0,0,0,0|1,0,1]=4 18072 B13R1.202 CC(C)N(C)Cc1ccccc1Br 2230a_100000184654_100000210206 [0,2,0,0,0,0|2,0,0]=4 18073 B13R1.202 CC(C)N(C)Cc1ccccc1Br 2230a_100000195800_200000210301 [0,2,0,0,0,0|2,0,0]=4 18074 B13R1.202 CC(C)N(C)Cc1ccccc1Br 269982a_100000184654_100000210206 [0,2,0,0,0,0|2,0,0]=4 18075 B13R1.202 CC(C)N(C)Cc1ccccc1Br 269982a_100000195800_200000210301 [0,2,0,0,0,0|2,0,0]=4 18076 B13R1.202 CC(C)N(C)Cc1ccccc1Br 269982a_200000211004_100000184730 [0,2,0,0,0,0|2,0,0]=4 18077 B13R1.202 CC(C)N(C)Cc1ccccc1Br 270004a_200000211004_100000211189 [0,2,0,0,0,0|2,0,0]=4 18078 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 2230a_100000184507_100000210206 [0,2,0,0,0,0|2,0,0]=4 18079 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 2230a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 18080 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_100000184507_100000210206 [0,2,0,0,0,0|2,0,0]=4 18081 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 18082 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_200000211004_100000187162 [0,2,0,0,0,0|2,0,0]=4 18083 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 270004a_200000211004_100000210073 [0,2,0,0,0,0|2,0,0]=4 18084 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 34a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 18085 B13R1.202 CC(C)N(C)Cc1ccccc1F 2230a_100000195788_200000210301 [0,2,0,0,0,0|2,0,0]=4 18086 B13R1.202 CC(C)N(C)Cc1ccccc1F 2230a_100000742528_100000210206 [0,2,0,0,0,0|2,0,0]=4 18087 B13R1.202 CC(C)N(C)Cc1ccccc1F 269982a_100000195788_200000210301 [0,2,0,0,0,0|2,0,0]=4 18088 B13R1.202 CC(C)N(C)Cc1ccccc1F 269982a_100000742528_100000210206 [0,2,0,0,0,0|2,0,0]=4 18089 B13R1.202 CC(C)N(C)Cc1ccccc1F 269982a_200000211004_100000211605 [0,2,0,0,0,0|2,0,0]=4 18090 B13R1.202 CC(C)N(C)Cc1ccccc1F 270004a_200000211004_100000210811 [0,2,0,0,0,0|2,0,0]=4 18091 B13R1.202 CC(C)N(C)Cc1ccccc1F 34a_100000195788_200000210301 [0,2,0,0,0,0|2,0,0]=4 18092 B13R1.202 CC(C)N(C)Cc1ccccc1F 34a_100000742528_100000210206 [0,2,0,0,0,0|2,0,0]=4 18093 B13R1.202 CC(C)N(C)Cc1ccccc1I 269982a_200000211004_100011215278 [0,2,0,0,0,0|2,0,0]=4 18094 B13R1.202 CC(C)N(C)Cc1ccccc1I 270004a_200000211004_100000010305 [0,2,0,0,0,0|2,0,0]=4 18095 B13R1.202 CC(C)N(C)Cc1ccccc1O 2230a_100015189988_100000210206 [0,2,0,0,0,0|2,0,0]=4 18096 B13R1.202 CC(C)N(C)Cc1ccccc1O 269982a_100015189988_100000210206 [0,2,0,0,0,0|2,0,0]=4 18097 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Br 2230a_100000195800_200025704644 [0,2,0,0,0,0|2,0,0]=4 18098 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Br 269982a_100000195800_200025704644 [0,2,0,0,0,0|2,0,0]=4 18099 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 2230a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 18100 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 269982a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 18101 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 34a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 18102 B13R1.202 CC(C)N([13CH3])Cc1ccccc1F 2230a_100000195788_200025704644 [0,2,0,0,0,0|2,0,0]=4 18103 B13R1.202 CC(C)N([13CH3])Cc1ccccc1F 269982a_100000195788_200025704644 [0,2,0,0,0,0|2,0,0]=4 18104 B13R1.202 CC(C)N([13CH3])Cc1ccccc1F 34a_100000195788_200025704644 [0,2,0,0,0,0|2,0,0]=4 18105 B13R1.202 CC(Cc1ccccc1Br)N(C)C 270004a_100102631434_100011350739 [0,2,0,0,0,0|2,0,0]=4 18106 B13R1.202 CC(Cc1ccccc1Cl)N(C)C 270004a_100102631434_100000758791 [0,2,0,0,0,0|2,0,0]=4 18107 B13R1.202 CC(Cc1ccccc1F)N(C)C 270004a_100102631434_100000709178 [0,2,0,0,0,0|2,0,0]=4 18108 B13R1.202 CC(F)C(=O)Cc1ccccc1Br 1458a_100000062450_100000184730 [0,2,0,0,0,0|1,0,1]=4 18109 B13R1.202 CC(F)C(=O)Cc1ccccc1Cl 1458a_100000062450_100000187162 [0,2,0,0,0,0|1,0,1]=4 18110 B13R1.202 CC(F)C(=O)Cc1ccccc1F 1458a_100000062450_100000187165 [0,2,0,0,0,0|1,0,1]=4 18111 B13R1.202 CC(F)C(=O)Cc1ccccc1I 1458a_100000062450_100011216222 [0,2,0,0,0,0|1,0,1]=4 18112 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Br 1458a_100000717761_100000184730 [0,2,0,0,0,0|0,0,1]=3 18113 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Cl 1458a_100000717761_100000187162 [0,2,0,0,0,0|0,0,1]=3 18114 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1F 1458a_100000717761_100000187165 [0,2,0,0,0,0|0,0,1]=3 18115 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1I 1458a_100000717761_100011216222 [0,2,0,0,0,0|0,0,1]=3 18116 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1Br 1458a_100000717761_100010140945 [0,2,0,0,0,0|1,0,1]=4 18117 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1Cl 1458a_100000717761_100000045678 [0,2,0,0,0,0|1,0,1]=4 18118 B13R1.202 C[C@@H](O)C(=O)Cc1cccnc1F 1458a_100000717761_100000099810 [0,2,0,0,0,0|1,0,1]=4 18119 B13R1.202 C[C@@H](O)C(=O)Cc1ccncc1Cl 1458a_100000717761_100000763264 [0,2,0,0,0,0|1,0,1]=4 18120 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1Br 1458a_100000717761_100025702911 [0,2,0,0,0,0|1,0,1]=4 18121 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1Cl 1458a_100000717761_100000099807 [0,2,0,0,0,0|1,0,1]=4 18122 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1F 1458a_100000717761_100000104219 [0,2,0,0,0,0|1,0,1]=4 18123 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1O 1458a_100000717761_200020655725 [0,2,0,0,0,0|1,0,1]=4 18124 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_100000717761 [0,2,0,0,0,0|1,0,1]=4 18125 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 22a_100000210422_100000717761 [0,2,0,0,0,0|1,0,1]=4 18126 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,2,0,0,0,0|1,0,1]=4 18127 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Br 1458a_217856618621_100000184730 [0,2,0,0,0,0|0,0,1]=3 18128 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Cl 1458a_217856618621_100000187162 [0,2,0,0,0,0|0,0,1]=3 18129 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1F 1458a_217856618621_100000187165 [0,2,0,0,0,0|0,0,1]=3 18130 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1I 1458a_217856618621_100011216222 [0,2,0,0,0,0|0,0,1]=3 18131 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1Br 1458a_217856618621_100010140945 [0,2,0,0,0,0|1,0,1]=4 18132 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1Cl 1458a_217856618621_100000045678 [0,2,0,0,0,0|1,0,1]=4 18133 B13R1.202 C[C@H](O)C(=O)Cc1cccnc1F 1458a_217856618621_100000099810 [0,2,0,0,0,0|1,0,1]=4 18134 B13R1.202 C[C@H](O)C(=O)Cc1ccncc1Cl 1458a_217856618621_100000763264 [0,2,0,0,0,0|1,0,1]=4 18135 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1Br 1458a_217856618621_100025702911 [0,2,0,0,0,0|1,0,1]=4 18136 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1Cl 1458a_217856618621_100000099807 [0,2,0,0,0,0|1,0,1]=4 18137 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1F 1458a_217856618621_100000104219 [0,2,0,0,0,0|1,0,1]=4 18138 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1O 1458a_217856618621_200020655725 [0,2,0,0,0,0|1,0,1]=4 18139 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Br 1626a_100000210017_217856618621 [0,2,0,0,0,0|1,0,1]=4 18140 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 1626a_100000185783_217856618621 [0,2,0,0,0,0|1,0,1]=4 18141 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_217856618621 [0,2,0,0,0,0|1,0,1]=4 18142 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 1626a_100000210422_217856618621 [0,2,0,0,0,0|1,0,1]=4 18143 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 22a_100000210422_217856618621 [0,2,0,0,0,0|1,0,1]=4 18144 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 1626a_100000210053_217856618621 [0,2,0,0,0,0|1,0,1]=4 18145 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,2,0,0,0,0|1,0,1]=4 18146 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000210198_100000211839 [0,2,0,0,0,0|1,0,1]=4 18147 B13R1.202 Cc1ccccc1CC(=O)C(C)C 1458a_100000212180_100000210206 [0,2,0,0,0,0|1,0,1]=4 18148 B13R1.202 Cc1ccccc1CC(=O)C(C)F 1458a_100000062450_100000211839 [0,2,0,0,0,0|1,0,1]=4 18149 B13R1.202 Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000211839 [0,2,0,0,0,0|1,0,1]=4 18150 B13R1.202 Cc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000211839 [0,2,0,0,0,0|0,0,1]=3 18151 B13R1.202 Cc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000211839 [0,2,0,0,0,0|0,0,1]=3 18152 B13R1.202 Cc1ccccc1CC(C)N(C)C 270004a_100102631434_200000764500 [0,2,0,0,0,0|2,0,0]=4 18153 B13R1.202 Cc1ccccc1CN(C)C(C)C 2230a_100000184421_100000210206 [0,2,0,0,0,0|2,0,0]=4 18154 B13R1.202 Cc1ccccc1CN(C)C(C)C 2230a_100015184664_200000210301 [0,2,0,0,0,0|2,0,0]=4 18155 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_100000184421_100000210206 [0,2,0,0,0,0|2,0,0]=4 18156 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_100015184664_200000210301 [0,2,0,0,0,0|2,0,0]=4 18157 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_200000211004_100000211839 [0,2,0,0,0,0|2,0,0]=4 18158 B13R1.202 Cc1ccccc1CN(C)C(C)C 270004a_200000211004_100000211143 [0,2,0,0,0,0|2,0,0]=4 18159 B13R1.202 Cc1ccccc1CN(C)C(C)C 34a_100015184664_200000210301 [0,2,0,0,0,0|2,0,0]=4 18160 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 2230a_100015184664_200025704644 [0,2,0,0,0,0|2,0,0]=4 18161 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 269982a_100015184664_200025704644 [0,2,0,0,0,0|2,0,0]=4 18162 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 34a_100015184664_200025704644 [0,2,0,0,0,0|2,0,0]=4 18163 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 22a_100015192222_100000717761 [0,2,0,0,0,0|1,0,1]=4 18164 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 1626a_100015192222_217856618621 [0,2,0,0,0,0|1,0,1]=4 18165 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 22a_100015192222_217856618621 [0,2,0,0,0,0|1,0,1]=4 18166 B13R1.202 Cc1cccnc1CC(=O)[C@@H](C)O 1458a_100000717761_100000696600 [0,2,0,0,0,0|1,0,1]=4 18167 B13R1.202 Cc1cccnc1CC(=O)[C@H](C)O 1458a_217856618621_100000696600 [0,2,0,0,0,0|1,0,1]=4 18168 B13R1.202 Cc1ccncc1CC(=O)[C@@H](C)O 1458a_100000717761_100000690890 [0,2,0,0,0,0|1,0,1]=4 18169 B13R1.202 Cc1ccncc1CC(=O)[C@H](C)O 1458a_217856618621_100000690890 [0,2,0,0,0,0|1,0,1]=4 18170 B13R1.202 Cc1cnccc1CC(=O)[C@@H](C)O 1458a_100000717761_100020672808 [0,2,0,0,0,0|1,0,1]=4 18171 B13R1.202 Cc1cnccc1CC(=O)[C@H](C)O 1458a_217856618621_100020672808 [0,2,0,0,0,0|1,0,1]=4 18172 B13R1.202 Cc1ncccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000732876 [0,2,0,0,0,0|1,0,1]=4 18173 B13R1.202 Cc1ncccc1CC(=O)[C@H](C)O 1458a_217856618621_100000732876 [0,2,0,0,0,0|1,0,1]=4 18174 B13R1.202 O=C(Cc1ccccc1Br)C(O)O 1458a_100000233687_100000184730 [0,2,0,0,0,0|1,0,1]=4 18175 B13R1.202 O=C(Cc1ccccc1Cl)C(O)O 1458a_100000233687_100000187162 [0,2,0,0,0,0|1,0,1]=4 18176 B13R1.202 O=C(Cc1ccccc1F)C(O)O 1458a_100000233687_100000187165 [0,2,0,0,0,0|1,0,1]=4 18177 B13R1.202 O=C(Cc1ccccc1I)C(O)O 1458a_100000233687_100011216222 [0,2,0,0,0,0|1,0,1]=4 18178 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,2,0,0,0,0|0,0,2]=4 18179 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,2,0,0,0,0|0,0,2]=4 18180 B13R1.353 CC(C)(C)C(=O)Cc1ccccc1 1458a_106744555173_100015291786 [0,2,0,0,0,0|1,0,1]=4 18181 B13R1.353 CC(C)(C)N([13CH3])Cc1ccccc1 2230a_100000180882_200025704644 [0,2,0,0,0,0|2,0,0]=4 18182 B13R1.353 CC(C)(C)N([13CH3])Cc1ccccc1 269982a_100000180882_200025704644 [0,2,0,0,0,0|2,0,0]=4 18183 B13R1.353 CC(C)(F)C(=O)Cc1ccccc1 1458a_100000765255_100015291786 [0,2,0,0,0,0|1,0,1]=4 18184 B13R1.353 CC(C)(O)C(=O)Cc1ccccc1 1458a_100000242741_100015291786 [0,2,0,0,0,0|0,0,1]=3 18185 B13R1.353 CC(C)(O)C(=O)Cc1ccccn1 1458a_100000242741_100000721315 [0,2,0,0,0,0|1,0,1]=4 18186 B13R1.353 CC(C)(O)C(=O)Cc1cccnc1 1458a_100000242741_100000733263 [0,2,0,0,0,0|1,0,1]=4 18187 B13R1.353 CC(C)(O)C(=O)Cc1ccncc1 1458a_100000242741_100000705612 [0,2,0,0,0,0|1,0,1]=4 18188 B13R1.353 CC(C)(O)C(=O)Nc1ccccc1 22a_100000106764_100000242741 [0,2,0,0,0,0|1,0,1]=4 18189 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 2230a_100000180882_200000210301 [0,2,0,0,0,0|2,0,0]=4 18190 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 269982a_100000180882_200000210301 [0,2,0,0,0,0|2,0,0]=4 18191 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 269982a_100000186898_100000210625 [0,2,0,0,0,0|2,0,0]=4 18192 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 269982a_100011215553_100000211182 [0,2,0,0,0,0|2,0,0]=4 18193 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 270004a_100011215553_100015611070 [0,2,0,0,0,0|2,0,0]=4 18194 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [0,2,0,0,0,0|0,0,2]=4 18195 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [0,2,0,0,0,0|0,0,2]=4 18196 B13R1.418 CC(C)N(CF)Cc1ccccc1 269982a_100000068392_100015361967 [0,2,0,0,0,0|2,0,0]=4 18197 B13R1.418 CCC(Cc1ccccc1)N(C)C 270004a_100102631434_100000212045 [0,2,0,0,0,0|2,0,0]=4 18198 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000068392_100000210202 [0,2,0,0,0,0|2,0,0]=4 18199 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000186914_100000210206 [0,2,0,0,0,0|2,0,0]=4 18200 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000223864_100015291786 [0,2,0,0,0,0|2,0,0]=4 18201 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000068392_100000204670 [0,2,0,0,0,0|2,0,0]=4 18202 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000186914_100000210206 [0,2,0,0,0,0|2,0,0]=4 18203 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000223864_100000211182 [0,2,0,0,0,0|2,0,0]=4 18204 B13R1.418 CCN(Cc1ccccc1)C(C)C 270004a_100000223864_100015611070 [0,2,0,0,0,0|2,0,0]=4 18205 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_200000210301 [0,2,0,0,0,0|2,0,0]=4 18206 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_200000210301 [0,2,0,0,0,0|2,0,0]=4 18207 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 2230a_100016995599_200025704644 [0,2,0,0,0,0|2,0,0]=4 18208 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 269982a_100016995599_200025704644 [0,2,0,0,0,0|2,0,0]=4 18209 B13R1.418 CNC(Cc1ccccc1)C(C)C 270004a_106832991635_200000703227 [0,2,0,0,0,0|1,0,0]=3 18210 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [0,2,0,0,0,0|0,0,2]=4 18211 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [0,2,0,0,0,0|0,0,2]=4 18212 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [0,2,0,0,0,0|0,0,2]=4 18213 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,2,0,0,0,0|0,0,2]=4 18214 B13R1.147 CC(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000210624 [0,2,0,0,0,0|1,0,1]=4 18215 B13R1.147 CC(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210624 [0,2,0,0,0,0|1,0,1]=4 18216 B13R1.147 CC(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000210624 [0,2,0,0,0,0|1,0,1]=4 18217 B13R1.147 CC(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000210624 [0,2,0,0,0,0|1,0,1]=4 18218 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000210624 [0,2,0,0,0,0|1,0,1]=4 18219 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 271570a_203496583355_100000723889 [0,2,0,0,0,0|1,0,1]=4 18220 B13R1.147 CC(C)CN(C)c1cccc(c1)Br 2230a_100000219648_100000210760 [0,2,0,0,0,0|2,0,0]=4 18221 B13R1.147 CC(C)CN(C)c1cccc(c1)Br 269982a_100000219648_100000210624 [0,2,0,0,0,0|2,0,0]=4 18222 B13R1.147 CC(C)CN(C)c1cccc(c1)Br 34a_100000219648_100000210624 [0,2,0,0,0,0|2,0,0]=4 18223 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000210760 [0,2,0,0,0,0|2,0,0]=4 18224 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 2230a_100015204621_200000210301 [0,2,0,0,0,0|2,0,0]=4 18225 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000210624 [0,2,0,0,0,0|2,0,0]=4 18226 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 269982a_100015204621_200000210301 [0,2,0,0,0,0|2,0,0]=4 18227 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 34a_100000220044_100000210624 [0,2,0,0,0,0|2,0,0]=4 18228 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 34a_100015204621_200000210301 [0,2,0,0,0,0|2,0,0]=4 18229 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 7a_100015204621_200000210301 [0,2,0,0,0,0|2,0,0]=4 18230 B13R1.147 CC(C)CN(C)c1cccc(c1)F 2230a_100020633736_100000210760 [0,2,0,0,0,0|2,0,0]=4 18231 B13R1.147 CC(C)CN(C)c1cccc(c1)F 269982a_100020633736_100000210624 [0,2,0,0,0,0|2,0,0]=4 18232 B13R1.147 CC(C)CN(C)c1cccc(c1)F 34a_100020633736_100000210624 [0,2,0,0,0,0|2,0,0]=4 18233 B13R1.147 CC(C)CN(C)c1cccc(c1)I 2230a_100000221217_100000210760 [0,2,0,0,0,0|2,0,0]=4 18234 B13R1.147 CC(C)CN(C)c1cccc(c1)I 269982a_100000221217_100000210624 [0,2,0,0,0,0|2,0,0]=4 18235 B13R1.147 CC(C)CN(C)c1cccc(c1)I 34a_100000221217_100000210624 [0,2,0,0,0,0|2,0,0]=4 18236 B13R1.147 CC(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000210760 [0,2,0,0,0,0|2,0,0]=4 18237 B13R1.147 CC(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000210624 [0,2,0,0,0,0|2,0,0]=4 18238 B13R1.147 CC(C)CN(C)c1cccc(c1)O 34a_100000756613_100000210624 [0,2,0,0,0,0|2,0,0]=4 18239 B13R1.147 CC(C)CN([13CH3])c1cccc(c1)Cl 2230a_100015204621_200025704644 [0,2,0,0,0,0|2,0,0]=4 18240 B13R1.147 CC(C)CN([13CH3])c1cccc(c1)Cl 269982a_100015204621_200025704644 [0,2,0,0,0,0|2,0,0]=4 18241 B13R1.147 CC(C)CN([13CH3])c1cccc(c1)Cl 34a_100015204621_200025704644 [0,2,0,0,0,0|2,0,0]=4 18242 B13R1.147 CC(C)CN([13CH3])c1cccc(c1)Cl 7a_100015204621_200025704644 [0,2,0,0,0,0|2,0,0]=4 18243 B13R1.147 CC(C)C[C@H](N)c1cc(ccn1)Cl 271570a_100015190218_100010167805 [0,2,0,0,0,0|2,0,0]=4 18244 B13R1.147 CC(C)C[C@H](N)c1cc(ccn1)F 271570a_100015190218_100009817058 [0,2,0,0,0,0|2,0,0]=4 18245 B13R1.147 CC(C)C[C@H](N)c1cc(ccn1)N 271570a_100015190218_100009814236 [0,2,0,0,0,0|2,0,0]=4 18246 B13R1.147 CC(C)C[C@H](N)c1cc(ccn1)O 271570a_100015190218_100000762945 [0,2,0,0,0,0|2,0,0]=4 18247 B13R1.147 CC(C)C[C@H](N)c1cc[nH]c(=O)c1 271570a_100015190218_100009816521 [0,2,0,0,0,0|2,0,0]=4 18248 B13R1.147 CC(C)C[C@H](N)c1ccc[n+](c1)C 271570a_100015190218_100009996589 [0,2,0,0,0,0|2,0,0]=4 18249 B13R1.147 CC(C)C[C@H](N)c1ccc[n+](c1)[O-] 271570a_100015190218_100009815978 [0,2,0,0,0,0|2,0,0]=4 18250 B13R1.147 CC(C)C[C@H](N)c1cccc(=O)[nH]1 271570a_100015190218_100000761760 [0,2,0,0,0,0|2,0,0]=4 18251 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Br 271570a_100015190218_100000691529 [0,2,0,0,0,0|1,0,0]=3 18252 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Cl 271570a_100015190218_100000699651 [0,2,0,0,0,0|1,0,0]=3 18253 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)F 271570a_100015190218_100000685547 [0,2,0,0,0,0|1,0,0]=3 18254 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)N 271570a_100015190218_100000210019 [0,2,0,0,0,0|1,0,0]=3 18255 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [0,2,0,0,0,0|1,0,0]=3 18256 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)[S] 271570a_100015190218_114929384022 [0,2,0,0,0,0|1,0,0]=3 18257 B13R1.147 CC(C)C[C@H](N)c1cccc(n1)Br 271570a_100015190218_100000684672 [0,2,0,0,0,0|2,0,0]=4 18258 B13R1.147 CC(C)C[C@H](N)c1cccc(n1)F 271570a_100015190218_100009815982 [0,2,0,0,0,0|2,0,0]=4 18259 B13R1.147 CC(C)C[C@H](N)c1cccc(n1)N 271570a_100015190218_100000740741 [0,2,0,0,0,0|2,0,0]=4 18260 B13R1.147 CC(C)C[C@H](N)c1ccnc(c1)Br 271570a_100015190218_100009814637 [0,2,0,0,0,0|2,0,0]=4 18261 B13R1.147 CC(C)C[C@H](N)c1ccnc(c1)Cl 271570a_100015190218_100000035001 [0,2,0,0,0,0|2,0,0]=4 18262 B13R1.147 CC(C)C[C@H](N)c1ccnc(c1)F 271570a_100015190218_100009816116 [0,2,0,0,0,0|2,0,0]=4 18263 B13R1.147 CC(C)C[C@H](N)c1ccnc(c1)N 271570a_100015190218_100000744379 [0,2,0,0,0,0|2,0,0]=4 18264 B13R1.147 CC(C)C[C@H](N)c1cncc(c1)Br 271570a_100015190218_100000728054 [0,2,0,0,0,0|2,0,0]=4 18265 B13R1.147 CC(C)C[C@H](N)c1cncc(c1)Cl 271570a_100015190218_100000049639 [0,2,0,0,0,0|2,0,0]=4 18266 B13R1.147 CC(C)C[C@H](N)c1cncc(c1)F 271570a_100015190218_100000744099 [0,2,0,0,0,0|2,0,0]=4 18267 B13R1.147 CC(C)C[C@H](N)c1cncc(c1)N 271570a_100015190218_100000687067 [0,2,0,0,0,0|2,0,0]=4 18268 B13R1.147 CC(C)C[C@H](N)c1cncc(c1)O 271570a_100015190218_100000754920 [0,2,0,0,0,0|2,0,0]=4 18269 B13R1.147 CC(C)NC(C)c1cccc(c1)Br 2230a_100020642005_100000210206 [0,2,0,0,0,0|2,0,0]=4 18270 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 2230a_100102723534_100000210206 [0,2,0,0,0,0|2,0,0]=4 18271 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 34a_100102723534_100000210206 [0,2,0,0,0,0|2,0,0]=4 18272 B13R1.147 CC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000210206 [0,2,0,0,0,0|2,0,0]=4 18273 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210206 [0,2,0,0,0,0|2,0,0]=4 18274 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 34a_100015193778_100000210206 [0,2,0,0,0,0|2,0,0]=4 18275 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100000210206 [0,2,0,0,0,0|2,0,0]=4 18276 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000210206 [0,2,0,0,0,0|2,0,0]=4 18277 B13R1.147 CC(C)OC(C)c1cccc(c1)F 34a_100000744526_100000210206 [0,2,0,0,0,0|2,0,0]=4 18278 B13R1.147 CC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000210206 [0,2,0,0,0,0|2,0,0]=4 18279 B13R1.147 CC(C)OC(C)c1cccc(c1)I 34a_100013085317_100000210206 [0,2,0,0,0,0|2,0,0]=4 18280 B13R1.147 CC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000210206 [0,2,0,0,0,0|2,0,0]=4 18281 B13R1.147 CC(C)OC(C)c1cccc(c1)N 34a_100011217120_100000210206 [0,2,0,0,0,0|2,0,0]=4 18282 B13R1.147 CC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000210206 [0,2,0,0,0,0|2,0,0]=4 18283 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210206 [0,2,0,0,0,0|2,0,0]=4 18284 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210206 [0,2,0,0,0,0|2,0,0]=4 18285 B13R1.147 CC(O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011218427 [0,2,0,0,0,0|0,0,1]=3 18286 B13R1.147 CC(O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011218427 [0,2,0,0,0,0|0,0,1]=3 18287 B13R1.147 CC(O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011218427 [0,2,0,0,0,0|0,0,1]=3 18288 B13R1.147 CC(O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011218427 [0,2,0,0,0,0|0,0,1]=3 18289 B13R1.147 CC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218427 [0,2,0,0,0,0|0,0,1]=3 18290 B13R1.147 CC(O)CN(C)c1cc(ccn1)F 27a_100000227577_100000764206 [0,2,0,0,0,0|2,0,0]=4 18291 B13R1.147 CC(O)CN(C)c1cc[nH]c(=O)c1 27a_100000227577_100000061649 [0,2,0,0,0,0|2,0,0]=4 18292 B13R1.147 CC(O)CN(C)c1cccc(c1)Br 2230a_100000219648_100011218427 [0,2,0,0,0,0|1,0,0]=3 18293 B13R1.147 CC(O)CN(C)c1cccc(c1)Br 269982a_100000219648_100011218427 [0,2,0,0,0,0|1,0,0]=3 18294 B13R1.147 CC(O)CN(C)c1cccc(c1)Br 34a_100000219648_100011218427 [0,2,0,0,0,0|1,0,0]=3 18295 B13R1.147 CC(O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100011218427 [0,2,0,0,0,0|1,0,0]=3 18296 B13R1.147 CC(O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100011218427 [0,2,0,0,0,0|1,0,0]=3 18297 B13R1.147 CC(O)CN(C)c1cccc(c1)Cl 34a_100000220044_100011218427 [0,2,0,0,0,0|1,0,0]=3 18298 B13R1.147 CC(O)CN(C)c1cccc(c1)F 2230a_100020633736_100011218427 [0,2,0,0,0,0|1,0,0]=3 18299 B13R1.147 CC(O)CN(C)c1cccc(c1)F 269982a_100020633736_100011218427 [0,2,0,0,0,0|1,0,0]=3 18300 B13R1.147 CC(O)CN(C)c1cccc(c1)F 34a_100020633736_100011218427 [0,2,0,0,0,0|1,0,0]=3 18301 B13R1.147 CC(O)CN(C)c1cccc(c1)I 2230a_100000221217_100011218427 [0,2,0,0,0,0|1,0,0]=3 18302 B13R1.147 CC(O)CN(C)c1cccc(c1)I 269982a_100000221217_100011218427 [0,2,0,0,0,0|1,0,0]=3 18303 B13R1.147 CC(O)CN(C)c1cccc(c1)I 34a_100000221217_100011218427 [0,2,0,0,0,0|1,0,0]=3 18304 B13R1.147 CC(O)CN(C)c1cccc(c1)O 2230a_100000756613_100011218427 [0,2,0,0,0,0|1,0,0]=3 18305 B13R1.147 CC(O)CN(C)c1cccc(c1)O 269982a_100000756613_100011218427 [0,2,0,0,0,0|1,0,0]=3 18306 B13R1.147 CC(O)CN(C)c1cccc(c1)O 34a_100000756613_100011218427 [0,2,0,0,0,0|1,0,0]=3 18307 B13R1.147 CC(O)CN(C)c1cccc(n1)F 27a_100000227577_100009815982 [0,2,0,0,0,0|2,0,0]=4 18308 B13R1.147 CC(O)CN(C)c1ccnc(c1)F 27a_100000227577_100009816116 [0,2,0,0,0,0|2,0,0]=4 18309 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [0,2,0,0,0,0|2,0,0]=4 18310 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [0,2,0,0,0,0|2,0,0]=4 18311 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [0,2,0,0,0,0|2,0,0]=4 18312 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [0,2,0,0,0,0|2,0,0]=4 18313 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [0,2,0,0,0,0|2,0,0]=4 18314 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [0,2,0,0,0,0|2,0,0]=4 18315 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [0,2,0,0,0,0|2,0,0]=4 18316 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [0,2,0,0,0,0|2,0,0]=4 18317 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Br 2230a_100000219648_100009817552 [0,2,0,0,0,0|1,0,0]=3 18318 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Br 269982a_100000219648_100009817552 [0,2,0,0,0,0|1,0,0]=3 18319 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Br 34a_100000219648_100009817552 [0,2,0,0,0,0|1,0,0]=3 18320 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100009817552 [0,2,0,0,0,0|1,0,0]=3 18321 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100009817552 [0,2,0,0,0,0|1,0,0]=3 18322 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Cl 34a_100000220044_100009817552 [0,2,0,0,0,0|1,0,0]=3 18323 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)F 2230a_100020633736_100009817552 [0,2,0,0,0,0|1,0,0]=3 18324 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)F 269982a_100020633736_100009817552 [0,2,0,0,0,0|1,0,0]=3 18325 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)F 34a_100020633736_100009817552 [0,2,0,0,0,0|1,0,0]=3 18326 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)I 2230a_100000221217_100009817552 [0,2,0,0,0,0|1,0,0]=3 18327 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)I 269982a_100000221217_100009817552 [0,2,0,0,0,0|1,0,0]=3 18328 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)I 34a_100000221217_100009817552 [0,2,0,0,0,0|1,0,0]=3 18329 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 2230a_100000756613_100009817552 [0,2,0,0,0,0|1,0,0]=3 18330 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 269982a_100000756613_100009817552 [0,2,0,0,0,0|1,0,0]=3 18331 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 34a_100000756613_100009817552 [0,2,0,0,0,0|1,0,0]=3 18332 B13R1.147 Cc1cc(ccn1)N(C)CC(C)O 27a_100000227577_100000758586 [0,2,0,0,0,0|2,0,0]=4 18333 B13R1.147 Cc1cc(ccn1)[C@@H](N)CC(C)C 271570a_100015190218_100000758586 [0,2,0,0,0,0|2,0,0]=4 18334 B13R1.147 Cc1cccc(c1)C(=O)CC(C)C 1458a_100000189346_100000210624 [0,2,0,0,0,0|1,0,1]=4 18335 B13R1.147 Cc1cccc(c1)C(=O)CC(C)O 1458a_100000189346_100011218427 [0,2,0,0,0,0|0,0,1]=3 18336 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 34a_100000757818_100000210206 [0,2,0,0,0,0|2,0,0]=4 18337 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 7a_100000757818_100000210206 [0,2,0,0,0,0|2,0,0]=4 18338 B13R1.147 Cc1cccc(c1)N(C)CC(C)C 2230a_100000219674_100000210760 [0,2,0,0,0,0|2,0,0]=4 18339 B13R1.147 Cc1cccc(c1)N(C)CC(C)C 269982a_100000219674_100000210624 [0,2,0,0,0,0|2,0,0]=4 18340 B13R1.147 Cc1cccc(c1)N(C)CC(C)C 34a_100000219674_100000210624 [0,2,0,0,0,0|2,0,0]=4 18341 B13R1.147 Cc1cccc(c1)N(C)CC(C)O 2230a_100000219674_100011218427 [0,2,0,0,0,0|1,0,0]=3 18342 B13R1.147 Cc1cccc(c1)N(C)CC(C)O 269982a_100000219674_100011218427 [0,2,0,0,0,0|1,0,0]=3 18343 B13R1.147 Cc1cccc(c1)N(C)CC(C)O 34a_100000219674_100011218427 [0,2,0,0,0,0|1,0,0]=3 18344 B13R1.147 Cc1cccc(c1)N(C)C[C@@H](C)O 2230a_100000219674_100009817552 [0,2,0,0,0,0|1,0,0]=3 18345 B13R1.147 Cc1cccc(c1)N(C)C[C@@H](C)O 269982a_100000219674_100009817552 [0,2,0,0,0,0|1,0,0]=3 18346 B13R1.147 Cc1cccc(c1)N(C)C[C@@H](C)O 34a_100000219674_100009817552 [0,2,0,0,0,0|1,0,0]=3 18347 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 2230a_100000698126_100000210206 [0,2,0,0,0,0|2,0,0]=4 18348 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 34a_100000698126_100000210206 [0,2,0,0,0,0|2,0,0]=4 18349 B13R1.147 Cc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100011215228 [0,2,0,0,0,0|1,0,0]=3 18350 B13R1.147 Cc1cccc(n1)[C@@H](N)CC(C)C 271570a_100015190218_100000742759 [0,2,0,0,0,0|2,0,0]=4 18351 B13R1.147 Cc1ccnc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100000750283 [0,2,0,0,0,0|2,0,0]=4 18352 B13R1.147 Cc1cncc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100000760492 [0,2,0,0,0,0|2,0,0]=4 18353 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,2,0,0,0,0|0,0,2]=4 18354 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [0,2,0,0,0,0|0,0,2]=4 18355 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [0,2,0,0,0,0|0,0,2]=4 18356 B13R1.201 CC(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000210624 [0,2,0,0,0,0|1,0,1]=4 18357 B13R1.201 CC(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000210624 [0,2,0,0,0,0|1,0,1]=4 18358 B13R1.201 CC(C)CC(=O)c1ccccc1F 1458a_100000188656_100000210624 [0,2,0,0,0,0|1,0,1]=4 18359 B13R1.201 CC(C)CC(=O)c1ccccc1I 1458a_100000187884_100000210624 [0,2,0,0,0,0|1,0,1]=4 18360 B13R1.201 CC(C)CC(=O)c1ccccc1O 1458a_100015234032_100000210624 [0,2,0,0,0,0|1,0,1]=4 18361 B13R1.201 CC(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000210624 [0,2,0,0,0,0|1,0,1]=4 18362 B13R1.201 CC(C)CN(C)c1ccccc1Br 2230a_100020606079_100000210760 [0,2,0,0,0,0|2,0,0]=4 18363 B13R1.201 CC(C)CN(C)c1ccccc1Br 269982a_100020606079_100000210624 [0,2,0,0,0,0|2,0,0]=4 18364 B13R1.201 CC(C)CN(C)c1ccccc1Br 34a_100020606079_100000210624 [0,2,0,0,0,0|2,0,0]=4 18365 B13R1.201 CC(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000210760 [0,2,0,0,0,0|2,0,0]=4 18366 B13R1.201 CC(C)CN(C)c1ccccc1Cl 2230a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 18367 B13R1.201 CC(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000210624 [0,2,0,0,0,0|2,0,0]=4 18368 B13R1.201 CC(C)CN(C)c1ccccc1Cl 269982a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 18369 B13R1.201 CC(C)CN(C)c1ccccc1Cl 34a_100000219374_100000210624 [0,2,0,0,0,0|2,0,0]=4 18370 B13R1.201 CC(C)CN(C)c1ccccc1Cl 34a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 18371 B13R1.201 CC(C)CN(C)c1ccccc1F 2230a_100000220357_100000210760 [0,2,0,0,0,0|2,0,0]=4 18372 B13R1.201 CC(C)CN(C)c1ccccc1F 269982a_100000220357_100000210624 [0,2,0,0,0,0|2,0,0]=4 18373 B13R1.201 CC(C)CN(C)c1ccccc1F 34a_100000220357_100000210624 [0,2,0,0,0,0|2,0,0]=4 18374 B13R1.201 CC(C)CN(C)c1ccccc1F 38a_100000220357_100000210624 [0,2,0,0,0,0|2,0,0]=4 18375 B13R1.201 CC(C)CN(C)c1ccccc1O 269982a_100000033821_100000210624 [0,2,0,0,0,0|2,0,0]=4 18376 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 2230a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 18377 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 269982a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 18378 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 34a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 18379 B13R1.201 CC(C)C[C@H](N)c1c[nH]ccc1=O 271570a_100015190218_100009998708 [0,2,0,0,0,0|2,0,0]=4 18380 B13R1.201 CC(C)C[C@H](N)c1c[nH]ccc1=S 271570a_100015190218_200012280681 [0,2,0,0,0,0|2,0,0]=4 18381 B13R1.201 CC(C)C[C@H](N)c1ccc[nH]c1=O 271570a_100015190218_100000050042 [0,2,0,0,0,0|2,0,0]=4 18382 B13R1.201 CC(C)C[C@H](N)c1cccc[n+]1C 271570a_100015190218_100000212160 [0,2,0,0,0,0|2,0,0]=4 18383 B13R1.201 CC(C)C[C@H](N)c1cccc[n+]1[O-] 271570a_100015190218_200000042595 [0,2,0,0,0,0|2,0,0]=4 18384 B13R1.201 CC(C)C[C@H](N)c1ccccc1Br 271570a_100015190218_100000695589 [0,2,0,0,0,0|1,0,0]=3 18385 B13R1.201 CC(C)C[C@H](N)c1ccccc1Cl 271570a_100015190218_100000764095 [0,2,0,0,0,0|1,0,0]=3 18386 B13R1.201 CC(C)C[C@H](N)c1ccccc1F 271570a_100015190218_100011215700 [0,2,0,0,0,0|1,0,0]=3 18387 B13R1.201 CC(C)C[C@H](N)c1ccccc1N 271570a_100015190218_100000210017 [0,2,0,0,0,0|1,0,0]=3 18388 B13R1.201 CC(C)C[C@H](N)c1ccccc1O 271570a_100015190218_100000739446 [0,2,0,0,0,0|1,0,0]=3 18389 B13R1.201 CC(C)C[C@H](N)c1cccnc1Br 271570a_100015190218_100010202626 [0,2,0,0,0,0|2,0,0]=4 18390 B13R1.201 CC(C)C[C@H](N)c1cccnc1Cl 271570a_100015190218_100000036424 [0,2,0,0,0,0|2,0,0]=4 18391 B13R1.201 CC(C)C[C@H](N)c1cccnc1F 271570a_100015190218_100009816115 [0,2,0,0,0,0|2,0,0]=4 18392 B13R1.201 CC(C)C[C@H](N)c1cccnc1N 271570a_100015190218_100000045569 [0,2,0,0,0,0|2,0,0]=4 18393 B13R1.201 CC(C)C[C@H](N)c1ccncc1Br 271570a_100015190218_100000726257 [0,2,0,0,0,0|2,0,0]=4 18394 B13R1.201 CC(C)C[C@H](N)c1ccncc1Cl 271570a_100015190218_100000708259 [0,2,0,0,0,0|2,0,0]=4 18395 B13R1.201 CC(C)C[C@H](N)c1ccncc1F 271570a_100015190218_100000047030 [0,2,0,0,0,0|2,0,0]=4 18396 B13R1.201 CC(C)C[C@H](N)c1ccncc1N 271570a_100015190218_100009815883 [0,2,0,0,0,0|2,0,0]=4 18397 B13R1.201 CC(C)C[C@H](N)c1ccncc1O 271570a_100015190218_100009817591 [0,2,0,0,0,0|2,0,0]=4 18398 B13R1.201 CC(C)C[C@H](N)c1cnccc1Br 271570a_100015190218_100010138639 [0,2,0,0,0,0|2,0,0]=4 18399 B13R1.201 CC(C)C[C@H](N)c1cnccc1Cl 271570a_100015190218_100009995489 [0,2,0,0,0,0|2,0,0]=4 18400 B13R1.201 CC(C)C[C@H](N)c1cnccc1F 271570a_100015190218_100009820683 [0,2,0,0,0,0|2,0,0]=4 18401 B13R1.201 CC(C)C[C@H](N)c1cnccc1N 271570a_100015190218_100000047001 [0,2,0,0,0,0|2,0,0]=4 18402 B13R1.201 CC(C)C[C@H](N)c1ncccc1Br 271570a_100015190218_100000696092 [0,2,0,0,0,0|2,0,0]=4 18403 B13R1.201 CC(C)C[C@H](N)c1ncccc1Cl 271570a_100015190218_100011356963 [0,2,0,0,0,0|2,0,0]=4 18404 B13R1.201 CC(C)C[C@H](N)c1ncccc1F 271570a_100015190218_100000685392 [0,2,0,0,0,0|2,0,0]=4 18405 B13R1.201 CC(C)C[C@H](N)c1ncccc1N 271570a_100015190218_100000688686 [0,2,0,0,0,0|2,0,0]=4 18406 B13R1.201 CC(C)C[C@H](N)c1ncccc1O 271570a_100015190218_100000034122 [0,2,0,0,0,0|2,0,0]=4 18407 B13R1.201 CC(C)NC(C)c1ccccc1Br 2230a_100000181357_100000210206 [0,2,0,0,0,0|2,0,0]=4 18408 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100000174978_100000210206 [0,2,0,0,0,0|2,0,0]=4 18409 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100138425928_100000181259 [0,2,0,0,0,0|2,0,0]=4 18410 B13R1.201 CC(C)NC(C)c1ccccc1Cl 34a_100000174978_100000210206 [0,2,0,0,0,0|2,0,0]=4 18411 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100000181408_100000210206 [0,2,0,0,0,0|2,0,0]=4 18412 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100138425928_200000741388 [0,2,0,0,0,0|2,0,0]=4 18413 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100000181408_100000210206 [0,2,0,0,0,0|2,0,0]=4 18414 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100138425928_200000741388 [0,2,0,0,0,0|2,0,0]=4 18415 B13R1.201 CC(C)N[C@H](C)c1ccccc1O 2230a_100025703389_100000210206 [0,2,0,0,0,0|2,0,0]=4 18416 B13R1.201 CC(C)OC(C)c1ccccc1Br 34a_100000702211_100000210206 [0,2,0,0,0,0|2,0,0]=4 18417 B13R1.201 CC(C)OC(C)c1ccccc1Br 7a_100000702211_100000210206 [0,2,0,0,0,0|2,0,0]=4 18418 B13R1.201 CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000210206 [0,2,0,0,0,0|2,0,0]=4 18419 B13R1.201 CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210206 [0,2,0,0,0,0|2,0,0]=4 18420 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000212225_200000741388 [0,2,0,0,0,0|2,0,0]=4 18421 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000697922_100000210206 [0,2,0,0,0,0|2,0,0]=4 18422 B13R1.201 CC(C)OC(C)c1ccccc1F 7a_100000697922_100000210206 [0,2,0,0,0,0|2,0,0]=4 18423 B13R1.201 CC(C)OC(C)c1ccccc1N 7a_100011405641_100000210206 [0,2,0,0,0,0|2,0,0]=4 18424 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000181259_100000210206 [0,2,0,0,0,0|2,0,0]=4 18425 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000210206_100000181259 [0,2,0,0,0,0|2,0,0]=4 18426 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_100000210206_200000741388 [0,2,0,0,0,0|2,0,0]=4 18427 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_200000741388_100000210206 [0,2,0,0,0,0|2,0,0]=4 18428 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [0,2,0,0,0,0|0,0,2]=4 18429 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [0,2,0,0,0,0|0,0,2]=4 18430 B13R1.201 CC(O)CC(=O)c1ccccc1Br 1458a_100000188424_100011218427 [0,2,0,0,0,0|0,0,1]=3 18431 B13R1.201 CC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218427 [0,2,0,0,0,0|0,0,1]=3 18432 B13R1.201 CC(O)CC(=O)c1ccccc1F 1458a_100000188656_100011218427 [0,2,0,0,0,0|0,0,1]=3 18433 B13R1.201 CC(O)CC(=O)c1ccccc1I 1458a_100000187884_100011218427 [0,2,0,0,0,0|0,0,1]=3 18434 B13R1.201 CC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218427 [0,2,0,0,0,0|0,0,1]=3 18435 B13R1.201 CC(O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011218427 [0,2,0,0,0,0|0,0,1]=3 18436 B13R1.201 CC(O)CN(C)c1ccccc1Br 2230a_100020606079_100011218427 [0,2,0,0,0,0|1,0,0]=3 18437 B13R1.201 CC(O)CN(C)c1ccccc1Br 269982a_100020606079_100011218427 [0,2,0,0,0,0|1,0,0]=3 18438 B13R1.201 CC(O)CN(C)c1ccccc1Br 34a_100020606079_100011218427 [0,2,0,0,0,0|1,0,0]=3 18439 B13R1.201 CC(O)CN(C)c1ccccc1Cl 2230a_100000219374_100011218427 [0,2,0,0,0,0|1,0,0]=3 18440 B13R1.201 CC(O)CN(C)c1ccccc1Cl 269982a_100000219374_100011218427 [0,2,0,0,0,0|1,0,0]=3 18441 B13R1.201 CC(O)CN(C)c1ccccc1Cl 34a_100000219374_100011218427 [0,2,0,0,0,0|1,0,0]=3 18442 B13R1.201 CC(O)CN(C)c1ccccc1F 2230a_100000220357_100011218427 [0,2,0,0,0,0|1,0,0]=3 18443 B13R1.201 CC(O)CN(C)c1ccccc1F 269982a_100000220357_100011218427 [0,2,0,0,0,0|1,0,0]=3 18444 B13R1.201 CC(O)CN(C)c1ccccc1F 34a_100000220357_100011218427 [0,2,0,0,0,0|1,0,0]=3 18445 B13R1.201 CC(O)CN(C)c1ccccc1F 38a_100000220357_100011218427 [0,2,0,0,0,0|1,0,0]=3 18446 B13R1.201 CC(O)CN(C)c1ccccc1O 269982a_100000033821_100011218427 [0,2,0,0,0,0|1,0,0]=3 18447 B13R1.201 CC(O)CN(C)c1ccncc1Br 27a_100000227577_100000726257 [0,2,0,0,0,0|2,0,0]=4 18448 B13R1.201 CC(O)CN(C)c1ccncc1F 27a_100000227577_100000035921 [0,2,0,0,0,0|2,0,0]=4 18449 B13R1.201 CC(O)CN(C)c1ncccc1Br 27a_100000227577_100000696092 [0,2,0,0,0,0|2,0,0]=4 18450 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Br 2230a_100020606079_100009817552 [0,2,0,0,0,0|1,0,0]=3 18451 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Br 269982a_100020606079_100009817552 [0,2,0,0,0,0|1,0,0]=3 18452 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Br 34a_100020606079_100009817552 [0,2,0,0,0,0|1,0,0]=3 18453 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 2230a_100000219374_100009817552 [0,2,0,0,0,0|1,0,0]=3 18454 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 269982a_100000219374_100009817552 [0,2,0,0,0,0|1,0,0]=3 18455 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 34a_100000219374_100009817552 [0,2,0,0,0,0|1,0,0]=3 18456 B13R1.201 C[C@@H](O)CN(C)c1ccccc1F 2230a_100000220357_100009817552 [0,2,0,0,0,0|1,0,0]=3 18457 B13R1.201 C[C@@H](O)CN(C)c1ccccc1F 269982a_100000220357_100009817552 [0,2,0,0,0,0|1,0,0]=3 18458 B13R1.201 C[C@@H](O)CN(C)c1ccccc1F 34a_100000220357_100009817552 [0,2,0,0,0,0|1,0,0]=3 18459 B13R1.201 C[C@@H](O)CN(C)c1ccccc1O 269982a_100000033821_100009817552 [0,2,0,0,0,0|1,0,0]=3 18460 B13R1.201 Cc1ccccc1C(=O)CC(C)C 1458a_100000212026_100000210624 [0,2,0,0,0,0|1,0,1]=4 18461 B13R1.201 Cc1ccccc1C(=O)CC(C)O 1458a_100000212026_100011218427 [0,2,0,0,0,0|0,0,1]=3 18462 B13R1.201 Cc1ccccc1C(C)NC(C)C 2230a_100000181355_100000210206 [0,2,0,0,0,0|2,0,0]=4 18463 B13R1.201 Cc1ccccc1C(C)NC(C)C 34a_100000181355_100000210206 [0,2,0,0,0,0|2,0,0]=4 18464 B13R1.201 Cc1ccccc1C(C)OC(C)C 34a_100000742021_100000210206 [0,2,0,0,0,0|2,0,0]=4 18465 B13R1.201 Cc1ccccc1C(C)OC(C)C 7a_100000742021_100000210206 [0,2,0,0,0,0|2,0,0]=4 18466 B13R1.201 Cc1ccccc1N(C)CC(C)C 2230a_100000219699_100000210760 [0,2,0,0,0,0|2,0,0]=4 18467 B13R1.201 Cc1ccccc1N(C)CC(C)C 269982a_100000219699_100000210624 [0,2,0,0,0,0|2,0,0]=4 18468 B13R1.201 Cc1ccccc1N(C)CC(C)C 34a_100000219699_100000210624 [0,2,0,0,0,0|2,0,0]=4 18469 B13R1.201 Cc1ccccc1N(C)CC(C)O 2230a_100000219699_100011218427 [0,2,0,0,0,0|1,0,0]=3 18470 B13R1.201 Cc1ccccc1N(C)CC(C)O 269982a_100000219699_100011218427 [0,2,0,0,0,0|1,0,0]=3 18471 B13R1.201 Cc1ccccc1N(C)CC(C)O 34a_100000219699_100011218427 [0,2,0,0,0,0|1,0,0]=3 18472 B13R1.201 Cc1ccccc1N(C)C[C@@H](C)O 2230a_100000219699_100009817552 [0,2,0,0,0,0|1,0,0]=3 18473 B13R1.201 Cc1ccccc1N(C)C[C@@H](C)O 269982a_100000219699_100009817552 [0,2,0,0,0,0|1,0,0]=3 18474 B13R1.201 Cc1ccccc1N(C)C[C@@H](C)O 34a_100000219699_100009817552 [0,2,0,0,0,0|1,0,0]=3 18475 B13R1.201 Cc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000210755 [0,2,0,0,0,0|1,0,0]=3 18476 B13R1.201 Cc1cccnc1[C@@H](N)CC(C)C 271570a_100015190218_100000751373 [0,2,0,0,0,0|2,0,0]=4 18477 B13R1.201 Cc1ccncc1[C@@H](N)CC(C)C 271570a_100015190218_100000761580 [0,2,0,0,0,0|2,0,0]=4 18478 B13R1.201 Cc1cnccc1N(C)CC(C)O 27a_100000227577_100000765111 [0,2,0,0,0,0|2,0,0]=4 18479 B13R1.201 Cc1cnccc1[C@@H](N)CC(C)C 271570a_100015190218_100015191297 [0,2,0,0,0,0|2,0,0]=4 18480 B13R1.201 Cc1ncccc1[C@@H](N)CC(C)C 271570a_100015190218_100000751574 [0,2,0,0,0,0|2,0,0]=4 18481 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_200000210301 [0,2,0,0,0,0|0,0,2]=4 18482 B13R1.347 CC(C)(CC(=O)[13CH3])c1ccccc1 1458a_100011409233_200025704644 [0,2,0,0,0,0|0,0,2]=4 18483 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100011218174_100000210206 [0,2,0,0,0,0|2,0,0]=4 18484 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100138425928_100000034625 [0,2,0,0,0,0|2,0,0]=4 18485 B13R1.347 CC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000210206 [0,2,0,0,0,0|2,0,0]=4 18486 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000034625_100000210206 [0,2,0,0,0,0|2,0,0]=4 18487 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000210206_100000034625 [0,2,0,0,0,0|2,0,0]=4 18488 B13R1.347 CC(C)SC(F)(F)c1ccccc1 62a_100000210206_100000036403 [0,2,0,0,0,0|2,0,0]=4 18489 B13R1.347 CN(C)CC(C)(C)c1ccccc1 269982a_100102631434_100000703224 [0,2,0,0,0,0|2,0,0]=4 18490 B13R1.347 CN(C)CC(C)(O)c1ccccc1 2230a_100011660921_200000210301 [0,2,0,0,0,0|2,0,0]=4 18491 B13R1.347 CN(C)CC(C)(O)c1ccccc1 269982a_100011660921_200000210301 [0,2,0,0,0,0|2,0,0]=4 18492 B13R1.347 CN(C)CC(F)(F)c1ccccc1 269982a_100102631434_100009875531 [0,2,0,0,0,0|2,0,0]=4 18493 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 2230a_100011660921_200025704644 [0,2,0,0,0,0|2,0,0]=4 18494 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 269982a_100011660921_200025704644 [0,2,0,0,0,0|2,0,0]=4 18495 B13R1.352 CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_100000230085 [0,2,0,0,0,0|2,0,0]=4 18496 B13R1.352 CC(OC(C)(C)C)c1ccccc1 34a_100015890283_100000211855 [0,2,0,0,0,0|2,0,0]=4 18497 B13R1.352 CC(OC(C)(C)C)c1ccccc1 7a_100015890283_100000230085 [0,2,0,0,0,0|2,0,0]=4 18498 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000211941_100000230085 [0,2,0,0,0,0|2,0,0]=4 18499 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000230085_100000211941 [0,2,0,0,0,0|2,0,0]=4 18500 B13R1.352 CN(CC(C)(C)C)c1ccccc1 34a_100000210012_100011219605 [0,2,0,0,0,0|2,0,0]=4 18501 B13R1.352 CN(CC(C)(C)F)c1ccccc1 34a_100000210012_100011997219 [0,2,0,0,0,0|2,0,0]=4 18502 B13R1.352 CN(CC(C)(C)O)c1ccccc1 34a_100000210012_100000764493 [0,2,0,0,0,0|1,0,0]=3 18503 B13R1.352 C[C@@H](OC(C)(C)C)c1ccccc1 34a_100000761318_100000210625 [0,2,0,0,0,0|2,0,0]=4 18504 B13R1.713 C#CC(OC(C)C)c1ccccc1 34a_100011219616_100000210206 [0,2,0,0,0,0|2,0,0]=4 18505 B13R1.713 C#CC(OC(C)C)c1ccccc1 7a_100011219616_100000210206 [0,2,0,0,0,0|2,0,0]=4 18506 B13R1.713 C=CC(NC(C)C)c1ccccc1 2230a_100138425928_200000085779 [0,2,0,0,0,0|2,0,0]=4 18507 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,2,0,0,0,0|2,0,0]=4 18508 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,2,0,0,0,0|2,0,0]=4 18509 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_100000210206_200000085779 [0,2,0,0,0,0|2,0,0]=4 18510 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_200000085779_100000210206 [0,2,0,0,0,0|2,0,0]=4 18511 B13R1.713 CC(=O)CC(C#N)c1ccccc1 1458a_200000079825_200000210301 [0,2,0,0,0,0|0,0,2]=4 18512 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,2,0,0,0,0|0,0,2]=4 18513 B13R1.713 CC(C)CC(N[13CH3])c1ccccn1 2230a_100159271263_200025704644 [0,2,0,0,0,0|2,0,0]=4 18514 B13R1.713 CC(C)CC(N[13CH3])c1cccnc1 2230a_200011351310_200025704644 [0,2,0,0,0,0|2,0,0]=4 18515 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,2,0,0,0,0|1,0,0]=3 18516 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 18517 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 18518 B13R1.713 CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000210206 [0,2,0,0,0,0|2,0,0]=4 18519 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,2,0,0,0,0|2,0,0]=4 18520 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,2,0,0,0,0|2,0,0]=4 18521 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 18522 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 18523 B13R1.713 CCC(CN(C)C)c1ccccc1 270004a_100102631434_100000753018 [0,2,0,0,0,0|2,0,0]=4 18524 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,2,0,0,0,0|2,0,0]=4 18525 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,2,0,0,0,0|2,0,0]=4 18526 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,2,0,0,0,0|2,0,0]=4 18527 B13R1.713 CCN(CC(C)C)c1ccccc1 2230a_100000210013_100000210760 [0,2,0,0,0,0|2,0,0]=4 18528 B13R1.713 CCN(CC(C)C)c1ccccc1 269982a_100000210013_100000210624 [0,2,0,0,0,0|2,0,0]=4 18529 B13R1.713 CCN(CC(C)C)c1ccccc1 34a_100000210013_100000210624 [0,2,0,0,0,0|2,0,0]=4 18530 B13R1.713 CCN(CC(C)O)c1ccccc1 2230a_100000210013_100011218427 [0,2,0,0,0,0|1,0,0]=3 18531 B13R1.713 CCN(CC(C)O)c1ccccc1 269982a_100000210013_100011218427 [0,2,0,0,0,0|1,0,0]=3 18532 B13R1.713 CCN(CC(C)O)c1ccccc1 34a_100000210013_100011218427 [0,2,0,0,0,0|1,0,0]=3 18533 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 2230a_100000210013_100009817552 [0,2,0,0,0,0|1,0,0]=3 18534 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 269982a_100000210013_100009817552 [0,2,0,0,0,0|1,0,0]=3 18535 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 34a_100000210013_100009817552 [0,2,0,0,0,0|1,0,0]=3 18536 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,2,0,0,0,0|1,0,0]=3 18537 B13R1.713 CNC(CC(C)C)c1ccccn1 2230a_100159271263_200000210301 [0,2,0,0,0,0|2,0,0]=4 18538 B13R1.713 CNC(CC(C)C)c1ccccn1 269862a_106832991636_100000685706 [0,2,0,0,0,0|2,0,0]=4 18539 B13R1.713 CNC(CC(C)C)c1cccnc1 2230a_200011351310_200000210301 [0,2,0,0,0,0|2,0,0]=4 18540 B13R1.713 CNC(CC(C)C)c1cccnc1 269862a_106832991636_100011350585 [0,2,0,0,0,0|2,0,0]=4 18541 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,2,0,0,0,0|1,0,1]=4 18542 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,2,0,0,0,0|1,0,0]=3 18543 B13R1.713 [13CH3]C(=O)CC(C#N)c1ccccc1 1458a_200000079825_200025704644 [0,2,0,0,0,0|0,0,2]=4 18544 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,2,0,0,0,0|0,0,2]=4 18545 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,2,0,0,0,0|1,0,1]=4 18546 B13R1.90 C#Cc1ccccc1CNC(C)C 34a_100020634229_100000210206 [0,2,0,0,0,0|2,0,0]=4 18547 B13R1.90 C#Cc1ccccc1COC(C)C 34a_100000054652_100000210206 [0,2,0,0,0,0|2,0,0]=4 18548 B13R1.90 C#Cc1ccccc1COC(C)C 7a_100000054652_100000210206 [0,2,0,0,0,0|2,0,0]=4 18549 B13R1.90 C#Cc1ccccc1NCC(C)C 34a_100011470550_100000210624 [0,2,0,0,0,0|2,0,0]=4 18550 B13R1.90 C#Cc1ccccc1NCC(C)O 34a_100011470550_100011218427 [0,2,0,0,0,0|1,0,0]=3 18551 B13R1.90 C#Cc1ccccc1NC[C@@H](C)O 34a_100011470550_100009817552 [0,2,0,0,0,0|1,0,0]=3 18552 B13R1.90 C#Cc1ccccc1OCC(C)C 34a_200011470546_100000210624 [0,2,0,0,0,0|2,0,0]=4 18553 B13R1.90 C#Cc1ccccc1OCC(C)C 7a_200011470546_100000210760 [0,2,0,0,0,0|2,0,0]=4 18554 B13R1.90 C#Cc1ccccc1OCC(C)O 34a_200011470546_100011218427 [0,2,0,0,0,0|1,0,0]=3 18555 B13R1.90 C#Cc1ccccc1OCC(C)O 7a_200011470546_100011218427 [0,2,0,0,0,0|1,0,0]=3 18556 B13R1.90 C#Cc1ccccc1OC[C@@H](C)O 34a_200011470546_100009817552 [0,2,0,0,0,0|1,0,0]=3 18557 B13R1.90 C#Cc1ccccc1OC[C@@H](C)O 7a_200011470546_100009817552 [0,2,0,0,0,0|1,0,0]=3 18558 B13R1.90 C=Cc1ccccc1CNC(C)C 271570a_100011290941_100000195800 [0,2,0,0,0,0|2,0,0]=4 18559 B13R1.90 C=Cc1ccccc1COC(C)C 34a_200010883148_100000210206 [0,2,0,0,0,0|2,0,0]=4 18560 B13R1.90 C=Cc1ccccc1COC(C)C 7a_200010883148_100000210206 [0,2,0,0,0,0|2,0,0]=4 18561 B13R1.90 C=Cc1ccccc1CSC(C)C 271570a_100011290941_200000173093 [0,2,0,0,0,0|2,0,0]=4 18562 B13R1.90 C=Cc1ccccc1NCC(C)C 34a_100012022501_100000210624 [0,2,0,0,0,0|2,0,0]=4 18563 B13R1.90 C=Cc1ccccc1NCC(C)O 34a_100012022501_100011218427 [0,2,0,0,0,0|1,0,0]=3 18564 B13R1.90 C=Cc1ccccc1NC[C@@H](C)O 34a_100012022501_100009817552 [0,2,0,0,0,0|1,0,0]=3 18565 B13R1.90 C=Cc1ccccc1SCC(C)C 62a_100000210624_100011218376 [0,2,0,0,0,0|2,0,0]=4 18566 B13R1.90 C=Cc1ccccc1SCC(C)C 62a_100011218376_100000210760 [0,2,0,0,0,0|2,0,0]=4 18567 B13R1.90 C=Cc1ccccc1SCC(C)O 62a_100011218376_100011218427 [0,2,0,0,0,0|1,0,0]=3 18568 B13R1.90 C=Cc1ccccc1SCC(C)O 62a_100011218427_100011218376 [0,2,0,0,0,0|1,0,0]=3 18569 B13R1.90 C=Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100011218376 [0,2,0,0,0,0|1,0,0]=3 18570 B13R1.90 C=Cc1ccccc1SC[C@@H](C)O 62a_100011218376_100009817552 [0,2,0,0,0,0|1,0,0]=3 18571 B13R1.90 CC(=O)CCc1ccccc1C#N 1458a_100000025266_200000210301 [0,2,0,0,0,0|0,0,2]=4 18572 B13R1.90 CC(=O)CCc1ccccc1C#N 1458a_100000070787_200013032965 [0,2,0,0,0,0|0,0,2]=4 18573 B13R1.90 CC(=O)CCc1ccccc1C=O 1458a_100000070787_100010186698 [0,2,0,0,0,0|0,0,2]=4 18574 B13R1.90 CC(C)CNc1ccccc1C#N 34a_100000211148_100000210624 [0,2,0,0,0,0|2,0,0]=4 18575 B13R1.90 CC(C)CNc1ccccc1CO 34a_100000212039_100000210624 [0,2,0,0,0,0|2,0,0]=4 18576 B13R1.90 CC(C)COc1ccccc1C#N 34a_100000211048_100000210624 [0,2,0,0,0,0|2,0,0]=4 18577 B13R1.90 CC(C)COc1ccccc1C#N 7a_100000211048_100000210760 [0,2,0,0,0,0|2,0,0]=4 18578 B13R1.90 CC(C)COc1ccccc1CN 34a_100000185550_100000210624 [0,2,0,0,0,0|2,0,0]=4 18579 B13R1.90 CC(C)COc1ccccc1CO 34a_100011216872_100000210624 [0,2,0,0,0,0|2,0,0]=4 18580 B13R1.90 CC(C)COc1ccccc1N[13CH3] 34a_100000742603_200025704644 [0,2,0,0,0,0|2,0,0]=4 18581 B13R1.90 CC(C)CSc1ccccc1C#N 62a_100000210624_100000188569 [0,2,0,0,0,0|2,0,0]=4 18582 B13R1.90 CC(C)CSc1ccccc1C=O 62a_100000210073_100000210760 [0,2,0,0,0,0|2,0,0]=4 18583 B13R1.90 CC(C)CSc1ccccc1C=O 62a_100000210624_100000210073 [0,2,0,0,0,0|2,0,0]=4 18584 B13R1.90 CC(C)CSc1ccccc1CN 62a_100000210624_100000689332 [0,2,0,0,0,0|2,0,0]=4 18585 B13R1.90 CC(C)CSc1ccccc1CN 62a_100000689332_100000210760 [0,2,0,0,0,0|2,0,0]=4 18586 B13R1.90 CC(C)CSc1ccccc1CO 62a_100000187465_100000210760 [0,2,0,0,0,0|2,0,0]=4 18587 B13R1.90 CC(C)CSc1ccccc1CO 62a_100000210624_100000187465 [0,2,0,0,0,0|2,0,0]=4 18588 B13R1.90 CC(C)CSc1ccccc1NN 62a_100000210624_100000241748 [0,2,0,0,0,0|2,0,0]=4 18589 B13R1.90 CC(C)CSc1ccccc1NN 62a_100000241748_100000210760 [0,2,0,0,0,0|2,0,0]=4 18590 B13R1.90 CC(C)NCc1ccccc1C#N 2230a_100138425928_100000181865 [0,2,0,0,0,0|2,0,0]=4 18591 B13R1.90 CC(C)NCc1ccccc1C#N 34a_100016989011_100000210206 [0,2,0,0,0,0|2,0,0]=4 18592 B13R1.90 CC(C)NCc1ccccc1C#N 34a_100138425928_100000181865 [0,2,0,0,0,0|2,0,0]=4 18593 B13R1.90 CC(C)NCc1ccccc1C=O 2230a_100138425928_200009853537 [0,2,0,0,0,0|2,0,0]=4 18594 B13R1.90 CC(C)NCc1ccccc1C=O 34a_100138425928_200009853537 [0,2,0,0,0,0|2,0,0]=4 18595 B13R1.90 CC(C)NCc1ccccc1CO 2230a_100138425928_100009816955 [0,2,0,0,0,0|2,0,0]=4 18596 B13R1.90 CC(C)NCc1ccccc1CO 34a_100138425928_100009816955 [0,2,0,0,0,0|2,0,0]=4 18597 B13R1.90 CC(C)NCc1ccccc1S[13CH3] 62a_100000195800_200025704644 [0,2,0,0,0,0|2,0,0]=4 18598 B13R1.90 CC(C)NCc1ccccc1S[13CH3] 62a_200025704644_100000195800 [0,2,0,0,0,0|2,0,0]=4 18599 B13R1.90 CC(C)OCc1ccccc1C#N 34a_100000212225_100000181865 [0,2,0,0,0,0|2,0,0]=4 18600 B13R1.90 CC(C)OCc1ccccc1C#N 34a_200011269968_100000210206 [0,2,0,0,0,0|2,0,0]=4 18601 B13R1.90 CC(C)OCc1ccccc1C#N 7a_200011269968_100000210206 [0,2,0,0,0,0|2,0,0]=4 18602 B13R1.90 CC(C)OCc1ccccc1C=O 34a_100000212225_200009853537 [0,2,0,0,0,0|2,0,0]=4 18603 B13R1.90 CC(C)OCc1ccccc1CBr 34a_100009816955_100000210206 [0,2,0,0,0,0|2,0,0]=4 18604 B13R1.90 CC(C)OCc1ccccc1CBr 7a_100009816955_100000210206 [0,2,0,0,0,0|2,0,0]=4 18605 B13R1.90 CC(C)OCc1ccccc1CN 34a_100000743596_100000210206 [0,2,0,0,0,0|2,0,0]=4 18606 B13R1.90 CC(C)OCc1ccccc1CO 34a_100000212225_100009816955 [0,2,0,0,0,0|2,0,0]=4 18607 B13R1.90 CC(C)SCc1ccccc1C#N 62a_100000186380_100000210206 [0,2,0,0,0,0|2,0,0]=4 18608 B13R1.90 CC(C)SCc1ccccc1C#N 62a_100000210206_100000181865 [0,2,0,0,0,0|2,0,0]=4 18609 B13R1.90 CC(C)SCc1ccccc1C=O 62a_100000210206_200009853537 [0,2,0,0,0,0|2,0,0]=4 18610 B13R1.90 CC(C)SCc1ccccc1C=O 62a_200009853537_100000210206 [0,2,0,0,0,0|2,0,0]=4 18611 B13R1.90 CC(C)SCc1ccccc1CO 62a_100000210206_100009816955 [0,2,0,0,0,0|2,0,0]=4 18612 B13R1.90 CC(C)SCc1ccccc1CO 62a_100009816955_100000210206 [0,2,0,0,0,0|2,0,0]=4 18613 B13R1.90 CC(C)SCc1ccccc1S[13CH3] 62a_200000173093_200025704644 [0,2,0,0,0,0|2,0,0]=4 18614 B13R1.90 CC(C)SCc1ccccc1S[13CH3] 62a_200025704644_200000173093 [0,2,0,0,0,0|2,0,0]=4 18615 B13R1.90 CC(O)C=Cc1ccccc1C#N 271570a_200011019289_100000188569 [0,2,0,0,0,0|0,0,2]=4 18616 B13R1.90 CC(O)C=Cc1ccccc1C=O 271570a_200011019289_100000211189 [0,2,0,0,0,0|0,0,2]=4 18617 B13R1.90 CC(O)C=Cc1ccccc1CN 271570a_200011019289_100000689332 [0,2,0,0,0,0|0,0,2]=4 18618 B13R1.90 CC(O)C=Cc1ccccc1CO 271570a_200011019289_100000187465 [0,2,0,0,0,0|0,0,2]=4 18619 B13R1.90 CC(O)C=Cc1ccccc1NN 271570a_200011019289_100000241748 [0,2,0,0,0,0|0,0,2]=4 18620 B13R1.90 CC(O)CNc1ccccc1C#N 34a_100000211148_100011218427 [0,2,0,0,0,0|1,0,0]=3 18621 B13R1.90 CC(O)CNc1ccccc1CO 34a_100000212039_100011218427 [0,2,0,0,0,0|1,0,0]=3 18622 B13R1.90 CC(O)CNc1ccncc1C#N 27a_100000210904_100000687039 [0,2,0,0,0,0|2,0,0]=4 18623 B13R1.90 CC(O)CNc1ccncc1CO 27a_100000210904_100000117392 [0,2,0,0,0,0|2,0,0]=4 18624 B13R1.90 CC(O)CNc1cnccc1C#N 27a_100000210904_100000684818 [0,2,0,0,0,0|2,0,0]=4 18625 B13R1.90 CC(O)CNc1ncccc1C#N 27a_100000210904_100000211984 [0,2,0,0,0,0|2,0,0]=4 18626 B13R1.90 CC(O)COc1ccccc1C#N 34a_100000211048_100011218427 [0,2,0,0,0,0|1,0,0]=3 18627 B13R1.90 CC(O)COc1ccccc1C#N 7a_100000211048_100011218427 [0,2,0,0,0,0|1,0,0]=3 18628 B13R1.90 CC(O)COc1ccccc1CN 34a_100000185550_100011218427 [0,2,0,0,0,0|1,0,0]=3 18629 B13R1.90 CC(O)COc1ccccc1CO 34a_100011216872_100011218427 [0,2,0,0,0,0|1,0,0]=3 18630 B13R1.90 CC(O)COc1cccnc1C#N 34a_100000722750_100011218427 [0,2,0,0,0,0|2,0,0]=4 18631 B13R1.90 CC(O)COc1cccnc1C#N 7a_100000722750_100011218427 [0,2,0,0,0,0|2,0,0]=4 18632 B13R1.90 CC(O)COc1cccnc1CBr 34a_200020655725_100011218427 [0,2,0,0,0,0|2,0,0]=4 18633 B13R1.90 CC(O)COc1cccnc1CBr 7a_200020655725_100011218427 [0,2,0,0,0,0|2,0,0]=4 18634 B13R1.90 CC(O)COc1cccnc1CO 34a_100000731849_100011218427 [0,2,0,0,0,0|2,0,0]=4 18635 B13R1.90 CC(O)COc1cnccc1C#N 7a_100012181322_100011218427 [0,2,0,0,0,0|2,0,0]=4 18636 B13R1.90 CC(O)COc1cnccc1CO 34a_100000078615_100011218427 [0,2,0,0,0,0|2,0,0]=4 18637 B13R1.90 CC(O)CSc1ccccc1C#N 62a_100011218427_100000188569 [0,2,0,0,0,0|1,0,0]=3 18638 B13R1.90 CC(O)CSc1ccccc1C=O 62a_100000210073_100011218427 [0,2,0,0,0,0|1,0,0]=3 18639 B13R1.90 CC(O)CSc1ccccc1C=O 62a_100011218427_100000210073 [0,2,0,0,0,0|1,0,0]=3 18640 B13R1.90 CC(O)CSc1ccccc1CN 62a_100000689332_100011218427 [0,2,0,0,0,0|1,0,0]=3 18641 B13R1.90 CC(O)CSc1ccccc1CN 62a_100011218427_100000689332 [0,2,0,0,0,0|1,0,0]=3 18642 B13R1.90 CC(O)CSc1ccccc1CO 62a_100000187465_100011218427 [0,2,0,0,0,0|1,0,0]=3 18643 B13R1.90 CC(O)CSc1ccccc1CO 62a_100011218427_100000187465 [0,2,0,0,0,0|1,0,0]=3 18644 B13R1.90 CC(O)CSc1ccccc1NN 62a_100000241748_100011218427 [0,2,0,0,0,0|1,0,0]=3 18645 B13R1.90 CC(O)CSc1ccccc1NN 62a_100011218427_100000241748 [0,2,0,0,0,0|1,0,0]=3 18646 B13R1.90 CC(O)CSc1cccnc1C#N 62a_100011218427_100000685805 [0,2,0,0,0,0|2,0,0]=4 18647 B13R1.90 CC(O)CSc1cccnc1C=O 62a_100011218427_100011934733 [0,2,0,0,0,0|2,0,0]=4 18648 B13R1.90 CC(O)CSc1cccnc1C=O 62a_100011934733_100011218427 [0,2,0,0,0,0|2,0,0]=4 18649 B13R1.90 CC(O)CSc1cccnc1CN 62a_100011218427_100020591323 [0,2,0,0,0,0|2,0,0]=4 18650 B13R1.90 CC(O)CSc1cccnc1CN 62a_100020591323_100011218427 [0,2,0,0,0,0|2,0,0]=4 18651 B13R1.90 CC(O)CSc1cccnc1CO 62a_100011218427_100011996772 [0,2,0,0,0,0|2,0,0]=4 18652 B13R1.90 CC(O)CSc1cccnc1CO 62a_100011996772_100011218427 [0,2,0,0,0,0|2,0,0]=4 18653 B13R1.90 CC(O)CSc1cccnc1NN 62a_100011218427_100011464834 [0,2,0,0,0,0|2,0,0]=4 18654 B13R1.90 CC(O)CSc1cccnc1NN 62a_100011464834_100011218427 [0,2,0,0,0,0|2,0,0]=4 18655 B13R1.90 CC(O)CSc1ccncc1C#N 62a_100011218427_100000687039 [0,2,0,0,0,0|2,0,0]=4 18656 B13R1.90 CC(O)CSc1ccncc1C=O 62a_100000050567_100011218427 [0,2,0,0,0,0|2,0,0]=4 18657 B13R1.90 CC(O)CSc1ccncc1C=O 62a_100011218427_100000050567 [0,2,0,0,0,0|2,0,0]=4 18658 B13R1.90 CC(O)CSc1ccncc1CO 62a_100000117392_100011218427 [0,2,0,0,0,0|2,0,0]=4 18659 B13R1.90 CC(O)CSc1ccncc1CO 62a_100011218427_100000117392 [0,2,0,0,0,0|2,0,0]=4 18660 B13R1.90 CC(O)CSc1cnccc1C#N 62a_100011218427_100000684818 [0,2,0,0,0,0|2,0,0]=4 18661 B13R1.90 CC(O)CSc1cnccc1C=O 62a_100011218427_100011934409 [0,2,0,0,0,0|2,0,0]=4 18662 B13R1.90 CC(O)CSc1cnccc1C=O 62a_100011934409_100011218427 [0,2,0,0,0,0|2,0,0]=4 18663 B13R1.90 CC(O)CSc1cnccc1CN 62a_100011218427_100020640021 [0,2,0,0,0,0|2,0,0]=4 18664 B13R1.90 CC(O)CSc1cnccc1CN 62a_100020640021_100011218427 [0,2,0,0,0,0|2,0,0]=4 18665 B13R1.90 CC(O)CSc1cnccc1CO 62a_100009873359_100011218427 [0,2,0,0,0,0|2,0,0]=4 18666 B13R1.90 CC(O)CSc1cnccc1CO 62a_100011218427_100009873359 [0,2,0,0,0,0|2,0,0]=4 18667 B13R1.90 CC(O)CSc1cnccc1NN 62a_100011218427_100013404636 [0,2,0,0,0,0|2,0,0]=4 18668 B13R1.90 CC(O)CSc1cnccc1NN 62a_100013404636_100011218427 [0,2,0,0,0,0|2,0,0]=4 18669 B13R1.90 CC(O)CSc1ncccc1C#N 62a_100011218427_100000211984 [0,2,0,0,0,0|2,0,0]=4 18670 B13R1.90 CC(O)CSc1ncccc1C=O 62a_100009816751_100011218427 [0,2,0,0,0,0|2,0,0]=4 18671 B13R1.90 CC(O)CSc1ncccc1C=O 62a_100011218427_100009816751 [0,2,0,0,0,0|2,0,0]=4 18672 B13R1.90 CC(O)CSc1ncccc1CN 62a_100011218427_100015189234 [0,2,0,0,0,0|2,0,0]=4 18673 B13R1.90 CC(O)CSc1ncccc1CN 62a_100015189234_100011218427 [0,2,0,0,0,0|2,0,0]=4 18674 B13R1.90 CC(O)CSc1ncccc1CO 62a_100000748726_100011218427 [0,2,0,0,0,0|2,0,0]=4 18675 B13R1.90 CC(O)CSc1ncccc1CO 62a_100011218427_100000748726 [0,2,0,0,0,0|2,0,0]=4 18676 B13R1.90 CCc1ccccc1C=CC(C)O 271570a_200011019289_100011215823 [0,2,0,0,0,0|0,0,2]=4 18677 B13R1.90 CCc1ccccc1CNC(C)C 207a_100138425928_100011219594 [0,2,0,0,0,0|2,0,0]=4 18678 B13R1.90 CCc1ccccc1COC(C)C 34a_100011663872_100000210206 [0,2,0,0,0,0|2,0,0]=4 18679 B13R1.90 CCc1ccccc1COC(C)C 7a_100011663872_100000210206 [0,2,0,0,0,0|2,0,0]=4 18680 B13R1.90 CCc1ccccc1NCC(C)C 2230a_100000212081_100000210760 [0,2,0,0,0,0|2,0,0]=4 18681 B13R1.90 CCc1ccccc1NCC(C)C 34a_100000212081_100000210624 [0,2,0,0,0,0|2,0,0]=4 18682 B13R1.90 CCc1ccccc1NCC(C)C 7a_100000212081_100000210760 [0,2,0,0,0,0|2,0,0]=4 18683 B13R1.90 CCc1ccccc1NCC(C)O 2230a_100000212081_100011218427 [0,2,0,0,0,0|1,0,0]=3 18684 B13R1.90 CCc1ccccc1NCC(C)O 34a_100000212081_100011218427 [0,2,0,0,0,0|1,0,0]=3 18685 B13R1.90 CCc1ccccc1NCC(C)O 7a_100000212081_100011218427 [0,2,0,0,0,0|1,0,0]=3 18686 B13R1.90 CCc1ccccc1NC[C@@H](C)O 2230a_100000212081_100009817552 [0,2,0,0,0,0|1,0,0]=3 18687 B13R1.90 CCc1ccccc1NC[C@@H](C)O 34a_100000212081_100009817552 [0,2,0,0,0,0|1,0,0]=3 18688 B13R1.90 CCc1ccccc1NC[C@@H](C)O 7a_100000212081_100009817552 [0,2,0,0,0,0|1,0,0]=3 18689 B13R1.90 CCc1ccccc1OCC(C)C 34a_100000210936_100000210624 [0,2,0,0,0,0|2,0,0]=4 18690 B13R1.90 CCc1ccccc1OCC(C)C 7a_100000210936_100000210760 [0,2,0,0,0,0|2,0,0]=4 18691 B13R1.90 CCc1ccccc1OCC(C)O 34a_100000210936_100011218427 [0,2,0,0,0,0|1,0,0]=3 18692 B13R1.90 CCc1ccccc1OCC(C)O 7a_100000210936_100011218427 [0,2,0,0,0,0|1,0,0]=3 18693 B13R1.90 CCc1ccccc1OC[C@@H](C)O 34a_100000210936_100009817552 [0,2,0,0,0,0|1,0,0]=3 18694 B13R1.90 CCc1ccccc1OC[C@@H](C)O 7a_100000210936_100009817552 [0,2,0,0,0,0|1,0,0]=3 18695 B13R1.90 CCc1ccccc1SCC(C)C 62a_100000210624_100011215823 [0,2,0,0,0,0|2,0,0]=4 18696 B13R1.90 CCc1ccccc1SCC(C)C 62a_100011215823_100000210760 [0,2,0,0,0,0|2,0,0]=4 18697 B13R1.90 CCc1ccccc1SCC(C)O 62a_100011215823_100011218427 [0,2,0,0,0,0|1,0,0]=3 18698 B13R1.90 CCc1ccccc1SCC(C)O 62a_100011218427_100011215823 [0,2,0,0,0,0|1,0,0]=3 18699 B13R1.90 CCc1ccccc1SC[C@@H](C)O 62a_100009817552_100011215823 [0,2,0,0,0,0|1,0,0]=3 18700 B13R1.90 CCc1ccccc1SC[C@@H](C)O 62a_100011215823_100009817552 [0,2,0,0,0,0|1,0,0]=3 18701 B13R1.90 CCc1ccncc1SCC(C)O 62a_100009819861_100011218427 [0,2,0,0,0,0|2,0,0]=4 18702 B13R1.90 CCc1ccncc1SCC(C)O 62a_100011218427_100009819861 [0,2,0,0,0,0|2,0,0]=4 18703 B13R1.90 CCc1ccncc1SC[C@@H](C)O 62a_100009817552_100009819861 [0,2,0,0,0,0|2,0,0]=4 18704 B13R1.90 CCc1ccncc1SC[C@@H](C)O 62a_100009819861_100009817552 [0,2,0,0,0,0|2,0,0]=4 18705 B13R1.90 CCc1cnccc1SCC(C)O 62a_100011218427_100025704421 [0,2,0,0,0,0|2,0,0]=4 18706 B13R1.90 CCc1cnccc1SCC(C)O 62a_100025704421_100011218427 [0,2,0,0,0,0|2,0,0]=4 18707 B13R1.90 CCc1cnccc1SC[C@@H](C)O 62a_100009817552_100025704421 [0,2,0,0,0,0|2,0,0]=4 18708 B13R1.90 CCc1cnccc1SC[C@@H](C)O 62a_100025704421_100009817552 [0,2,0,0,0,0|2,0,0]=4 18709 B13R1.90 CCc1ncccc1SCC(C)O 62a_100009877225_100011218427 [0,2,0,0,0,0|2,0,0]=4 18710 B13R1.90 CCc1ncccc1SCC(C)O 62a_100011218427_100009877225 [0,2,0,0,0,0|2,0,0]=4 18711 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009817552_100009877225 [0,2,0,0,0,0|2,0,0]=4 18712 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009877225_100009817552 [0,2,0,0,0,0|2,0,0]=4 18713 B13R1.90 CN(C)CCc1ccccc1C#N 2230a_100102631434_200013032965 [0,2,0,0,0,0|2,0,0]=4 18714 B13R1.90 CN(C)CCc1ccccc1C#N 269982a_100102631434_200013032965 [0,2,0,0,0,0|2,0,0]=4 18715 B13R1.90 CN(C)CCc1ccccc1C=O 2230a_100102631434_100010186698 [0,2,0,0,0,0|2,0,0]=4 18716 B13R1.90 CN(C)CCc1ccccc1C=O 269982a_100102631434_100010186698 [0,2,0,0,0,0|2,0,0]=4 18717 B13R1.90 CNc1ccccc1C=CC(C)O 271570a_200011019289_100020606079 [0,2,0,0,0,0|0,0,2]=4 18718 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000033821_100000210624 [0,2,0,0,0,0|2,0,0]=4 18719 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000742603_200000210301 [0,2,0,0,0,0|2,0,0]=4 18720 B13R1.90 CNc1ccccc1OCC(C)O 34a_100000033821_100011218427 [0,2,0,0,0,0|1,0,0]=3 18721 B13R1.90 CNc1ccccc1OC[C@@H](C)O 34a_100000033821_100009817552 [0,2,0,0,0,0|1,0,0]=3 18722 B13R1.90 CNc1ccccc1SCC(C)C 62a_100000210624_100020606079 [0,2,0,0,0,0|2,0,0]=4 18723 B13R1.90 CNc1ccccc1SCC(C)C 62a_100020606079_100000210760 [0,2,0,0,0,0|2,0,0]=4 18724 B13R1.90 CNc1ccccc1SCC(C)O 62a_100011218427_100020606079 [0,2,0,0,0,0|1,0,0]=3 18725 B13R1.90 CNc1ccccc1SCC(C)O 62a_100020606079_100011218427 [0,2,0,0,0,0|1,0,0]=3 18726 B13R1.90 CNc1ccccc1SC[C@@H](C)O 62a_100009817552_100020606079 [0,2,0,0,0,0|1,0,0]=3 18727 B13R1.90 CNc1ccccc1SC[C@@H](C)O 62a_100020606079_100009817552 [0,2,0,0,0,0|1,0,0]=3 18728 B13R1.90 CNc1cccnc1SCC(C)O 62a_100011218427_200011806188 [0,2,0,0,0,0|2,0,0]=4 18729 B13R1.90 CNc1cccnc1SC[C@@H](C)O 62a_100009817552_200011806188 [0,2,0,0,0,0|2,0,0]=4 18730 B13R1.90 CNc1ccncc1SCC(C)O 62a_100010069531_100011218427 [0,2,0,0,0,0|2,0,0]=4 18731 B13R1.90 CNc1ccncc1SCC(C)O 62a_100011218427_100010069531 [0,2,0,0,0,0|2,0,0]=4 18732 B13R1.90 CNc1ccncc1SC[C@@H](C)O 62a_100009817552_100010069531 [0,2,0,0,0,0|2,0,0]=4 18733 B13R1.90 CNc1ccncc1SC[C@@H](C)O 62a_100010069531_100009817552 [0,2,0,0,0,0|2,0,0]=4 18734 B13R1.90 CNc1ncccc1SCC(C)O 62a_100000700899_100011218427 [0,2,0,0,0,0|2,0,0]=4 18735 B13R1.90 CNc1ncccc1SCC(C)O 62a_100011218427_100000700899 [0,2,0,0,0,0|2,0,0]=4 18736 B13R1.90 CNc1ncccc1SC[C@@H](C)O 62a_100000700899_100009817552 [0,2,0,0,0,0|2,0,0]=4 18737 B13R1.90 CNc1ncccc1SC[C@@H](C)O 62a_100009817552_100000700899 [0,2,0,0,0,0|2,0,0]=4 18738 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [0,2,0,0,0,0|0,0,2]=4 18739 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [0,2,0,0,0,0|0,0,2]=4 18740 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [0,2,0,0,0,0|0,0,2]=4 18741 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [0,2,0,0,0,0|0,0,2]=4 18742 B13R1.90 COc1ccccc1CCN(C)C 2230a_100000231131_200000210301 [0,2,0,0,0,0|2,0,0]=4 18743 B13R1.90 COc1ccccc1CCN(C)C 2230a_100102631434_100011713687 [0,2,0,0,0,0|2,0,0]=4 18744 B13R1.90 COc1ccccc1CCN(C)C 269982a_100000231131_200000210301 [0,2,0,0,0,0|2,0,0]=4 18745 B13R1.90 COc1ccccc1CCN(C)C 269982a_100102631434_100011713687 [0,2,0,0,0,0|2,0,0]=4 18746 B13R1.90 COc1ccccc1CCN(C)C 270004a_100102631434_100011713418 [0,2,0,0,0,0|2,0,0]=4 18747 B13R1.90 COc1ccccc1CCN(C)[13CH3] 2230a_100000231131_200025704644 [0,2,0,0,0,0|2,0,0]=4 18748 B13R1.90 COc1ccccc1CCN(C)[13CH3] 269982a_100000231131_200025704644 [0,2,0,0,0,0|2,0,0]=4 18749 B13R1.90 COc1ccccc1CNC(C)C 207a_100138425928_100000169842 [0,2,0,0,0,0|2,0,0]=4 18750 B13R1.90 COc1ccccc1CNC(C)C 2230a_100138425928_100000210004 [0,2,0,0,0,0|2,0,0]=4 18751 B13R1.90 COc1ccccc1CNC(C)C 34a_100000188900_100000210206 [0,2,0,0,0,0|2,0,0]=4 18752 B13R1.90 COc1ccccc1CNC(C)C 34a_100138425928_100000210004 [0,2,0,0,0,0|2,0,0]=4 18753 B13R1.90 COc1ccccc1COC(C)C 34a_100000211301_100000210206 [0,2,0,0,0,0|2,0,0]=4 18754 B13R1.90 COc1ccccc1COC(C)C 34a_100000212225_100000210004 [0,2,0,0,0,0|2,0,0]=4 18755 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210004_100000210206 [0,2,0,0,0,0|2,0,0]=4 18756 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210206_100000210004 [0,2,0,0,0,0|2,0,0]=4 18757 B13R1.90 COc1ccccc1NCC(C)C 34a_100000210025_100000210624 [0,2,0,0,0,0|2,0,0]=4 18758 B13R1.90 COc1ccccc1NCC(C)O 34a_100000210025_100011218427 [0,2,0,0,0,0|1,0,0]=3 18759 B13R1.90 COc1ccccc1NC[C@@H](C)O 34a_100000210025_100009817552 [0,2,0,0,0,0|1,0,0]=3 18760 B13R1.90 COc1ccccc1OCC(C)C 34a_100000210385_100000210624 [0,2,0,0,0,0|2,0,0]=4 18761 B13R1.90 COc1ccccc1OCC(C)O 34a_100000210385_100011218427 [0,2,0,0,0,0|1,0,0]=3 18762 B13R1.90 COc1ccccc1OC[C@@H](C)O 34a_100000210385_100009817552 [0,2,0,0,0,0|1,0,0]=3 18763 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210334_100000210760 [0,2,0,0,0,0|2,0,0]=4 18764 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210624_100000210334 [0,2,0,0,0,0|2,0,0]=4 18765 B13R1.90 COc1ccccc1SCC(C)O 62a_100000210334_100011218427 [0,2,0,0,0,0|1,0,0]=3 18766 B13R1.90 COc1ccccc1SCC(C)O 62a_100011218427_100000210334 [0,2,0,0,0,0|1,0,0]=3 18767 B13R1.90 COc1ccccc1SC[C@@H](C)O 62a_100000210334_100009817552 [0,2,0,0,0,0|1,0,0]=3 18768 B13R1.90 COc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210334 [0,2,0,0,0,0|1,0,0]=3 18769 B13R1.90 COc1cccnc1OCC(C)O 34a_100025773188_100011218427 [0,2,0,0,0,0|2,0,0]=4 18770 B13R1.90 COc1cccnc1OC[C@@H](C)O 34a_100025773188_100009817552 [0,2,0,0,0,0|2,0,0]=4 18771 B13R1.90 COc1cccnc1SCC(C)O 62a_100000767102_100011218427 [0,2,0,0,0,0|2,0,0]=4 18772 B13R1.90 COc1cccnc1SCC(C)O 62a_100011218427_100000690851 [0,2,0,0,0,0|2,0,0]=4 18773 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100000767102_100009817552 [0,2,0,0,0,0|2,0,0]=4 18774 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100009817552_100000690851 [0,2,0,0,0,0|2,0,0]=4 18775 B13R1.90 COc1ccncc1OCC(C)O 34a_100000101186_100011218427 [0,2,0,0,0,0|2,0,0]=4 18776 B13R1.90 COc1ccncc1OC[C@@H](C)O 34a_100000101186_100009817552 [0,2,0,0,0,0|2,0,0]=4 18777 B13R1.90 COc1ccncc1SCC(C)O 62a_100011218427_100011997281 [0,2,0,0,0,0|2,0,0]=4 18778 B13R1.90 COc1ccncc1SCC(C)O 62a_100011997281_100011218427 [0,2,0,0,0,0|2,0,0]=4 18779 B13R1.90 COc1ccncc1SC[C@@H](C)O 62a_100009817552_100011997281 [0,2,0,0,0,0|2,0,0]=4 18780 B13R1.90 COc1ccncc1SC[C@@H](C)O 62a_100011997281_100009817552 [0,2,0,0,0,0|2,0,0]=4 18781 B13R1.90 COc1cnccc1SCC(C)O 62a_100011218427_100016988167 [0,2,0,0,0,0|2,0,0]=4 18782 B13R1.90 COc1cnccc1SCC(C)O 62a_100016988167_100011218427 [0,2,0,0,0,0|2,0,0]=4 18783 B13R1.90 COc1cnccc1SC[C@@H](C)O 62a_100009817552_100016988167 [0,2,0,0,0,0|2,0,0]=4 18784 B13R1.90 COc1cnccc1SC[C@@H](C)O 62a_100016988167_100009817552 [0,2,0,0,0,0|2,0,0]=4 18785 B13R1.90 COc1ncccc1OCC(C)O 34a_100000698397_100011218427 [0,2,0,0,0,0|2,0,0]=4 18786 B13R1.90 COc1ncccc1OCC(C)O 7a_100000698397_100011218427 [0,2,0,0,0,0|2,0,0]=4 18787 B13R1.90 COc1ncccc1OC[C@@H](C)O 34a_100000698397_100009817552 [0,2,0,0,0,0|2,0,0]=4 18788 B13R1.90 COc1ncccc1OC[C@@H](C)O 7a_100000698397_100009817552 [0,2,0,0,0,0|2,0,0]=4 18789 B13R1.90 COc1ncccc1SCC(C)O 62a_100000047025_100011218427 [0,2,0,0,0,0|2,0,0]=4 18790 B13R1.90 COc1ncccc1SCC(C)O 62a_100011218427_100000047025 [0,2,0,0,0,0|2,0,0]=4 18791 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100000047025_100009817552 [0,2,0,0,0,0|2,0,0]=4 18792 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100009817552_100000047025 [0,2,0,0,0,0|2,0,0]=4 18793 B13R1.90 CSc1ccccc1C=CC(C)O 271570a_200011019289_100011217816 [0,2,0,0,0,0|0,0,2]=4 18794 B13R1.90 CSc1ccccc1CNC(C)C 207a_100138425928_100011217347 [0,2,0,0,0,0|2,0,0]=4 18795 B13R1.90 CSc1ccccc1CNC(C)C 2230a_100138425928_100000699184 [0,2,0,0,0,0|2,0,0]=4 18796 B13R1.90 CSc1ccccc1CNC(C)C 34a_100138425928_100000699184 [0,2,0,0,0,0|2,0,0]=4 18797 B13R1.90 CSc1ccccc1CNC(C)C 34a_102495365025_100000210206 [0,2,0,0,0,0|2,0,0]=4 18798 B13R1.90 CSc1ccccc1CNC(C)C 62a_100000195800_200000210301 [0,2,0,0,0,0|2,0,0]=4 18799 B13R1.90 CSc1ccccc1CNC(C)C 62a_200000210301_100000195800 [0,2,0,0,0,0|2,0,0]=4 18800 B13R1.90 CSc1ccccc1COC(C)C 34a_100000212225_100000699184 [0,2,0,0,0,0|2,0,0]=4 18801 B13R1.90 CSc1ccccc1COC(C)C 34a_100000699167_100000210206 [0,2,0,0,0,0|2,0,0]=4 18802 B13R1.90 CSc1ccccc1CSC(C)C 62a_100000210206_100000699184 [0,2,0,0,0,0|2,0,0]=4 18803 B13R1.90 CSc1ccccc1CSC(C)C 62a_100000699184_100000210206 [0,2,0,0,0,0|2,0,0]=4 18804 B13R1.90 CSc1ccccc1CSC(C)C 62a_200000173093_200000210301 [0,2,0,0,0,0|2,0,0]=4 18805 B13R1.90 CSc1ccccc1CSC(C)C 62a_200000210301_200000173093 [0,2,0,0,0,0|2,0,0]=4 18806 B13R1.90 CSc1ccccc1NCC(C)C 34a_100000211160_100000210624 [0,2,0,0,0,0|2,0,0]=4 18807 B13R1.90 CSc1ccccc1NCC(C)O 34a_100000211160_100011218427 [0,2,0,0,0,0|1,0,0]=3 18808 B13R1.90 CSc1ccccc1NC[C@@H](C)O 34a_100000211160_100009817552 [0,2,0,0,0,0|1,0,0]=3 18809 B13R1.90 CSc1ccccc1OCC(C)C 34a_100011216402_100000210624 [0,2,0,0,0,0|2,0,0]=4 18810 B13R1.90 CSc1ccccc1OCC(C)O 34a_100011216402_100011218427 [0,2,0,0,0,0|1,0,0]=3 18811 B13R1.90 CSc1ccccc1OC[C@@H](C)O 34a_100011216402_100009817552 [0,2,0,0,0,0|1,0,0]=3 18812 B13R1.90 CSc1ccccc1SCC(C)C 62a_100000210624_100011217816 [0,2,0,0,0,0|2,0,0]=4 18813 B13R1.90 CSc1ccccc1SCC(C)C 62a_100011217816_100000210760 [0,2,0,0,0,0|2,0,0]=4 18814 B13R1.90 CSc1ccccc1SCC(C)O 62a_100011217816_100011218427 [0,2,0,0,0,0|1,0,0]=3 18815 B13R1.90 CSc1ccccc1SCC(C)O 62a_100011218427_100011217816 [0,2,0,0,0,0|1,0,0]=3 18816 B13R1.90 CSc1ccccc1SC[C@@H](C)O 62a_100009817552_100011217816 [0,2,0,0,0,0|1,0,0]=3 18817 B13R1.90 CSc1ccccc1SC[C@@H](C)O 62a_100011217816_100009817552 [0,2,0,0,0,0|1,0,0]=3 18818 B13R1.90 CSc1ncccc1SCC(C)O 62a_100011218427_100011465278 [0,2,0,0,0,0|2,0,0]=4 18819 B13R1.90 CSc1ncccc1SCC(C)O 62a_100011465278_100011218427 [0,2,0,0,0,0|2,0,0]=4 18820 B13R1.90 CSc1ncccc1SC[C@@H](C)O 62a_100009817552_100011465278 [0,2,0,0,0,0|2,0,0]=4 18821 B13R1.90 CSc1ncccc1SC[C@@H](C)O 62a_100011465278_100009817552 [0,2,0,0,0,0|2,0,0]=4 18822 B13R1.90 C[C@@H](O)CNc1ccccc1C#N 34a_100000211148_100009817552 [0,2,0,0,0,0|1,0,0]=3 18823 B13R1.90 C[C@@H](O)CNc1ccccc1CO 34a_100000212039_100009817552 [0,2,0,0,0,0|1,0,0]=3 18824 B13R1.90 C[C@@H](O)COc1ccccc1C#N 34a_100000211048_100009817552 [0,2,0,0,0,0|1,0,0]=3 18825 B13R1.90 C[C@@H](O)COc1ccccc1C#N 7a_100000211048_100009817552 [0,2,0,0,0,0|1,0,0]=3 18826 B13R1.90 C[C@@H](O)COc1ccccc1CN 34a_100000185550_100009817552 [0,2,0,0,0,0|1,0,0]=3 18827 B13R1.90 C[C@@H](O)COc1ccccc1CO 34a_100011216872_100009817552 [0,2,0,0,0,0|1,0,0]=3 18828 B13R1.90 C[C@@H](O)COc1cccnc1C#N 34a_100000722750_100009817552 [0,2,0,0,0,0|2,0,0]=4 18829 B13R1.90 C[C@@H](O)COc1cccnc1C#N 7a_100000722750_100009817552 [0,2,0,0,0,0|2,0,0]=4 18830 B13R1.90 C[C@@H](O)COc1cccnc1CBr 34a_200020655725_100009817552 [0,2,0,0,0,0|2,0,0]=4 18831 B13R1.90 C[C@@H](O)COc1cccnc1CBr 7a_200020655725_100009817552 [0,2,0,0,0,0|2,0,0]=4 18832 B13R1.90 C[C@@H](O)COc1cccnc1CO 34a_100000731849_100009817552 [0,2,0,0,0,0|2,0,0]=4 18833 B13R1.90 C[C@@H](O)COc1cnccc1C#N 7a_100012181322_100009817552 [0,2,0,0,0,0|2,0,0]=4 18834 B13R1.90 C[C@@H](O)COc1cnccc1CO 34a_100000078615_100009817552 [0,2,0,0,0,0|2,0,0]=4 18835 B13R1.90 C[C@@H](O)CSc1ccccc1C#N 62a_100009817552_100000188569 [0,2,0,0,0,0|1,0,0]=3 18836 B13R1.90 C[C@@H](O)CSc1ccccc1C=O 62a_100000210073_100009817552 [0,2,0,0,0,0|1,0,0]=3 18837 B13R1.90 C[C@@H](O)CSc1ccccc1C=O 62a_100009817552_100000210073 [0,2,0,0,0,0|1,0,0]=3 18838 B13R1.90 C[C@@H](O)CSc1ccccc1CN 62a_100000689332_100009817552 [0,2,0,0,0,0|1,0,0]=3 18839 B13R1.90 C[C@@H](O)CSc1ccccc1CN 62a_100009817552_100000689332 [0,2,0,0,0,0|1,0,0]=3 18840 B13R1.90 C[C@@H](O)CSc1ccccc1CO 62a_100000187465_100009817552 [0,2,0,0,0,0|1,0,0]=3 18841 B13R1.90 C[C@@H](O)CSc1ccccc1CO 62a_100009817552_100000187465 [0,2,0,0,0,0|1,0,0]=3 18842 B13R1.90 C[C@@H](O)CSc1ccccc1NN 62a_100000241748_100009817552 [0,2,0,0,0,0|1,0,0]=3 18843 B13R1.90 C[C@@H](O)CSc1ccccc1NN 62a_100009817552_100000241748 [0,2,0,0,0,0|1,0,0]=3 18844 B13R1.90 C[C@@H](O)CSc1cccnc1C#N 62a_100009817552_100000685805 [0,2,0,0,0,0|2,0,0]=4 18845 B13R1.90 C[C@@H](O)CSc1cccnc1C=O 62a_100009817552_100011934733 [0,2,0,0,0,0|2,0,0]=4 18846 B13R1.90 C[C@@H](O)CSc1cccnc1C=O 62a_100011934733_100009817552 [0,2,0,0,0,0|2,0,0]=4 18847 B13R1.90 C[C@@H](O)CSc1cccnc1CN 62a_100009817552_100020591323 [0,2,0,0,0,0|2,0,0]=4 18848 B13R1.90 C[C@@H](O)CSc1cccnc1CN 62a_100020591323_100009817552 [0,2,0,0,0,0|2,0,0]=4 18849 B13R1.90 C[C@@H](O)CSc1cccnc1CO 62a_100009817552_100011996772 [0,2,0,0,0,0|2,0,0]=4 18850 B13R1.90 C[C@@H](O)CSc1cccnc1CO 62a_100011996772_100009817552 [0,2,0,0,0,0|2,0,0]=4 18851 B13R1.90 C[C@@H](O)CSc1cccnc1NN 62a_100009817552_100011464834 [0,2,0,0,0,0|2,0,0]=4 18852 B13R1.90 C[C@@H](O)CSc1cccnc1NN 62a_100011464834_100009817552 [0,2,0,0,0,0|2,0,0]=4 18853 B13R1.90 C[C@@H](O)CSc1ccncc1C#N 62a_100009817552_100000687039 [0,2,0,0,0,0|2,0,0]=4 18854 B13R1.90 C[C@@H](O)CSc1ccncc1C=O 62a_100000050567_100009817552 [0,2,0,0,0,0|2,0,0]=4 18855 B13R1.90 C[C@@H](O)CSc1ccncc1C=O 62a_100009817552_100000050567 [0,2,0,0,0,0|2,0,0]=4 18856 B13R1.90 C[C@@H](O)CSc1ccncc1CO 62a_100000117392_100009817552 [0,2,0,0,0,0|2,0,0]=4 18857 B13R1.90 C[C@@H](O)CSc1ccncc1CO 62a_100009817552_100000117392 [0,2,0,0,0,0|2,0,0]=4 18858 B13R1.90 C[C@@H](O)CSc1cnccc1C#N 62a_100009817552_100000684818 [0,2,0,0,0,0|2,0,0]=4 18859 B13R1.90 C[C@@H](O)CSc1cnccc1C=O 62a_100009817552_100011934409 [0,2,0,0,0,0|2,0,0]=4 18860 B13R1.90 C[C@@H](O)CSc1cnccc1C=O 62a_100011934409_100009817552 [0,2,0,0,0,0|2,0,0]=4 18861 B13R1.90 C[C@@H](O)CSc1cnccc1CN 62a_100009817552_100020640021 [0,2,0,0,0,0|2,0,0]=4 18862 B13R1.90 C[C@@H](O)CSc1cnccc1CN 62a_100020640021_100009817552 [0,2,0,0,0,0|2,0,0]=4 18863 B13R1.90 C[C@@H](O)CSc1cnccc1CO 62a_100009817552_100009873359 [0,2,0,0,0,0|2,0,0]=4 18864 B13R1.90 C[C@@H](O)CSc1cnccc1CO 62a_100009873359_100009817552 [0,2,0,0,0,0|2,0,0]=4 18865 B13R1.90 C[C@@H](O)CSc1cnccc1NN 62a_100009817552_100013404636 [0,2,0,0,0,0|2,0,0]=4 18866 B13R1.90 C[C@@H](O)CSc1cnccc1NN 62a_100013404636_100009817552 [0,2,0,0,0,0|2,0,0]=4 18867 B13R1.90 C[C@@H](O)CSc1ncccc1C#N 62a_100009817552_100000211984 [0,2,0,0,0,0|2,0,0]=4 18868 B13R1.90 C[C@@H](O)CSc1ncccc1C=O 62a_100009816751_100009817552 [0,2,0,0,0,0|2,0,0]=4 18869 B13R1.90 C[C@@H](O)CSc1ncccc1C=O 62a_100009817552_100009816751 [0,2,0,0,0,0|2,0,0]=4 18870 B13R1.90 C[C@@H](O)CSc1ncccc1CN 62a_100009817552_100015189234 [0,2,0,0,0,0|2,0,0]=4 18871 B13R1.90 C[C@@H](O)CSc1ncccc1CN 62a_100015189234_100009817552 [0,2,0,0,0,0|2,0,0]=4 18872 B13R1.90 C[C@@H](O)CSc1ncccc1CO 62a_100000748726_100009817552 [0,2,0,0,0,0|2,0,0]=4 18873 B13R1.90 C[C@@H](O)CSc1ncccc1CO 62a_100009817552_100000748726 [0,2,0,0,0,0|2,0,0]=4 18874 B13R1.90 [13CH3]C(=O)CCc1ccccc1C#N 1458a_100000025266_200025704644 [0,2,0,0,0,0|0,0,2]=4 18875 B13R1.150 CC(=O)CCc1cccc(c1C)C 1458a_100011218151_200000210301 [0,2,0,0,0,0|0,0,2]=4 18876 B13R1.150 CC(=O)CCc1cccc(c1C)F 1458a_100000069055_200000210301 [0,2,0,0,0,0|0,0,2]=4 18877 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000070787_100000723033 [0,2,0,0,0,0|0,0,2]=4 18878 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200000210301 [0,2,0,0,0,0|0,0,2]=4 18879 B13R1.150 CC(=O)CCc1cccc(c1F)Br 1458a_100012349569_200000210301 [0,2,0,0,0,0|0,0,2]=4 18880 B13R1.150 CC(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200000210301 [0,2,0,0,0,0|0,0,2]=4 18881 B13R1.150 CC(=O)CCc1cccc(c1F)F 1458a_100000748811_200000210301 [0,2,0,0,0,0|0,0,2]=4 18882 B13R1.150 CC(=O)CCc1cccc(c1O)O 1458a_100009873524_200000210301 [0,2,0,0,0,0|0,0,2]=4 18883 B13R1.150 CC(C)CNc1cccc(c1Br)Cl 34a_100000687072_100000210624 [0,2,0,0,0,0|2,0,0]=4 18884 B13R1.150 CC(C)CNc1cccc(c1Br)F 34a_100011934729_100000210624 [0,2,0,0,0,0|2,0,0]=4 18885 B13R1.150 CC(C)CNc1cccc(c1Br)O 34a_100012183704_100000210624 [0,2,0,0,0,0|2,0,0]=4 18886 B13R1.150 CC(C)CNc1cccc(c1Br)O 7a_100012183704_100000210760 [0,2,0,0,0,0|2,0,0]=4 18887 B13R1.150 CC(C)CNc1cccc(c1Cl)Br 34a_100000687075_100000210624 [0,2,0,0,0,0|2,0,0]=4 18888 B13R1.150 CC(C)CNc1cccc(c1Cl)Cl 34a_100000185733_100000210624 [0,2,0,0,0,0|2,0,0]=4 18889 B13R1.150 CC(C)CNc1cccc(c1Cl)F 34a_100000692321_100000210624 [0,2,0,0,0,0|2,0,0]=4 18890 B13R1.150 CC(C)CNc1cccc(c1Cl)O 34a_100012002038_100000210624 [0,2,0,0,0,0|2,0,0]=4 18891 B13R1.150 CC(C)CNc1cccc(c1Cl)O 7a_100012002038_100000210760 [0,2,0,0,0,0|2,0,0]=4 18892 B13R1.150 CC(C)CNc1cccc(c1F)Br 2230a_100011935091_100000210760 [0,2,0,0,0,0|2,0,0]=4 18893 B13R1.150 CC(C)CNc1cccc(c1F)Br 34a_100011935091_100000210624 [0,2,0,0,0,0|2,0,0]=4 18894 B13R1.150 CC(C)CNc1cccc(c1F)Cl 2230a_100000199060_100000210760 [0,2,0,0,0,0|2,0,0]=4 18895 B13R1.150 CC(C)CNc1cccc(c1F)Cl 34a_100000199060_100000210624 [0,2,0,0,0,0|2,0,0]=4 18896 B13R1.150 CC(C)CNc1cccc(c1F)F 34a_100000743855_100000210624 [0,2,0,0,0,0|2,0,0]=4 18897 B13R1.150 CC(C)CNc1cccc(c1I)Br 34a_100020590159_100000210624 [0,2,0,0,0,0|2,0,0]=4 18898 B13R1.150 CC(C)CNc1cccc(c1I)Cl 34a_100000049713_100000210624 [0,2,0,0,0,0|2,0,0]=4 18899 B13R1.150 CC(C)CNc1cccc(c1I)F 34a_100000690935_100000210624 [0,2,0,0,0,0|2,0,0]=4 18900 B13R1.150 CC(C)CNc1cccc(c1O)Br 34a_100011934915_100000210624 [0,2,0,0,0,0|2,0,0]=4 18901 B13R1.150 CC(C)CNc1cccc(c1O)Cl 34a_100000754742_100000210624 [0,2,0,0,0,0|2,0,0]=4 18902 B13R1.150 CC(C)CNc1cccc(c1O)F 34a_100011934987_100000210624 [0,2,0,0,0,0|2,0,0]=4 18903 B13R1.150 CC(C)COc1cccc(c1Br)Br 34a_100010187966_100000210624 [0,2,0,0,0,0|2,0,0]=4 18904 B13R1.150 CC(C)COc1cccc(c1Br)Br 7a_100010187966_100000210760 [0,2,0,0,0,0|2,0,0]=4 18905 B13R1.150 CC(C)COc1cccc(c1Br)Cl 34a_100012348804_100000210624 [0,2,0,0,0,0|2,0,0]=4 18906 B13R1.150 CC(C)COc1cccc(c1Br)Cl 7a_100012348804_100000210760 [0,2,0,0,0,0|2,0,0]=4 18907 B13R1.150 CC(C)COc1cccc(c1Br)F 34a_100009820682_100000210624 [0,2,0,0,0,0|2,0,0]=4 18908 B13R1.150 CC(C)COc1cccc(c1Br)F 7a_100009820682_100000210760 [0,2,0,0,0,0|2,0,0]=4 18909 B13R1.150 CC(C)COc1cccc(c1Br)I 34a_100010187914_100000210624 [0,2,0,0,0,0|2,0,0]=4 18910 B13R1.150 CC(C)COc1cccc(c1Br)I 7a_100010187914_100000210760 [0,2,0,0,0,0|2,0,0]=4 18911 B13R1.150 CC(C)COc1cccc(c1Br)N 34a_100012183704_100000210624 [0,2,0,0,0,0|2,0,0]=4 18912 B13R1.150 CC(C)COc1cccc(c1Br)N 7a_100012183704_100000210760 [0,2,0,0,0,0|2,0,0]=4 18913 B13R1.150 CC(C)COc1cccc(c1Cl)Br 34a_100010187913_100000210624 [0,2,0,0,0,0|2,0,0]=4 18914 B13R1.150 CC(C)COc1cccc(c1Cl)Br 7a_100010187913_100000210760 [0,2,0,0,0,0|2,0,0]=4 18915 B13R1.150 CC(C)COc1cccc(c1Cl)Cl 34a_100000211076_100000210624 [0,2,0,0,0,0|2,0,0]=4 18916 B13R1.150 CC(C)COc1cccc(c1Cl)Cl 7a_100000211076_100000210760 [0,2,0,0,0,0|2,0,0]=4 18917 B13R1.150 CC(C)COc1cccc(c1Cl)F 34a_100000087408_100000210624 [0,2,0,0,0,0|2,0,0]=4 18918 B13R1.150 CC(C)COc1cccc(c1Cl)F 7a_100000087408_100000210760 [0,2,0,0,0,0|2,0,0]=4 18919 B13R1.150 CC(C)COc1cccc(c1Cl)I 34a_100000049636_100000210624 [0,2,0,0,0,0|2,0,0]=4 18920 B13R1.150 CC(C)COc1cccc(c1Cl)I 7a_100000049636_100000210760 [0,2,0,0,0,0|2,0,0]=4 18921 B13R1.150 CC(C)COc1cccc(c1Cl)N 34a_100012002038_100000210624 [0,2,0,0,0,0|2,0,0]=4 18922 B13R1.150 CC(C)COc1cccc(c1Cl)N 7a_100012002038_100000210760 [0,2,0,0,0,0|2,0,0]=4 18923 B13R1.150 CC(C)COc1cccc(c1F)Br 34a_100009817021_100000210624 [0,2,0,0,0,0|2,0,0]=4 18924 B13R1.150 CC(C)COc1cccc(c1F)Br 7a_100009817021_100000210760 [0,2,0,0,0,0|2,0,0]=4 18925 B13R1.150 CC(C)COc1cccc(c1F)Cl 34a_100000687438_100000210624 [0,2,0,0,0,0|2,0,0]=4 18926 B13R1.150 CC(C)COc1cccc(c1F)Cl 7a_100000687438_100000210760 [0,2,0,0,0,0|2,0,0]=4 18927 B13R1.150 CC(C)COc1cccc(c1F)F 34a_100000751161_100000210624 [0,2,0,0,0,0|2,0,0]=4 18928 B13R1.150 CC(C)COc1cccc(c1F)F 7a_100000751161_100000210760 [0,2,0,0,0,0|2,0,0]=4 18929 B13R1.150 CC(C)COc1cccc(c1I)Br 34a_100010187912_100000210624 [0,2,0,0,0,0|2,0,0]=4 18930 B13R1.150 CC(C)COc1cccc(c1I)Br 7a_100010187912_100000210760 [0,2,0,0,0,0|2,0,0]=4 18931 B13R1.150 CC(C)COc1cccc(c1I)Cl 34a_100000050174_100000210624 [0,2,0,0,0,0|2,0,0]=4 18932 B13R1.150 CC(C)COc1cccc(c1I)Cl 7a_100000050174_100000210760 [0,2,0,0,0,0|2,0,0]=4 18933 B13R1.150 CC(C)COc1cccc(c1I)F 34a_100000690913_100000210624 [0,2,0,0,0,0|2,0,0]=4 18934 B13R1.150 CC(C)COc1cccc(c1I)F 7a_100000690913_100000210760 [0,2,0,0,0,0|2,0,0]=4 18935 B13R1.150 CC(C)COc1cccc(c1N)Br 34a_100011934926_100000210624 [0,2,0,0,0,0|2,0,0]=4 18936 B13R1.150 CC(C)COc1cccc(c1N)Br 7a_100011934926_100000210760 [0,2,0,0,0,0|2,0,0]=4 18937 B13R1.150 CC(C)COc1cccc(c1N)Cl 34a_100012022510_100000210624 [0,2,0,0,0,0|2,0,0]=4 18938 B13R1.150 CC(C)COc1cccc(c1N)Cl 7a_100012022510_100000210760 [0,2,0,0,0,0|2,0,0]=4 18939 B13R1.150 CC(C)COc1cccc(c1N)F 34a_100020591140_100000210624 [0,2,0,0,0,0|2,0,0]=4 18940 B13R1.150 CC(C)COc1cccc(c1N)F 7a_100020591140_100000210760 [0,2,0,0,0,0|2,0,0]=4 18941 B13R1.150 CC(C)COc1cccc(c1N)I 34a_200000049512_100000210624 [0,2,0,0,0,0|2,0,0]=4 18942 B13R1.150 CC(C)COc1cccc(c1N)I 7a_200000049512_100000210760 [0,2,0,0,0,0|2,0,0]=4 18943 B13R1.150 CC(C)COc1cccc(c1N)N 34a_100000033209_100000210624 [0,2,0,0,0,0|2,0,0]=4 18944 B13R1.150 CC(C)CSc1cccc(c1Br)Br 62a_100000210624_100010175083 [0,2,0,0,0,0|2,0,0]=4 18945 B13R1.150 CC(C)CSc1cccc(c1Br)Br 62a_100010175083_100000210760 [0,2,0,0,0,0|2,0,0]=4 18946 B13R1.150 CC(C)CSc1cccc(c1Br)Cl 62a_100000210624_100014021842 [0,2,0,0,0,0|2,0,0]=4 18947 B13R1.150 CC(C)CSc1cccc(c1Br)Cl 62a_100014021842_100000210760 [0,2,0,0,0,0|2,0,0]=4 18948 B13R1.150 CC(C)CSc1cccc(c1Br)F 62a_100000210624_100010202630 [0,2,0,0,0,0|2,0,0]=4 18949 B13R1.150 CC(C)CSc1cccc(c1Br)F 62a_100010202630_100000210760 [0,2,0,0,0,0|2,0,0]=4 18950 B13R1.150 CC(C)CSc1cccc(c1Br)O 62a_100000210624_100010187914 [0,2,0,0,0,0|2,0,0]=4 18951 B13R1.150 CC(C)CSc1cccc(c1Br)O 62a_100010187914_100000210760 [0,2,0,0,0,0|2,0,0]=4 18952 B13R1.150 CC(C)CSc1cccc(c1Cl)Br 62a_100000210624_100010142854 [0,2,0,0,0,0|2,0,0]=4 18953 B13R1.150 CC(C)CSc1cccc(c1Cl)Br 62a_100010142854_100000210760 [0,2,0,0,0,0|2,0,0]=4 18954 B13R1.150 CC(C)CSc1cccc(c1Cl)Cl 62a_100000210624_100011215384 [0,2,0,0,0,0|2,0,0]=4 18955 B13R1.150 CC(C)CSc1cccc(c1Cl)Cl 62a_100011215384_100000210760 [0,2,0,0,0,0|2,0,0]=4 18956 B13R1.150 CC(C)CSc1cccc(c1Cl)F 62a_100000210624_200010234923 [0,2,0,0,0,0|2,0,0]=4 18957 B13R1.150 CC(C)CSc1cccc(c1Cl)F 62a_200010234923_100000210760 [0,2,0,0,0,0|2,0,0]=4 18958 B13R1.150 CC(C)CSc1cccc(c1Cl)O 62a_100000210624_100000049636 [0,2,0,0,0,0|2,0,0]=4 18959 B13R1.150 CC(C)CSc1cccc(c1F)Br 62a_100000210624_100000702267 [0,2,0,0,0,0|2,0,0]=4 18960 B13R1.150 CC(C)CSc1cccc(c1F)Br 62a_100000702267_100000210760 [0,2,0,0,0,0|2,0,0]=4 18961 B13R1.150 CC(C)CSc1cccc(c1F)Cl 62a_100000210624_100011217346 [0,2,0,0,0,0|2,0,0]=4 18962 B13R1.150 CC(C)CSc1cccc(c1F)Cl 62a_100011217346_100000210760 [0,2,0,0,0,0|2,0,0]=4 18963 B13R1.150 CC(C)CSc1cccc(c1F)F 62a_100000210624_100000694657 [0,2,0,0,0,0|2,0,0]=4 18964 B13R1.150 CC(C)CSc1cccc(c1F)F 62a_100000694657_100000210760 [0,2,0,0,0,0|2,0,0]=4 18965 B13R1.150 CC(C)CSc1cccc(c1F)N 62a_100000210624_100011935091 [0,2,0,0,0,0|2,0,0]=4 18966 B13R1.150 CC(C)CSc1cccc(c1F)N 62a_100011935091_100000210760 [0,2,0,0,0,0|2,0,0]=4 18967 B13R1.150 CC(C)CSc1cccc(c1F)O 62a_100000210624_100009817021 [0,2,0,0,0,0|2,0,0]=4 18968 B13R1.150 CC(C)CSc1cccc(c1F)O 62a_100009817021_100000210760 [0,2,0,0,0,0|2,0,0]=4 18969 B13R1.150 CC(C)CSc1cccc(c1N)Br 62a_100000210624_100010146558 [0,2,0,0,0,0|2,0,0]=4 18970 B13R1.150 CC(C)CSc1cccc(c1N)Br 62a_100010146558_100000210760 [0,2,0,0,0,0|2,0,0]=4 18971 B13R1.150 CC(C)CSc1cccc(c1N)Cl 62a_100000210624_100010190421 [0,2,0,0,0,0|2,0,0]=4 18972 B13R1.150 CC(C)CSc1cccc(c1N)Cl 62a_100010190421_100000210760 [0,2,0,0,0,0|2,0,0]=4 18973 B13R1.150 CC(C)CSc1cccc(c1N)F 62a_100000042321_100000210760 [0,2,0,0,0,0|2,0,0]=4 18974 B13R1.150 CC(C)CSc1cccc(c1N)F 62a_100000210624_100000042321 [0,2,0,0,0,0|2,0,0]=4 18975 B13R1.150 CC(C)CSc1cccc(c1N)N 62a_100015191791_100000210760 [0,2,0,0,0,0|2,0,0]=4 18976 B13R1.150 CC(C)CSc1cccc(c1N)O 62a_100000210624_100011934926 [0,2,0,0,0,0|2,0,0]=4 18977 B13R1.150 CC(C)CSc1cccc(c1O)Br 62a_100000210624_100010084509 [0,2,0,0,0,0|2,0,0]=4 18978 B13R1.150 CC(C)CSc1cccc(c1O)Br 62a_100010084509_100000210760 [0,2,0,0,0,0|2,0,0]=4 18979 B13R1.150 CC(C)CSc1cccc(c1O)Cl 62a_100000210624_100010202889 [0,2,0,0,0,0|2,0,0]=4 18980 B13R1.150 CC(C)CSc1cccc(c1O)Cl 62a_100010202889_100000210760 [0,2,0,0,0,0|2,0,0]=4 18981 B13R1.150 CC(C)CSc1cccc(c1O)F 62a_100000210624_100009813666 [0,2,0,0,0,0|2,0,0]=4 18982 B13R1.150 CC(C)CSc1cccc(c1O)F 62a_100009813666_100000210760 [0,2,0,0,0,0|2,0,0]=4 18983 B13R1.150 CC(C)CSc1cccc(c1O)N 62a_100000210624_100010084371 [0,2,0,0,0,0|2,0,0]=4 18984 B13R1.150 CC(C)CSc1cccc(c1O)N 62a_100011934915_100000210760 [0,2,0,0,0,0|2,0,0]=4 18985 B13R1.150 CC(C)CSc1cccc(c1O)O 62a_100000210624_100009815950 [0,2,0,0,0,0|2,0,0]=4 18986 B13R1.150 CC(C)NCc1cccc(c1Br)Br 207a_100138425928_100010240334 [0,2,0,0,0,0|2,0,0]=4 18987 B13R1.150 CC(C)NCc1cccc(c1Br)Cl 207a_100138425928_100010232083 [0,2,0,0,0,0|2,0,0]=4 18988 B13R1.150 CC(C)NCc1cccc(c1Br)Cl 2230a_100138425928_100010145525 [0,2,0,0,0,0|2,0,0]=4 18989 B13R1.150 CC(C)NCc1cccc(c1Br)Cl 34a_100138425928_100010145525 [0,2,0,0,0,0|2,0,0]=4 18990 B13R1.150 CC(C)NCc1cccc(c1Br)F 207a_100138425928_100011934749 [0,2,0,0,0,0|2,0,0]=4 18991 B13R1.150 CC(C)NCc1cccc(c1Br)F 2230a_100020638964_100000210206 [0,2,0,0,0,0|2,0,0]=4 18992 B13R1.150 CC(C)NCc1cccc(c1Br)F 2230a_100138425928_100012351116 [0,2,0,0,0,0|2,0,0]=4 18993 B13R1.150 CC(C)NCc1cccc(c1Br)F 34a_100020638964_100000210206 [0,2,0,0,0,0|2,0,0]=4 18994 B13R1.150 CC(C)NCc1cccc(c1Br)F 34a_100138425928_100012351116 [0,2,0,0,0,0|2,0,0]=4 18995 B13R1.150 CC(C)NCc1cccc(c1Br)I 2230a_100138425928_100010254545 [0,2,0,0,0,0|2,0,0]=4 18996 B13R1.150 CC(C)NCc1cccc(c1Br)I 34a_100138425928_100010254545 [0,2,0,0,0,0|2,0,0]=4 18997 B13R1.150 CC(C)NCc1cccc(c1Cl)Br 207a_100138425928_100012362481 [0,2,0,0,0,0|2,0,0]=4 18998 B13R1.150 CC(C)NCc1cccc(c1Cl)Br 2230a_100138425928_100012349491 [0,2,0,0,0,0|2,0,0]=4 18999 B13R1.150 CC(C)NCc1cccc(c1Cl)Br 34a_100138425928_100012349491 [0,2,0,0,0,0|2,0,0]=4 19000 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 207a_100138425928_100000210504 [0,2,0,0,0,0|2,0,0]=4 19001 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 2230a_100011211633_100000210206 [0,2,0,0,0,0|2,0,0]=4 19002 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 2230a_100138425928_100000723366 [0,2,0,0,0,0|2,0,0]=4 19003 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 34a_100011211633_100000210206 [0,2,0,0,0,0|2,0,0]=4 19004 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 34a_100138425928_100000723366 [0,2,0,0,0,0|2,0,0]=4 19005 B13R1.150 CC(C)NCc1cccc(c1Cl)F 207a_100138425928_100011998484 [0,2,0,0,0,0|2,0,0]=4 19006 B13R1.150 CC(C)NCc1cccc(c1Cl)F 2230a_100012001614_100000210206 [0,2,0,0,0,0|2,0,0]=4 19007 B13R1.150 CC(C)NCc1cccc(c1Cl)F 2230a_100138425928_100000696688 [0,2,0,0,0,0|2,0,0]=4 19008 B13R1.150 CC(C)NCc1cccc(c1Cl)F 34a_100012001614_100000210206 [0,2,0,0,0,0|2,0,0]=4 19009 B13R1.150 CC(C)NCc1cccc(c1Cl)F 34a_100138425928_100000696688 [0,2,0,0,0,0|2,0,0]=4 19010 B13R1.150 CC(C)NCc1cccc(c1F)Br 207a_100138425928_100011361543 [0,2,0,0,0,0|2,0,0]=4 19011 B13R1.150 CC(C)NCc1cccc(c1F)Br 2230a_100015189953_100000210206 [0,2,0,0,0,0|2,0,0]=4 19012 B13R1.150 CC(C)NCc1cccc(c1F)Br 2230a_100138425928_100012356506 [0,2,0,0,0,0|2,0,0]=4 19013 B13R1.150 CC(C)NCc1cccc(c1F)Br 34a_100015189953_100000210206 [0,2,0,0,0,0|2,0,0]=4 19014 B13R1.150 CC(C)NCc1cccc(c1F)Br 34a_100138425928_100012356506 [0,2,0,0,0,0|2,0,0]=4 19015 B13R1.150 CC(C)NCc1cccc(c1F)Cl 207a_100138425928_100000766533 [0,2,0,0,0,0|2,0,0]=4 19016 B13R1.150 CC(C)NCc1cccc(c1F)Cl 2230a_100000764326_100000210206 [0,2,0,0,0,0|2,0,0]=4 19017 B13R1.150 CC(C)NCc1cccc(c1F)Cl 2230a_100138425928_100000716733 [0,2,0,0,0,0|2,0,0]=4 19018 B13R1.150 CC(C)NCc1cccc(c1F)Cl 34a_100000764326_100000210206 [0,2,0,0,0,0|2,0,0]=4 19019 B13R1.150 CC(C)NCc1cccc(c1F)Cl 34a_100138425928_100000716733 [0,2,0,0,0,0|2,0,0]=4 19020 B13R1.150 CC(C)NCc1cccc(c1F)F 207a_100138425928_100000753312 [0,2,0,0,0,0|2,0,0]=4 19021 B13R1.150 CC(C)NCc1cccc(c1F)F 2230a_100011199105_100000210206 [0,2,0,0,0,0|2,0,0]=4 19022 B13R1.150 CC(C)NCc1cccc(c1F)F 2230a_100138425928_100000217499 [0,2,0,0,0,0|2,0,0]=4 19023 B13R1.150 CC(C)NCc1cccc(c1F)F 34a_100011199105_100000210206 [0,2,0,0,0,0|2,0,0]=4 19024 B13R1.150 CC(C)NCc1cccc(c1F)F 34a_100138425928_100000217499 [0,2,0,0,0,0|2,0,0]=4 19025 B13R1.150 CC(C)NCc1cccc(c1F)I 207a_100138425928_100010202174 [0,2,0,0,0,0|2,0,0]=4 19026 B13R1.150 CC(C)NCc1cccc(c1F)O 271570a_203496583355_200012662971 [0,2,0,0,0,0|2,0,0]=4 19027 B13R1.150 CC(C)NCc1cccc(c1F)O 34a_100025773512_100000210206 [0,2,0,0,0,0|2,0,0]=4 19028 B13R1.150 CC(C)NCc1cccc(c1I)F 207a_100138425928_100010186293 [0,2,0,0,0,0|2,0,0]=4 19029 B13R1.150 CC(C)NCc1cccc(c1I)F 2230a_100138425928_100010149603 [0,2,0,0,0,0|2,0,0]=4 19030 B13R1.150 CC(C)NCc1cccc(c1I)F 34a_100138425928_100010149603 [0,2,0,0,0,0|2,0,0]=4 19031 B13R1.150 CC(C)OCc1cccc(c1Br)Cl 34a_100000212225_100010145525 [0,2,0,0,0,0|2,0,0]=4 19032 B13R1.150 CC(C)OCc1cccc(c1Br)Cl 34a_100010168166_100000210206 [0,2,0,0,0,0|2,0,0]=4 19033 B13R1.150 CC(C)OCc1cccc(c1Br)Cl 7a_100010168166_100000210206 [0,2,0,0,0,0|2,0,0]=4 19034 B13R1.150 CC(C)OCc1cccc(c1Br)F 34a_100000212225_100012351116 [0,2,0,0,0,0|2,0,0]=4 19035 B13R1.150 CC(C)OCc1cccc(c1Br)F 34a_100012351117_100000210206 [0,2,0,0,0,0|2,0,0]=4 19036 B13R1.150 CC(C)OCc1cccc(c1Br)F 7a_100012351117_100000210206 [0,2,0,0,0,0|2,0,0]=4 19037 B13R1.150 CC(C)OCc1cccc(c1Br)I 34a_100000212225_100010254545 [0,2,0,0,0,0|2,0,0]=4 19038 B13R1.150 CC(C)OCc1cccc(c1Br)I 34a_100010240205_100000210206 [0,2,0,0,0,0|2,0,0]=4 19039 B13R1.150 CC(C)OCc1cccc(c1Br)I 7a_100010240205_100000210206 [0,2,0,0,0,0|2,0,0]=4 19040 B13R1.150 CC(C)OCc1cccc(c1Cl)Br 34a_100000212225_100012349491 [0,2,0,0,0,0|2,0,0]=4 19041 B13R1.150 CC(C)OCc1cccc(c1Cl)Br 34a_100012351182_100000210206 [0,2,0,0,0,0|2,0,0]=4 19042 B13R1.150 CC(C)OCc1cccc(c1Cl)Br 7a_100012351182_100000210206 [0,2,0,0,0,0|2,0,0]=4 19043 B13R1.150 CC(C)OCc1cccc(c1Cl)Cl 34a_100000212225_100000723366 [0,2,0,0,0,0|2,0,0]=4 19044 B13R1.150 CC(C)OCc1cccc(c1Cl)Cl 34a_100000720469_100000210206 [0,2,0,0,0,0|2,0,0]=4 19045 B13R1.150 CC(C)OCc1cccc(c1Cl)Cl 7a_100000720469_100000210206 [0,2,0,0,0,0|2,0,0]=4 19046 B13R1.150 CC(C)OCc1cccc(c1Cl)F 34a_100000212225_100000696688 [0,2,0,0,0,0|2,0,0]=4 19047 B13R1.150 CC(C)OCc1cccc(c1Cl)F 34a_100000696319_100000210206 [0,2,0,0,0,0|2,0,0]=4 19048 B13R1.150 CC(C)OCc1cccc(c1Cl)F 7a_100000696319_100000210206 [0,2,0,0,0,0|2,0,0]=4 19049 B13R1.150 CC(C)OCc1cccc(c1F)Br 34a_100000212225_100012356506 [0,2,0,0,0,0|2,0,0]=4 19050 B13R1.150 CC(C)OCc1cccc(c1F)Br 34a_100011935076_100000210206 [0,2,0,0,0,0|2,0,0]=4 19051 B13R1.150 CC(C)OCc1cccc(c1F)Br 7a_100011935076_100000210206 [0,2,0,0,0,0|2,0,0]=4 19052 B13R1.150 CC(C)OCc1cccc(c1F)Cl 34a_100000212225_100000716733 [0,2,0,0,0,0|2,0,0]=4 19053 B13R1.150 CC(C)OCc1cccc(c1F)Cl 34a_100011216988_100000210206 [0,2,0,0,0,0|2,0,0]=4 19054 B13R1.150 CC(C)OCc1cccc(c1F)Cl 7a_100011216988_100000210206 [0,2,0,0,0,0|2,0,0]=4 19055 B13R1.150 CC(C)OCc1cccc(c1F)F 34a_100000212225_100000217499 [0,2,0,0,0,0|2,0,0]=4 19056 B13R1.150 CC(C)OCc1cccc(c1F)F 34a_100011218644_100000210206 [0,2,0,0,0,0|2,0,0]=4 19057 B13R1.150 CC(C)OCc1cccc(c1F)F 7a_100011218644_100000210206 [0,2,0,0,0,0|2,0,0]=4 19058 B13R1.150 CC(C)OCc1cccc(c1F)I 34a_200010235739_100000210206 [0,2,0,0,0,0|2,0,0]=4 19059 B13R1.150 CC(C)OCc1cccc(c1F)I 7a_200010235739_100000210206 [0,2,0,0,0,0|2,0,0]=4 19060 B13R1.150 CC(C)OCc1cccc(c1F)N 34a_100012023829_100000210206 [0,2,0,0,0,0|2,0,0]=4 19061 B13R1.150 CC(C)OCc1cccc(c1I)Br 34a_100010146604_100000210206 [0,2,0,0,0,0|2,0,0]=4 19062 B13R1.150 CC(C)OCc1cccc(c1I)Br 7a_100010146604_100000210206 [0,2,0,0,0,0|2,0,0]=4 19063 B13R1.150 CC(C)OCc1cccc(c1I)F 34a_100000212225_100010149603 [0,2,0,0,0,0|2,0,0]=4 19064 B13R1.150 CC(C)OCc1cccc(c1I)F 34a_100000692438_100000210206 [0,2,0,0,0,0|2,0,0]=4 19065 B13R1.150 CC(C)OCc1cccc(c1I)F 7a_100000692438_100000210206 [0,2,0,0,0,0|2,0,0]=4 19066 B13R1.150 CC(C)OCc1cccc(c1N)Br 34a_100012349457_100000210206 [0,2,0,0,0,0|2,0,0]=4 19067 B13R1.150 CC(C)OCc1cccc(c1N)Cl 34a_100012182729_100000210206 [0,2,0,0,0,0|2,0,0]=4 19068 B13R1.150 CC(C)OCc1cccc(c1N)F 34a_100000692437_100000210206 [0,2,0,0,0,0|2,0,0]=4 19069 B13R1.150 CC(C)SCc1cccc(c1Br)Cl 62a_100000210206_100010145525 [0,2,0,0,0,0|2,0,0]=4 19070 B13R1.150 CC(C)SCc1cccc(c1Br)Cl 62a_100010145525_100000210206 [0,2,0,0,0,0|2,0,0]=4 19071 B13R1.150 CC(C)SCc1cccc(c1Br)F 62a_100000210206_100012351116 [0,2,0,0,0,0|2,0,0]=4 19072 B13R1.150 CC(C)SCc1cccc(c1Br)F 62a_100012351116_100000210206 [0,2,0,0,0,0|2,0,0]=4 19073 B13R1.150 CC(C)SCc1cccc(c1Br)I 62a_100000210206_100010254545 [0,2,0,0,0,0|2,0,0]=4 19074 B13R1.150 CC(C)SCc1cccc(c1Br)I 62a_100010254545_100000210206 [0,2,0,0,0,0|2,0,0]=4 19075 B13R1.150 CC(C)SCc1cccc(c1Cl)Br 62a_100000210206_100012349491 [0,2,0,0,0,0|2,0,0]=4 19076 B13R1.150 CC(C)SCc1cccc(c1Cl)Br 62a_100012349491_100000210206 [0,2,0,0,0,0|2,0,0]=4 19077 B13R1.150 CC(C)SCc1cccc(c1Cl)Cl 62a_100000210206_100000723366 [0,2,0,0,0,0|2,0,0]=4 19078 B13R1.150 CC(C)SCc1cccc(c1Cl)Cl 62a_100000720918_100000210206 [0,2,0,0,0,0|2,0,0]=4 19079 B13R1.150 CC(C)SCc1cccc(c1Cl)F 62a_100000210206_100000696688 [0,2,0,0,0,0|2,0,0]=4 19080 B13R1.150 CC(C)SCc1cccc(c1Cl)F 62a_100000696688_100000210206 [0,2,0,0,0,0|2,0,0]=4 19081 B13R1.150 CC(C)SCc1cccc(c1F)Br 62a_100000210206_100012356506 [0,2,0,0,0,0|2,0,0]=4 19082 B13R1.150 CC(C)SCc1cccc(c1F)Br 62a_100012356506_100000210206 [0,2,0,0,0,0|2,0,0]=4 19083 B13R1.150 CC(C)SCc1cccc(c1F)Cl 62a_100000210206_100000716733 [0,2,0,0,0,0|2,0,0]=4 19084 B13R1.150 CC(C)SCc1cccc(c1F)Cl 62a_100000716733_100000210206 [0,2,0,0,0,0|2,0,0]=4 19085 B13R1.150 CC(C)SCc1cccc(c1F)F 62a_100000210206_100000217499 [0,2,0,0,0,0|2,0,0]=4 19086 B13R1.150 CC(C)SCc1cccc(c1F)F 62a_100000217499_100000210206 [0,2,0,0,0,0|2,0,0]=4 19087 B13R1.150 CC(C)SCc1cccc(c1I)F 62a_100000210206_100010149603 [0,2,0,0,0,0|2,0,0]=4 19088 B13R1.150 CC(C)SCc1cccc(c1I)F 62a_100010149603_100000210206 [0,2,0,0,0,0|2,0,0]=4 19089 B13R1.150 CC(O)C=Cc1cccc(c1Br)O 271570a_200011019289_100010187914 [0,2,0,0,0,0|0,0,2]=4 19090 B13R1.150 CC(O)C=Cc1cccc(c1Cl)Br 271570a_200011019289_100010142854 [0,2,0,0,0,0|0,0,2]=4 19091 B13R1.150 CC(O)C=Cc1cccc(c1Cl)Cl 271570a_200011019289_100011215384 [0,2,0,0,0,0|0,0,2]=4 19092 B13R1.150 CC(O)C=Cc1cccc(c1Cl)F 271570a_200011019289_200010234923 [0,2,0,0,0,0|0,0,2]=4 19093 B13R1.150 CC(O)C=Cc1cccc(c1Cl)O 271570a_200011019289_100000049636 [0,2,0,0,0,0|0,0,2]=4 19094 B13R1.150 CC(O)C=Cc1cccc(c1F)Br 271570a_200011019289_100000702267 [0,2,0,0,0,0|0,0,2]=4 19095 B13R1.150 CC(O)C=Cc1cccc(c1F)Cl 271570a_200011019289_100011217346 [0,2,0,0,0,0|0,0,2]=4 19096 B13R1.150 CC(O)C=Cc1cccc(c1F)F 271570a_200011019289_100000694657 [0,2,0,0,0,0|0,0,2]=4 19097 B13R1.150 CC(O)C=Cc1cccc(c1F)N 271570a_200011019289_100011935091 [0,2,0,0,0,0|0,0,2]=4 19098 B13R1.150 CC(O)C=Cc1cccc(c1F)O 271570a_200011019289_100009817021 [0,2,0,0,0,0|0,0,2]=4 19099 B13R1.150 CC(O)C=Cc1cccc(c1N)Br 271570a_200011019289_100010146558 [0,2,0,0,0,0|0,0,2]=4 19100 B13R1.150 CC(O)C=Cc1cccc(c1N)Cl 271570a_200011019289_100010190421 [0,2,0,0,0,0|0,0,2]=4 19101 B13R1.150 CC(O)C=Cc1cccc(c1N)F 271570a_200011019289_100000042321 [0,2,0,0,0,0|0,0,2]=4 19102 B13R1.150 CC(O)C=Cc1cccc(c1N)N 271570a_200011019289_100015191791 [0,2,0,0,0,0|0,0,2]=4 19103 B13R1.150 CC(O)C=Cc1cccc(c1N)O 271570a_200011019289_100011934926 [0,2,0,0,0,0|0,0,2]=4 19104 B13R1.150 CC(O)C=Cc1cccc(c1O)Br 271570a_200011019289_100010084509 [0,2,0,0,0,0|0,0,2]=4 19105 B13R1.150 CC(O)C=Cc1cccc(c1O)Cl 271570a_200011019289_100010202889 [0,2,0,0,0,0|0,0,2]=4 19106 B13R1.150 CC(O)C=Cc1cccc(c1O)F 271570a_200011019289_100009813666 [0,2,0,0,0,0|0,0,2]=4 19107 B13R1.150 CC(O)C=Cc1cccc(c1O)N 271570a_200011019289_100011934915 [0,2,0,0,0,0|0,0,2]=4 19108 B13R1.150 CC(O)C=Cc1cccc(c1O)O 271570a_200011019289_100009815950 [0,2,0,0,0,0|0,0,2]=4 19109 B13R1.150 CC(O)CNc1cccc(c1Br)Cl 34a_100000687072_100011218427 [0,2,0,0,0,0|1,0,0]=3 19110 B13R1.150 CC(O)CNc1cccc(c1Br)F 34a_100011934729_100011218427 [0,2,0,0,0,0|1,0,0]=3 19111 B13R1.150 CC(O)CNc1cccc(c1Br)O 34a_100012183704_100011218427 [0,2,0,0,0,0|1,0,0]=3 19112 B13R1.150 CC(O)CNc1cccc(c1Br)O 7a_100012183704_100011218427 [0,2,0,0,0,0|1,0,0]=3 19113 B13R1.150 CC(O)CNc1cccc(c1Cl)Br 34a_100000687075_100011218427 [0,2,0,0,0,0|1,0,0]=3 19114 B13R1.150 CC(O)CNc1cccc(c1Cl)Cl 34a_100000185733_100011218427 [0,2,0,0,0,0|1,0,0]=3 19115 B13R1.150 CC(O)CNc1cccc(c1Cl)F 34a_100000692321_100011218427 [0,2,0,0,0,0|1,0,0]=3 19116 B13R1.150 CC(O)CNc1cccc(c1Cl)O 34a_100012002038_100011218427 [0,2,0,0,0,0|1,0,0]=3 19117 B13R1.150 CC(O)CNc1cccc(c1Cl)O 7a_100012002038_100011218427 [0,2,0,0,0,0|1,0,0]=3 19118 B13R1.150 CC(O)CNc1cccc(c1F)Br 2230a_100011935091_100011218427 [0,2,0,0,0,0|1,0,0]=3 19119 B13R1.150 CC(O)CNc1cccc(c1F)Br 34a_100011935091_100011218427 [0,2,0,0,0,0|1,0,0]=3 19120 B13R1.150 CC(O)CNc1cccc(c1F)Cl 2230a_100000199060_100011218427 [0,2,0,0,0,0|1,0,0]=3 19121 B13R1.150 CC(O)CNc1cccc(c1F)Cl 34a_100000199060_100011218427 [0,2,0,0,0,0|1,0,0]=3 19122 B13R1.150 CC(O)CNc1cccc(c1F)F 34a_100000743855_100011218427 [0,2,0,0,0,0|1,0,0]=3 19123 B13R1.150 CC(O)CNc1cccc(c1I)Br 34a_100020590159_100011218427 [0,2,0,0,0,0|1,0,0]=3 19124 B13R1.150 CC(O)CNc1cccc(c1I)Cl 34a_100000049713_100011218427 [0,2,0,0,0,0|1,0,0]=3 19125 B13R1.150 CC(O)CNc1cccc(c1I)F 34a_100000690935_100011218427 [0,2,0,0,0,0|1,0,0]=3 19126 B13R1.150 CC(O)CNc1cccc(c1O)Br 34a_100011934915_100011218427 [0,2,0,0,0,0|1,0,0]=3 19127 B13R1.150 CC(O)CNc1cccc(c1O)Cl 34a_100000754742_100011218427 [0,2,0,0,0,0|1,0,0]=3 19128 B13R1.150 CC(O)CNc1cccc(c1O)F 34a_100011934987_100011218427 [0,2,0,0,0,0|1,0,0]=3 19129 B13R1.150 CC(O)CNc1ccnc(c1Br)F 27a_100000210904_100010006599 [0,2,0,0,0,0|2,0,0]=4 19130 B13R1.150 CC(O)CNc1ccnc(c1Cl)F 27a_100000210904_100010067886 [0,2,0,0,0,0|2,0,0]=4 19131 B13R1.150 CC(O)CNc1ccnc(c1F)F 27a_100000210904_100010214882 [0,2,0,0,0,0|2,0,0]=4 19132 B13R1.150 CC(O)COc1cccc(c1Br)Br 34a_100010187966_100011218427 [0,2,0,0,0,0|1,0,0]=3 19133 B13R1.150 CC(O)COc1cccc(c1Br)Br 7a_100010187966_100011218427 [0,2,0,0,0,0|1,0,0]=3 19134 B13R1.150 CC(O)COc1cccc(c1Br)Cl 34a_100012348804_100011218427 [0,2,0,0,0,0|1,0,0]=3 19135 B13R1.150 CC(O)COc1cccc(c1Br)Cl 7a_100012348804_100011218427 [0,2,0,0,0,0|1,0,0]=3 19136 B13R1.150 CC(O)COc1cccc(c1Br)F 34a_100009820682_100011218427 [0,2,0,0,0,0|1,0,0]=3 19137 B13R1.150 CC(O)COc1cccc(c1Br)F 7a_100009820682_100011218427 [0,2,0,0,0,0|1,0,0]=3 19138 B13R1.150 CC(O)COc1cccc(c1Br)I 34a_100010187914_100011218427 [0,2,0,0,0,0|1,0,0]=3 19139 B13R1.150 CC(O)COc1cccc(c1Br)I 7a_100010187914_100011218427 [0,2,0,0,0,0|1,0,0]=3 19140 B13R1.150 CC(O)COc1cccc(c1Br)N 34a_100012183704_100011218427 [0,2,0,0,0,0|1,0,0]=3 19141 B13R1.150 CC(O)COc1cccc(c1Br)N 7a_100012183704_100011218427 [0,2,0,0,0,0|1,0,0]=3 19142 B13R1.150 CC(O)COc1cccc(c1Cl)Br 34a_100010187913_100011218427 [0,2,0,0,0,0|1,0,0]=3 19143 B13R1.150 CC(O)COc1cccc(c1Cl)Br 7a_100010187913_100011218427 [0,2,0,0,0,0|1,0,0]=3 19144 B13R1.150 CC(O)COc1cccc(c1Cl)Cl 34a_100000211076_100011218427 [0,2,0,0,0,0|1,0,0]=3 19145 B13R1.150 CC(O)COc1cccc(c1Cl)Cl 7a_100000211076_100011218427 [0,2,0,0,0,0|1,0,0]=3 19146 B13R1.150 CC(O)COc1cccc(c1Cl)F 34a_100000087408_100011218427 [0,2,0,0,0,0|1,0,0]=3 19147 B13R1.150 CC(O)COc1cccc(c1Cl)F 7a_100000087408_100011218427 [0,2,0,0,0,0|1,0,0]=3 19148 B13R1.150 CC(O)COc1cccc(c1Cl)I 34a_100000049636_100011218427 [0,2,0,0,0,0|1,0,0]=3 19149 B13R1.150 CC(O)COc1cccc(c1Cl)I 7a_100000049636_100011218427 [0,2,0,0,0,0|1,0,0]=3 19150 B13R1.150 CC(O)COc1cccc(c1Cl)N 34a_100012002038_100011218427 [0,2,0,0,0,0|1,0,0]=3 19151 B13R1.150 CC(O)COc1cccc(c1Cl)N 7a_100012002038_100011218427 [0,2,0,0,0,0|1,0,0]=3 19152 B13R1.150 CC(O)COc1cccc(c1F)Br 34a_100009817021_100011218427 [0,2,0,0,0,0|1,0,0]=3 19153 B13R1.150 CC(O)COc1cccc(c1F)Br 7a_100009817021_100011218427 [0,2,0,0,0,0|1,0,0]=3 19154 B13R1.150 CC(O)COc1cccc(c1F)Cl 34a_100000687438_100011218427 [0,2,0,0,0,0|1,0,0]=3 19155 B13R1.150 CC(O)COc1cccc(c1F)Cl 7a_100000687438_100011218427 [0,2,0,0,0,0|1,0,0]=3 19156 B13R1.150 CC(O)COc1cccc(c1F)F 34a_100000751161_100011218427 [0,2,0,0,0,0|1,0,0]=3 19157 B13R1.150 CC(O)COc1cccc(c1F)F 7a_100000751161_100011218427 [0,2,0,0,0,0|1,0,0]=3 19158 B13R1.150 CC(O)COc1cccc(c1I)Br 34a_100010187912_100011218427 [0,2,0,0,0,0|1,0,0]=3 19159 B13R1.150 CC(O)COc1cccc(c1I)Br 7a_100010187912_100011218427 [0,2,0,0,0,0|1,0,0]=3 19160 B13R1.150 CC(O)COc1cccc(c1I)Cl 34a_100000050174_100011218427 [0,2,0,0,0,0|1,0,0]=3 19161 B13R1.150 CC(O)COc1cccc(c1I)Cl 7a_100000050174_100011218427 [0,2,0,0,0,0|1,0,0]=3 19162 B13R1.150 CC(O)COc1cccc(c1I)F 34a_100000690913_100011218427 [0,2,0,0,0,0|1,0,0]=3 19163 B13R1.150 CC(O)COc1cccc(c1I)F 7a_100000690913_100011218427 [0,2,0,0,0,0|1,0,0]=3 19164 B13R1.150 CC(O)COc1cccc(c1N)Br 34a_100011934926_100011218427 [0,2,0,0,0,0|1,0,0]=3 19165 B13R1.150 CC(O)COc1cccc(c1N)Br 7a_100011934926_100011218427 [0,2,0,0,0,0|1,0,0]=3 19166 B13R1.150 CC(O)COc1cccc(c1N)Cl 34a_100012022510_100011218427 [0,2,0,0,0,0|1,0,0]=3 19167 B13R1.150 CC(O)COc1cccc(c1N)Cl 7a_100012022510_100011218427 [0,2,0,0,0,0|1,0,0]=3 19168 B13R1.150 CC(O)COc1cccc(c1N)F 34a_100020591140_100011218427 [0,2,0,0,0,0|1,0,0]=3 19169 B13R1.150 CC(O)COc1cccc(c1N)F 7a_100020591140_100011218427 [0,2,0,0,0,0|1,0,0]=3 19170 B13R1.150 CC(O)COc1cccc(c1N)I 34a_200000049512_100011218427 [0,2,0,0,0,0|1,0,0]=3 19171 B13R1.150 CC(O)COc1cccc(c1N)I 7a_200000049512_100011218427 [0,2,0,0,0,0|1,0,0]=3 19172 B13R1.150 CC(O)COc1cccc(c1N)N 34a_100000033209_100011218427 [0,2,0,0,0,0|1,0,0]=3 19173 B13R1.150 CC(O)COc1cccn(c1=O)C 34a_100000117616_100011218427 [0,2,0,0,0,0|2,0,0]=4 19174 B13R1.150 CC(O)COc1cccn(c1=O)C 7a_100000117616_100011218427 [0,2,0,0,0,0|2,0,0]=4 19175 B13R1.150 CC(O)COc1ccnc(c1Br)Cl 34a_100010136240_100011218427 [0,2,0,0,0,0|2,0,0]=4 19176 B13R1.150 CC(O)COc1ccnc(c1Cl)Cl 34a_100009860235_100011218427 [0,2,0,0,0,0|2,0,0]=4 19177 B13R1.150 CC(O)COc1ccnc(c1F)Br 34a_100009876375_100011218427 [0,2,0,0,0,0|2,0,0]=4 19178 B13R1.150 CC(O)COc1ccnc(c1F)Cl 34a_100009856406_100011218427 [0,2,0,0,0,0|2,0,0]=4 19179 B13R1.150 CC(O)COc1ccnc(c1N)Cl 34a_100000128729_100011218427 [0,2,0,0,0,0|2,0,0]=4 19180 B13R1.150 CC(O)COc1nccc(c1Cl)N 34a_200000093555_100011218427 [0,2,0,0,0,0|2,0,0]=4 19181 B13R1.150 CC(O)CSc1cccc(=O)n1C 62a_100000726605_100011218427 [0,2,0,0,0,0|2,0,0]=4 19182 B13R1.150 CC(O)CSc1cccc(=O)n1C 62a_100011218427_100000726605 [0,2,0,0,0,0|2,0,0]=4 19183 B13R1.150 CC(O)CSc1cccc(c1Br)Br 62a_100010175083_100011218427 [0,2,0,0,0,0|1,0,0]=3 19184 B13R1.150 CC(O)CSc1cccc(c1Br)Br 62a_100011218427_100010175083 [0,2,0,0,0,0|1,0,0]=3 19185 B13R1.150 CC(O)CSc1cccc(c1Br)Cl 62a_100011218427_100014021842 [0,2,0,0,0,0|1,0,0]=3 19186 B13R1.150 CC(O)CSc1cccc(c1Br)Cl 62a_100014021842_100011218427 [0,2,0,0,0,0|1,0,0]=3 19187 B13R1.150 CC(O)CSc1cccc(c1Br)F 62a_100010202630_100011218427 [0,2,0,0,0,0|1,0,0]=3 19188 B13R1.150 CC(O)CSc1cccc(c1Br)F 62a_100011218427_100010202630 [0,2,0,0,0,0|1,0,0]=3 19189 B13R1.150 CC(O)CSc1cccc(c1Br)O 62a_100010187914_100011218427 [0,2,0,0,0,0|1,0,0]=3 19190 B13R1.150 CC(O)CSc1cccc(c1Br)O 62a_100011218427_100010187914 [0,2,0,0,0,0|1,0,0]=3 19191 B13R1.150 CC(O)CSc1cccc(c1Cl)Br 62a_100010142854_100011218427 [0,2,0,0,0,0|1,0,0]=3 19192 B13R1.150 CC(O)CSc1cccc(c1Cl)Br 62a_100011218427_100010142854 [0,2,0,0,0,0|1,0,0]=3 19193 B13R1.150 CC(O)CSc1cccc(c1Cl)Cl 62a_100011215384_100011218427 [0,2,0,0,0,0|1,0,0]=3 19194 B13R1.150 CC(O)CSc1cccc(c1Cl)Cl 62a_100011218427_100011215384 [0,2,0,0,0,0|1,0,0]=3 19195 B13R1.150 CC(O)CSc1cccc(c1Cl)F 62a_100011218427_200010234923 [0,2,0,0,0,0|1,0,0]=3 19196 B13R1.150 CC(O)CSc1cccc(c1Cl)F 62a_200010234923_100011218427 [0,2,0,0,0,0|1,0,0]=3 19197 B13R1.150 CC(O)CSc1cccc(c1Cl)O 62a_100011218427_100000049636 [0,2,0,0,0,0|1,0,0]=3 19198 B13R1.150 CC(O)CSc1cccc(c1F)Br 62a_100000702267_100011218427 [0,2,0,0,0,0|1,0,0]=3 19199 B13R1.150 CC(O)CSc1cccc(c1F)Br 62a_100011218427_100000702267 [0,2,0,0,0,0|1,0,0]=3 19200 B13R1.150 CC(O)CSc1cccc(c1F)Cl 62a_100011217346_100011218427 [0,2,0,0,0,0|1,0,0]=3 19201 B13R1.150 CC(O)CSc1cccc(c1F)Cl 62a_100011218427_100011217346 [0,2,0,0,0,0|1,0,0]=3 19202 B13R1.150 CC(O)CSc1cccc(c1F)F 62a_100000694657_100011218427 [0,2,0,0,0,0|1,0,0]=3 19203 B13R1.150 CC(O)CSc1cccc(c1F)F 62a_100011218427_100000694657 [0,2,0,0,0,0|1,0,0]=3 19204 B13R1.150 CC(O)CSc1cccc(c1F)N 62a_100011218427_100011935091 [0,2,0,0,0,0|1,0,0]=3 19205 B13R1.150 CC(O)CSc1cccc(c1F)N 62a_100011935091_100011218427 [0,2,0,0,0,0|1,0,0]=3 19206 B13R1.150 CC(O)CSc1cccc(c1F)O 62a_100009817021_100011218427 [0,2,0,0,0,0|1,0,0]=3 19207 B13R1.150 CC(O)CSc1cccc(c1F)O 62a_100011218427_100009817021 [0,2,0,0,0,0|1,0,0]=3 19208 B13R1.150 CC(O)CSc1cccc(c1N)Br 62a_100010146558_100011218427 [0,2,0,0,0,0|1,0,0]=3 19209 B13R1.150 CC(O)CSc1cccc(c1N)Br 62a_100011218427_100010146558 [0,2,0,0,0,0|1,0,0]=3 19210 B13R1.150 CC(O)CSc1cccc(c1N)Cl 62a_100010190421_100011218427 [0,2,0,0,0,0|1,0,0]=3 19211 B13R1.150 CC(O)CSc1cccc(c1N)Cl 62a_100011218427_100010190421 [0,2,0,0,0,0|1,0,0]=3 19212 B13R1.150 CC(O)CSc1cccc(c1N)F 62a_100000042321_100011218427 [0,2,0,0,0,0|1,0,0]=3 19213 B13R1.150 CC(O)CSc1cccc(c1N)F 62a_100011218427_100000042321 [0,2,0,0,0,0|1,0,0]=3 19214 B13R1.150 CC(O)CSc1cccc(c1N)N 62a_100015191791_100011218427 [0,2,0,0,0,0|1,0,0]=3 19215 B13R1.150 CC(O)CSc1cccc(c1N)O 62a_100011218427_100011934926 [0,2,0,0,0,0|1,0,0]=3 19216 B13R1.150 CC(O)CSc1cccc(c1O)Br 62a_100010084509_100011218427 [0,2,0,0,0,0|1,0,0]=3 19217 B13R1.150 CC(O)CSc1cccc(c1O)Br 62a_100011218427_100010084509 [0,2,0,0,0,0|1,0,0]=3 19218 B13R1.150 CC(O)CSc1cccc(c1O)Cl 62a_100010202889_100011218427 [0,2,0,0,0,0|1,0,0]=3 19219 B13R1.150 CC(O)CSc1cccc(c1O)Cl 62a_100011218427_100010202889 [0,2,0,0,0,0|1,0,0]=3 19220 B13R1.150 CC(O)CSc1cccc(c1O)F 62a_100009813666_100011218427 [0,2,0,0,0,0|1,0,0]=3 19221 B13R1.150 CC(O)CSc1cccc(c1O)F 62a_100011218427_100009813666 [0,2,0,0,0,0|1,0,0]=3 19222 B13R1.150 CC(O)CSc1cccc(c1O)N 62a_100011218427_100010084371 [0,2,0,0,0,0|1,0,0]=3 19223 B13R1.150 CC(O)CSc1cccc(c1O)N 62a_100011934915_100011218427 [0,2,0,0,0,0|1,0,0]=3 19224 B13R1.150 CC(O)CSc1cccc(c1O)O 62a_100011218427_100009815950 [0,2,0,0,0,0|1,0,0]=3 19225 B13R1.150 CC(O)CSc1cccn(c1=O)C 62a_100000687173_100011218427 [0,2,0,0,0,0|2,0,0]=4 19226 B13R1.150 CC(O)CSc1cccn(c1=O)C 62a_100011218427_100000687173 [0,2,0,0,0,0|2,0,0]=4 19227 B13R1.150 CC(O)CSc1ccnc(c1Br)F 62a_100010006599_100011218427 [0,2,0,0,0,0|2,0,0]=4 19228 B13R1.150 CC(O)CSc1ccnc(c1Br)F 62a_100011218427_100010006599 [0,2,0,0,0,0|2,0,0]=4 19229 B13R1.150 CC(O)CSc1ccnc(c1Cl)Cl 62a_100010246212_100011218427 [0,2,0,0,0,0|2,0,0]=4 19230 B13R1.150 CC(O)CSc1ccnc(c1Cl)Cl 62a_100011218427_100010246212 [0,2,0,0,0,0|2,0,0]=4 19231 B13R1.150 CC(O)CSc1ccnc(c1Cl)F 62a_100010067886_100011218427 [0,2,0,0,0,0|2,0,0]=4 19232 B13R1.150 CC(O)CSc1ccnc(c1Cl)F 62a_100011218427_100010067886 [0,2,0,0,0,0|2,0,0]=4 19233 B13R1.150 CC(O)CSc1ccnc(c1Cl)N 62a_100010735111_100011218427 [0,2,0,0,0,0|2,0,0]=4 19234 B13R1.150 CC(O)CSc1ccnc(c1Cl)N 62a_100011218427_100010735111 [0,2,0,0,0,0|2,0,0]=4 19235 B13R1.150 CC(O)CSc1ccnc(c1F)Br 62a_100011218427_200015269031 [0,2,0,0,0,0|2,0,0]=4 19236 B13R1.150 CC(O)CSc1ccnc(c1F)Br 62a_200015269031_100011218427 [0,2,0,0,0,0|2,0,0]=4 19237 B13R1.150 CC(O)CSc1ccnc(c1F)Cl 62a_100010150473_100011218427 [0,2,0,0,0,0|2,0,0]=4 19238 B13R1.150 CC(O)CSc1ccnc(c1F)Cl 62a_100011218427_100010150473 [0,2,0,0,0,0|2,0,0]=4 19239 B13R1.150 CC(O)CSc1ccnc(c1F)F 62a_100010214882_100011218427 [0,2,0,0,0,0|2,0,0]=4 19240 B13R1.150 CC(O)CSc1ccnc(c1F)F 62a_100011218427_100010214882 [0,2,0,0,0,0|2,0,0]=4 19241 B13R1.150 CC(O)CSc1ccnc(c1F)N 62a_100010077785_100011218427 [0,2,0,0,0,0|2,0,0]=4 19242 B13R1.150 CC(O)CSc1ccnc(c1F)N 62a_100011218427_100010077785 [0,2,0,0,0,0|2,0,0]=4 19243 B13R1.150 CC(O)CSc1ccnc(c1N)N 62a_100000124095_100011218427 [0,2,0,0,0,0|2,0,0]=4 19244 B13R1.150 CC(O)CSc1ccnc(c1O)Cl 62a_100011218427_100010067911 [0,2,0,0,0,0|2,0,0]=4 19245 B13R1.150 CC(O)CSc1cncc(c1N)Br 62a_100011218427_100011290786 [0,2,0,0,0,0|2,0,0]=4 19246 B13R1.150 CC(O)CSc1cncc(c1N)Br 62a_100011290786_100011218427 [0,2,0,0,0,0|2,0,0]=4 19247 B13R1.150 CC(O)CSc1cncc(c1N)Cl 62a_100000684942_100011218427 [0,2,0,0,0,0|2,0,0]=4 19248 B13R1.150 CC(O)CSc1cncc(c1N)Cl 62a_100011218427_100000684942 [0,2,0,0,0,0|2,0,0]=4 19249 B13R1.150 CC(O)CSc1cncc(c1N)F 62a_100009880649_100011218427 [0,2,0,0,0,0|2,0,0]=4 19250 B13R1.150 CC(O)CSc1cncc(c1N)F 62a_100011218427_100009880649 [0,2,0,0,0,0|2,0,0]=4 19251 B13R1.150 CC(O)CSc1cncc(c1N)N 62a_100000694774_100011218427 [0,2,0,0,0,0|2,0,0]=4 19252 B13R1.150 CC(O)CSc1cncc(c1N)N 62a_100011218427_100000694774 [0,2,0,0,0,0|2,0,0]=4 19253 B13R1.150 CC(O)CSc1cncc(c1O)N 62a_100000694263_100011218427 [0,2,0,0,0,0|2,0,0]=4 19254 B13R1.150 CC(O)CSc1cncc(c1O)N 62a_100011218427_100000694263 [0,2,0,0,0,0|2,0,0]=4 19255 B13R1.150 CC(O)CSc1nccc(c1F)N 62a_100011218427_100015205195 [0,2,0,0,0,0|2,0,0]=4 19256 B13R1.150 CC(O)CSc1nccc(c1F)N 62a_100015205195_100011218427 [0,2,0,0,0,0|2,0,0]=4 19257 B13R1.150 CC(O)CSc1nccc(c1F)O 62a_100009876375_100011218427 [0,2,0,0,0,0|2,0,0]=4 19258 B13R1.150 CC(O)CSc1nccc(c1F)O 62a_100011218427_100009876375 [0,2,0,0,0,0|2,0,0]=4 19259 B13R1.150 CC(O)CSc1nccc(c1N)N 62a_100000085203_100011218427 [0,2,0,0,0,0|2,0,0]=4 19260 B13R1.150 CC(O)CSc1nccc(c1N)N 62a_100011218427_100000085203 [0,2,0,0,0,0|2,0,0]=4 19261 B13R1.150 CC(O)CSc1nccc(c1O)F 62a_100011218427_100009867227 [0,2,0,0,0,0|2,0,0]=4 19262 B13R1.150 CC(O)CSc1nccc(c1O)N 62a_100011218427_100009844647 [0,2,0,0,0,0|2,0,0]=4 19263 B13R1.150 CN(C)CCc1cccc(c1Cl)Cl 2230a_100102631434_100000723033 [0,2,0,0,0,0|2,0,0]=4 19264 B13R1.150 CN(C)CCc1cccc(c1Cl)Cl 269982a_100102631434_100000723033 [0,2,0,0,0,0|2,0,0]=4 19265 B13R1.150 C[C@@H](O)CNc1cccc(c1Br)Cl 34a_100000687072_100009817552 [0,2,0,0,0,0|1,0,0]=3 19266 B13R1.150 C[C@@H](O)CNc1cccc(c1Br)F 34a_100011934729_100009817552 [0,2,0,0,0,0|1,0,0]=3 19267 B13R1.150 C[C@@H](O)CNc1cccc(c1Br)O 34a_100012183704_100009817552 [0,2,0,0,0,0|1,0,0]=3 19268 B13R1.150 C[C@@H](O)CNc1cccc(c1Br)O 7a_100012183704_100009817552 [0,2,0,0,0,0|1,0,0]=3 19269 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)Br 34a_100000687075_100009817552 [0,2,0,0,0,0|1,0,0]=3 19270 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)Cl 34a_100000185733_100009817552 [0,2,0,0,0,0|1,0,0]=3 19271 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)F 34a_100000692321_100009817552 [0,2,0,0,0,0|1,0,0]=3 19272 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)O 34a_100012002038_100009817552 [0,2,0,0,0,0|1,0,0]=3 19273 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)O 7a_100012002038_100009817552 [0,2,0,0,0,0|1,0,0]=3 19274 B13R1.150 C[C@@H](O)CNc1cccc(c1F)Br 2230a_100011935091_100009817552 [0,2,0,0,0,0|1,0,0]=3 19275 B13R1.150 C[C@@H](O)CNc1cccc(c1F)Br 34a_100011935091_100009817552 [0,2,0,0,0,0|1,0,0]=3 19276 B13R1.150 C[C@@H](O)CNc1cccc(c1F)Cl 2230a_100000199060_100009817552 [0,2,0,0,0,0|1,0,0]=3 19277 B13R1.150 C[C@@H](O)CNc1cccc(c1F)Cl 34a_100000199060_100009817552 [0,2,0,0,0,0|1,0,0]=3 19278 B13R1.150 C[C@@H](O)CNc1cccc(c1F)F 34a_100000743855_100009817552 [0,2,0,0,0,0|1,0,0]=3 19279 B13R1.150 C[C@@H](O)CNc1cccc(c1I)Br 34a_100020590159_100009817552 [0,2,0,0,0,0|1,0,0]=3 19280 B13R1.150 C[C@@H](O)CNc1cccc(c1I)Cl 34a_100000049713_100009817552 [0,2,0,0,0,0|1,0,0]=3 19281 B13R1.150 C[C@@H](O)CNc1cccc(c1I)F 34a_100000690935_100009817552 [0,2,0,0,0,0|1,0,0]=3 19282 B13R1.150 C[C@@H](O)CNc1cccc(c1O)Br 34a_100011934915_100009817552 [0,2,0,0,0,0|1,0,0]=3 19283 B13R1.150 C[C@@H](O)CNc1cccc(c1O)Cl 34a_100000754742_100009817552 [0,2,0,0,0,0|1,0,0]=3 19284 B13R1.150 C[C@@H](O)CNc1cccc(c1O)F 34a_100011934987_100009817552 [0,2,0,0,0,0|1,0,0]=3 19285 B13R1.150 C[C@@H](O)COc1cccc(c1Br)Br 34a_100010187966_100009817552 [0,2,0,0,0,0|1,0,0]=3 19286 B13R1.150 C[C@@H](O)COc1cccc(c1Br)Br 7a_100010187966_100009817552 [0,2,0,0,0,0|1,0,0]=3 19287 B13R1.150 C[C@@H](O)COc1cccc(c1Br)Cl 34a_100012348804_100009817552 [0,2,0,0,0,0|1,0,0]=3 19288 B13R1.150 C[C@@H](O)COc1cccc(c1Br)Cl 7a_100012348804_100009817552 [0,2,0,0,0,0|1,0,0]=3 19289 B13R1.150 C[C@@H](O)COc1cccc(c1Br)F 34a_100009820682_100009817552 [0,2,0,0,0,0|1,0,0]=3 19290 B13R1.150 C[C@@H](O)COc1cccc(c1Br)F 7a_100009820682_100009817552 [0,2,0,0,0,0|1,0,0]=3 19291 B13R1.150 C[C@@H](O)COc1cccc(c1Br)I 34a_100010187914_100009817552 [0,2,0,0,0,0|1,0,0]=3 19292 B13R1.150 C[C@@H](O)COc1cccc(c1Br)I 7a_100010187914_100009817552 [0,2,0,0,0,0|1,0,0]=3 19293 B13R1.150 C[C@@H](O)COc1cccc(c1Br)N 34a_100012183704_100009817552 [0,2,0,0,0,0|1,0,0]=3 19294 B13R1.150 C[C@@H](O)COc1cccc(c1Br)N 7a_100012183704_100009817552 [0,2,0,0,0,0|1,0,0]=3 19295 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Br 34a_100010187913_100009817552 [0,2,0,0,0,0|1,0,0]=3 19296 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Br 7a_100010187913_100009817552 [0,2,0,0,0,0|1,0,0]=3 19297 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Cl 34a_100000211076_100009817552 [0,2,0,0,0,0|1,0,0]=3 19298 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Cl 7a_100000211076_100009817552 [0,2,0,0,0,0|1,0,0]=3 19299 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)F 34a_100000087408_100009817552 [0,2,0,0,0,0|1,0,0]=3 19300 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)F 7a_100000087408_100009817552 [0,2,0,0,0,0|1,0,0]=3 19301 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)I 34a_100000049636_100009817552 [0,2,0,0,0,0|1,0,0]=3 19302 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)I 7a_100000049636_100009817552 [0,2,0,0,0,0|1,0,0]=3 19303 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)N 34a_100012002038_100009817552 [0,2,0,0,0,0|1,0,0]=3 19304 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)N 7a_100012002038_100009817552 [0,2,0,0,0,0|1,0,0]=3 19305 B13R1.150 C[C@@H](O)COc1cccc(c1F)Br 34a_100009817021_100009817552 [0,2,0,0,0,0|1,0,0]=3 19306 B13R1.150 C[C@@H](O)COc1cccc(c1F)Br 7a_100009817021_100009817552 [0,2,0,0,0,0|1,0,0]=3 19307 B13R1.150 C[C@@H](O)COc1cccc(c1F)Cl 34a_100000687438_100009817552 [0,2,0,0,0,0|1,0,0]=3 19308 B13R1.150 C[C@@H](O)COc1cccc(c1F)Cl 7a_100000687438_100009817552 [0,2,0,0,0,0|1,0,0]=3 19309 B13R1.150 C[C@@H](O)COc1cccc(c1F)F 34a_100000751161_100009817552 [0,2,0,0,0,0|1,0,0]=3 19310 B13R1.150 C[C@@H](O)COc1cccc(c1F)F 7a_100000751161_100009817552 [0,2,0,0,0,0|1,0,0]=3 19311 B13R1.150 C[C@@H](O)COc1cccc(c1I)Br 34a_100010187912_100009817552 [0,2,0,0,0,0|1,0,0]=3 19312 B13R1.150 C[C@@H](O)COc1cccc(c1I)Br 7a_100010187912_100009817552 [0,2,0,0,0,0|1,0,0]=3 19313 B13R1.150 C[C@@H](O)COc1cccc(c1I)Cl 34a_100000050174_100009817552 [0,2,0,0,0,0|1,0,0]=3 19314 B13R1.150 C[C@@H](O)COc1cccc(c1I)Cl 7a_100000050174_100009817552 [0,2,0,0,0,0|1,0,0]=3 19315 B13R1.150 C[C@@H](O)COc1cccc(c1I)F 34a_100000690913_100009817552 [0,2,0,0,0,0|1,0,0]=3 19316 B13R1.150 C[C@@H](O)COc1cccc(c1I)F 7a_100000690913_100009817552 [0,2,0,0,0,0|1,0,0]=3 19317 B13R1.150 C[C@@H](O)COc1cccc(c1N)Br 34a_100011934926_100009817552 [0,2,0,0,0,0|1,0,0]=3 19318 B13R1.150 C[C@@H](O)COc1cccc(c1N)Br 7a_100011934926_100009817552 [0,2,0,0,0,0|1,0,0]=3 19319 B13R1.150 C[C@@H](O)COc1cccc(c1N)Cl 34a_100012022510_100009817552 [0,2,0,0,0,0|1,0,0]=3 19320 B13R1.150 C[C@@H](O)COc1cccc(c1N)Cl 7a_100012022510_100009817552 [0,2,0,0,0,0|1,0,0]=3 19321 B13R1.150 C[C@@H](O)COc1cccc(c1N)F 34a_100020591140_100009817552 [0,2,0,0,0,0|1,0,0]=3 19322 B13R1.150 C[C@@H](O)COc1cccc(c1N)F 7a_100020591140_100009817552 [0,2,0,0,0,0|1,0,0]=3 19323 B13R1.150 C[C@@H](O)COc1cccc(c1N)I 34a_200000049512_100009817552 [0,2,0,0,0,0|1,0,0]=3 19324 B13R1.150 C[C@@H](O)COc1cccc(c1N)I 7a_200000049512_100009817552 [0,2,0,0,0,0|1,0,0]=3 19325 B13R1.150 C[C@@H](O)COc1cccc(c1N)N 34a_100000033209_100009817552 [0,2,0,0,0,0|1,0,0]=3 19326 B13R1.150 C[C@@H](O)COc1cccn(c1=O)C 34a_100000117616_100009817552 [0,2,0,0,0,0|2,0,0]=4 19327 B13R1.150 C[C@@H](O)COc1cccn(c1=O)C 7a_100000117616_100009817552 [0,2,0,0,0,0|2,0,0]=4 19328 B13R1.150 C[C@@H](O)COc1ccnc(c1Br)Cl 34a_100010136240_100009817552 [0,2,0,0,0,0|2,0,0]=4 19329 B13R1.150 C[C@@H](O)COc1ccnc(c1Cl)Cl 34a_100009860235_100009817552 [0,2,0,0,0,0|2,0,0]=4 19330 B13R1.150 C[C@@H](O)COc1ccnc(c1F)Br 34a_100009876375_100009817552 [0,2,0,0,0,0|2,0,0]=4 19331 B13R1.150 C[C@@H](O)COc1ccnc(c1F)Cl 34a_100009856406_100009817552 [0,2,0,0,0,0|2,0,0]=4 19332 B13R1.150 C[C@@H](O)COc1ccnc(c1N)Cl 34a_100000128729_100009817552 [0,2,0,0,0,0|2,0,0]=4 19333 B13R1.150 C[C@@H](O)COc1nccc(c1Cl)N 34a_200000093555_100009817552 [0,2,0,0,0,0|2,0,0]=4 19334 B13R1.150 C[C@@H](O)CSc1cccc(=O)n1C 62a_100000726605_100009817552 [0,2,0,0,0,0|2,0,0]=4 19335 B13R1.150 C[C@@H](O)CSc1cccc(=O)n1C 62a_100009817552_100000726605 [0,2,0,0,0,0|2,0,0]=4 19336 B13R1.150 C[C@@H](O)CSc1cccc(c1Br)Br 62a_100009817552_100010175083 [0,2,0,0,0,0|1,0,0]=3 19337 B13R1.150 C[C@@H](O)CSc1cccc(c1Br)Br 62a_100010175083_100009817552 [0,2,0,0,0,0|1,0,0]=3 19338 B13R1.150 C[C@@H](O)CSc1cccc(c1Br)Cl 62a_100009817552_100014021842 [0,2,0,0,0,0|1,0,0]=3 19339 B13R1.150 C[C@@H](O)CSc1cccc(c1Br)Cl 62a_100014021842_100009817552 [0,2,0,0,0,0|1,0,0]=3 19340 B13R1.150 C[C@@H](O)CSc1cccc(c1Br)F 62a_100009817552_100010202630 [0,2,0,0,0,0|1,0,0]=3 19341 B13R1.150 C[C@@H](O)CSc1cccc(c1Br)F 62a_100010202630_100009817552 [0,2,0,0,0,0|1,0,0]=3 19342 B13R1.150 C[C@@H](O)CSc1cccc(c1Br)O 62a_100009817552_100010187914 [0,2,0,0,0,0|1,0,0]=3 19343 B13R1.150 C[C@@H](O)CSc1cccc(c1Br)O 62a_100010187914_100009817552 [0,2,0,0,0,0|1,0,0]=3 19344 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)Br 62a_100009817552_100010142854 [0,2,0,0,0,0|1,0,0]=3 19345 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)Br 62a_100010142854_100009817552 [0,2,0,0,0,0|1,0,0]=3 19346 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)Cl 62a_100009817552_100011215384 [0,2,0,0,0,0|1,0,0]=3 19347 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)Cl 62a_100011215384_100009817552 [0,2,0,0,0,0|1,0,0]=3 19348 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)F 62a_100009817552_200010234923 [0,2,0,0,0,0|1,0,0]=3 19349 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)F 62a_200010234923_100009817552 [0,2,0,0,0,0|1,0,0]=3 19350 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)O 62a_100009817552_100000049636 [0,2,0,0,0,0|1,0,0]=3 19351 B13R1.150 C[C@@H](O)CSc1cccc(c1F)Br 62a_100000702267_100009817552 [0,2,0,0,0,0|1,0,0]=3 19352 B13R1.150 C[C@@H](O)CSc1cccc(c1F)Br 62a_100009817552_100000702267 [0,2,0,0,0,0|1,0,0]=3 19353 B13R1.150 C[C@@H](O)CSc1cccc(c1F)Cl 62a_100009817552_100011217346 [0,2,0,0,0,0|1,0,0]=3 19354 B13R1.150 C[C@@H](O)CSc1cccc(c1F)Cl 62a_100011217346_100009817552 [0,2,0,0,0,0|1,0,0]=3 19355 B13R1.150 C[C@@H](O)CSc1cccc(c1F)F 62a_100000694657_100009817552 [0,2,0,0,0,0|1,0,0]=3 19356 B13R1.150 C[C@@H](O)CSc1cccc(c1F)F 62a_100009817552_100000694657 [0,2,0,0,0,0|1,0,0]=3 19357 B13R1.150 C[C@@H](O)CSc1cccc(c1F)N 62a_100009817552_100011935091 [0,2,0,0,0,0|1,0,0]=3 19358 B13R1.150 C[C@@H](O)CSc1cccc(c1F)N 62a_100011935091_100009817552 [0,2,0,0,0,0|1,0,0]=3 19359 B13R1.150 C[C@@H](O)CSc1cccc(c1F)O 62a_100009817021_100009817552 [0,2,0,0,0,0|1,0,0]=3 19360 B13R1.150 C[C@@H](O)CSc1cccc(c1F)O 62a_100009817552_100009817021 [0,2,0,0,0,0|1,0,0]=3 19361 B13R1.150 C[C@@H](O)CSc1cccc(c1N)Br 62a_100009817552_100010146558 [0,2,0,0,0,0|1,0,0]=3 19362 B13R1.150 C[C@@H](O)CSc1cccc(c1N)Br 62a_100010146558_100009817552 [0,2,0,0,0,0|1,0,0]=3 19363 B13R1.150 C[C@@H](O)CSc1cccc(c1N)Cl 62a_100009817552_100010190421 [0,2,0,0,0,0|1,0,0]=3 19364 B13R1.150 C[C@@H](O)CSc1cccc(c1N)Cl 62a_100010190421_100009817552 [0,2,0,0,0,0|1,0,0]=3 19365 B13R1.150 C[C@@H](O)CSc1cccc(c1N)F 62a_100000042321_100009817552 [0,2,0,0,0,0|1,0,0]=3 19366 B13R1.150 C[C@@H](O)CSc1cccc(c1N)F 62a_100009817552_100000042321 [0,2,0,0,0,0|1,0,0]=3 19367 B13R1.150 C[C@@H](O)CSc1cccc(c1N)N 62a_100015191791_100009817552 [0,2,0,0,0,0|1,0,0]=3 19368 B13R1.150 C[C@@H](O)CSc1cccc(c1N)O 62a_100009817552_100011934926 [0,2,0,0,0,0|1,0,0]=3 19369 B13R1.150 C[C@@H](O)CSc1cccc(c1O)Br 62a_100009817552_100010084509 [0,2,0,0,0,0|1,0,0]=3 19370 B13R1.150 C[C@@H](O)CSc1cccc(c1O)Br 62a_100010084509_100009817552 [0,2,0,0,0,0|1,0,0]=3 19371 B13R1.150 C[C@@H](O)CSc1cccc(c1O)Cl 62a_100009817552_100010202889 [0,2,0,0,0,0|1,0,0]=3 19372 B13R1.150 C[C@@H](O)CSc1cccc(c1O)Cl 62a_100010202889_100009817552 [0,2,0,0,0,0|1,0,0]=3 19373 B13R1.150 C[C@@H](O)CSc1cccc(c1O)F 62a_100009813666_100009817552 [0,2,0,0,0,0|1,0,0]=3 19374 B13R1.150 C[C@@H](O)CSc1cccc(c1O)F 62a_100009817552_100009813666 [0,2,0,0,0,0|1,0,0]=3 19375 B13R1.150 C[C@@H](O)CSc1cccc(c1O)N 62a_100009817552_100010084371 [0,2,0,0,0,0|1,0,0]=3 19376 B13R1.150 C[C@@H](O)CSc1cccc(c1O)N 62a_100011934915_100009817552 [0,2,0,0,0,0|1,0,0]=3 19377 B13R1.150 C[C@@H](O)CSc1cccc(c1O)O 62a_100009817552_100009815950 [0,2,0,0,0,0|1,0,0]=3 19378 B13R1.150 C[C@@H](O)CSc1cccn(c1=O)C 62a_100000687173_100009817552 [0,2,0,0,0,0|2,0,0]=4 19379 B13R1.150 C[C@@H](O)CSc1cccn(c1=O)C 62a_100009817552_100000687173 [0,2,0,0,0,0|2,0,0]=4 19380 B13R1.150 C[C@@H](O)CSc1ccnc(c1Br)F 62a_100009817552_100010006599 [0,2,0,0,0,0|2,0,0]=4 19381 B13R1.150 C[C@@H](O)CSc1ccnc(c1Br)F 62a_100010006599_100009817552 [0,2,0,0,0,0|2,0,0]=4 19382 B13R1.150 C[C@@H](O)CSc1ccnc(c1Cl)Cl 62a_100009817552_100010246212 [0,2,0,0,0,0|2,0,0]=4 19383 B13R1.150 C[C@@H](O)CSc1ccnc(c1Cl)Cl 62a_100010246212_100009817552 [0,2,0,0,0,0|2,0,0]=4 19384 B13R1.150 C[C@@H](O)CSc1ccnc(c1Cl)F 62a_100009817552_100010067886 [0,2,0,0,0,0|2,0,0]=4 19385 B13R1.150 C[C@@H](O)CSc1ccnc(c1Cl)F 62a_100010067886_100009817552 [0,2,0,0,0,0|2,0,0]=4 19386 B13R1.150 C[C@@H](O)CSc1ccnc(c1Cl)N 62a_100009817552_100010735111 [0,2,0,0,0,0|2,0,0]=4 19387 B13R1.150 C[C@@H](O)CSc1ccnc(c1Cl)N 62a_100010735111_100009817552 [0,2,0,0,0,0|2,0,0]=4 19388 B13R1.150 C[C@@H](O)CSc1ccnc(c1F)Br 62a_100009817552_200015269031 [0,2,0,0,0,0|2,0,0]=4 19389 B13R1.150 C[C@@H](O)CSc1ccnc(c1F)Br 62a_200015269031_100009817552 [0,2,0,0,0,0|2,0,0]=4 19390 B13R1.150 C[C@@H](O)CSc1ccnc(c1F)Cl 62a_100009817552_100010150473 [0,2,0,0,0,0|2,0,0]=4 19391 B13R1.150 C[C@@H](O)CSc1ccnc(c1F)Cl 62a_100010150473_100009817552 [0,2,0,0,0,0|2,0,0]=4 19392 B13R1.150 C[C@@H](O)CSc1ccnc(c1F)F 62a_100009817552_100010214882 [0,2,0,0,0,0|2,0,0]=4 19393 B13R1.150 C[C@@H](O)CSc1ccnc(c1F)F 62a_100010214882_100009817552 [0,2,0,0,0,0|2,0,0]=4 19394 B13R1.150 C[C@@H](O)CSc1ccnc(c1F)N 62a_100009817552_100010077785 [0,2,0,0,0,0|2,0,0]=4 19395 B13R1.150 C[C@@H](O)CSc1ccnc(c1F)N 62a_100010077785_100009817552 [0,2,0,0,0,0|2,0,0]=4 19396 B13R1.150 C[C@@H](O)CSc1ccnc(c1N)N 62a_100000124095_100009817552 [0,2,0,0,0,0|2,0,0]=4 19397 B13R1.150 C[C@@H](O)CSc1ccnc(c1O)Cl 62a_100009817552_100010067911 [0,2,0,0,0,0|2,0,0]=4 19398 B13R1.150 C[C@@H](O)CSc1cncc(c1N)Br 62a_100009817552_100011290786 [0,2,0,0,0,0|2,0,0]=4 19399 B13R1.150 C[C@@H](O)CSc1cncc(c1N)Br 62a_100011290786_100009817552 [0,2,0,0,0,0|2,0,0]=4 19400 B13R1.150 C[C@@H](O)CSc1cncc(c1N)Cl 62a_100000684942_100009817552 [0,2,0,0,0,0|2,0,0]=4 19401 B13R1.150 C[C@@H](O)CSc1cncc(c1N)Cl 62a_100009817552_100000684942 [0,2,0,0,0,0|2,0,0]=4 19402 B13R1.150 C[C@@H](O)CSc1cncc(c1N)F 62a_100009817552_100009880649 [0,2,0,0,0,0|2,0,0]=4 19403 B13R1.150 C[C@@H](O)CSc1cncc(c1N)F 62a_100009880649_100009817552 [0,2,0,0,0,0|2,0,0]=4 19404 B13R1.150 C[C@@H](O)CSc1cncc(c1N)N 62a_100000694774_100009817552 [0,2,0,0,0,0|2,0,0]=4 19405 B13R1.150 C[C@@H](O)CSc1cncc(c1N)N 62a_100009817552_100000694774 [0,2,0,0,0,0|2,0,0]=4 19406 B13R1.150 C[C@@H](O)CSc1cncc(c1O)N 62a_100000694263_100009817552 [0,2,0,0,0,0|2,0,0]=4 19407 B13R1.150 C[C@@H](O)CSc1cncc(c1O)N 62a_100009817552_100000694263 [0,2,0,0,0,0|2,0,0]=4 19408 B13R1.150 C[C@@H](O)CSc1nccc(c1F)N 62a_100009817552_100015205195 [0,2,0,0,0,0|2,0,0]=4 19409 B13R1.150 C[C@@H](O)CSc1nccc(c1F)N 62a_100015205195_100009817552 [0,2,0,0,0,0|2,0,0]=4 19410 B13R1.150 C[C@@H](O)CSc1nccc(c1F)O 62a_100009817552_100009876375 [0,2,0,0,0,0|2,0,0]=4 19411 B13R1.150 C[C@@H](O)CSc1nccc(c1F)O 62a_100009876375_100009817552 [0,2,0,0,0,0|2,0,0]=4 19412 B13R1.150 C[C@@H](O)CSc1nccc(c1N)N 62a_100000085203_100009817552 [0,2,0,0,0,0|2,0,0]=4 19413 B13R1.150 C[C@@H](O)CSc1nccc(c1N)N 62a_100009817552_100000085203 [0,2,0,0,0,0|2,0,0]=4 19414 B13R1.150 C[C@@H](O)CSc1nccc(c1O)F 62a_100009817552_100009867227 [0,2,0,0,0,0|2,0,0]=4 19415 B13R1.150 C[C@@H](O)CSc1nccc(c1O)N 62a_100009817552_100009844647 [0,2,0,0,0,0|2,0,0]=4 19416 B13R1.150 Cc1c(cccc1C=CC(C)O)Br 271570a_200011019289_100012353703 [0,2,0,0,0,0|0,0,2]=4 19417 B13R1.150 Cc1c(cccc1C=CC(C)O)Cl 271570a_200011019289_100000726075 [0,2,0,0,0,0|0,0,2]=4 19418 B13R1.150 Cc1c(cccc1C=CC(C)O)F 271570a_200011019289_100011216893 [0,2,0,0,0,0|0,0,2]=4 19419 B13R1.150 Cc1c(cccc1C=CC(C)O)N 271570a_200011019289_100000761887 [0,2,0,0,0,0|0,0,2]=4 19420 B13R1.150 Cc1c(cccc1C=CC(C)O)O 271570a_200011019289_100012002258 [0,2,0,0,0,0|0,0,2]=4 19421 B13R1.150 Cc1c(cccc1CCC(=O)[13CH3])F 1458a_100000069055_200025704644 [0,2,0,0,0,0|0,0,2]=4 19422 B13R1.150 Cc1c(cccc1CNC(C)C)Br 207a_100138425928_100012179384 [0,2,0,0,0,0|2,0,0]=4 19423 B13R1.150 Cc1c(cccc1CNC(C)C)Br 2230a_100138425928_100000694682 [0,2,0,0,0,0|2,0,0]=4 19424 B13R1.150 Cc1c(cccc1CNC(C)C)Br 34a_100000724210_100000210206 [0,2,0,0,0,0|2,0,0]=4 19425 B13R1.150 Cc1c(cccc1CNC(C)C)Br 34a_100138425928_100000694682 [0,2,0,0,0,0|2,0,0]=4 19426 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 207a_100138425928_100012002129 [0,2,0,0,0,0|2,0,0]=4 19427 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 2230a_100020639605_100000210206 [0,2,0,0,0,0|2,0,0]=4 19428 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 2230a_100138425928_100012186920 [0,2,0,0,0,0|2,0,0]=4 19429 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 34a_100020639605_100000210206 [0,2,0,0,0,0|2,0,0]=4 19430 B13R1.150 Cc1c(cccc1CNC(C)C)Cl 34a_100138425928_100012186920 [0,2,0,0,0,0|2,0,0]=4 19431 B13R1.150 Cc1c(cccc1CNC(C)C)F 207a_100138425928_100000037668 [0,2,0,0,0,0|2,0,0]=4 19432 B13R1.150 Cc1c(cccc1CNC(C)C)F 2230a_100132306986_100000210206 [0,2,0,0,0,0|2,0,0]=4 19433 B13R1.150 Cc1c(cccc1CNC(C)C)F 2230a_100138425928_100009813626 [0,2,0,0,0,0|2,0,0]=4 19434 B13R1.150 Cc1c(cccc1CNC(C)C)F 34a_100132306986_100000210206 [0,2,0,0,0,0|2,0,0]=4 19435 B13R1.150 Cc1c(cccc1CNC(C)C)F 34a_100138425928_100009813626 [0,2,0,0,0,0|2,0,0]=4 19436 B13R1.150 Cc1c(cccc1CNC(C)C)I 2230a_100138425928_100010150147 [0,2,0,0,0,0|2,0,0]=4 19437 B13R1.150 Cc1c(cccc1CNC(C)C)I 34a_100138425928_100010150147 [0,2,0,0,0,0|2,0,0]=4 19438 B13R1.150 Cc1c(cccc1COC(C)C)Br 34a_100000212225_100000694682 [0,2,0,0,0,0|2,0,0]=4 19439 B13R1.150 Cc1c(cccc1COC(C)C)Br 34a_100000694458_100000210206 [0,2,0,0,0,0|2,0,0]=4 19440 B13R1.150 Cc1c(cccc1COC(C)C)Br 7a_100000694458_100000210206 [0,2,0,0,0,0|2,0,0]=4 19441 B13R1.150 Cc1c(cccc1COC(C)C)Cl 34a_100000212225_100012186920 [0,2,0,0,0,0|2,0,0]=4 19442 B13R1.150 Cc1c(cccc1COC(C)C)Cl 34a_100012000165_100000210206 [0,2,0,0,0,0|2,0,0]=4 19443 B13R1.150 Cc1c(cccc1COC(C)C)Cl 7a_100012000165_100000210206 [0,2,0,0,0,0|2,0,0]=4 19444 B13R1.150 Cc1c(cccc1COC(C)C)F 34a_100000042775_100000210206 [0,2,0,0,0,0|2,0,0]=4 19445 B13R1.150 Cc1c(cccc1COC(C)C)F 34a_100000212225_100009813626 [0,2,0,0,0,0|2,0,0]=4 19446 B13R1.150 Cc1c(cccc1COC(C)C)F 7a_100000042775_100000210206 [0,2,0,0,0,0|2,0,0]=4 19447 B13R1.150 Cc1c(cccc1COC(C)C)I 34a_100000212225_100010150147 [0,2,0,0,0,0|2,0,0]=4 19448 B13R1.150 Cc1c(cccc1COC(C)C)I 34a_100010150139_100000210206 [0,2,0,0,0,0|2,0,0]=4 19449 B13R1.150 Cc1c(cccc1COC(C)C)I 7a_100010150139_100000210206 [0,2,0,0,0,0|2,0,0]=4 19450 B13R1.150 Cc1c(cccc1COC(C)C)N 34a_102495339961_100000210206 [0,2,0,0,0,0|2,0,0]=4 19451 B13R1.150 Cc1c(cccc1COC(C)C)N 7a_102495339961_100000210206 [0,2,0,0,0,0|2,0,0]=4 19452 B13R1.150 Cc1c(cccc1CSC(C)C)Br 62a_100000210206_100000694682 [0,2,0,0,0,0|2,0,0]=4 19453 B13R1.150 Cc1c(cccc1CSC(C)C)Br 62a_100000694682_100000210206 [0,2,0,0,0,0|2,0,0]=4 19454 B13R1.150 Cc1c(cccc1CSC(C)C)Cl 62a_100000210206_100012186920 [0,2,0,0,0,0|2,0,0]=4 19455 B13R1.150 Cc1c(cccc1CSC(C)C)Cl 62a_100012186920_100000210206 [0,2,0,0,0,0|2,0,0]=4 19456 B13R1.150 Cc1c(cccc1CSC(C)C)F 62a_100000210206_100009813626 [0,2,0,0,0,0|2,0,0]=4 19457 B13R1.150 Cc1c(cccc1CSC(C)C)F 62a_100009813626_100000210206 [0,2,0,0,0,0|2,0,0]=4 19458 B13R1.150 Cc1c(cccc1CSC(C)C)I 62a_100000210206_100010150147 [0,2,0,0,0,0|2,0,0]=4 19459 B13R1.150 Cc1c(cccc1CSC(C)C)I 62a_100010150147_100000210206 [0,2,0,0,0,0|2,0,0]=4 19460 B13R1.150 Cc1c(cccc1NCC(C)C)Br 34a_100000750434_100000210624 [0,2,0,0,0,0|2,0,0]=4 19461 B13R1.150 Cc1c(cccc1NCC(C)C)Cl 2230a_100000210441_100000210760 [0,2,0,0,0,0|2,0,0]=4 19462 B13R1.150 Cc1c(cccc1NCC(C)C)Cl 34a_100000210441_100000210624 [0,2,0,0,0,0|2,0,0]=4 19463 B13R1.150 Cc1c(cccc1NCC(C)C)Cl 7a_100000210441_100000210760 [0,2,0,0,0,0|2,0,0]=4 19464 B13R1.150 Cc1c(cccc1NCC(C)C)F 34a_100000745574_100000210624 [0,2,0,0,0,0|2,0,0]=4 19465 B13R1.150 Cc1c(cccc1NCC(C)C)F 7a_100000745574_100000210760 [0,2,0,0,0,0|2,0,0]=4 19466 B13R1.150 Cc1c(cccc1NCC(C)C)I 34a_100000761887_100000210624 [0,2,0,0,0,0|2,0,0]=4 19467 B13R1.150 Cc1c(cccc1NCC(C)C)O 34a_100011216573_100000210624 [0,2,0,0,0,0|2,0,0]=4 19468 B13R1.150 Cc1c(cccc1NCC(C)C)O 7a_100011216573_100000210760 [0,2,0,0,0,0|2,0,0]=4 19469 B13R1.150 Cc1c(cccc1NCC(C)O)Br 34a_100000750434_100011218427 [0,2,0,0,0,0|1,0,0]=3 19470 B13R1.150 Cc1c(cccc1NCC(C)O)Cl 2230a_100000210441_100011218427 [0,2,0,0,0,0|1,0,0]=3 19471 B13R1.150 Cc1c(cccc1NCC(C)O)Cl 34a_100000210441_100011218427 [0,2,0,0,0,0|1,0,0]=3 19472 B13R1.150 Cc1c(cccc1NCC(C)O)Cl 7a_100000210441_100011218427 [0,2,0,0,0,0|1,0,0]=3 19473 B13R1.150 Cc1c(cccc1NCC(C)O)F 34a_100000745574_100011218427 [0,2,0,0,0,0|1,0,0]=3 19474 B13R1.150 Cc1c(cccc1NCC(C)O)F 7a_100000745574_100011218427 [0,2,0,0,0,0|1,0,0]=3 19475 B13R1.150 Cc1c(cccc1NCC(C)O)I 34a_100000761887_100011218427 [0,2,0,0,0,0|1,0,0]=3 19476 B13R1.150 Cc1c(cccc1NCC(C)O)O 34a_100011216573_100011218427 [0,2,0,0,0,0|1,0,0]=3 19477 B13R1.150 Cc1c(cccc1NCC(C)O)O 7a_100011216573_100011218427 [0,2,0,0,0,0|1,0,0]=3 19478 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)Br 34a_100000750434_100009817552 [0,2,0,0,0,0|1,0,0]=3 19479 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)Cl 2230a_100000210441_100009817552 [0,2,0,0,0,0|1,0,0]=3 19480 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)Cl 34a_100000210441_100009817552 [0,2,0,0,0,0|1,0,0]=3 19481 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)Cl 7a_100000210441_100009817552 [0,2,0,0,0,0|1,0,0]=3 19482 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)F 34a_100000745574_100009817552 [0,2,0,0,0,0|1,0,0]=3 19483 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)F 7a_100000745574_100009817552 [0,2,0,0,0,0|1,0,0]=3 19484 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)I 34a_100000761887_100009817552 [0,2,0,0,0,0|1,0,0]=3 19485 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)O 34a_100011216573_100009817552 [0,2,0,0,0,0|1,0,0]=3 19486 B13R1.150 Cc1c(cccc1NC[C@@H](C)O)O 7a_100011216573_100009817552 [0,2,0,0,0,0|1,0,0]=3 19487 B13R1.150 Cc1c(cccc1OCC(C)C)Br 34a_100012002258_100000210624 [0,2,0,0,0,0|2,0,0]=4 19488 B13R1.150 Cc1c(cccc1OCC(C)C)Br 7a_100012002258_100000210760 [0,2,0,0,0,0|2,0,0]=4 19489 B13R1.150 Cc1c(cccc1OCC(C)C)Cl 34a_100011265684_100000210624 [0,2,0,0,0,0|2,0,0]=4 19490 B13R1.150 Cc1c(cccc1OCC(C)C)Cl 7a_100011265684_100000210760 [0,2,0,0,0,0|2,0,0]=4 19491 B13R1.150 Cc1c(cccc1OCC(C)C)F 34a_100011217231_100000210624 [0,2,0,0,0,0|2,0,0]=4 19492 B13R1.150 Cc1c(cccc1OCC(C)C)F 7a_100011217231_100000210760 [0,2,0,0,0,0|2,0,0]=4 19493 B13R1.150 Cc1c(cccc1OCC(C)C)N 34a_100011216573_100000210624 [0,2,0,0,0,0|2,0,0]=4 19494 B13R1.150 Cc1c(cccc1OCC(C)C)N 7a_100011216573_100000210760 [0,2,0,0,0,0|2,0,0]=4 19495 B13R1.150 Cc1c(cccc1OCC(C)O)Br 34a_100012002258_100011218427 [0,2,0,0,0,0|1,0,0]=3 19496 B13R1.150 Cc1c(cccc1OCC(C)O)Br 7a_100012002258_100011218427 [0,2,0,0,0,0|1,0,0]=3 19497 B13R1.150 Cc1c(cccc1OCC(C)O)Cl 34a_100011265684_100011218427 [0,2,0,0,0,0|1,0,0]=3 19498 B13R1.150 Cc1c(cccc1OCC(C)O)Cl 7a_100011265684_100011218427 [0,2,0,0,0,0|1,0,0]=3 19499 B13R1.150 Cc1c(cccc1OCC(C)O)F 34a_100011217231_100011218427 [0,2,0,0,0,0|1,0,0]=3 19500 B13R1.150 Cc1c(cccc1OCC(C)O)F 7a_100011217231_100011218427 [0,2,0,0,0,0|1,0,0]=3 19501 B13R1.150 Cc1c(cccc1OCC(C)O)N 34a_100011216573_100011218427 [0,2,0,0,0,0|1,0,0]=3 19502 B13R1.150 Cc1c(cccc1OCC(C)O)N 7a_100011216573_100011218427 [0,2,0,0,0,0|1,0,0]=3 19503 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Br 34a_100012002258_100009817552 [0,2,0,0,0,0|1,0,0]=3 19504 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Br 7a_100012002258_100009817552 [0,2,0,0,0,0|1,0,0]=3 19505 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Cl 34a_100011265684_100009817552 [0,2,0,0,0,0|1,0,0]=3 19506 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Cl 7a_100011265684_100009817552 [0,2,0,0,0,0|1,0,0]=3 19507 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)F 34a_100011217231_100009817552 [0,2,0,0,0,0|1,0,0]=3 19508 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)F 7a_100011217231_100009817552 [0,2,0,0,0,0|1,0,0]=3 19509 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)N 34a_100011216573_100009817552 [0,2,0,0,0,0|1,0,0]=3 19510 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)N 7a_100011216573_100009817552 [0,2,0,0,0,0|1,0,0]=3 19511 B13R1.150 Cc1c(cccc1SCC(C)C)Br 62a_100000210624_100012353703 [0,2,0,0,0,0|2,0,0]=4 19512 B13R1.150 Cc1c(cccc1SCC(C)C)Br 62a_100012353703_100000210760 [0,2,0,0,0,0|2,0,0]=4 19513 B13R1.150 Cc1c(cccc1SCC(C)C)Cl 62a_100000210624_100000726075 [0,2,0,0,0,0|2,0,0]=4 19514 B13R1.150 Cc1c(cccc1SCC(C)C)Cl 62a_100000726075_100000210760 [0,2,0,0,0,0|2,0,0]=4 19515 B13R1.150 Cc1c(cccc1SCC(C)C)F 62a_100000210624_100011216893 [0,2,0,0,0,0|2,0,0]=4 19516 B13R1.150 Cc1c(cccc1SCC(C)C)F 62a_100011216893_100000210760 [0,2,0,0,0,0|2,0,0]=4 19517 B13R1.150 Cc1c(cccc1SCC(C)C)N 62a_100000210624_100000761887 [0,2,0,0,0,0|2,0,0]=4 19518 B13R1.150 Cc1c(cccc1SCC(C)C)N 62a_100000761887_100000210760 [0,2,0,0,0,0|2,0,0]=4 19519 B13R1.150 Cc1c(cccc1SCC(C)C)O 62a_100000210624_100012002258 [0,2,0,0,0,0|2,0,0]=4 19520 B13R1.150 Cc1c(cccc1SCC(C)C)O 62a_100012002258_100000210760 [0,2,0,0,0,0|2,0,0]=4 19521 B13R1.150 Cc1c(cccc1SCC(C)O)Br 62a_100011218427_100012353703 [0,2,0,0,0,0|1,0,0]=3 19522 B13R1.150 Cc1c(cccc1SCC(C)O)Br 62a_100012353703_100011218427 [0,2,0,0,0,0|1,0,0]=3 19523 B13R1.150 Cc1c(cccc1SCC(C)O)Cl 62a_100000726075_100011218427 [0,2,0,0,0,0|1,0,0]=3 19524 B13R1.150 Cc1c(cccc1SCC(C)O)Cl 62a_100011218427_100000726075 [0,2,0,0,0,0|1,0,0]=3 19525 B13R1.150 Cc1c(cccc1SCC(C)O)F 62a_100011216893_100011218427 [0,2,0,0,0,0|1,0,0]=3 19526 B13R1.150 Cc1c(cccc1SCC(C)O)F 62a_100011218427_100011216893 [0,2,0,0,0,0|1,0,0]=3 19527 B13R1.150 Cc1c(cccc1SCC(C)O)N 62a_100000761887_100011218427 [0,2,0,0,0,0|1,0,0]=3 19528 B13R1.150 Cc1c(cccc1SCC(C)O)N 62a_100011218427_100000761887 [0,2,0,0,0,0|1,0,0]=3 19529 B13R1.150 Cc1c(cccc1SCC(C)O)O 62a_100011218427_100012002258 [0,2,0,0,0,0|1,0,0]=3 19530 B13R1.150 Cc1c(cccc1SCC(C)O)O 62a_100012002258_100011218427 [0,2,0,0,0,0|1,0,0]=3 19531 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)Br 62a_100009817552_100012353703 [0,2,0,0,0,0|1,0,0]=3 19532 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)Br 62a_100012353703_100009817552 [0,2,0,0,0,0|1,0,0]=3 19533 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)Cl 62a_100000726075_100009817552 [0,2,0,0,0,0|1,0,0]=3 19534 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)Cl 62a_100009817552_100000726075 [0,2,0,0,0,0|1,0,0]=3 19535 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)F 62a_100009817552_100011216893 [0,2,0,0,0,0|1,0,0]=3 19536 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)F 62a_100011216893_100009817552 [0,2,0,0,0,0|1,0,0]=3 19537 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)N 62a_100000761887_100009817552 [0,2,0,0,0,0|1,0,0]=3 19538 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)N 62a_100009817552_100000761887 [0,2,0,0,0,0|1,0,0]=3 19539 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)O 62a_100009817552_100012002258 [0,2,0,0,0,0|1,0,0]=3 19540 B13R1.150 Cc1c(cccc1SC[C@@H](C)O)O 62a_100012002258_100009817552 [0,2,0,0,0,0|1,0,0]=3 19541 B13R1.150 Cc1c(ccnc1Cl)SCC(C)O 62a_100000047055_100011218427 [0,2,0,0,0,0|2,0,0]=4 19542 B13R1.150 Cc1c(ccnc1Cl)SCC(C)O 62a_100011218427_100000047055 [0,2,0,0,0,0|2,0,0]=4 19543 B13R1.150 Cc1c(ccnc1Cl)SC[C@@H](C)O 62a_100000047055_100009817552 [0,2,0,0,0,0|2,0,0]=4 19544 B13R1.150 Cc1c(ccnc1Cl)SC[C@@H](C)O 62a_100009817552_100000047055 [0,2,0,0,0,0|2,0,0]=4 19545 B13R1.150 Cc1c(ccnc1F)NCC(C)O 27a_100000210904_100010006593 [0,2,0,0,0,0|2,0,0]=4 19546 B13R1.150 Cc1c(ccnc1F)SCC(C)O 62a_100010006593_100011218427 [0,2,0,0,0,0|2,0,0]=4 19547 B13R1.150 Cc1c(ccnc1F)SCC(C)O 62a_100011218427_100010006593 [0,2,0,0,0,0|2,0,0]=4 19548 B13R1.150 Cc1c(ccnc1F)SC[C@@H](C)O 62a_100009817552_100010006593 [0,2,0,0,0,0|2,0,0]=4 19549 B13R1.150 Cc1c(ccnc1F)SC[C@@H](C)O 62a_100010006593_100009817552 [0,2,0,0,0,0|2,0,0]=4 19550 B13R1.150 Cc1c(ccnc1N)SCC(C)O 62a_100009865460_100011218427 [0,2,0,0,0,0|2,0,0]=4 19551 B13R1.150 Cc1c(ccnc1N)SCC(C)O 62a_100011218427_100009865460 [0,2,0,0,0,0|2,0,0]=4 19552 B13R1.150 Cc1c(ccnc1N)SC[C@@H](C)O 62a_100009817552_100009865460 [0,2,0,0,0,0|2,0,0]=4 19553 B13R1.150 Cc1c(ccnc1N)SC[C@@H](C)O 62a_100009865460_100009817552 [0,2,0,0,0,0|2,0,0]=4 19554 B13R1.150 Cc1c(ccnc1NCC(C)O)F 27a_100000210904_100009846374 [0,2,0,0,0,0|2,0,0]=4 19555 B13R1.150 Cc1c(ccnc1O)SCC(C)O 62a_100009858498_100011218427 [0,2,0,0,0,0|2,0,0]=4 19556 B13R1.150 Cc1c(ccnc1O)SCC(C)O 62a_100011218427_100009858498 [0,2,0,0,0,0|2,0,0]=4 19557 B13R1.150 Cc1c(ccnc1O)SC[C@@H](C)O 62a_100009817552_100009858498 [0,2,0,0,0,0|2,0,0]=4 19558 B13R1.150 Cc1c(ccnc1O)SC[C@@H](C)O 62a_100009858498_100009817552 [0,2,0,0,0,0|2,0,0]=4 19559 B13R1.150 Cc1c(ccnc1OCC(C)O)Br 34a_100009858498_100011218427 [0,2,0,0,0,0|2,0,0]=4 19560 B13R1.150 Cc1c(ccnc1OC[C@@H](C)O)Br 34a_100009858498_100009817552 [0,2,0,0,0,0|2,0,0]=4 19561 B13R1.150 Cc1c(ccnc1SCC(C)O)F 62a_100009846374_100011218427 [0,2,0,0,0,0|2,0,0]=4 19562 B13R1.150 Cc1c(ccnc1SCC(C)O)F 62a_100011218427_100009846374 [0,2,0,0,0,0|2,0,0]=4 19563 B13R1.150 Cc1c(ccnc1SCC(C)O)N 62a_100000690622_100011218427 [0,2,0,0,0,0|2,0,0]=4 19564 B13R1.150 Cc1c(ccnc1SCC(C)O)N 62a_100011218427_100000690622 [0,2,0,0,0,0|2,0,0]=4 19565 B13R1.150 Cc1c(ccnc1SC[C@@H](C)O)F 62a_100009817552_100009846374 [0,2,0,0,0,0|2,0,0]=4 19566 B13R1.150 Cc1c(ccnc1SC[C@@H](C)O)F 62a_100009846374_100009817552 [0,2,0,0,0,0|2,0,0]=4 19567 B13R1.150 Cc1c(ccnc1SC[C@@H](C)O)N 62a_100000690622_100009817552 [0,2,0,0,0,0|2,0,0]=4 19568 B13R1.150 Cc1c(ccnc1SC[C@@H](C)O)N 62a_100009817552_100000690622 [0,2,0,0,0,0|2,0,0]=4 19569 B13R1.150 Cc1c(cncc1SCC(C)O)Br 62a_100010109657_100011218427 [0,2,0,0,0,0|2,0,0]=4 19570 B13R1.150 Cc1c(cncc1SCC(C)O)Br 62a_100011218427_100010109657 [0,2,0,0,0,0|2,0,0]=4 19571 B13R1.150 Cc1c(cncc1SCC(C)O)F 62a_100009881546_100011218427 [0,2,0,0,0,0|2,0,0]=4 19572 B13R1.150 Cc1c(cncc1SCC(C)O)F 62a_100011218427_100009881546 [0,2,0,0,0,0|2,0,0]=4 19573 B13R1.150 Cc1c(cncc1SCC(C)O)N 62a_100011218427_100011998293 [0,2,0,0,0,0|2,0,0]=4 19574 B13R1.150 Cc1c(cncc1SCC(C)O)N 62a_100011998293_100011218427 [0,2,0,0,0,0|2,0,0]=4 19575 B13R1.150 Cc1c(cncc1SC[C@@H](C)O)Br 62a_100009817552_100010109657 [0,2,0,0,0,0|2,0,0]=4 19576 B13R1.150 Cc1c(cncc1SC[C@@H](C)O)Br 62a_100010109657_100009817552 [0,2,0,0,0,0|2,0,0]=4 19577 B13R1.150 Cc1c(cncc1SC[C@@H](C)O)F 62a_100009817552_100009881546 [0,2,0,0,0,0|2,0,0]=4 19578 B13R1.150 Cc1c(cncc1SC[C@@H](C)O)F 62a_100009881546_100009817552 [0,2,0,0,0,0|2,0,0]=4 19579 B13R1.150 Cc1c(cncc1SC[C@@H](C)O)N 62a_100009817552_100011998293 [0,2,0,0,0,0|2,0,0]=4 19580 B13R1.150 Cc1c(cncc1SC[C@@H](C)O)N 62a_100011998293_100009817552 [0,2,0,0,0,0|2,0,0]=4 19581 B13R1.150 Cc1cccc(c1Br)CNC(C)C 207a_100138425928_100012186367 [0,2,0,0,0,0|2,0,0]=4 19582 B13R1.150 Cc1cccc(c1Br)CNC(C)C 2230a_100138425928_200012349612 [0,2,0,0,0,0|2,0,0]=4 19583 B13R1.150 Cc1cccc(c1Br)CNC(C)C 34a_100138425928_200012349612 [0,2,0,0,0,0|2,0,0]=4 19584 B13R1.150 Cc1cccc(c1Br)COC(C)C 34a_100000212225_200012349612 [0,2,0,0,0,0|2,0,0]=4 19585 B13R1.150 Cc1cccc(c1Br)COC(C)C 34a_100011659289_100000210206 [0,2,0,0,0,0|2,0,0]=4 19586 B13R1.150 Cc1cccc(c1Br)COC(C)C 7a_100011659289_100000210206 [0,2,0,0,0,0|2,0,0]=4 19587 B13R1.150 Cc1cccc(c1Br)CSC(C)C 62a_100000210206_200012349612 [0,2,0,0,0,0|2,0,0]=4 19588 B13R1.150 Cc1cccc(c1Br)CSC(C)C 62a_200012349612_100000210206 [0,2,0,0,0,0|2,0,0]=4 19589 B13R1.150 Cc1cccc(c1Br)NCC(C)C 34a_100000684715_100000210624 [0,2,0,0,0,0|2,0,0]=4 19590 B13R1.150 Cc1cccc(c1Br)NCC(C)O 34a_100000684715_100011218427 [0,2,0,0,0,0|1,0,0]=3 19591 B13R1.150 Cc1cccc(c1Br)NC[C@@H](C)O 34a_100000684715_100009817552 [0,2,0,0,0,0|1,0,0]=3 19592 B13R1.150 Cc1cccc(c1Br)OCC(C)C 34a_100000686692_100000210624 [0,2,0,0,0,0|2,0,0]=4 19593 B13R1.150 Cc1cccc(c1Br)OCC(C)C 7a_100000686692_100000210760 [0,2,0,0,0,0|2,0,0]=4 19594 B13R1.150 Cc1cccc(c1Br)OCC(C)O 34a_100000686692_100011218427 [0,2,0,0,0,0|1,0,0]=3 19595 B13R1.150 Cc1cccc(c1Br)OCC(C)O 7a_100000686692_100011218427 [0,2,0,0,0,0|1,0,0]=3 19596 B13R1.150 Cc1cccc(c1Br)OC[C@@H](C)O 34a_100000686692_100009817552 [0,2,0,0,0,0|1,0,0]=3 19597 B13R1.150 Cc1cccc(c1Br)OC[C@@H](C)O 7a_100000686692_100009817552 [0,2,0,0,0,0|1,0,0]=3 19598 B13R1.150 Cc1cccc(c1Br)SCC(C)C 62a_100000210624_100012362457 [0,2,0,0,0,0|2,0,0]=4 19599 B13R1.150 Cc1cccc(c1Br)SCC(C)C 62a_100012362457_100000210760 [0,2,0,0,0,0|2,0,0]=4 19600 B13R1.150 Cc1cccc(c1Br)SCC(C)O 62a_100011218427_100012362457 [0,2,0,0,0,0|1,0,0]=3 19601 B13R1.150 Cc1cccc(c1Br)SCC(C)O 62a_100012362457_100011218427 [0,2,0,0,0,0|1,0,0]=3 19602 B13R1.150 Cc1cccc(c1Br)SC[C@@H](C)O 62a_100009817552_100012362457 [0,2,0,0,0,0|1,0,0]=3 19603 B13R1.150 Cc1cccc(c1Br)SC[C@@H](C)O 62a_100012362457_100009817552 [0,2,0,0,0,0|1,0,0]=3 19604 B13R1.150 Cc1cccc(c1C)C=CC(C)O 271570a_200011019289_100011214922 [0,2,0,0,0,0|0,0,2]=4 19605 B13R1.150 Cc1cccc(c1C)CCC(=O)[13CH3] 1458a_100011218151_200025704644 [0,2,0,0,0,0|0,0,2]=4 19606 B13R1.150 Cc1cccc(c1C)CNC(C)C 207a_100138425928_100000229941 [0,2,0,0,0,0|2,0,0]=4 19607 B13R1.150 Cc1cccc(c1C)CNC(C)C 2230a_100011211637_100000210206 [0,2,0,0,0,0|2,0,0]=4 19608 B13R1.150 Cc1cccc(c1C)CNC(C)C 2230a_100138425928_100011515928 [0,2,0,0,0,0|2,0,0]=4 19609 B13R1.150 Cc1cccc(c1C)CNC(C)C 34a_100011211637_100000210206 [0,2,0,0,0,0|2,0,0]=4 19610 B13R1.150 Cc1cccc(c1C)CNC(C)C 34a_100138425928_100011273979 [0,2,0,0,0,0|2,0,0]=4 19611 B13R1.150 Cc1cccc(c1C)COC(C)C 34a_100000212225_100011273979 [0,2,0,0,0,0|2,0,0]=4 19612 B13R1.150 Cc1cccc(c1C)COC(C)C 34a_100011219135_100000210206 [0,2,0,0,0,0|2,0,0]=4 19613 B13R1.150 Cc1cccc(c1C)COC(C)C 7a_100011219135_100000210206 [0,2,0,0,0,0|2,0,0]=4 19614 B13R1.150 Cc1cccc(c1C)CSC(C)C 62a_100000210206_100011515928 [0,2,0,0,0,0|2,0,0]=4 19615 B13R1.150 Cc1cccc(c1C)CSC(C)C 62a_100011515928_100000210206 [0,2,0,0,0,0|2,0,0]=4 19616 B13R1.150 Cc1cccc(c1C)NCC(C)C 2230a_100000210026_100000210760 [0,2,0,0,0,0|2,0,0]=4 19617 B13R1.150 Cc1cccc(c1C)NCC(C)C 34a_100000210026_100000210624 [0,2,0,0,0,0|2,0,0]=4 19618 B13R1.150 Cc1cccc(c1C)NCC(C)C 7a_100000210026_100000210760 [0,2,0,0,0,0|2,0,0]=4 19619 B13R1.150 Cc1cccc(c1C)NCC(C)O 2230a_100000210026_100011218427 [0,2,0,0,0,0|1,0,0]=3 19620 B13R1.150 Cc1cccc(c1C)NCC(C)O 34a_100000210026_100011218427 [0,2,0,0,0,0|1,0,0]=3 19621 B13R1.150 Cc1cccc(c1C)NCC(C)O 7a_100000210026_100011218427 [0,2,0,0,0,0|1,0,0]=3 19622 B13R1.150 Cc1cccc(c1C)NC[C@@H](C)O 2230a_100000210026_100009817552 [0,2,0,0,0,0|1,0,0]=3 19623 B13R1.150 Cc1cccc(c1C)NC[C@@H](C)O 34a_100000210026_100009817552 [0,2,0,0,0,0|1,0,0]=3 19624 B13R1.150 Cc1cccc(c1C)NC[C@@H](C)O 7a_100000210026_100009817552 [0,2,0,0,0,0|1,0,0]=3 19625 B13R1.150 Cc1cccc(c1C)OCC(C)C 34a_100000185855_100000210624 [0,2,0,0,0,0|2,0,0]=4 19626 B13R1.150 Cc1cccc(c1C)OCC(C)C 7a_100000185855_100000210760 [0,2,0,0,0,0|2,0,0]=4 19627 B13R1.150 Cc1cccc(c1C)OCC(C)O 34a_100000185855_100011218427 [0,2,0,0,0,0|1,0,0]=3 19628 B13R1.150 Cc1cccc(c1C)OCC(C)O 7a_100000185855_100011218427 [0,2,0,0,0,0|1,0,0]=3 19629 B13R1.150 Cc1cccc(c1C)OC[C@@H](C)O 34a_100000185855_100009817552 [0,2,0,0,0,0|1,0,0]=3 19630 B13R1.150 Cc1cccc(c1C)OC[C@@H](C)O 7a_100000185855_100009817552 [0,2,0,0,0,0|1,0,0]=3 19631 B13R1.150 Cc1cccc(c1C)SCC(C)C 62a_100000210624_100011214922 [0,2,0,0,0,0|2,0,0]=4 19632 B13R1.150 Cc1cccc(c1C)SCC(C)C 62a_100011214922_100000210760 [0,2,0,0,0,0|2,0,0]=4 19633 B13R1.150 Cc1cccc(c1C)SCC(C)O 62a_100011214922_100011218427 [0,2,0,0,0,0|1,0,0]=3 19634 B13R1.150 Cc1cccc(c1C)SCC(C)O 62a_100011218427_100011214922 [0,2,0,0,0,0|1,0,0]=3 19635 B13R1.150 Cc1cccc(c1C)SC[C@@H](C)O 62a_100009817552_100011214922 [0,2,0,0,0,0|1,0,0]=3 19636 B13R1.150 Cc1cccc(c1C)SC[C@@H](C)O 62a_100011214922_100009817552 [0,2,0,0,0,0|1,0,0]=3 19637 B13R1.150 Cc1cccc(c1Cl)C=CC(C)O 271570a_200011019289_200012352035 [0,2,0,0,0,0|0,0,2]=4 19638 B13R1.150 Cc1cccc(c1Cl)CNC(C)C 207a_100138425928_100012017286 [0,2,0,0,0,0|2,0,0]=4 19639 B13R1.150 Cc1cccc(c1Cl)CNC(C)C 2230a_100025705714_100000210206 [0,2,0,0,0,0|2,0,0]=4 19640 B13R1.150 Cc1cccc(c1Cl)CNC(C)C 34a_100025705714_100000210206 [0,2,0,0,0,0|2,0,0]=4 19641 B13R1.150 Cc1cccc(c1Cl)COC(C)C 34a_100000710031_100000210206 [0,2,0,0,0,0|2,0,0]=4 19642 B13R1.150 Cc1cccc(c1Cl)COC(C)C 7a_100000710031_100000210206 [0,2,0,0,0,0|2,0,0]=4 19643 B13R1.150 Cc1cccc(c1Cl)NCC(C)C 34a_100000765562_100000210624 [0,2,0,0,0,0|2,0,0]=4 19644 B13R1.150 Cc1cccc(c1Cl)NCC(C)C 7a_100000765562_100000210760 [0,2,0,0,0,0|2,0,0]=4 19645 B13R1.150 Cc1cccc(c1Cl)NCC(C)O 34a_100000765562_100011218427 [0,2,0,0,0,0|1,0,0]=3 19646 B13R1.150 Cc1cccc(c1Cl)NCC(C)O 7a_100000765562_100011218427 [0,2,0,0,0,0|1,0,0]=3 19647 B13R1.150 Cc1cccc(c1Cl)NC[C@@H](C)O 34a_100000765562_100009817552 [0,2,0,0,0,0|1,0,0]=3 19648 B13R1.150 Cc1cccc(c1Cl)NC[C@@H](C)O 7a_100000765562_100009817552 [0,2,0,0,0,0|1,0,0]=3 19649 B13R1.150 Cc1cccc(c1Cl)OCC(C)C 34a_100000695629_100000210624 [0,2,0,0,0,0|2,0,0]=4 19650 B13R1.150 Cc1cccc(c1Cl)OCC(C)C 7a_100000695629_100000210760 [0,2,0,0,0,0|2,0,0]=4 19651 B13R1.150 Cc1cccc(c1Cl)OCC(C)O 34a_100000695629_100011218427 [0,2,0,0,0,0|1,0,0]=3 19652 B13R1.150 Cc1cccc(c1Cl)OCC(C)O 7a_100000695629_100011218427 [0,2,0,0,0,0|1,0,0]=3 19653 B13R1.150 Cc1cccc(c1Cl)OC[C@@H](C)O 34a_100000695629_100009817552 [0,2,0,0,0,0|1,0,0]=3 19654 B13R1.150 Cc1cccc(c1Cl)OC[C@@H](C)O 7a_100000695629_100009817552 [0,2,0,0,0,0|1,0,0]=3 19655 B13R1.150 Cc1cccc(c1Cl)SCC(C)C 62a_100000210624_200012352035 [0,2,0,0,0,0|2,0,0]=4 19656 B13R1.150 Cc1cccc(c1Cl)SCC(C)C 62a_200012352035_100000210760 [0,2,0,0,0,0|2,0,0]=4 19657 B13R1.150 Cc1cccc(c1Cl)SCC(C)O 62a_100011218427_200012352035 [0,2,0,0,0,0|1,0,0]=3 19658 B13R1.150 Cc1cccc(c1Cl)SCC(C)O 62a_200012352035_100011218427 [0,2,0,0,0,0|1,0,0]=3 19659 B13R1.150 Cc1cccc(c1Cl)SC[C@@H](C)O 62a_100009817552_200012352035 [0,2,0,0,0,0|1,0,0]=3 19660 B13R1.150 Cc1cccc(c1Cl)SC[C@@H](C)O 62a_200012352035_100009817552 [0,2,0,0,0,0|1,0,0]=3 19661 B13R1.150 Cc1cccc(c1F)C=CC(C)O 271570a_200011019289_100000717567 [0,2,0,0,0,0|0,0,2]=4 19662 B13R1.150 Cc1cccc(c1F)CNC(C)C 207a_100138425928_100011219516 [0,2,0,0,0,0|2,0,0]=4 19663 B13R1.150 Cc1cccc(c1F)CNC(C)C 2230a_100012002060_100000210206 [0,2,0,0,0,0|2,0,0]=4 19664 B13R1.150 Cc1cccc(c1F)CNC(C)C 2230a_100138425928_100011216058 [0,2,0,0,0,0|2,0,0]=4 19665 B13R1.150 Cc1cccc(c1F)CNC(C)C 34a_100012002060_100000210206 [0,2,0,0,0,0|2,0,0]=4 19666 B13R1.150 Cc1cccc(c1F)CNC(C)C 34a_100138425928_100011216058 [0,2,0,0,0,0|2,0,0]=4 19667 B13R1.150 Cc1cccc(c1F)COC(C)C 34a_100000212225_100011216058 [0,2,0,0,0,0|2,0,0]=4 19668 B13R1.150 Cc1cccc(c1F)COC(C)C 34a_200011219517_100000210206 [0,2,0,0,0,0|2,0,0]=4 19669 B13R1.150 Cc1cccc(c1F)COC(C)C 7a_200011219517_100000210206 [0,2,0,0,0,0|2,0,0]=4 19670 B13R1.150 Cc1cccc(c1F)CSC(C)C 62a_100000210206_100011216058 [0,2,0,0,0,0|2,0,0]=4 19671 B13R1.150 Cc1cccc(c1F)CSC(C)C 62a_100011216058_100000210206 [0,2,0,0,0,0|2,0,0]=4 19672 B13R1.150 Cc1cccc(c1F)NCC(C)C 2230a_100000697159_100000210760 [0,2,0,0,0,0|2,0,0]=4 19673 B13R1.150 Cc1cccc(c1F)NCC(C)C 34a_100000697159_100000210624 [0,2,0,0,0,0|2,0,0]=4 19674 B13R1.150 Cc1cccc(c1F)NCC(C)C 7a_100000697159_100000210760 [0,2,0,0,0,0|2,0,0]=4 19675 B13R1.150 Cc1cccc(c1F)NCC(C)O 2230a_100000697159_100011218427 [0,2,0,0,0,0|1,0,0]=3 19676 B13R1.150 Cc1cccc(c1F)NCC(C)O 34a_100000697159_100011218427 [0,2,0,0,0,0|1,0,0]=3 19677 B13R1.150 Cc1cccc(c1F)NCC(C)O 7a_100000697159_100011218427 [0,2,0,0,0,0|1,0,0]=3 19678 B13R1.150 Cc1cccc(c1F)NC[C@@H](C)O 2230a_100000697159_100009817552 [0,2,0,0,0,0|1,0,0]=3 19679 B13R1.150 Cc1cccc(c1F)NC[C@@H](C)O 34a_100000697159_100009817552 [0,2,0,0,0,0|1,0,0]=3 19680 B13R1.150 Cc1cccc(c1F)NC[C@@H](C)O 7a_100000697159_100009817552 [0,2,0,0,0,0|1,0,0]=3 19681 B13R1.150 Cc1cccc(c1F)OCC(C)C 34a_100000751311_100000210624 [0,2,0,0,0,0|2,0,0]=4 19682 B13R1.150 Cc1cccc(c1F)OCC(C)C 7a_100000751311_100000210760 [0,2,0,0,0,0|2,0,0]=4 19683 B13R1.150 Cc1cccc(c1F)OCC(C)O 34a_100000751311_100011218427 [0,2,0,0,0,0|1,0,0]=3 19684 B13R1.150 Cc1cccc(c1F)OCC(C)O 7a_100000751311_100011218427 [0,2,0,0,0,0|1,0,0]=3 19685 B13R1.150 Cc1cccc(c1F)OC[C@@H](C)O 34a_100000751311_100009817552 [0,2,0,0,0,0|1,0,0]=3 19686 B13R1.150 Cc1cccc(c1F)OC[C@@H](C)O 7a_100000751311_100009817552 [0,2,0,0,0,0|1,0,0]=3 19687 B13R1.150 Cc1cccc(c1F)SCC(C)C 62a_100000210624_100000717567 [0,2,0,0,0,0|2,0,0]=4 19688 B13R1.150 Cc1cccc(c1F)SCC(C)C 62a_100000717567_100000210760 [0,2,0,0,0,0|2,0,0]=4 19689 B13R1.150 Cc1cccc(c1F)SCC(C)O 62a_100000717567_100011218427 [0,2,0,0,0,0|1,0,0]=3 19690 B13R1.150 Cc1cccc(c1F)SCC(C)O 62a_100011218427_100000717567 [0,2,0,0,0,0|1,0,0]=3 19691 B13R1.150 Cc1cccc(c1F)SC[C@@H](C)O 62a_100000717567_100009817552 [0,2,0,0,0,0|1,0,0]=3 19692 B13R1.150 Cc1cccc(c1F)SC[C@@H](C)O 62a_100009817552_100000717567 [0,2,0,0,0,0|1,0,0]=3 19693 B13R1.150 Cc1cccc(c1I)COC(C)C 34a_100012349780_100000210206 [0,2,0,0,0,0|2,0,0]=4 19694 B13R1.150 Cc1cccc(c1I)COC(C)C 7a_100012349780_100000210206 [0,2,0,0,0,0|2,0,0]=4 19695 B13R1.150 Cc1cccc(c1I)NCC(C)C 34a_100000761888_100000210624 [0,2,0,0,0,0|2,0,0]=4 19696 B13R1.150 Cc1cccc(c1I)NCC(C)O 34a_100000761888_100011218427 [0,2,0,0,0,0|1,0,0]=3 19697 B13R1.150 Cc1cccc(c1I)NC[C@@H](C)O 34a_100000761888_100009817552 [0,2,0,0,0,0|1,0,0]=3 19698 B13R1.150 Cc1cccc(c1I)OCC(C)C 34a_100010083724_100000210624 [0,2,0,0,0,0|2,0,0]=4 19699 B13R1.150 Cc1cccc(c1I)OCC(C)C 7a_100010083724_100000210760 [0,2,0,0,0,0|2,0,0]=4 19700 B13R1.150 Cc1cccc(c1I)OCC(C)O 34a_100010083724_100011218427 [0,2,0,0,0,0|1,0,0]=3 19701 B13R1.150 Cc1cccc(c1I)OCC(C)O 7a_100010083724_100011218427 [0,2,0,0,0,0|1,0,0]=3 19702 B13R1.150 Cc1cccc(c1I)OC[C@@H](C)O 34a_100010083724_100009817552 [0,2,0,0,0,0|1,0,0]=3 19703 B13R1.150 Cc1cccc(c1I)OC[C@@H](C)O 7a_100010083724_100009817552 [0,2,0,0,0,0|1,0,0]=3 19704 B13R1.150 Cc1cccc(c1N)C=CC(C)O 271570a_200011019289_100011834072 [0,2,0,0,0,0|0,0,2]=4 19705 B13R1.150 Cc1cccc(c1N)COC(C)C 34a_100011215590_100000210206 [0,2,0,0,0,0|2,0,0]=4 19706 B13R1.150 Cc1cccc(c1N)OCC(C)C 34a_100000743429_100000210624 [0,2,0,0,0,0|2,0,0]=4 19707 B13R1.150 Cc1cccc(c1N)OCC(C)C 7a_100000743429_100000210760 [0,2,0,0,0,0|2,0,0]=4 19708 B13R1.150 Cc1cccc(c1N)OCC(C)O 34a_100000743429_100011218427 [0,2,0,0,0,0|1,0,0]=3 19709 B13R1.150 Cc1cccc(c1N)OCC(C)O 7a_100000743429_100011218427 [0,2,0,0,0,0|1,0,0]=3 19710 B13R1.150 Cc1cccc(c1N)OC[C@@H](C)O 34a_100000743429_100009817552 [0,2,0,0,0,0|1,0,0]=3 19711 B13R1.150 Cc1cccc(c1N)OC[C@@H](C)O 7a_100000743429_100009817552 [0,2,0,0,0,0|1,0,0]=3 19712 B13R1.150 Cc1cccc(c1N)SCC(C)C 62a_100000210624_100011834072 [0,2,0,0,0,0|2,0,0]=4 19713 B13R1.150 Cc1cccc(c1N)SCC(C)C 62a_100011834072_100000210760 [0,2,0,0,0,0|2,0,0]=4 19714 B13R1.150 Cc1cccc(c1N)SCC(C)O 62a_100011218427_100011834072 [0,2,0,0,0,0|1,0,0]=3 19715 B13R1.150 Cc1cccc(c1N)SCC(C)O 62a_100011834072_100011218427 [0,2,0,0,0,0|1,0,0]=3 19716 B13R1.150 Cc1cccc(c1N)SC[C@@H](C)O 62a_100009817552_100011834072 [0,2,0,0,0,0|1,0,0]=3 19717 B13R1.150 Cc1cccc(c1N)SC[C@@H](C)O 62a_100011834072_100009817552 [0,2,0,0,0,0|1,0,0]=3 19718 B13R1.150 Cc1cccc(c1O)C=CC(C)O 271570a_200011019289_100009817157 [0,2,0,0,0,0|0,0,2]=4 19719 B13R1.150 Cc1cccc(c1O)CNC(C)C 34a_100020639391_100000210206 [0,2,0,0,0,0|2,0,0]=4 19720 B13R1.150 Cc1cccc(c1O)NCC(C)C 34a_100000756359_100000210624 [0,2,0,0,0,0|2,0,0]=4 19721 B13R1.150 Cc1cccc(c1O)NCC(C)O 34a_100000756359_100011218427 [0,2,0,0,0,0|1,0,0]=3 19722 B13R1.150 Cc1cccc(c1O)NC[C@@H](C)O 34a_100000756359_100009817552 [0,2,0,0,0,0|1,0,0]=3 19723 B13R1.150 Cc1cccc(c1O)SCC(C)C 62a_100000210624_100009817157 [0,2,0,0,0,0|2,0,0]=4 19724 B13R1.150 Cc1cccc(c1O)SCC(C)C 62a_100009817157_100000210760 [0,2,0,0,0,0|2,0,0]=4 19725 B13R1.150 Cc1cccc(c1O)SCC(C)O 62a_100009817157_100011218427 [0,2,0,0,0,0|1,0,0]=3 19726 B13R1.150 Cc1cccc(c1O)SCC(C)O 62a_100011218427_100009817157 [0,2,0,0,0,0|1,0,0]=3 19727 B13R1.150 Cc1cccc(c1O)SC[C@@H](C)O 62a_100009817157_100009817552 [0,2,0,0,0,0|1,0,0]=3 19728 B13R1.150 Cc1cccc(c1O)SC[C@@H](C)O 62a_100009817552_100009817157 [0,2,0,0,0,0|1,0,0]=3 19729 B13R1.150 Cc1ccnc(c1Br)OCC(C)O 34a_100012000493_100011218427 [0,2,0,0,0,0|2,0,0]=4 19730 B13R1.150 Cc1ccnc(c1Br)OC[C@@H](C)O 34a_100012000493_100009817552 [0,2,0,0,0,0|2,0,0]=4 19731 B13R1.150 Cc1ccnc(c1C)SCC(C)O 62a_100009847204_100011218427 [0,2,0,0,0,0|2,0,0]=4 19732 B13R1.150 Cc1ccnc(c1C)SCC(C)O 62a_100011218427_100009847204 [0,2,0,0,0,0|2,0,0]=4 19733 B13R1.150 Cc1ccnc(c1C)SC[C@@H](C)O 62a_100009817552_100009847204 [0,2,0,0,0,0|2,0,0]=4 19734 B13R1.150 Cc1ccnc(c1C)SC[C@@H](C)O 62a_100009847204_100009817552 [0,2,0,0,0,0|2,0,0]=4 19735 B13R1.150 Cc1ccnc(c1F)SCC(C)O 62a_100009817629_100011218427 [0,2,0,0,0,0|2,0,0]=4 19736 B13R1.150 Cc1ccnc(c1F)SCC(C)O 62a_100011218427_100009817629 [0,2,0,0,0,0|2,0,0]=4 19737 B13R1.150 Cc1ccnc(c1F)SC[C@@H](C)O 62a_100009817552_100009817629 [0,2,0,0,0,0|2,0,0]=4 19738 B13R1.150 Cc1ccnc(c1F)SC[C@@H](C)O 62a_100009817629_100009817552 [0,2,0,0,0,0|2,0,0]=4 19739 B13R1.150 Cc1ccnc(c1N)SCC(C)O 62a_100000763560_100011218427 [0,2,0,0,0,0|2,0,0]=4 19740 B13R1.150 Cc1ccnc(c1N)SCC(C)O 62a_100011218427_100000763560 [0,2,0,0,0,0|2,0,0]=4 19741 B13R1.150 Cc1ccnc(c1N)SC[C@@H](C)O 62a_100000763560_100009817552 [0,2,0,0,0,0|2,0,0]=4 19742 B13R1.150 Cc1ccnc(c1N)SC[C@@H](C)O 62a_100009817552_100000763560 [0,2,0,0,0,0|2,0,0]=4 19743 B13R1.150 Cc1ccnc(c1O)SCC(C)O 62a_100011218427_100000696282 [0,2,0,0,0,0|2,0,0]=4 19744 B13R1.150 Cc1ccnc(c1O)SC[C@@H](C)O 62a_100009817552_100000696282 [0,2,0,0,0,0|2,0,0]=4 19745 B13R1.150 Cc1cncc(c1C)SCC(C)O 62a_100009864703_100011218427 [0,2,0,0,0,0|2,0,0]=4 19746 B13R1.150 Cc1cncc(c1C)SCC(C)O 62a_100011218427_100009864703 [0,2,0,0,0,0|2,0,0]=4 19747 B13R1.150 Cc1cncc(c1C)SC[C@@H](C)O 62a_100009817552_100009864703 [0,2,0,0,0,0|2,0,0]=4 19748 B13R1.150 Cc1cncc(c1C)SC[C@@H](C)O 62a_100009864703_100009817552 [0,2,0,0,0,0|2,0,0]=4 19749 B13R1.150 Cc1cncc(c1N)SCC(C)O 62a_100009818025_100011218427 [0,2,0,0,0,0|2,0,0]=4 19750 B13R1.150 Cc1cncc(c1N)SCC(C)O 62a_100011218427_100009818025 [0,2,0,0,0,0|2,0,0]=4 19751 B13R1.150 Cc1cncc(c1N)SC[C@@H](C)O 62a_100009817552_100009818025 [0,2,0,0,0,0|2,0,0]=4 19752 B13R1.150 Cc1cncc(c1N)SC[C@@H](C)O 62a_100009818025_100009817552 [0,2,0,0,0,0|2,0,0]=4 19753 B13R1.150 Cc1nccc(c1C)SCC(C)O 62a_100009846815_100011218427 [0,2,0,0,0,0|2,0,0]=4 19754 B13R1.150 Cc1nccc(c1C)SCC(C)O 62a_100011218427_100009846815 [0,2,0,0,0,0|2,0,0]=4 19755 B13R1.150 Cc1nccc(c1C)SC[C@@H](C)O 62a_100009817552_100009846815 [0,2,0,0,0,0|2,0,0]=4 19756 B13R1.150 Cc1nccc(c1C)SC[C@@H](C)O 62a_100009846815_100009817552 [0,2,0,0,0,0|2,0,0]=4 19757 B13R1.150 Cc1nccc(c1Cl)NCC(C)O 27a_100000210904_100000698670 [0,2,0,0,0,0|2,0,0]=4 19758 B13R1.150 Cc1nccc(c1Cl)SCC(C)O 62a_100000698670_100011218427 [0,2,0,0,0,0|2,0,0]=4 19759 B13R1.150 Cc1nccc(c1Cl)SCC(C)O 62a_100011218427_100000698670 [0,2,0,0,0,0|2,0,0]=4 19760 B13R1.150 Cc1nccc(c1Cl)SC[C@@H](C)O 62a_100000698670_100009817552 [0,2,0,0,0,0|2,0,0]=4 19761 B13R1.150 Cc1nccc(c1Cl)SC[C@@H](C)O 62a_100009817552_100000698670 [0,2,0,0,0,0|2,0,0]=4 19762 B13R1.150 Cc1nccc(c1F)NCC(C)O 27a_100000210904_100009849794 [0,2,0,0,0,0|2,0,0]=4 19763 B13R1.150 Cc1nccc(c1F)SCC(C)O 62a_100009849794_100011218427 [0,2,0,0,0,0|2,0,0]=4 19764 B13R1.150 Cc1nccc(c1F)SCC(C)O 62a_100011218427_100009849794 [0,2,0,0,0,0|2,0,0]=4 19765 B13R1.150 Cc1nccc(c1F)SC[C@@H](C)O 62a_100009817552_100009849794 [0,2,0,0,0,0|2,0,0]=4 19766 B13R1.150 Cc1nccc(c1F)SC[C@@H](C)O 62a_100009849794_100009817552 [0,2,0,0,0,0|2,0,0]=4 19767 B13R1.150 Cc1nccc(c1N)SCC(C)O 62a_100009885578_100011218427 [0,2,0,0,0,0|2,0,0]=4 19768 B13R1.150 Cc1nccc(c1N)SCC(C)O 62a_100011218427_100009885578 [0,2,0,0,0,0|2,0,0]=4 19769 B13R1.150 Cc1nccc(c1N)SC[C@@H](C)O 62a_100009817552_100009885578 [0,2,0,0,0,0|2,0,0]=4 19770 B13R1.150 Cc1nccc(c1N)SC[C@@H](C)O 62a_100009885578_100009817552 [0,2,0,0,0,0|2,0,0]=4 19771 B13R1.150 [13CH3]C(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200025704644 [0,2,0,0,0,0|0,0,2]=4 19772 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Br 1458a_100012349569_200025704644 [0,2,0,0,0,0|0,0,2]=4 19773 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200025704644 [0,2,0,0,0,0|0,0,2]=4 19774 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)F 1458a_100000748811_200025704644 [0,2,0,0,0,0|0,0,2]=4 19775 B13R1.150 [13CH3]C(=O)CCc1cccc(c1O)O 1458a_100009873524_200025704644 [0,2,0,0,0,0|0,0,2]=4 19776 B13R1.157 CC(C)(C)CNc1ccccc1Br 34a_100000210017_100011219605 [0,2,0,0,0,0|2,0,0]=4 19777 B13R1.157 CC(C)(C)CNc1ccccc1Cl 34a_100000185783_100011219605 [0,2,0,0,0,0|2,0,0]=4 19778 B13R1.157 CC(C)(C)CNc1ccccc1F 34a_100000210422_100011219605 [0,2,0,0,0,0|2,0,0]=4 19779 B13R1.157 CC(C)(C)CNc1ccccc1I 34a_100000210053_100011219605 [0,2,0,0,0,0|2,0,0]=4 19780 B13R1.157 CC(C)(C)CNc1ccccc1O 34a_100000185747_100011219605 [0,2,0,0,0,0|2,0,0]=4 19781 B13R1.157 CC(C)(C)COc1ccccc1Br 34a_100000181306_100011219605 [0,2,0,0,0,0|2,0,0]=4 19782 B13R1.157 CC(C)(C)COc1ccccc1Cl 34a_100000210172_100011219605 [0,2,0,0,0,0|2,0,0]=4 19783 B13R1.157 CC(C)(C)COc1ccccc1F 34a_100000210171_100011219605 [0,2,0,0,0,0|2,0,0]=4 19784 B13R1.157 CC(C)(C)COc1ccccc1I 34a_100000739446_100011219605 [0,2,0,0,0,0|2,0,0]=4 19785 B13R1.157 CC(C)(C)COc1ccccc1N 34a_100000185747_100011219605 [0,2,0,0,0,0|2,0,0]=4 19786 B13R1.157 CC(C)(C)CSc1ccccc1Br 62a_100000695589_100011219605 [0,2,0,0,0,0|2,0,0]=4 19787 B13R1.157 CC(C)(C)CSc1ccccc1Br 62a_100011219605_100000695589 [0,2,0,0,0,0|2,0,0]=4 19788 B13R1.157 CC(C)(C)CSc1ccccc1Cl 62a_100000764095_100011219605 [0,2,0,0,0,0|2,0,0]=4 19789 B13R1.157 CC(C)(C)CSc1ccccc1Cl 62a_100011219605_100000764095 [0,2,0,0,0,0|2,0,0]=4 19790 B13R1.157 CC(C)(C)CSc1ccccc1F 62a_100011215700_100011219605 [0,2,0,0,0,0|2,0,0]=4 19791 B13R1.157 CC(C)(C)CSc1ccccc1F 62a_100011219605_100011215700 [0,2,0,0,0,0|2,0,0]=4 19792 B13R1.157 CC(C)(C)CSc1ccccc1N 62a_100000210017_100011219605 [0,2,0,0,0,0|2,0,0]=4 19793 B13R1.157 CC(C)(C)CSc1ccccc1N 62a_100011219605_100000210017 [0,2,0,0,0,0|2,0,0]=4 19794 B13R1.157 CC(C)(C)CSc1ccccc1O 62a_100000739446_100011219605 [0,2,0,0,0,0|2,0,0]=4 19795 B13R1.157 CC(C)(C)CSc1ccccc1O 62a_100011219605_100000739446 [0,2,0,0,0,0|2,0,0]=4 19796 B13R1.157 CC(C)(C)NCc1ccccc1Br 207a_100000715429_100000211189 [0,2,0,0,0,0|2,0,0]=4 19797 B13R1.157 CC(C)(C)NCc1ccccc1Br 2230a_100000715429_100000184730 [0,2,0,0,0,0|2,0,0]=4 19798 B13R1.157 CC(C)(C)NCc1ccccc1Br 34a_100000689332_100000210625 [0,2,0,0,0,0|2,0,0]=4 19799 B13R1.157 CC(C)(C)NCc1ccccc1Cl 207a_100000715429_100000210073 [0,2,0,0,0,0|2,0,0]=4 19800 B13R1.157 CC(C)(C)NCc1ccccc1Cl 2230a_100000715429_100000187162 [0,2,0,0,0,0|2,0,0]=4 19801 B13R1.157 CC(C)(C)NCc1ccccc1Cl 34a_100000174879_100000210625 [0,2,0,0,0,0|2,0,0]=4 19802 B13R1.157 CC(C)(C)NCc1ccccc1F 207a_100000715429_100000210811 [0,2,0,0,0,0|2,0,0]=4 19803 B13R1.157 CC(C)(C)NCc1ccccc1F 2230a_100000715429_100000211605 [0,2,0,0,0,0|2,0,0]=4 19804 B13R1.157 CC(C)(C)NCc1ccccc1F 34a_100000174869_100000210625 [0,2,0,0,0,0|2,0,0]=4 19805 B13R1.157 CC(C)(C)NCc1ccccc1I 207a_100000715429_100000010305 [0,2,0,0,0,0|2,0,0]=4 19806 B13R1.157 CC(C)(C)NCc1ccccc1I 2230a_100000715429_100011215278 [0,2,0,0,0,0|2,0,0]=4 19807 B13R1.157 CC(C)(C)NCc1ccccc1O 271570a_203496583355_100000740897 [0,2,0,0,0,0|2,0,0]=4 19808 B13R1.157 CC(C)(C)NCc1ccccc1O 34a_100000185550_100000210625 [0,2,0,0,0,0|2,0,0]=4 19809 B13R1.157 CC(C)(C)OCc1ccccc1Br 34a_100000756307_100000210625 [0,2,0,0,0,0|2,0,0]=4 19810 B13R1.157 CC(C)(C)OCc1ccccc1Br 34a_100015890283_100000184730 [0,2,0,0,0,0|2,0,0]=4 19811 B13R1.157 CC(C)(C)OCc1ccccc1Br 7a_100015890283_100000184730 [0,2,0,0,0,0|2,0,0]=4 19812 B13R1.157 CC(C)(C)OCc1ccccc1Cl 34a_100000210847_100000210625 [0,2,0,0,0,0|2,0,0]=4 19813 B13R1.157 CC(C)(C)OCc1ccccc1Cl 34a_100015890283_100000187162 [0,2,0,0,0,0|2,0,0]=4 19814 B13R1.157 CC(C)(C)OCc1ccccc1Cl 7a_100015890283_100000187162 [0,2,0,0,0,0|2,0,0]=4 19815 B13R1.157 CC(C)(C)OCc1ccccc1F 34a_100000211962_100000210625 [0,2,0,0,0,0|2,0,0]=4 19816 B13R1.157 CC(C)(C)OCc1ccccc1F 34a_100015890283_100000211605 [0,2,0,0,0,0|2,0,0]=4 19817 B13R1.157 CC(C)(C)OCc1ccccc1F 7a_100015890283_100000211605 [0,2,0,0,0,0|2,0,0]=4 19818 B13R1.157 CC(C)(C)OCc1ccccc1I 34a_100000187465_100000210625 [0,2,0,0,0,0|2,0,0]=4 19819 B13R1.157 CC(C)(C)OCc1ccccc1I 34a_100015890283_100011215278 [0,2,0,0,0,0|2,0,0]=4 19820 B13R1.157 CC(C)(C)OCc1ccccc1I 7a_100015890283_100011215278 [0,2,0,0,0,0|2,0,0]=4 19821 B13R1.157 CC(C)(C)OCc1ccccc1N 34a_100000212039_100000210625 [0,2,0,0,0,0|2,0,0]=4 19822 B13R1.157 CC(C)(C)SCc1ccccc1Br 62a_100000184730_100000211941 [0,2,0,0,0,0|2,0,0]=4 19823 B13R1.157 CC(C)(C)SCc1ccccc1Br 62a_100000211941_100000184730 [0,2,0,0,0,0|2,0,0]=4 19824 B13R1.157 CC(C)(C)SCc1ccccc1Cl 62a_100000187162_100000211941 [0,2,0,0,0,0|2,0,0]=4 19825 B13R1.157 CC(C)(C)SCc1ccccc1Cl 62a_100000211941_100000187162 [0,2,0,0,0,0|2,0,0]=4 19826 B13R1.157 CC(C)(C)SCc1ccccc1F 62a_100000211605_100000211941 [0,2,0,0,0,0|2,0,0]=4 19827 B13R1.157 CC(C)(C)SCc1ccccc1F 62a_100000211941_100000211605 [0,2,0,0,0,0|2,0,0]=4 19828 B13R1.157 CC(C)(C)SCc1ccccc1I 62a_100000211941_100011216222 [0,2,0,0,0,0|2,0,0]=4 19829 B13R1.157 CC(C)(C)SCc1ccccc1I 62a_100011216222_100000211941 [0,2,0,0,0,0|2,0,0]=4 19830 B13R1.157 CC(C)(F)CNc1ccccc1Br 34a_100000210017_100011997219 [0,2,0,0,0,0|2,0,0]=4 19831 B13R1.157 CC(C)(F)CNc1ccccc1Cl 34a_100000185783_100011997219 [0,2,0,0,0,0|2,0,0]=4 19832 B13R1.157 CC(C)(F)CNc1ccccc1F 34a_100000210422_100011997219 [0,2,0,0,0,0|2,0,0]=4 19833 B13R1.157 CC(C)(F)CNc1ccccc1I 34a_100000210053_100011997219 [0,2,0,0,0,0|2,0,0]=4 19834 B13R1.157 CC(C)(F)CNc1ccccc1O 34a_100000185747_100011997219 [0,2,0,0,0,0|2,0,0]=4 19835 B13R1.157 CC(C)(F)COc1ccccc1Br 34a_100000181306_100011997219 [0,2,0,0,0,0|2,0,0]=4 19836 B13R1.157 CC(C)(F)COc1ccccc1Cl 34a_100000210172_100011997219 [0,2,0,0,0,0|2,0,0]=4 19837 B13R1.157 CC(C)(F)COc1ccccc1F 34a_100000210171_100011997219 [0,2,0,0,0,0|2,0,0]=4 19838 B13R1.157 CC(C)(F)COc1ccccc1I 34a_100000739446_100011997219 [0,2,0,0,0,0|2,0,0]=4 19839 B13R1.157 CC(C)(F)COc1ccccc1N 34a_100000185747_100011997219 [0,2,0,0,0,0|2,0,0]=4 19840 B13R1.157 CC(C)(F)CSc1ccccc1Br 62a_100000695589_100011997219 [0,2,0,0,0,0|2,0,0]=4 19841 B13R1.157 CC(C)(F)CSc1ccccc1Br 62a_100011997219_100000695589 [0,2,0,0,0,0|2,0,0]=4 19842 B13R1.157 CC(C)(F)CSc1ccccc1Cl 62a_100000764095_100011997219 [0,2,0,0,0,0|2,0,0]=4 19843 B13R1.157 CC(C)(F)CSc1ccccc1Cl 62a_100011997219_100000764095 [0,2,0,0,0,0|2,0,0]=4 19844 B13R1.157 CC(C)(F)CSc1ccccc1F 62a_100011215700_100011997219 [0,2,0,0,0,0|2,0,0]=4 19845 B13R1.157 CC(C)(F)CSc1ccccc1F 62a_100011997219_100011215700 [0,2,0,0,0,0|2,0,0]=4 19846 B13R1.157 CC(C)(F)CSc1ccccc1N 62a_100000210017_100011997219 [0,2,0,0,0,0|2,0,0]=4 19847 B13R1.157 CC(C)(F)CSc1ccccc1N 62a_100011997219_100000210017 [0,2,0,0,0,0|2,0,0]=4 19848 B13R1.157 CC(C)(F)CSc1ccccc1O 62a_100000739446_100011997219 [0,2,0,0,0,0|2,0,0]=4 19849 B13R1.157 CC(C)(F)CSc1ccccc1O 62a_100011997219_100000739446 [0,2,0,0,0,0|2,0,0]=4 19850 B13R1.157 CC(C)(O)C=Cc1ccccc1Br 271570a_200016258132_100000695589 [0,2,0,0,0,0|0,0,2]=4 19851 B13R1.157 CC(C)(O)C=Cc1ccccc1Cl 271570a_200016258132_100000764095 [0,2,0,0,0,0|0,0,2]=4 19852 B13R1.157 CC(C)(O)C=Cc1ccccc1F 271570a_200016258132_100011215700 [0,2,0,0,0,0|0,0,2]=4 19853 B13R1.157 CC(C)(O)C=Cc1ccccc1N 271570a_200016258132_100000210017 [0,2,0,0,0,0|0,0,2]=4 19854 B13R1.157 CC(C)(O)C=Cc1ccccc1O 271570a_200016258132_100000739446 [0,2,0,0,0,0|0,0,2]=4 19855 B13R1.157 CC(C)(O)CNc1ccccc1Br 34a_100000210017_100000764493 [0,2,0,0,0,0|1,0,0]=3 19856 B13R1.157 CC(C)(O)CNc1ccccc1Cl 34a_100000185783_100000764493 [0,2,0,0,0,0|1,0,0]=3 19857 B13R1.157 CC(C)(O)CNc1ccccc1F 34a_100000210422_100000764493 [0,2,0,0,0,0|1,0,0]=3 19858 B13R1.157 CC(C)(O)CNc1ccccc1I 34a_100000210053_100000764493 [0,2,0,0,0,0|1,0,0]=3 19859 B13R1.157 CC(C)(O)CNc1ccccc1O 34a_100000185747_100000764493 [0,2,0,0,0,0|1,0,0]=3 19860 B13R1.157 CC(C)(O)CNc1ccncc1Br 27a_100000751335_100000726257 [0,2,0,0,0,0|2,0,0]=4 19861 B13R1.157 CC(C)(O)CNc1ccncc1F 27a_100000751335_100000035921 [0,2,0,0,0,0|2,0,0]=4 19862 B13R1.157 CC(C)(O)CNc1ncccc1Br 27a_100000751335_100000696092 [0,2,0,0,0,0|2,0,0]=4 19863 B13R1.157 CC(C)(O)COc1cccc[n+]1[O-] 7a_100000211761_100000764493 [0,2,0,0,0,0|2,0,0]=4 19864 B13R1.157 CC(C)(O)COc1ccccc1Br 34a_100000181306_100000764493 [0,2,0,0,0,0|1,0,0]=3 19865 B13R1.157 CC(C)(O)COc1ccccc1Br 7a_100000181306_100000764493 [0,2,0,0,0,0|1,0,0]=3 19866 B13R1.157 CC(C)(O)COc1ccccc1Cl 34a_100000210172_100000764493 [0,2,0,0,0,0|1,0,0]=3 19867 B13R1.157 CC(C)(O)COc1ccccc1Cl 7a_100000210172_100000764493 [0,2,0,0,0,0|1,0,0]=3 19868 B13R1.157 CC(C)(O)COc1ccccc1F 34a_100000210171_100000764493 [0,2,0,0,0,0|1,0,0]=3 19869 B13R1.157 CC(C)(O)COc1ccccc1F 7a_100000210171_100000764493 [0,2,0,0,0,0|1,0,0]=3 19870 B13R1.157 CC(C)(O)COc1ccccc1I 34a_100000739446_100000764493 [0,2,0,0,0,0|1,0,0]=3 19871 B13R1.157 CC(C)(O)COc1ccccc1I 7a_100000739446_100000764493 [0,2,0,0,0,0|1,0,0]=3 19872 B13R1.157 CC(C)(O)COc1ccccc1N 34a_100000185747_100000764493 [0,2,0,0,0,0|1,0,0]=3 19873 B13R1.157 CC(C)(O)COc1ccccc1N 7a_100000185747_100000764493 [0,2,0,0,0,0|1,0,0]=3 19874 B13R1.157 CC(C)(O)COc1cccnc1Br 34a_100000744436_100000764493 [0,2,0,0,0,0|2,0,0]=4 19875 B13R1.157 CC(C)(O)COc1cccnc1Br 7a_100000744436_100000764493 [0,2,0,0,0,0|2,0,0]=4 19876 B13R1.157 CC(C)(O)COc1cccnc1Cl 34a_100000757616_100000764493 [0,2,0,0,0,0|2,0,0]=4 19877 B13R1.157 CC(C)(O)COc1cccnc1Cl 7a_100000757616_100000764493 [0,2,0,0,0,0|2,0,0]=4 19878 B13R1.157 CC(C)(O)COc1cccnc1F 34a_100000061740_100000764493 [0,2,0,0,0,0|2,0,0]=4 19879 B13R1.157 CC(C)(O)COc1cccnc1F 7a_100000061740_100000764493 [0,2,0,0,0,0|2,0,0]=4 19880 B13R1.157 CC(C)(O)COc1cccnc1I 34a_100000034122_100000764493 [0,2,0,0,0,0|2,0,0]=4 19881 B13R1.157 CC(C)(O)COc1cccnc1I 7a_100000034122_100000764493 [0,2,0,0,0,0|2,0,0]=4 19882 B13R1.157 CC(C)(O)COc1cccnc1N 34a_100000211975_100000764493 [0,2,0,0,0,0|2,0,0]=4 19883 B13R1.157 CC(C)(O)COc1cccnc1N 7a_100000211975_100000764493 [0,2,0,0,0,0|2,0,0]=4 19884 B13R1.157 CC(C)(O)COc1cccoc1=O 34a_100000077404_100000764493 [0,2,0,0,0,0|2,0,0]=4 19885 B13R1.157 CC(C)(O)COc1cccoc1=O 7a_100000077404_100000764493 [0,2,0,0,0,0|2,0,0]=4 19886 B13R1.157 CC(C)(O)COc1ccncc1Br 34a_100011996408_100000764493 [0,2,0,0,0,0|2,0,0]=4 19887 B13R1.157 CC(C)(O)COc1ccncc1Cl 34a_100011997054_100000764493 [0,2,0,0,0,0|2,0,0]=4 19888 B13R1.157 CC(C)(O)COc1ccncc1F 34a_200000081243_100000764493 [0,2,0,0,0,0|2,0,0]=4 19889 B13R1.157 CC(C)(O)COc1cnccc1Cl 34a_100011996695_100000764493 [0,2,0,0,0,0|2,0,0]=4 19890 B13R1.157 CC(C)(O)COc1cnccc1I 34a_100000050107_100000764493 [0,2,0,0,0,0|2,0,0]=4 19891 B13R1.157 CC(C)(O)COc1cnccc1N 34a_100000753702_100000764493 [0,2,0,0,0,0|2,0,0]=4 19892 B13R1.157 CC(C)(O)COc1coccc1=O 34a_100000060831_100000764493 [0,2,0,0,0,0|2,0,0]=4 19893 B13R1.157 CC(C)(O)COc1ncccc1Cl 34a_100011290957_100000764493 [0,2,0,0,0,0|2,0,0]=4 19894 B13R1.157 CC(C)(O)COc1ncccc1F 34a_100011219419_100000764493 [0,2,0,0,0,0|2,0,0]=4 19895 B13R1.157 CC(C)(O)COc1ncccc1N 34a_100000746358_100000764493 [0,2,0,0,0,0|2,0,0]=4 19896 B13R1.157 CC(C)(O)CSc1c[nH]ccc1=O 62a_100000764493_100009998708 [0,2,0,0,0,0|2,0,0]=4 19897 B13R1.157 CC(C)(O)CSc1c[nH]ccc1=O 62a_100009998708_100000764493 [0,2,0,0,0,0|2,0,0]=4 19898 B13R1.157 CC(C)(O)CSc1c[nH]ccc1=S 62a_100000764493_200012280681 [0,2,0,0,0,0|2,0,0]=4 19899 B13R1.157 CC(C)(O)CSc1c[nH]ccc1=S 62a_200012280681_100000764493 [0,2,0,0,0,0|2,0,0]=4 19900 B13R1.157 CC(C)(O)CSc1cccc[n+]1[O-] 62a_100000764493_200000042595 [0,2,0,0,0,0|2,0,0]=4 19901 B13R1.157 CC(C)(O)CSc1ccccc1Br 62a_100000695589_100000764493 [0,2,0,0,0,0|1,0,0]=3 19902 B13R1.157 CC(C)(O)CSc1ccccc1Br 62a_100000764493_100000695589 [0,2,0,0,0,0|1,0,0]=3 19903 B13R1.157 CC(C)(O)CSc1ccccc1Cl 62a_100000764095_100000764493 [0,2,0,0,0,0|1,0,0]=3 19904 B13R1.157 CC(C)(O)CSc1ccccc1Cl 62a_100000764493_100000764095 [0,2,0,0,0,0|1,0,0]=3 19905 B13R1.157 CC(C)(O)CSc1ccccc1F 62a_100000764493_100011215700 [0,2,0,0,0,0|1,0,0]=3 19906 B13R1.157 CC(C)(O)CSc1ccccc1F 62a_100011215700_100000764493 [0,2,0,0,0,0|1,0,0]=3 19907 B13R1.157 CC(C)(O)CSc1ccccc1N 62a_100000210017_100000764493 [0,2,0,0,0,0|1,0,0]=3 19908 B13R1.157 CC(C)(O)CSc1ccccc1N 62a_100000764493_100000210017 [0,2,0,0,0,0|1,0,0]=3 19909 B13R1.157 CC(C)(O)CSc1ccccc1O 62a_100000739446_100000764493 [0,2,0,0,0,0|1,0,0]=3 19910 B13R1.157 CC(C)(O)CSc1ccccc1O 62a_100000764493_100000739446 [0,2,0,0,0,0|1,0,0]=3 19911 B13R1.157 CC(C)(O)CSc1cccnc1Br 62a_100000764493_100010202626 [0,2,0,0,0,0|2,0,0]=4 19912 B13R1.157 CC(C)(O)CSc1cccnc1Br 62a_100010202626_100000764493 [0,2,0,0,0,0|2,0,0]=4 19913 B13R1.157 CC(C)(O)CSc1cccnc1Cl 62a_100000036424_100000764493 [0,2,0,0,0,0|2,0,0]=4 19914 B13R1.157 CC(C)(O)CSc1cccnc1Cl 62a_100000764493_100000036424 [0,2,0,0,0,0|2,0,0]=4 19915 B13R1.157 CC(C)(O)CSc1cccnc1F 62a_100000764493_100009816115 [0,2,0,0,0,0|2,0,0]=4 19916 B13R1.157 CC(C)(O)CSc1cccnc1F 62a_100009816115_100000764493 [0,2,0,0,0,0|2,0,0]=4 19917 B13R1.157 CC(C)(O)CSc1cccnc1N 62a_100000045569_100000764493 [0,2,0,0,0,0|2,0,0]=4 19918 B13R1.157 CC(C)(O)CSc1cccnc1N 62a_100000764493_100000045569 [0,2,0,0,0,0|2,0,0]=4 19919 B13R1.157 CC(C)(O)CSc1cccnc1O 62a_100000760158_100000764493 [0,2,0,0,0,0|2,0,0]=4 19920 B13R1.157 CC(C)(O)CSc1cccnc1O 62a_100000764493_100000760158 [0,2,0,0,0,0|2,0,0]=4 19921 B13R1.157 CC(C)(O)CSc1ccncc1Br 62a_100000726257_100000764493 [0,2,0,0,0,0|2,0,0]=4 19922 B13R1.157 CC(C)(O)CSc1ccncc1Br 62a_100000764493_100000726257 [0,2,0,0,0,0|2,0,0]=4 19923 B13R1.157 CC(C)(O)CSc1ccncc1Cl 62a_100000708259_100000764493 [0,2,0,0,0,0|2,0,0]=4 19924 B13R1.157 CC(C)(O)CSc1ccncc1Cl 62a_100000764493_100000708259 [0,2,0,0,0,0|2,0,0]=4 19925 B13R1.157 CC(C)(O)CSc1ccncc1F 62a_100000047030_100000764493 [0,2,0,0,0,0|2,0,0]=4 19926 B13R1.157 CC(C)(O)CSc1ccncc1F 62a_100000764493_100000047030 [0,2,0,0,0,0|2,0,0]=4 19927 B13R1.157 CC(C)(O)CSc1ccncc1N 62a_100000756074_100000764493 [0,2,0,0,0,0|2,0,0]=4 19928 B13R1.157 CC(C)(O)CSc1ccncc1N 62a_100000764493_100000756074 [0,2,0,0,0,0|2,0,0]=4 19929 B13R1.157 CC(C)(O)CSc1ccncc1O 62a_100000764493_100009817591 [0,2,0,0,0,0|2,0,0]=4 19930 B13R1.157 CC(C)(O)CSc1ccncc1O 62a_100009817591_100000764493 [0,2,0,0,0,0|2,0,0]=4 19931 B13R1.157 CC(C)(O)CSc1cnccc1Br 62a_100000764493_100010138639 [0,2,0,0,0,0|2,0,0]=4 19932 B13R1.157 CC(C)(O)CSc1cnccc1Br 62a_100010138639_100000764493 [0,2,0,0,0,0|2,0,0]=4 19933 B13R1.157 CC(C)(O)CSc1cnccc1Cl 62a_100000764493_100009995489 [0,2,0,0,0,0|2,0,0]=4 19934 B13R1.157 CC(C)(O)CSc1cnccc1Cl 62a_100009995489_100000764493 [0,2,0,0,0,0|2,0,0]=4 19935 B13R1.157 CC(C)(O)CSc1cnccc1F 62a_100000764493_100009820683 [0,2,0,0,0,0|2,0,0]=4 19936 B13R1.157 CC(C)(O)CSc1cnccc1F 62a_100009820683_100000764493 [0,2,0,0,0,0|2,0,0]=4 19937 B13R1.157 CC(C)(O)CSc1cnccc1N 62a_100000047001_100000764493 [0,2,0,0,0,0|2,0,0]=4 19938 B13R1.157 CC(C)(O)CSc1cnccc1N 62a_100000764493_100000047001 [0,2,0,0,0,0|2,0,0]=4 19939 B13R1.157 CC(C)(O)CSc1ncccc1Br 62a_100000696092_100000764493 [0,2,0,0,0,0|2,0,0]=4 19940 B13R1.157 CC(C)(O)CSc1ncccc1Br 62a_100000764493_100000696092 [0,2,0,0,0,0|2,0,0]=4 19941 B13R1.157 CC(C)(O)CSc1ncccc1Cl 62a_100000764493_100011356963 [0,2,0,0,0,0|2,0,0]=4 19942 B13R1.157 CC(C)(O)CSc1ncccc1Cl 62a_100011356963_100000764493 [0,2,0,0,0,0|2,0,0]=4 19943 B13R1.157 CC(C)(O)CSc1ncccc1F 62a_100000685392_100000764493 [0,2,0,0,0,0|2,0,0]=4 19944 B13R1.157 CC(C)(O)CSc1ncccc1F 62a_100000764493_100000685392 [0,2,0,0,0,0|2,0,0]=4 19945 B13R1.157 CC(C)(O)CSc1ncccc1N 62a_100000688686_100000764493 [0,2,0,0,0,0|2,0,0]=4 19946 B13R1.157 CC(C)(O)CSc1ncccc1N 62a_100000764493_100000688686 [0,2,0,0,0,0|2,0,0]=4 19947 B13R1.157 CC(C)(O)CSc1ncccc1O 62a_100000034122_100000764493 [0,2,0,0,0,0|2,0,0]=4 19948 B13R1.157 CC(C)(O)CSc1ncccc1O 62a_100000764493_100000034122 [0,2,0,0,0,0|2,0,0]=4 19949 B13R1.157 C[n+]1ccccc1SCC(C)(C)O 62a_100000764493_100000212160 [0,2,0,0,0,0|2,0,0]=4 19950 B13R1.157 Cc1ccccc1C=CC(C)(C)O 271570a_200016258132_100000210755 [0,2,0,0,0,0|0,0,2]=4 19951 B13R1.157 Cc1ccccc1CNC(C)(C)C 207a_100000715429_100000211143 [0,2,0,0,0,0|2,0,0]=4 19952 B13R1.157 Cc1ccccc1CNC(C)(C)C 2230a_100000715429_100000211839 [0,2,0,0,0,0|2,0,0]=4 19953 B13R1.157 Cc1ccccc1CNC(C)(C)C 34a_100000174972_100000210625 [0,2,0,0,0,0|2,0,0]=4 19954 B13R1.157 Cc1ccccc1COC(C)(C)C 34a_100000698903_100000210625 [0,2,0,0,0,0|2,0,0]=4 19955 B13R1.157 Cc1ccccc1COC(C)(C)C 34a_100015890283_100000211839 [0,2,0,0,0,0|2,0,0]=4 19956 B13R1.157 Cc1ccccc1COC(C)(C)C 7a_100015890283_100000211839 [0,2,0,0,0,0|2,0,0]=4 19957 B13R1.157 Cc1ccccc1CSC(C)(C)C 62a_100000211839_100000211941 [0,2,0,0,0,0|2,0,0]=4 19958 B13R1.157 Cc1ccccc1CSC(C)(C)C 62a_100000211941_100000211839 [0,2,0,0,0,0|2,0,0]=4 19959 B13R1.157 Cc1ccccc1NCC(C)(C)C 34a_100015192222_100011219605 [0,2,0,0,0,0|2,0,0]=4 19960 B13R1.157 Cc1ccccc1NCC(C)(C)F 34a_100015192222_100011997219 [0,2,0,0,0,0|2,0,0]=4 19961 B13R1.157 Cc1ccccc1NCC(C)(C)O 34a_100015192222_100000764493 [0,2,0,0,0,0|1,0,0]=3 19962 B13R1.157 Cc1ccccc1OCC(C)(C)C 34a_100000210338_100011219605 [0,2,0,0,0,0|2,0,0]=4 19963 B13R1.157 Cc1ccccc1OCC(C)(C)F 34a_100000210338_100011997219 [0,2,0,0,0,0|2,0,0]=4 19964 B13R1.157 Cc1ccccc1OCC(C)(C)O 34a_100000210338_100000764493 [0,2,0,0,0,0|1,0,0]=3 19965 B13R1.157 Cc1ccccc1OCC(C)(C)O 7a_100000210338_100000764493 [0,2,0,0,0,0|1,0,0]=3 19966 B13R1.157 Cc1ccccc1SCC(C)(C)C 62a_100000210755_100011219605 [0,2,0,0,0,0|2,0,0]=4 19967 B13R1.157 Cc1ccccc1SCC(C)(C)C 62a_100011219605_100000210755 [0,2,0,0,0,0|2,0,0]=4 19968 B13R1.157 Cc1ccccc1SCC(C)(C)F 62a_100000210755_100011997219 [0,2,0,0,0,0|2,0,0]=4 19969 B13R1.157 Cc1ccccc1SCC(C)(C)F 62a_100011997219_100000210755 [0,2,0,0,0,0|2,0,0]=4 19970 B13R1.157 Cc1ccccc1SCC(C)(C)O 62a_100000210755_100000764493 [0,2,0,0,0,0|1,0,0]=3 19971 B13R1.157 Cc1ccccc1SCC(C)(C)O 62a_100000764493_100000210755 [0,2,0,0,0,0|1,0,0]=3 19972 B13R1.157 Cc1cccnc1SCC(C)(C)O 62a_100000751373_100000764493 [0,2,0,0,0,0|2,0,0]=4 19973 B13R1.157 Cc1cccnc1SCC(C)(C)O 62a_100000764493_100000751373 [0,2,0,0,0,0|2,0,0]=4 19974 B13R1.157 Cc1ccncc1OCC(C)(C)O 34a_100011997053_100000764493 [0,2,0,0,0,0|2,0,0]=4 19975 B13R1.157 Cc1ccncc1OCC(C)(C)O 7a_100011997053_100000764493 [0,2,0,0,0,0|2,0,0]=4 19976 B13R1.157 Cc1ccncc1SCC(C)(C)O 62a_100000761580_100000764493 [0,2,0,0,0,0|2,0,0]=4 19977 B13R1.157 Cc1ccncc1SCC(C)(C)O 62a_100000764493_100000761580 [0,2,0,0,0,0|2,0,0]=4 19978 B13R1.157 Cc1cnccc1NCC(C)(C)O 27a_100000751335_100000765111 [0,2,0,0,0,0|2,0,0]=4 19979 B13R1.157 Cc1cnccc1OCC(C)(C)O 34a_100000694293_100000764493 [0,2,0,0,0,0|2,0,0]=4 19980 B13R1.157 Cc1cnccc1SCC(C)(C)O 62a_100000764493_100000765111 [0,2,0,0,0,0|2,0,0]=4 19981 B13R1.157 Cc1cnccc1SCC(C)(C)O 62a_100000765111_100000764493 [0,2,0,0,0,0|2,0,0]=4 19982 B13R1.157 Cc1ncccc1OCC(C)(C)O 34a_100000745507_100000764493 [0,2,0,0,0,0|2,0,0]=4 19983 B13R1.157 Cc1ncccc1OCC(C)(C)O 7a_100000745507_100000764493 [0,2,0,0,0,0|2,0,0]=4 19984 B13R1.157 Cc1ncccc1SCC(C)(C)O 62a_100000751574_100000764493 [0,2,0,0,0,0|2,0,0]=4 19985 B13R1.157 Cc1ncccc1SCC(C)(C)O 62a_100000764493_100000751574 [0,2,0,0,0,0|2,0,0]=4 19986 B13R1.157 Oc1ccccc1CCC(F)(F)F 271570a_203496583355_200010238416 [0,2,0,0,0,0|2,0,0]=4 19987 B13R1.893 CC(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200000210301 [0,2,0,0,0,0|0,0,2]=4 19988 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [0,2,0,0,0,0|0,0,2]=4 19989 B13R1.893 CC(=O)CCc1cc(ccc1C)F 1458a_100011830270_200000210301 [0,2,0,0,0,0|0,0,2]=4 19990 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200000210301 [0,2,0,0,0,0|0,0,2]=4 19991 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200000210301 [0,2,0,0,0,0|0,0,2]=4 19992 B13R1.893 CC(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200000210301 [0,2,0,0,0,0|0,0,2]=4 19993 B13R1.893 CC(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200000210301 [0,2,0,0,0,0|0,0,2]=4 19994 B13R1.893 CC(=O)CCc1cc(ccc1F)C 1458a_100011934859_200000210301 [0,2,0,0,0,0|0,0,2]=4 19995 B13R1.893 CC(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200000210301 [0,2,0,0,0,0|0,0,2]=4 19996 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000070787_100011755056 [0,2,0,0,0,0|0,0,2]=4 19997 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000744313_200000210301 [0,2,0,0,0,0|0,0,2]=4 19998 B13R1.893 CC(C)CNc1cc(ccc1Br)Br 34a_100000737762_100000210624 [0,2,0,0,0,0|2,0,0]=4 19999 B13R1.893 CC(C)CNc1cc(ccc1Br)Cl 34a_100000687073_100000210624 [0,2,0,0,0,0|2,0,0]=4 20000 B13R1.893 CC(C)CNc1cc(ccc1Br)F 34a_100000687223_100000210624 [0,2,0,0,0,0|2,0,0]=4 20001 B13R1.893 CC(C)CNc1cc(ccc1Br)O 34a_100011999798_100000210624 [0,2,0,0,0,0|2,0,0]=4 20002 B13R1.893 CC(C)CNc1cc(ccc1Cl)Br 34a_100000750497_100000210624 [0,2,0,0,0,0|2,0,0]=4 20003 B13R1.893 CC(C)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000210624 [0,2,0,0,0,0|2,0,0]=4 20004 B13R1.893 CC(C)CNc1cc(ccc1Cl)F 34a_100000751338_100000210624 [0,2,0,0,0,0|2,0,0]=4 20005 B13R1.893 CC(C)CNc1cc(ccc1Cl)I 34a_200000761891_100000210624 [0,2,0,0,0,0|2,0,0]=4 20006 B13R1.893 CC(C)CNc1cc(ccc1Cl)O 34a_100011934297_100000210624 [0,2,0,0,0,0|2,0,0]=4 20007 B13R1.893 CC(C)CNc1cc(ccc1F)Br 34a_100000740924_100000210624 [0,2,0,0,0,0|2,0,0]=4 20008 B13R1.893 CC(C)CNc1cc(ccc1F)Cl 34a_100000212115_100000210624 [0,2,0,0,0,0|2,0,0]=4 20009 B13R1.893 CC(C)CNc1cc(ccc1F)F 34a_100000210742_100000210624 [0,2,0,0,0,0|2,0,0]=4 20010 B13R1.893 CC(C)CNc1cc(ccc1F)I 34a_100011464823_100000210624 [0,2,0,0,0,0|2,0,0]=4 20011 B13R1.893 CC(C)CNc1cc(ccc1F)O 34a_100012017239_100000210624 [0,2,0,0,0,0|2,0,0]=4 20012 B13R1.893 CC(C)CNc1cc(ccc1I)Br 34a_100000743836_100000210624 [0,2,0,0,0,0|2,0,0]=4 20013 B13R1.893 CC(C)CNc1cc(ccc1I)Cl 34a_100000761886_100000210624 [0,2,0,0,0,0|2,0,0]=4 20014 B13R1.893 CC(C)CNc1cc(ccc1I)F 34a_100011218093_100000210624 [0,2,0,0,0,0|2,0,0]=4 20015 B13R1.893 CC(C)CNc1cc(ccc1O)Br 34a_100000752626_100000210624 [0,2,0,0,0,0|2,0,0]=4 20016 B13R1.893 CC(C)CNc1cc(ccc1O)Cl 34a_100000210500_100000210624 [0,2,0,0,0,0|2,0,0]=4 20017 B13R1.893 CC(C)CNc1cc(ccc1O)F 34a_100000759472_100000210624 [0,2,0,0,0,0|2,0,0]=4 20018 B13R1.893 CC(C)COc1cc(ccc1Br)Br 34a_100011220040_100000210624 [0,2,0,0,0,0|2,0,0]=4 20019 B13R1.893 CC(C)COc1cc(ccc1Br)Br 7a_100011220040_100000210760 [0,2,0,0,0,0|2,0,0]=4 20020 B13R1.893 CC(C)COc1cc(ccc1Br)Cl 34a_100012339455_100000210624 [0,2,0,0,0,0|2,0,0]=4 20021 B13R1.893 CC(C)COc1cc(ccc1Br)Cl 7a_100012339455_100000210760 [0,2,0,0,0,0|2,0,0]=4 20022 B13R1.893 CC(C)COc1cc(ccc1Br)F 34a_100000690578_100000210624 [0,2,0,0,0,0|2,0,0]=4 20023 B13R1.893 CC(C)COc1cc(ccc1Br)F 7a_100000690578_100000210760 [0,2,0,0,0,0|2,0,0]=4 20024 B13R1.893 CC(C)COc1cc(ccc1Br)I 34a_100012356990_100000210624 [0,2,0,0,0,0|2,0,0]=4 20025 B13R1.893 CC(C)COc1cc(ccc1Br)I 7a_100012356990_100000210760 [0,2,0,0,0,0|2,0,0]=4 20026 B13R1.893 CC(C)COc1cc(ccc1Cl)Br 34a_100000738945_100000210624 [0,2,0,0,0,0|2,0,0]=4 20027 B13R1.893 CC(C)COc1cc(ccc1Cl)Br 7a_100000738945_100000210760 [0,2,0,0,0,0|2,0,0]=4 20028 B13R1.893 CC(C)COc1cc(ccc1Cl)Cl 34a_100000211422_100000210624 [0,2,0,0,0,0|2,0,0]=4 20029 B13R1.893 CC(C)COc1cc(ccc1Cl)Cl 7a_100000211422_100000210760 [0,2,0,0,0,0|2,0,0]=4 20030 B13R1.893 CC(C)COc1cc(ccc1Cl)F 34a_100000692107_100000210624 [0,2,0,0,0,0|2,0,0]=4 20031 B13R1.893 CC(C)COc1cc(ccc1Cl)F 7a_100000692107_100000210760 [0,2,0,0,0,0|2,0,0]=4 20032 B13R1.893 CC(C)COc1cc(ccc1Cl)I 34a_100011356854_100000210624 [0,2,0,0,0,0|2,0,0]=4 20033 B13R1.893 CC(C)COc1cc(ccc1Cl)I 7a_100011356854_100000210760 [0,2,0,0,0,0|2,0,0]=4 20034 B13R1.893 CC(C)COc1cc(ccc1Cl)N 34a_100011934209_100000210624 [0,2,0,0,0,0|2,0,0]=4 20035 B13R1.893 CC(C)COc1cc(ccc1F)Br 34a_100000686035_100000210624 [0,2,0,0,0,0|2,0,0]=4 20036 B13R1.893 CC(C)COc1cc(ccc1F)Br 7a_100000686035_100000210760 [0,2,0,0,0,0|2,0,0]=4 20037 B13R1.893 CC(C)COc1cc(ccc1F)Cl 34a_100000757397_100000210624 [0,2,0,0,0,0|2,0,0]=4 20038 B13R1.893 CC(C)COc1cc(ccc1F)Cl 7a_100000757397_100000210760 [0,2,0,0,0,0|2,0,0]=4 20039 B13R1.893 CC(C)COc1cc(ccc1F)F 34a_100000752141_100000210624 [0,2,0,0,0,0|2,0,0]=4 20040 B13R1.893 CC(C)COc1cc(ccc1F)F 7a_100000752141_100000210760 [0,2,0,0,0,0|2,0,0]=4 20041 B13R1.893 CC(C)COc1cc(ccc1F)I 34a_100009958187_100000210624 [0,2,0,0,0,0|2,0,0]=4 20042 B13R1.893 CC(C)COc1cc(ccc1F)I 7a_100009958187_100000210760 [0,2,0,0,0,0|2,0,0]=4 20043 B13R1.893 CC(C)COc1cc(ccc1F)N 34a_100012017398_100000210624 [0,2,0,0,0,0|2,0,0]=4 20044 B13R1.893 CC(C)COc1cc(ccc1F)N 7a_100012017398_100000210760 [0,2,0,0,0,0|2,0,0]=4 20045 B13R1.893 CC(C)COc1cc(ccc1I)Br 34a_100012344904_100000210624 [0,2,0,0,0,0|2,0,0]=4 20046 B13R1.893 CC(C)COc1cc(ccc1I)Br 7a_100012344904_100000210760 [0,2,0,0,0,0|2,0,0]=4 20047 B13R1.893 CC(C)COc1cc(ccc1I)Cl 34a_100000050036_100000210624 [0,2,0,0,0,0|2,0,0]=4 20048 B13R1.893 CC(C)COc1cc(ccc1I)Cl 7a_100000050036_100000210760 [0,2,0,0,0,0|2,0,0]=4 20049 B13R1.893 CC(C)COc1cc(ccc1I)F 34a_100010084537_100000210624 [0,2,0,0,0,0|2,0,0]=4 20050 B13R1.893 CC(C)COc1cc(ccc1I)F 7a_100010084537_100000210760 [0,2,0,0,0,0|2,0,0]=4 20051 B13R1.893 CC(C)COc1cc(ccc1N)Br 34a_100000739049_100000210624 [0,2,0,0,0,0|2,0,0]=4 20052 B13R1.893 CC(C)COc1cc(ccc1N)Br 7a_100000739049_100000210760 [0,2,0,0,0,0|2,0,0]=4 20053 B13R1.893 CC(C)COc1cc(ccc1N)Cl 34a_100000185728_100000210624 [0,2,0,0,0,0|2,0,0]=4 20054 B13R1.893 CC(C)COc1cc(ccc1N)Cl 7a_100000185728_100000210760 [0,2,0,0,0,0|2,0,0]=4 20055 B13R1.893 CC(C)COc1cc(ccc1N)F 34a_100000753323_100000210624 [0,2,0,0,0,0|2,0,0]=4 20056 B13R1.893 CC(C)COc1cc(ccc1N)F 7a_100000753323_100000210760 [0,2,0,0,0,0|2,0,0]=4 20057 B13R1.893 CC(C)COc1cc(ccc1N)I 34a_100000057187_100000210624 [0,2,0,0,0,0|2,0,0]=4 20058 B13R1.893 CC(C)COc1cc(ccc1N)I 7a_100000057187_100000210760 [0,2,0,0,0,0|2,0,0]=4 20059 B13R1.893 CC(C)COc1cc(ccc1N)N 34a_100025717382_100000210624 [0,2,0,0,0,0|2,0,0]=4 20060 B13R1.893 CC(C)CSc1cc(ccc1Br)Br 62a_100000210624_100011483371 [0,2,0,0,0,0|2,0,0]=4 20061 B13R1.893 CC(C)CSc1cc(ccc1Br)Br 62a_100011483371_100000210760 [0,2,0,0,0,0|2,0,0]=4 20062 B13R1.893 CC(C)CSc1cc(ccc1Br)Cl 62a_100000210624_100012339723 [0,2,0,0,0,0|2,0,0]=4 20063 B13R1.893 CC(C)CSc1cc(ccc1Br)Cl 62a_100012339723_100000210760 [0,2,0,0,0,0|2,0,0]=4 20064 B13R1.893 CC(C)CSc1cc(ccc1Br)F 62a_100000210624_100011217576 [0,2,0,0,0,0|2,0,0]=4 20065 B13R1.893 CC(C)CSc1cc(ccc1Br)F 62a_100011217576_100000210760 [0,2,0,0,0,0|2,0,0]=4 20066 B13R1.893 CC(C)CSc1cc(ccc1Br)N 62a_100000210624_100000750459 [0,2,0,0,0,0|2,0,0]=4 20067 B13R1.893 CC(C)CSc1cc(ccc1Br)N 62a_100000750459_100000210760 [0,2,0,0,0,0|2,0,0]=4 20068 B13R1.893 CC(C)CSc1cc(ccc1Br)O 62a_100000210624_100012339312 [0,2,0,0,0,0|2,0,0]=4 20069 B13R1.893 CC(C)CSc1cc(ccc1Br)O 62a_100012339312_100000210760 [0,2,0,0,0,0|2,0,0]=4 20070 B13R1.893 CC(C)CSc1cc(ccc1Cl)Br 62a_100000210624_100011772130 [0,2,0,0,0,0|2,0,0]=4 20071 B13R1.893 CC(C)CSc1cc(ccc1Cl)Br 62a_100011772130_100000210760 [0,2,0,0,0,0|2,0,0]=4 20072 B13R1.893 CC(C)CSc1cc(ccc1Cl)Cl 62a_100000210624_100000707729 [0,2,0,0,0,0|2,0,0]=4 20073 B13R1.893 CC(C)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000210760 [0,2,0,0,0,0|2,0,0]=4 20074 B13R1.893 CC(C)CSc1cc(ccc1Cl)F 62a_100000210624_100011217299 [0,2,0,0,0,0|2,0,0]=4 20075 B13R1.893 CC(C)CSc1cc(ccc1Cl)F 62a_100011217299_100000210760 [0,2,0,0,0,0|2,0,0]=4 20076 B13R1.893 CC(C)CSc1cc(ccc1Cl)N 62a_100000210624_100012360549 [0,2,0,0,0,0|2,0,0]=4 20077 B13R1.893 CC(C)CSc1cc(ccc1Cl)N 62a_100012360549_100000210760 [0,2,0,0,0,0|2,0,0]=4 20078 B13R1.893 CC(C)CSc1cc(ccc1Cl)O 62a_100000049588_100000210760 [0,2,0,0,0,0|2,0,0]=4 20079 B13R1.893 CC(C)CSc1cc(ccc1Cl)O 62a_100000210624_100000049588 [0,2,0,0,0,0|2,0,0]=4 20080 B13R1.893 CC(C)CSc1cc(ccc1F)Br 62a_100000210624_100011217312 [0,2,0,0,0,0|2,0,0]=4 20081 B13R1.893 CC(C)CSc1cc(ccc1F)Br 62a_100011217312_100000210760 [0,2,0,0,0,0|2,0,0]=4 20082 B13R1.893 CC(C)CSc1cc(ccc1F)Cl 62a_100000210624_100011218116 [0,2,0,0,0,0|2,0,0]=4 20083 B13R1.893 CC(C)CSc1cc(ccc1F)Cl 62a_100011218116_100000210760 [0,2,0,0,0,0|2,0,0]=4 20084 B13R1.893 CC(C)CSc1cc(ccc1F)F 62a_100000210624_100011219198 [0,2,0,0,0,0|2,0,0]=4 20085 B13R1.893 CC(C)CSc1cc(ccc1F)F 62a_100011219198_100000210760 [0,2,0,0,0,0|2,0,0]=4 20086 B13R1.893 CC(C)CSc1cc(ccc1F)N 62a_100000210624_100000760356 [0,2,0,0,0,0|2,0,0]=4 20087 B13R1.893 CC(C)CSc1cc(ccc1F)N 62a_100000760356_100000210760 [0,2,0,0,0,0|2,0,0]=4 20088 B13R1.893 CC(C)CSc1cc(ccc1F)O 62a_100000210624_100000693481 [0,2,0,0,0,0|2,0,0]=4 20089 B13R1.893 CC(C)CSc1cc(ccc1F)O 62a_100000693481_100000210760 [0,2,0,0,0,0|2,0,0]=4 20090 B13R1.893 CC(C)CSc1cc(ccc1N)Br 62a_100000187925_100000210760 [0,2,0,0,0,0|2,0,0]=4 20091 B13R1.893 CC(C)CSc1cc(ccc1N)Br 62a_100000210624_100000187925 [0,2,0,0,0,0|2,0,0]=4 20092 B13R1.893 CC(C)CSc1cc(ccc1N)Cl 62a_100000210624_100000761889 [0,2,0,0,0,0|2,0,0]=4 20093 B13R1.893 CC(C)CSc1cc(ccc1N)Cl 62a_100000761889_100000210760 [0,2,0,0,0,0|2,0,0]=4 20094 B13R1.893 CC(C)CSc1cc(ccc1N)F 62a_100000210624_100000760547 [0,2,0,0,0,0|2,0,0]=4 20095 B13R1.893 CC(C)CSc1cc(ccc1N)F 62a_100000760547_100000210760 [0,2,0,0,0,0|2,0,0]=4 20096 B13R1.893 CC(C)CSc1cc(ccc1N)N 62a_100000210624_100011534242 [0,2,0,0,0,0|2,0,0]=4 20097 B13R1.893 CC(C)CSc1cc(ccc1N)N 62a_100011534242_100000210760 [0,2,0,0,0,0|2,0,0]=4 20098 B13R1.893 CC(C)CSc1cc(ccc1N)O 62a_100000210624_100012001276 [0,2,0,0,0,0|2,0,0]=4 20099 B13R1.893 CC(C)CSc1cc(ccc1N)O 62a_100012001276_100000210760 [0,2,0,0,0,0|2,0,0]=4 20100 B13R1.893 CC(C)CSc1cc(ccc1O)Br 62a_100000210624_100012355227 [0,2,0,0,0,0|2,0,0]=4 20101 B13R1.893 CC(C)CSc1cc(ccc1O)Br 62a_100012355227_100000210760 [0,2,0,0,0,0|2,0,0]=4 20102 B13R1.893 CC(C)CSc1cc(ccc1O)Cl 62a_100000210624_100011356953 [0,2,0,0,0,0|2,0,0]=4 20103 B13R1.893 CC(C)CSc1cc(ccc1O)Cl 62a_100011356953_100000210760 [0,2,0,0,0,0|2,0,0]=4 20104 B13R1.893 CC(C)CSc1cc(ccc1O)F 62a_100000210624_100000211999 [0,2,0,0,0,0|2,0,0]=4 20105 B13R1.893 CC(C)CSc1cc(ccc1O)F 62a_100000211999_100000210760 [0,2,0,0,0,0|2,0,0]=4 20106 B13R1.893 CC(C)CSc1cc(ccc1O)N 62a_100000210624_100011534360 [0,2,0,0,0,0|2,0,0]=4 20107 B13R1.893 CC(C)CSc1cc(ccc1O)N 62a_100011534360_100000210760 [0,2,0,0,0,0|2,0,0]=4 20108 B13R1.893 CC(C)CSc1cc(ccc1O)O 62a_100000210624_100009813629 [0,2,0,0,0,0|2,0,0]=4 20109 B13R1.893 CC(C)NCc1cc(ccc1Br)Br 207a_100138425928_100011266429 [0,2,0,0,0,0|2,0,0]=4 20110 B13R1.893 CC(C)NCc1cc(ccc1Br)Br 2230a_100138425928_100011982794 [0,2,0,0,0,0|2,0,0]=4 20111 B13R1.893 CC(C)NCc1cc(ccc1Br)Br 34a_100000707832_100000210206 [0,2,0,0,0,0|2,0,0]=4 20112 B13R1.893 CC(C)NCc1cc(ccc1Br)Br 34a_100138425928_100011982794 [0,2,0,0,0,0|2,0,0]=4 20113 B13R1.893 CC(C)NCc1cc(ccc1Br)Cl 207a_100138425928_100000746314 [0,2,0,0,0,0|2,0,0]=4 20114 B13R1.893 CC(C)NCc1cc(ccc1Br)Cl 2230a_100138425928_100000733903 [0,2,0,0,0,0|2,0,0]=4 20115 B13R1.893 CC(C)NCc1cc(ccc1Br)Cl 34a_100138425928_100000733903 [0,2,0,0,0,0|2,0,0]=4 20116 B13R1.893 CC(C)NCc1cc(ccc1Br)F 207a_100138425928_100000766564 [0,2,0,0,0,0|2,0,0]=4 20117 B13R1.893 CC(C)NCc1cc(ccc1Br)F 2230a_100000742738_100000210206 [0,2,0,0,0,0|2,0,0]=4 20118 B13R1.893 CC(C)NCc1cc(ccc1Br)F 2230a_100138425928_100000736370 [0,2,0,0,0,0|2,0,0]=4 20119 B13R1.893 CC(C)NCc1cc(ccc1Br)F 34a_100000742738_100000210206 [0,2,0,0,0,0|2,0,0]=4 20120 B13R1.893 CC(C)NCc1cc(ccc1Br)F 34a_100138425928_100000736370 [0,2,0,0,0,0|2,0,0]=4 20121 B13R1.893 CC(C)NCc1cc(ccc1Br)I 207a_100138425928_100010185652 [0,2,0,0,0,0|2,0,0]=4 20122 B13R1.893 CC(C)NCc1cc(ccc1Br)I 2230a_100138425928_100012355412 [0,2,0,0,0,0|2,0,0]=4 20123 B13R1.893 CC(C)NCc1cc(ccc1Br)I 34a_100138425928_100012355412 [0,2,0,0,0,0|2,0,0]=4 20124 B13R1.893 CC(C)NCc1cc(ccc1Cl)Br 207a_100138425928_100000746309 [0,2,0,0,0,0|2,0,0]=4 20125 B13R1.893 CC(C)NCc1cc(ccc1Cl)Br 2230a_100138425928_100000763347 [0,2,0,0,0,0|2,0,0]=4 20126 B13R1.893 CC(C)NCc1cc(ccc1Cl)Br 34a_100025772652_100000210206 [0,2,0,0,0,0|2,0,0]=4 20127 B13R1.893 CC(C)NCc1cc(ccc1Cl)Br 34a_100138425928_100000763347 [0,2,0,0,0,0|2,0,0]=4 20128 B13R1.893 CC(C)NCc1cc(ccc1Cl)Cl 207a_100138425928_100000746308 [0,2,0,0,0,0|2,0,0]=4 20129 B13R1.893 CC(C)NCc1cc(ccc1Cl)Cl 2230a_100138425928_100000756322 [0,2,0,0,0,0|2,0,0]=4 20130 B13R1.893 CC(C)NCc1cc(ccc1Cl)Cl 34a_100102946428_100000210206 [0,2,0,0,0,0|2,0,0]=4 20131 B13R1.893 CC(C)NCc1cc(ccc1Cl)Cl 34a_100138425928_100000756322 [0,2,0,0,0,0|2,0,0]=4 20132 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 207a_100138425928_100011218309 [0,2,0,0,0,0|2,0,0]=4 20133 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 2230a_100011830483_100000210206 [0,2,0,0,0,0|2,0,0]=4 20134 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 2230a_100138425928_100000709952 [0,2,0,0,0,0|2,0,0]=4 20135 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 34a_100011830483_100000210206 [0,2,0,0,0,0|2,0,0]=4 20136 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 34a_100138425928_100000709952 [0,2,0,0,0,0|2,0,0]=4 20137 B13R1.893 CC(C)NCc1cc(ccc1Cl)I 207a_100138425928_100010254384 [0,2,0,0,0,0|2,0,0]=4 20138 B13R1.893 CC(C)NCc1cc(ccc1Cl)I 2230a_100138425928_100010188191 [0,2,0,0,0,0|2,0,0]=4 20139 B13R1.893 CC(C)NCc1cc(ccc1Cl)I 34a_100138425928_100010188191 [0,2,0,0,0,0|2,0,0]=4 20140 B13R1.893 CC(C)NCc1cc(ccc1F)Br 207a_100138425928_100000211465 [0,2,0,0,0,0|2,0,0]=4 20141 B13R1.893 CC(C)NCc1cc(ccc1F)Br 2230a_100138425928_100000736399 [0,2,0,0,0,0|2,0,0]=4 20142 B13R1.893 CC(C)NCc1cc(ccc1F)Br 34a_100009815772_100000210206 [0,2,0,0,0,0|2,0,0]=4 20143 B13R1.893 CC(C)NCc1cc(ccc1F)Br 34a_100138425928_100000736399 [0,2,0,0,0,0|2,0,0]=4 20144 B13R1.893 CC(C)NCc1cc(ccc1F)Cl 207a_100138425928_100000745245 [0,2,0,0,0,0|2,0,0]=4 20145 B13R1.893 CC(C)NCc1cc(ccc1F)Cl 2230a_100138425928_100000716957 [0,2,0,0,0,0|2,0,0]=4 20146 B13R1.893 CC(C)NCc1cc(ccc1F)Cl 34a_100011211646_100000210206 [0,2,0,0,0,0|2,0,0]=4 20147 B13R1.893 CC(C)NCc1cc(ccc1F)Cl 34a_100138425928_100000716957 [0,2,0,0,0,0|2,0,0]=4 20148 B13R1.893 CC(C)NCc1cc(ccc1F)F 207a_100138425928_100000740046 [0,2,0,0,0,0|2,0,0]=4 20149 B13R1.893 CC(C)NCc1cc(ccc1F)F 2230a_100138425928_100000741279 [0,2,0,0,0,0|2,0,0]=4 20150 B13R1.893 CC(C)NCc1cc(ccc1F)F 34a_100000752317_100000210206 [0,2,0,0,0,0|2,0,0]=4 20151 B13R1.893 CC(C)NCc1cc(ccc1F)F 34a_100138425928_100000741279 [0,2,0,0,0,0|2,0,0]=4 20152 B13R1.893 CC(C)NCc1cc(ccc1F)I 207a_100138425928_100000050626 [0,2,0,0,0,0|2,0,0]=4 20153 B13R1.893 CC(C)NCc1cc(ccc1F)I 2230a_100138425928_200010149601 [0,2,0,0,0,0|2,0,0]=4 20154 B13R1.893 CC(C)NCc1cc(ccc1F)I 34a_100138425928_200010149601 [0,2,0,0,0,0|2,0,0]=4 20155 B13R1.893 CC(C)NCc1cc(ccc1F)O 271570a_203496583355_100000195825 [0,2,0,0,0,0|2,0,0]=4 20156 B13R1.893 CC(C)NCc1cc(ccc1I)Br 207a_100138425928_100010185651 [0,2,0,0,0,0|2,0,0]=4 20157 B13R1.893 CC(C)NCc1cc(ccc1I)Br 2230a_100138425928_100012362523 [0,2,0,0,0,0|2,0,0]=4 20158 B13R1.893 CC(C)NCc1cc(ccc1I)Br 34a_100138425928_100012362523 [0,2,0,0,0,0|2,0,0]=4 20159 B13R1.893 CC(C)NCc1cc(ccc1I)Cl 207a_100138425928_100010254386 [0,2,0,0,0,0|2,0,0]=4 20160 B13R1.893 CC(C)NCc1cc(ccc1I)Cl 2230a_100138425928_100012348826 [0,2,0,0,0,0|2,0,0]=4 20161 B13R1.893 CC(C)NCc1cc(ccc1I)Cl 34a_100138425928_100012348826 [0,2,0,0,0,0|2,0,0]=4 20162 B13R1.893 CC(C)NCc1cc(ccc1I)F 207a_100138425928_100010186294 [0,2,0,0,0,0|2,0,0]=4 20163 B13R1.893 CC(C)NCc1cc(ccc1I)F 2230a_100138425928_100010149606 [0,2,0,0,0,0|2,0,0]=4 20164 B13R1.893 CC(C)NCc1cc(ccc1I)F 34a_100138425928_100010149606 [0,2,0,0,0,0|2,0,0]=4 20165 B13R1.893 CC(C)NCc1cc(ccc1O)Br 34a_100000730032_100000210206 [0,2,0,0,0,0|2,0,0]=4 20166 B13R1.893 CC(C)NCc1cc(ccc1O)Cl 34a_100000238540_100000210206 [0,2,0,0,0,0|2,0,0]=4 20167 B13R1.893 CC(C)NCc1cc(ccc1O)F 34a_100138425928_100010161318 [0,2,0,0,0,0|2,0,0]=4 20168 B13R1.893 CC(C)OCc1cc(ccc1Br)Br 34a_100000212225_100011982794 [0,2,0,0,0,0|2,0,0]=4 20169 B13R1.893 CC(C)OCc1cc(ccc1Br)Br 34a_100011266457_100000210206 [0,2,0,0,0,0|2,0,0]=4 20170 B13R1.893 CC(C)OCc1cc(ccc1Br)Br 7a_100011266457_100000210206 [0,2,0,0,0,0|2,0,0]=4 20171 B13R1.893 CC(C)OCc1cc(ccc1Br)Cl 34a_100000212225_100000733903 [0,2,0,0,0,0|2,0,0]=4 20172 B13R1.893 CC(C)OCc1cc(ccc1Br)Cl 34a_100012355668_100000210206 [0,2,0,0,0,0|2,0,0]=4 20173 B13R1.893 CC(C)OCc1cc(ccc1Br)Cl 7a_100012355668_100000210206 [0,2,0,0,0,0|2,0,0]=4 20174 B13R1.893 CC(C)OCc1cc(ccc1Br)F 34a_100000212225_100000736370 [0,2,0,0,0,0|2,0,0]=4 20175 B13R1.893 CC(C)OCc1cc(ccc1Br)F 34a_100011217561_100000210206 [0,2,0,0,0,0|2,0,0]=4 20176 B13R1.893 CC(C)OCc1cc(ccc1Br)F 7a_100011217561_100000210206 [0,2,0,0,0,0|2,0,0]=4 20177 B13R1.893 CC(C)OCc1cc(ccc1Br)I 34a_100000212225_100012355412 [0,2,0,0,0,0|2,0,0]=4 20178 B13R1.893 CC(C)OCc1cc(ccc1Br)I 7a_100012359683_100000210206 [0,2,0,0,0,0|2,0,0]=4 20179 B13R1.893 CC(C)OCc1cc(ccc1Br)N 34a_100012347228_100000210206 [0,2,0,0,0,0|2,0,0]=4 20180 B13R1.893 CC(C)OCc1cc(ccc1Cl)Br 34a_100000212225_100000763347 [0,2,0,0,0,0|2,0,0]=4 20181 B13R1.893 CC(C)OCc1cc(ccc1Cl)Br 34a_100011215897_100000210206 [0,2,0,0,0,0|2,0,0]=4 20182 B13R1.893 CC(C)OCc1cc(ccc1Cl)Br 7a_100011215897_100000210206 [0,2,0,0,0,0|2,0,0]=4 20183 B13R1.893 CC(C)OCc1cc(ccc1Cl)Cl 34a_100000212225_100000756322 [0,2,0,0,0,0|2,0,0]=4 20184 B13R1.893 CC(C)OCc1cc(ccc1Cl)Cl 34a_100000698905_100000210206 [0,2,0,0,0,0|2,0,0]=4 20185 B13R1.893 CC(C)OCc1cc(ccc1Cl)Cl 7a_100000698905_100000210206 [0,2,0,0,0,0|2,0,0]=4 20186 B13R1.893 CC(C)OCc1cc(ccc1Cl)F 34a_100000212225_100000709952 [0,2,0,0,0,0|2,0,0]=4 20187 B13R1.893 CC(C)OCc1cc(ccc1Cl)F 34a_100011218361_100000210206 [0,2,0,0,0,0|2,0,0]=4 20188 B13R1.893 CC(C)OCc1cc(ccc1Cl)F 7a_100011218361_100000210206 [0,2,0,0,0,0|2,0,0]=4 20189 B13R1.893 CC(C)OCc1cc(ccc1Cl)I 34a_100000212225_100010188191 [0,2,0,0,0,0|2,0,0]=4 20190 B13R1.893 CC(C)OCc1cc(ccc1Cl)I 34a_100010128486_100000210206 [0,2,0,0,0,0|2,0,0]=4 20191 B13R1.893 CC(C)OCc1cc(ccc1Cl)I 7a_100010128486_100000210206 [0,2,0,0,0,0|2,0,0]=4 20192 B13R1.893 CC(C)OCc1cc(ccc1Cl)N 34a_100011273577_100000210206 [0,2,0,0,0,0|2,0,0]=4 20193 B13R1.893 CC(C)OCc1cc(ccc1F)Br 34a_100000212225_100000736399 [0,2,0,0,0,0|2,0,0]=4 20194 B13R1.893 CC(C)OCc1cc(ccc1F)Br 34a_100000246282_100000210206 [0,2,0,0,0,0|2,0,0]=4 20195 B13R1.893 CC(C)OCc1cc(ccc1F)Br 7a_100000246282_100000210206 [0,2,0,0,0,0|2,0,0]=4 20196 B13R1.893 CC(C)OCc1cc(ccc1F)Cl 34a_100000212225_100000716957 [0,2,0,0,0,0|2,0,0]=4 20197 B13R1.893 CC(C)OCc1cc(ccc1F)Cl 34a_100011217248_100000210206 [0,2,0,0,0,0|2,0,0]=4 20198 B13R1.893 CC(C)OCc1cc(ccc1F)Cl 7a_100011217248_100000210206 [0,2,0,0,0,0|2,0,0]=4 20199 B13R1.893 CC(C)OCc1cc(ccc1F)F 34a_100000212225_100000741279 [0,2,0,0,0,0|2,0,0]=4 20200 B13R1.893 CC(C)OCc1cc(ccc1F)F 34a_100011217725_100000210206 [0,2,0,0,0,0|2,0,0]=4 20201 B13R1.893 CC(C)OCc1cc(ccc1F)F 7a_100011217725_100000210206 [0,2,0,0,0,0|2,0,0]=4 20202 B13R1.893 CC(C)OCc1cc(ccc1F)I 34a_100000049604_100000210206 [0,2,0,0,0,0|2,0,0]=4 20203 B13R1.893 CC(C)OCc1cc(ccc1F)I 34a_100000212225_200010149601 [0,2,0,0,0,0|2,0,0]=4 20204 B13R1.893 CC(C)OCc1cc(ccc1F)I 7a_100000049604_100000210206 [0,2,0,0,0,0|2,0,0]=4 20205 B13R1.893 CC(C)OCc1cc(ccc1F)N 34a_100011218011_100000210206 [0,2,0,0,0,0|2,0,0]=4 20206 B13R1.893 CC(C)OCc1cc(ccc1I)Br 34a_100000212225_100012362523 [0,2,0,0,0,0|2,0,0]=4 20207 B13R1.893 CC(C)OCc1cc(ccc1I)Br 34a_100011356890_100000210206 [0,2,0,0,0,0|2,0,0]=4 20208 B13R1.893 CC(C)OCc1cc(ccc1I)Br 7a_100011356890_100000210206 [0,2,0,0,0,0|2,0,0]=4 20209 B13R1.893 CC(C)OCc1cc(ccc1I)Cl 34a_100000212225_100012348826 [0,2,0,0,0,0|2,0,0]=4 20210 B13R1.893 CC(C)OCc1cc(ccc1I)F 34a_100000212225_100010149606 [0,2,0,0,0,0|2,0,0]=4 20211 B13R1.893 CC(C)OCc1cc(ccc1I)F 34a_100010255287_100000210206 [0,2,0,0,0,0|2,0,0]=4 20212 B13R1.893 CC(C)OCc1cc(ccc1I)F 7a_100010255287_100000210206 [0,2,0,0,0,0|2,0,0]=4 20213 B13R1.893 CC(C)OCc1cc(ccc1N)Br 34a_100012353972_100000210206 [0,2,0,0,0,0|2,0,0]=4 20214 B13R1.893 CC(C)OCc1cc(ccc1N)Br 7a_100012353972_100000210206 [0,2,0,0,0,0|2,0,0]=4 20215 B13R1.893 CC(C)OCc1cc(ccc1N)Cl 34a_100011214999_100000210206 [0,2,0,0,0,0|2,0,0]=4 20216 B13R1.893 CC(C)OCc1cc(ccc1N)Cl 7a_100011214999_100000210206 [0,2,0,0,0,0|2,0,0]=4 20217 B13R1.893 CC(C)OCc1cc(ccc1N)F 34a_100011296978_100000210206 [0,2,0,0,0,0|2,0,0]=4 20218 B13R1.893 CC(C)OCc1cc(ccc1N)F 7a_100011296978_100000210206 [0,2,0,0,0,0|2,0,0]=4 20219 B13R1.893 CC(C)OCc1cc(ccc1O)F 34a_100000212225_100010161318 [0,2,0,0,0,0|2,0,0]=4 20220 B13R1.893 CC(C)SCc1cc(ccc1Br)Br 62a_100000210206_100011982794 [0,2,0,0,0,0|2,0,0]=4 20221 B13R1.893 CC(C)SCc1cc(ccc1Br)Br 62a_100011982794_100000210206 [0,2,0,0,0,0|2,0,0]=4 20222 B13R1.893 CC(C)SCc1cc(ccc1Br)Cl 62a_100000210206_100000733903 [0,2,0,0,0,0|2,0,0]=4 20223 B13R1.893 CC(C)SCc1cc(ccc1Br)Cl 62a_100000733903_100000210206 [0,2,0,0,0,0|2,0,0]=4 20224 B13R1.893 CC(C)SCc1cc(ccc1Br)F 62a_100000210206_100000736370 [0,2,0,0,0,0|2,0,0]=4 20225 B13R1.893 CC(C)SCc1cc(ccc1Br)F 62a_100000736370_100000210206 [0,2,0,0,0,0|2,0,0]=4 20226 B13R1.893 CC(C)SCc1cc(ccc1Br)I 62a_100000210206_100012355412 [0,2,0,0,0,0|2,0,0]=4 20227 B13R1.893 CC(C)SCc1cc(ccc1Br)I 62a_100012355412_100000210206 [0,2,0,0,0,0|2,0,0]=4 20228 B13R1.893 CC(C)SCc1cc(ccc1Cl)Br 62a_100000210206_100000763347 [0,2,0,0,0,0|2,0,0]=4 20229 B13R1.893 CC(C)SCc1cc(ccc1Cl)Br 62a_100000763347_100000210206 [0,2,0,0,0,0|2,0,0]=4 20230 B13R1.893 CC(C)SCc1cc(ccc1Cl)Cl 62a_100000210206_100000756322 [0,2,0,0,0,0|2,0,0]=4 20231 B13R1.893 CC(C)SCc1cc(ccc1Cl)Cl 62a_100000756322_100000210206 [0,2,0,0,0,0|2,0,0]=4 20232 B13R1.893 CC(C)SCc1cc(ccc1Cl)F 62a_100000210206_100000709952 [0,2,0,0,0,0|2,0,0]=4 20233 B13R1.893 CC(C)SCc1cc(ccc1Cl)F 62a_100000709952_100000210206 [0,2,0,0,0,0|2,0,0]=4 20234 B13R1.893 CC(C)SCc1cc(ccc1Cl)I 62a_100000210206_100010188191 [0,2,0,0,0,0|2,0,0]=4 20235 B13R1.893 CC(C)SCc1cc(ccc1Cl)I 62a_100010188191_100000210206 [0,2,0,0,0,0|2,0,0]=4 20236 B13R1.893 CC(C)SCc1cc(ccc1F)Br 62a_100000210206_100000736399 [0,2,0,0,0,0|2,0,0]=4 20237 B13R1.893 CC(C)SCc1cc(ccc1F)Br 62a_100000736399_100000210206 [0,2,0,0,0,0|2,0,0]=4 20238 B13R1.893 CC(C)SCc1cc(ccc1F)Cl 62a_100000210206_100000716957 [0,2,0,0,0,0|2,0,0]=4 20239 B13R1.893 CC(C)SCc1cc(ccc1F)Cl 62a_100000716957_100000210206 [0,2,0,0,0,0|2,0,0]=4 20240 B13R1.893 CC(C)SCc1cc(ccc1F)F 62a_100000210206_100000685659 [0,2,0,0,0,0|2,0,0]=4 20241 B13R1.893 CC(C)SCc1cc(ccc1F)F 62a_100000685659_100000210206 [0,2,0,0,0,0|2,0,0]=4 20242 B13R1.893 CC(C)SCc1cc(ccc1F)I 62a_100000210206_200010149601 [0,2,0,0,0,0|2,0,0]=4 20243 B13R1.893 CC(C)SCc1cc(ccc1F)I 62a_200010149601_100000210206 [0,2,0,0,0,0|2,0,0]=4 20244 B13R1.893 CC(C)SCc1cc(ccc1I)Br 62a_100000210206_100012362523 [0,2,0,0,0,0|2,0,0]=4 20245 B13R1.893 CC(C)SCc1cc(ccc1I)Br 62a_100012362523_100000210206 [0,2,0,0,0,0|2,0,0]=4 20246 B13R1.893 CC(C)SCc1cc(ccc1I)Cl 62a_100000210206_100012348826 [0,2,0,0,0,0|2,0,0]=4 20247 B13R1.893 CC(C)SCc1cc(ccc1I)Cl 62a_100012348826_100000210206 [0,2,0,0,0,0|2,0,0]=4 20248 B13R1.893 CC(C)SCc1cc(ccc1I)F 62a_100000210206_100010149606 [0,2,0,0,0,0|2,0,0]=4 20249 B13R1.893 CC(C)SCc1cc(ccc1I)F 62a_100010149606_100000210206 [0,2,0,0,0,0|2,0,0]=4 20250 B13R1.893 CC(C)SCc1cc(ccc1O)F 62a_100000210206_100010161318 [0,2,0,0,0,0|2,0,0]=4 20251 B13R1.893 CC(C)SCc1cc(ccc1O)F 62a_100010161318_100000210206 [0,2,0,0,0,0|2,0,0]=4 20252 B13R1.893 CC(O)C=Cc1cc(ccc1Br)Br 271570a_200011019289_100011483371 [0,2,0,0,0,0|0,0,2]=4 20253 B13R1.893 CC(O)C=Cc1cc(ccc1Br)Cl 271570a_200011019289_100012339723 [0,2,0,0,0,0|0,0,2]=4 20254 B13R1.893 CC(O)C=Cc1cc(ccc1Br)F 271570a_200011019289_100011217576 [0,2,0,0,0,0|0,0,2]=4 20255 B13R1.893 CC(O)C=Cc1cc(ccc1Br)N 271570a_200011019289_100000750459 [0,2,0,0,0,0|0,0,2]=4 20256 B13R1.893 CC(O)C=Cc1cc(ccc1Br)O 271570a_200011019289_100012339312 [0,2,0,0,0,0|0,0,2]=4 20257 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)Br 271570a_200011019289_100011772130 [0,2,0,0,0,0|0,0,2]=4 20258 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)Cl 271570a_200011019289_100000707729 [0,2,0,0,0,0|0,0,2]=4 20259 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)F 271570a_200011019289_100011217299 [0,2,0,0,0,0|0,0,2]=4 20260 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)N 271570a_200011019289_100012360549 [0,2,0,0,0,0|0,0,2]=4 20261 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)O 271570a_200011019289_100000049588 [0,2,0,0,0,0|0,0,2]=4 20262 B13R1.893 CC(O)C=Cc1cc(ccc1F)Br 271570a_200011019289_100011217312 [0,2,0,0,0,0|0,0,2]=4 20263 B13R1.893 CC(O)C=Cc1cc(ccc1F)Cl 271570a_200011019289_100011218116 [0,2,0,0,0,0|0,0,2]=4 20264 B13R1.893 CC(O)C=Cc1cc(ccc1F)F 271570a_200011019289_100000750033 [0,2,0,0,0,0|0,0,2]=4 20265 B13R1.893 CC(O)C=Cc1cc(ccc1F)N 271570a_200011019289_100000760356 [0,2,0,0,0,0|0,0,2]=4 20266 B13R1.893 CC(O)C=Cc1cc(ccc1F)O 271570a_200011019289_100000693481 [0,2,0,0,0,0|0,0,2]=4 20267 B13R1.893 CC(O)C=Cc1cc(ccc1N)Br 271570a_200011019289_100000187925 [0,2,0,0,0,0|0,0,2]=4 20268 B13R1.893 CC(O)C=Cc1cc(ccc1N)Cl 271570a_200011019289_100000761889 [0,2,0,0,0,0|0,0,2]=4 20269 B13R1.893 CC(O)C=Cc1cc(ccc1N)F 271570a_200011019289_100000760547 [0,2,0,0,0,0|0,0,2]=4 20270 B13R1.893 CC(O)C=Cc1cc(ccc1N)N 271570a_200011019289_100011534242 [0,2,0,0,0,0|0,0,2]=4 20271 B13R1.893 CC(O)C=Cc1cc(ccc1N)O 271570a_200011019289_100012001276 [0,2,0,0,0,0|0,0,2]=4 20272 B13R1.893 CC(O)C=Cc1cc(ccc1O)Br 271570a_200011019289_100012355227 [0,2,0,0,0,0|0,0,2]=4 20273 B13R1.893 CC(O)C=Cc1cc(ccc1O)Cl 271570a_200011019289_100011356953 [0,2,0,0,0,0|0,0,2]=4 20274 B13R1.893 CC(O)C=Cc1cc(ccc1O)F 271570a_200011019289_100000211999 [0,2,0,0,0,0|0,0,2]=4 20275 B13R1.893 CC(O)C=Cc1cc(ccc1O)N 271570a_200011019289_100011534360 [0,2,0,0,0,0|0,0,2]=4 20276 B13R1.893 CC(O)C=Cc1cc(ccc1O)O 271570a_200011019289_100009813629 [0,2,0,0,0,0|0,0,2]=4 20277 B13R1.893 CC(O)CNc1cc(ccc1Br)Br 34a_100000737762_100011218427 [0,2,0,0,0,0|1,0,0]=3 20278 B13R1.893 CC(O)CNc1cc(ccc1Br)Cl 34a_100000687073_100011218427 [0,2,0,0,0,0|1,0,0]=3 20279 B13R1.893 CC(O)CNc1cc(ccc1Br)F 34a_100000687223_100011218427 [0,2,0,0,0,0|1,0,0]=3 20280 B13R1.893 CC(O)CNc1cc(ccc1Br)O 34a_100011999798_100011218427 [0,2,0,0,0,0|1,0,0]=3 20281 B13R1.893 CC(O)CNc1cc(ccc1Cl)Br 34a_100000750497_100011218427 [0,2,0,0,0,0|1,0,0]=3 20282 B13R1.893 CC(O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100011218427 [0,2,0,0,0,0|1,0,0]=3 20283 B13R1.893 CC(O)CNc1cc(ccc1Cl)F 34a_100000751338_100011218427 [0,2,0,0,0,0|1,0,0]=3 20284 B13R1.893 CC(O)CNc1cc(ccc1Cl)I 34a_200000761891_100011218427 [0,2,0,0,0,0|1,0,0]=3 20285 B13R1.893 CC(O)CNc1cc(ccc1Cl)O 34a_100011934297_100011218427 [0,2,0,0,0,0|1,0,0]=3 20286 B13R1.893 CC(O)CNc1cc(ccc1F)Br 34a_100000740924_100011218427 [0,2,0,0,0,0|1,0,0]=3 20287 B13R1.893 CC(O)CNc1cc(ccc1F)Cl 34a_100000212115_100011218427 [0,2,0,0,0,0|1,0,0]=3 20288 B13R1.893 CC(O)CNc1cc(ccc1F)F 34a_100000210742_100011218427 [0,2,0,0,0,0|1,0,0]=3 20289 B13R1.893 CC(O)CNc1cc(ccc1F)I 34a_100011464823_100011218427 [0,2,0,0,0,0|1,0,0]=3 20290 B13R1.893 CC(O)CNc1cc(ccc1F)O 34a_100012017239_100011218427 [0,2,0,0,0,0|1,0,0]=3 20291 B13R1.893 CC(O)CNc1cc(ccc1I)Br 34a_100000743836_100011218427 [0,2,0,0,0,0|1,0,0]=3 20292 B13R1.893 CC(O)CNc1cc(ccc1I)Cl 34a_100000761886_100011218427 [0,2,0,0,0,0|1,0,0]=3 20293 B13R1.893 CC(O)CNc1cc(ccc1I)F 34a_100011218093_100011218427 [0,2,0,0,0,0|1,0,0]=3 20294 B13R1.893 CC(O)CNc1cc(ccc1O)Br 34a_100000752626_100011218427 [0,2,0,0,0,0|1,0,0]=3 20295 B13R1.893 CC(O)CNc1cc(ccc1O)Cl 34a_100000210500_100011218427 [0,2,0,0,0,0|1,0,0]=3 20296 B13R1.893 CC(O)CNc1cc(ccc1O)F 34a_100000759472_100011218427 [0,2,0,0,0,0|1,0,0]=3 20297 B13R1.893 CC(O)CNc1cc(cnc1F)Br 27a_100000210904_100010172738 [0,2,0,0,0,0|2,0,0]=4 20298 B13R1.893 CC(O)CNc1cc(cnc1F)Cl 27a_100000210904_100010188783 [0,2,0,0,0,0|2,0,0]=4 20299 B13R1.893 CC(O)CNc1cc(ncc1Br)Br 27a_100000210904_100010171693 [0,2,0,0,0,0|2,0,0]=4 20300 B13R1.893 CC(O)CNc1cc(ncc1Cl)F 27a_100000210904_100009892587 [0,2,0,0,0,0|2,0,0]=4 20301 B13R1.893 CC(O)CNc1cc(ncc1F)F 27a_100000210904_100010233071 [0,2,0,0,0,0|2,0,0]=4 20302 B13R1.893 CC(O)CNc1nc(ccc1F)F 27a_100000210904_100010997973 [0,2,0,0,0,0|2,0,0]=4 20303 B13R1.893 CC(O)CNc1nc(ccc1N)F 27a_100000210904_100009879877 [0,2,0,0,0,0|2,0,0]=4 20304 B13R1.893 CC(O)COc1cc(=O)[nH]cc1Cl 34a_100000069390_100011218427 [0,2,0,0,0,0|2,0,0]=4 20305 B13R1.893 CC(O)COc1cc(ccc1Br)Br 34a_100011220040_100011218427 [0,2,0,0,0,0|1,0,0]=3 20306 B13R1.893 CC(O)COc1cc(ccc1Br)Br 7a_100011220040_100011218427 [0,2,0,0,0,0|1,0,0]=3 20307 B13R1.893 CC(O)COc1cc(ccc1Br)Cl 34a_100012339455_100011218427 [0,2,0,0,0,0|1,0,0]=3 20308 B13R1.893 CC(O)COc1cc(ccc1Br)Cl 7a_100012339455_100011218427 [0,2,0,0,0,0|1,0,0]=3 20309 B13R1.893 CC(O)COc1cc(ccc1Br)F 34a_100000690578_100011218427 [0,2,0,0,0,0|1,0,0]=3 20310 B13R1.893 CC(O)COc1cc(ccc1Br)F 7a_100000690578_100011218427 [0,2,0,0,0,0|1,0,0]=3 20311 B13R1.893 CC(O)COc1cc(ccc1Br)I 34a_100012356990_100011218427 [0,2,0,0,0,0|1,0,0]=3 20312 B13R1.893 CC(O)COc1cc(ccc1Br)I 7a_100012356990_100011218427 [0,2,0,0,0,0|1,0,0]=3 20313 B13R1.893 CC(O)COc1cc(ccc1Cl)Br 34a_100000738945_100011218427 [0,2,0,0,0,0|1,0,0]=3 20314 B13R1.893 CC(O)COc1cc(ccc1Cl)Br 7a_100000738945_100011218427 [0,2,0,0,0,0|1,0,0]=3 20315 B13R1.893 CC(O)COc1cc(ccc1Cl)Cl 34a_100000211422_100011218427 [0,2,0,0,0,0|1,0,0]=3 20316 B13R1.893 CC(O)COc1cc(ccc1Cl)Cl 7a_100000211422_100011218427 [0,2,0,0,0,0|1,0,0]=3 20317 B13R1.893 CC(O)COc1cc(ccc1Cl)F 34a_100000692107_100011218427 [0,2,0,0,0,0|1,0,0]=3 20318 B13R1.893 CC(O)COc1cc(ccc1Cl)F 7a_100000692107_100011218427 [0,2,0,0,0,0|1,0,0]=3 20319 B13R1.893 CC(O)COc1cc(ccc1Cl)I 34a_100011356854_100011218427 [0,2,0,0,0,0|1,0,0]=3 20320 B13R1.893 CC(O)COc1cc(ccc1Cl)I 7a_100011356854_100011218427 [0,2,0,0,0,0|1,0,0]=3 20321 B13R1.893 CC(O)COc1cc(ccc1Cl)N 34a_100011934209_100011218427 [0,2,0,0,0,0|1,0,0]=3 20322 B13R1.893 CC(O)COc1cc(ccc1F)Br 34a_100000686035_100011218427 [0,2,0,0,0,0|1,0,0]=3 20323 B13R1.893 CC(O)COc1cc(ccc1F)Br 7a_100000686035_100011218427 [0,2,0,0,0,0|1,0,0]=3 20324 B13R1.893 CC(O)COc1cc(ccc1F)Cl 34a_100000757397_100011218427 [0,2,0,0,0,0|1,0,0]=3 20325 B13R1.893 CC(O)COc1cc(ccc1F)Cl 7a_100000757397_100011218427 [0,2,0,0,0,0|1,0,0]=3 20326 B13R1.893 CC(O)COc1cc(ccc1F)F 34a_100000752141_100011218427 [0,2,0,0,0,0|1,0,0]=3 20327 B13R1.893 CC(O)COc1cc(ccc1F)F 7a_100000752141_100011218427 [0,2,0,0,0,0|1,0,0]=3 20328 B13R1.893 CC(O)COc1cc(ccc1F)I 34a_100009958187_100011218427 [0,2,0,0,0,0|1,0,0]=3 20329 B13R1.893 CC(O)COc1cc(ccc1F)I 7a_100009958187_100011218427 [0,2,0,0,0,0|1,0,0]=3 20330 B13R1.893 CC(O)COc1cc(ccc1F)N 34a_100012017398_100011218427 [0,2,0,0,0,0|1,0,0]=3 20331 B13R1.893 CC(O)COc1cc(ccc1F)N 7a_100012017398_100011218427 [0,2,0,0,0,0|1,0,0]=3 20332 B13R1.893 CC(O)COc1cc(ccc1I)Br 34a_100012344904_100011218427 [0,2,0,0,0,0|1,0,0]=3 20333 B13R1.893 CC(O)COc1cc(ccc1I)Br 7a_100012344904_100011218427 [0,2,0,0,0,0|1,0,0]=3 20334 B13R1.893 CC(O)COc1cc(ccc1I)Cl 34a_100000050036_100011218427 [0,2,0,0,0,0|1,0,0]=3 20335 B13R1.893 CC(O)COc1cc(ccc1I)Cl 7a_100000050036_100011218427 [0,2,0,0,0,0|1,0,0]=3 20336 B13R1.893 CC(O)COc1cc(ccc1I)F 34a_100010084537_100011218427 [0,2,0,0,0,0|1,0,0]=3 20337 B13R1.893 CC(O)COc1cc(ccc1I)F 7a_100010084537_100011218427 [0,2,0,0,0,0|1,0,0]=3 20338 B13R1.893 CC(O)COc1cc(ccc1N)Br 34a_100000739049_100011218427 [0,2,0,0,0,0|1,0,0]=3 20339 B13R1.893 CC(O)COc1cc(ccc1N)Br 7a_100000739049_100011218427 [0,2,0,0,0,0|1,0,0]=3 20340 B13R1.893 CC(O)COc1cc(ccc1N)Cl 34a_100000185728_100011218427 [0,2,0,0,0,0|1,0,0]=3 20341 B13R1.893 CC(O)COc1cc(ccc1N)Cl 7a_100000185728_100011218427 [0,2,0,0,0,0|1,0,0]=3 20342 B13R1.893 CC(O)COc1cc(ccc1N)F 34a_100000753323_100011218427 [0,2,0,0,0,0|1,0,0]=3 20343 B13R1.893 CC(O)COc1cc(ccc1N)F 7a_100000753323_100011218427 [0,2,0,0,0,0|1,0,0]=3 20344 B13R1.893 CC(O)COc1cc(ccc1N)I 34a_100000057187_100011218427 [0,2,0,0,0,0|1,0,0]=3 20345 B13R1.893 CC(O)COc1cc(ccc1N)I 7a_100000057187_100011218427 [0,2,0,0,0,0|1,0,0]=3 20346 B13R1.893 CC(O)COc1cc(ccc1N)N 34a_100025717382_100011218427 [0,2,0,0,0,0|1,0,0]=3 20347 B13R1.893 CC(O)COc1cc(cnc1Br)Cl 34a_100000697010_100011218427 [0,2,0,0,0,0|2,0,0]=4 20348 B13R1.893 CC(O)COc1cc(cnc1Br)Cl 7a_100000697010_100011218427 [0,2,0,0,0,0|2,0,0]=4 20349 B13R1.893 CC(O)COc1cc(cnc1Br)F 34a_100009820119_100011218427 [0,2,0,0,0,0|2,0,0]=4 20350 B13R1.893 CC(O)COc1cc(cnc1Br)F 7a_100009820119_100011218427 [0,2,0,0,0,0|2,0,0]=4 20351 B13R1.893 CC(O)COc1cc(cnc1Cl)Br 34a_100012354860_100011218427 [0,2,0,0,0,0|2,0,0]=4 20352 B13R1.893 CC(O)COc1cc(cnc1Cl)Br 7a_100012354860_100011218427 [0,2,0,0,0,0|2,0,0]=4 20353 B13R1.893 CC(O)COc1cc(cnc1Cl)F 34a_100000079967_100011218427 [0,2,0,0,0,0|2,0,0]=4 20354 B13R1.893 CC(O)COc1cc(cnc1Cl)F 7a_100000079967_100011218427 [0,2,0,0,0,0|2,0,0]=4 20355 B13R1.893 CC(O)COc1cc(cnc1F)Br 34a_100009819871_100011218427 [0,2,0,0,0,0|2,0,0]=4 20356 B13R1.893 CC(O)COc1cc(cnc1F)Br 7a_100009819871_100011218427 [0,2,0,0,0,0|2,0,0]=4 20357 B13R1.893 CC(O)COc1cc(cnc1F)Cl 34a_100000094372_100011218427 [0,2,0,0,0,0|2,0,0]=4 20358 B13R1.893 CC(O)COc1cc(cnc1F)Cl 7a_100000094372_100011218427 [0,2,0,0,0,0|2,0,0]=4 20359 B13R1.893 CC(O)COc1cc(cnc1I)Br 34a_100010210634_100011218427 [0,2,0,0,0,0|2,0,0]=4 20360 B13R1.893 CC(O)COc1cc(cnc1I)Br 7a_100010210634_100011218427 [0,2,0,0,0,0|2,0,0]=4 20361 B13R1.893 CC(O)COc1cc(cnc1I)Cl 34a_100010233512_100011218427 [0,2,0,0,0,0|2,0,0]=4 20362 B13R1.893 CC(O)COc1cc(cnc1I)Cl 7a_100010233512_100011218427 [0,2,0,0,0,0|2,0,0]=4 20363 B13R1.893 CC(O)COc1cc(cnc1I)F 34a_100015624800_100011218427 [0,2,0,0,0,0|2,0,0]=4 20364 B13R1.893 CC(O)COc1cc(cnc1I)F 7a_100015624800_100011218427 [0,2,0,0,0,0|2,0,0]=4 20365 B13R1.893 CC(O)COc1cc(cnc1N)Br 34a_100009819042_100011218427 [0,2,0,0,0,0|2,0,0]=4 20366 B13R1.893 CC(O)COc1cc(cnc1N)Br 7a_100009819042_100011218427 [0,2,0,0,0,0|2,0,0]=4 20367 B13R1.893 CC(O)COc1cc(cnc1N)Cl 34a_100000123674_100011218427 [0,2,0,0,0,0|2,0,0]=4 20368 B13R1.893 CC(O)COc1cc(cnc1N)Cl 7a_100000123674_100011218427 [0,2,0,0,0,0|2,0,0]=4 20369 B13R1.893 CC(O)COc1cc(cnc1N)F 34a_100000094369_100011218427 [0,2,0,0,0,0|2,0,0]=4 20370 B13R1.893 CC(O)COc1cc(cnc1N)F 7a_100000094369_100011218427 [0,2,0,0,0,0|2,0,0]=4 20371 B13R1.893 CC(O)COc1cc(ncc1Br)Br 34a_100010235016_100011218427 [0,2,0,0,0,0|2,0,0]=4 20372 B13R1.893 CC(O)COc1cc(ncc1Br)Cl 34a_100010173860_100011218427 [0,2,0,0,0,0|2,0,0]=4 20373 B13R1.893 CC(O)COc1cc(ncc1Cl)Br 34a_100010173861_100011218427 [0,2,0,0,0,0|2,0,0]=4 20374 B13R1.893 CC(O)COc1cc(ncc1F)Br 34a_100009854642_100011218427 [0,2,0,0,0,0|2,0,0]=4 20375 B13R1.893 CC(O)COc1cc(ncc1F)Cl 34a_100009851168_100011218427 [0,2,0,0,0,0|2,0,0]=4 20376 B13R1.893 CC(O)COc1nc(ccc1F)Cl 34a_100010729010_100011218427 [0,2,0,0,0,0|2,0,0]=4 20377 B13R1.893 CC(O)CSc1cc(=O)[nH]cc1F 62a_100009817642_100011218427 [0,2,0,0,0,0|2,0,0]=4 20378 B13R1.893 CC(O)CSc1cc(=O)[nH]cc1F 62a_100011218427_100009817642 [0,2,0,0,0,0|2,0,0]=4 20379 B13R1.893 CC(O)CSc1cc(c[nH]c1=O)F 62a_100009817720_100011218427 [0,2,0,0,0,0|2,0,0]=4 20380 B13R1.893 CC(O)CSc1cc(c[nH]c1=O)F 62a_100011218427_100009817720 [0,2,0,0,0,0|2,0,0]=4 20381 B13R1.893 CC(O)CSc1cc(ccc1Br)Br 62a_100011218427_100011483371 [0,2,0,0,0,0|1,0,0]=3 20382 B13R1.893 CC(O)CSc1cc(ccc1Br)Br 62a_100011483371_100011218427 [0,2,0,0,0,0|1,0,0]=3 20383 B13R1.893 CC(O)CSc1cc(ccc1Br)Cl 62a_100011218427_100012339723 [0,2,0,0,0,0|1,0,0]=3 20384 B13R1.893 CC(O)CSc1cc(ccc1Br)Cl 62a_100012339723_100011218427 [0,2,0,0,0,0|1,0,0]=3 20385 B13R1.893 CC(O)CSc1cc(ccc1Br)F 62a_100011217576_100011218427 [0,2,0,0,0,0|1,0,0]=3 20386 B13R1.893 CC(O)CSc1cc(ccc1Br)F 62a_100011218427_100011217576 [0,2,0,0,0,0|1,0,0]=3 20387 B13R1.893 CC(O)CSc1cc(ccc1Br)N 62a_100000750459_100011218427 [0,2,0,0,0,0|1,0,0]=3 20388 B13R1.893 CC(O)CSc1cc(ccc1Br)N 62a_100011218427_100000750459 [0,2,0,0,0,0|1,0,0]=3 20389 B13R1.893 CC(O)CSc1cc(ccc1Br)O 62a_100011218427_100012339312 [0,2,0,0,0,0|1,0,0]=3 20390 B13R1.893 CC(O)CSc1cc(ccc1Br)O 62a_100012339312_100011218427 [0,2,0,0,0,0|1,0,0]=3 20391 B13R1.893 CC(O)CSc1cc(ccc1Cl)Br 62a_100011218427_100011772130 [0,2,0,0,0,0|1,0,0]=3 20392 B13R1.893 CC(O)CSc1cc(ccc1Cl)Br 62a_100011772130_100011218427 [0,2,0,0,0,0|1,0,0]=3 20393 B13R1.893 CC(O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100011218427 [0,2,0,0,0,0|1,0,0]=3 20394 B13R1.893 CC(O)CSc1cc(ccc1Cl)Cl 62a_100011218427_100000707729 [0,2,0,0,0,0|1,0,0]=3 20395 B13R1.893 CC(O)CSc1cc(ccc1Cl)F 62a_100011217299_100011218427 [0,2,0,0,0,0|1,0,0]=3 20396 B13R1.893 CC(O)CSc1cc(ccc1Cl)F 62a_100011218427_100011217299 [0,2,0,0,0,0|1,0,0]=3 20397 B13R1.893 CC(O)CSc1cc(ccc1Cl)N 62a_100011218427_100012360549 [0,2,0,0,0,0|1,0,0]=3 20398 B13R1.893 CC(O)CSc1cc(ccc1Cl)N 62a_100012360549_100011218427 [0,2,0,0,0,0|1,0,0]=3 20399 B13R1.893 CC(O)CSc1cc(ccc1Cl)O 62a_100000049588_100011218427 [0,2,0,0,0,0|1,0,0]=3 20400 B13R1.893 CC(O)CSc1cc(ccc1Cl)O 62a_100011218427_100000049588 [0,2,0,0,0,0|1,0,0]=3 20401 B13R1.893 CC(O)CSc1cc(ccc1F)Br 62a_100011217312_100011218427 [0,2,0,0,0,0|1,0,0]=3 20402 B13R1.893 CC(O)CSc1cc(ccc1F)Br 62a_100011218427_100011217312 [0,2,0,0,0,0|1,0,0]=3 20403 B13R1.893 CC(O)CSc1cc(ccc1F)Cl 62a_100011218116_100011218427 [0,2,0,0,0,0|1,0,0]=3 20404 B13R1.893 CC(O)CSc1cc(ccc1F)Cl 62a_100011218427_100011218116 [0,2,0,0,0,0|1,0,0]=3 20405 B13R1.893 CC(O)CSc1cc(ccc1F)F 62a_100011218427_100011219198 [0,2,0,0,0,0|1,0,0]=3 20406 B13R1.893 CC(O)CSc1cc(ccc1F)F 62a_100011219198_100011218427 [0,2,0,0,0,0|1,0,0]=3 20407 B13R1.893 CC(O)CSc1cc(ccc1F)N 62a_100000760356_100011218427 [0,2,0,0,0,0|1,0,0]=3 20408 B13R1.893 CC(O)CSc1cc(ccc1F)N 62a_100011218427_100000760356 [0,2,0,0,0,0|1,0,0]=3 20409 B13R1.893 CC(O)CSc1cc(ccc1F)O 62a_100000693481_100011218427 [0,2,0,0,0,0|1,0,0]=3 20410 B13R1.893 CC(O)CSc1cc(ccc1F)O 62a_100011218427_100000693481 [0,2,0,0,0,0|1,0,0]=3 20411 B13R1.893 CC(O)CSc1cc(ccc1N)Br 62a_100000187925_100011218427 [0,2,0,0,0,0|1,0,0]=3 20412 B13R1.893 CC(O)CSc1cc(ccc1N)Br 62a_100011218427_100000187925 [0,2,0,0,0,0|1,0,0]=3 20413 B13R1.893 CC(O)CSc1cc(ccc1N)Cl 62a_100000761889_100011218427 [0,2,0,0,0,0|1,0,0]=3 20414 B13R1.893 CC(O)CSc1cc(ccc1N)Cl 62a_100011218427_100000761889 [0,2,0,0,0,0|1,0,0]=3 20415 B13R1.893 CC(O)CSc1cc(ccc1N)F 62a_100000760547_100011218427 [0,2,0,0,0,0|1,0,0]=3 20416 B13R1.893 CC(O)CSc1cc(ccc1N)F 62a_100011218427_100000760547 [0,2,0,0,0,0|1,0,0]=3 20417 B13R1.893 CC(O)CSc1cc(ccc1N)N 62a_100011218427_100011534242 [0,2,0,0,0,0|1,0,0]=3 20418 B13R1.893 CC(O)CSc1cc(ccc1N)N 62a_100011534242_100011218427 [0,2,0,0,0,0|1,0,0]=3 20419 B13R1.893 CC(O)CSc1cc(ccc1N)O 62a_100011218427_100012001276 [0,2,0,0,0,0|1,0,0]=3 20420 B13R1.893 CC(O)CSc1cc(ccc1N)O 62a_100012001276_100011218427 [0,2,0,0,0,0|1,0,0]=3 20421 B13R1.893 CC(O)CSc1cc(ccc1O)Br 62a_100011218427_100012355227 [0,2,0,0,0,0|1,0,0]=3 20422 B13R1.893 CC(O)CSc1cc(ccc1O)Br 62a_100012355227_100011218427 [0,2,0,0,0,0|1,0,0]=3 20423 B13R1.893 CC(O)CSc1cc(ccc1O)Cl 62a_100011218427_100011356953 [0,2,0,0,0,0|1,0,0]=3 20424 B13R1.893 CC(O)CSc1cc(ccc1O)Cl 62a_100011356953_100011218427 [0,2,0,0,0,0|1,0,0]=3 20425 B13R1.893 CC(O)CSc1cc(ccc1O)F 62a_100000211999_100011218427 [0,2,0,0,0,0|1,0,0]=3 20426 B13R1.893 CC(O)CSc1cc(ccc1O)F 62a_100011218427_100000211999 [0,2,0,0,0,0|1,0,0]=3 20427 B13R1.893 CC(O)CSc1cc(ccc1O)N 62a_100011218427_100011534360 [0,2,0,0,0,0|1,0,0]=3 20428 B13R1.893 CC(O)CSc1cc(ccc1O)N 62a_100011534360_100011218427 [0,2,0,0,0,0|1,0,0]=3 20429 B13R1.893 CC(O)CSc1cc(ccc1O)O 62a_100011218427_100009813629 [0,2,0,0,0,0|1,0,0]=3 20430 B13R1.893 CC(O)CSc1cc(cnc1Br)N 62a_100010201102_100011218427 [0,2,0,0,0,0|2,0,0]=4 20431 B13R1.893 CC(O)CSc1cc(cnc1Br)N 62a_100011218427_100010201102 [0,2,0,0,0,0|2,0,0]=4 20432 B13R1.893 CC(O)CSc1cc(cnc1Cl)Br 62a_100009814771_100011218427 [0,2,0,0,0,0|2,0,0]=4 20433 B13R1.893 CC(O)CSc1cc(cnc1Cl)Br 62a_100011218427_100009814771 [0,2,0,0,0,0|2,0,0]=4 20434 B13R1.893 CC(O)CSc1cc(cnc1Cl)Cl 62a_100011218427_200000062399 [0,2,0,0,0,0|2,0,0]=4 20435 B13R1.893 CC(O)CSc1cc(cnc1Cl)Cl 62a_200000062399_100011218427 [0,2,0,0,0,0|2,0,0]=4 20436 B13R1.893 CC(O)CSc1cc(cnc1Cl)N 62a_100010253917_100011218427 [0,2,0,0,0,0|2,0,0]=4 20437 B13R1.893 CC(O)CSc1cc(cnc1Cl)N 62a_100011218427_100010253917 [0,2,0,0,0,0|2,0,0]=4 20438 B13R1.893 CC(O)CSc1cc(cnc1F)Br 62a_100010172738_100011218427 [0,2,0,0,0,0|2,0,0]=4 20439 B13R1.893 CC(O)CSc1cc(cnc1F)Br 62a_100011218427_100010172738 [0,2,0,0,0,0|2,0,0]=4 20440 B13R1.893 CC(O)CSc1cc(cnc1F)Cl 62a_100010188783_100011218427 [0,2,0,0,0,0|2,0,0]=4 20441 B13R1.893 CC(O)CSc1cc(cnc1F)Cl 62a_100011218427_100010188783 [0,2,0,0,0,0|2,0,0]=4 20442 B13R1.893 CC(O)CSc1cc(cnc1F)F 62a_100009820768_100011218427 [0,2,0,0,0,0|2,0,0]=4 20443 B13R1.893 CC(O)CSc1cc(cnc1F)F 62a_100011218427_100009820768 [0,2,0,0,0,0|2,0,0]=4 20444 B13R1.893 CC(O)CSc1cc(cnc1F)N 62a_100009840397_100011218427 [0,2,0,0,0,0|2,0,0]=4 20445 B13R1.893 CC(O)CSc1cc(cnc1F)N 62a_100011218427_100009840397 [0,2,0,0,0,0|2,0,0]=4 20446 B13R1.893 CC(O)CSc1cc(cnc1F)O 62a_100009817267_100011218427 [0,2,0,0,0,0|2,0,0]=4 20447 B13R1.893 CC(O)CSc1cc(cnc1F)O 62a_100011218427_100009817267 [0,2,0,0,0,0|2,0,0]=4 20448 B13R1.893 CC(O)CSc1cc(cnc1N)Br 62a_100000760472_100011218427 [0,2,0,0,0,0|2,0,0]=4 20449 B13R1.893 CC(O)CSc1cc(cnc1N)Br 62a_100011218427_100000760472 [0,2,0,0,0,0|2,0,0]=4 20450 B13R1.893 CC(O)CSc1cc(cnc1N)Cl 62a_100000050159_100011218427 [0,2,0,0,0,0|2,0,0]=4 20451 B13R1.893 CC(O)CSc1cc(cnc1N)Cl 62a_100011218427_100000050159 [0,2,0,0,0,0|2,0,0]=4 20452 B13R1.893 CC(O)CSc1cc(cnc1N)F 62a_100009814671_100011218427 [0,2,0,0,0,0|2,0,0]=4 20453 B13R1.893 CC(O)CSc1cc(cnc1N)F 62a_100011218427_100009814671 [0,2,0,0,0,0|2,0,0]=4 20454 B13R1.893 CC(O)CSc1cc(cnc1N)N 62a_100011218427_200011934315 [0,2,0,0,0,0|2,0,0]=4 20455 B13R1.893 CC(O)CSc1cc(cnc1N)N 62a_200011934315_100011218427 [0,2,0,0,0,0|2,0,0]=4 20456 B13R1.893 CC(O)CSc1cc(cnc1O)Br 62a_100010197142_100011218427 [0,2,0,0,0,0|2,0,0]=4 20457 B13R1.893 CC(O)CSc1cc(cnc1O)Br 62a_100011218427_100010197142 [0,2,0,0,0,0|2,0,0]=4 20458 B13R1.893 CC(O)CSc1cc(cnc1O)Cl 62a_100010188700_100011218427 [0,2,0,0,0,0|2,0,0]=4 20459 B13R1.893 CC(O)CSc1cc(cnc1O)Cl 62a_100011218427_100010188700 [0,2,0,0,0,0|2,0,0]=4 20460 B13R1.893 CC(O)CSc1cc(ncc1Br)Br 62a_100010171693_100011218427 [0,2,0,0,0,0|2,0,0]=4 20461 B13R1.893 CC(O)CSc1cc(ncc1Br)Br 62a_100011218427_100010171693 [0,2,0,0,0,0|2,0,0]=4 20462 B13R1.893 CC(O)CSc1cc(ncc1Br)Cl 62a_100009815598_100011218427 [0,2,0,0,0,0|2,0,0]=4 20463 B13R1.893 CC(O)CSc1cc(ncc1Br)Cl 62a_100011218427_100009815598 [0,2,0,0,0,0|2,0,0]=4 20464 B13R1.893 CC(O)CSc1cc(ncc1Cl)Br 62a_100010223331_100011218427 [0,2,0,0,0,0|2,0,0]=4 20465 B13R1.893 CC(O)CSc1cc(ncc1Cl)Br 62a_100011218427_100010223331 [0,2,0,0,0,0|2,0,0]=4 20466 B13R1.893 CC(O)CSc1cc(ncc1Cl)Cl 62a_100010172835_100011218427 [0,2,0,0,0,0|2,0,0]=4 20467 B13R1.893 CC(O)CSc1cc(ncc1Cl)Cl 62a_100011218427_100010172835 [0,2,0,0,0,0|2,0,0]=4 20468 B13R1.893 CC(O)CSc1cc(ncc1Cl)F 62a_100009892587_100011218427 [0,2,0,0,0,0|2,0,0]=4 20469 B13R1.893 CC(O)CSc1cc(ncc1Cl)F 62a_100011218427_100009892587 [0,2,0,0,0,0|2,0,0]=4 20470 B13R1.893 CC(O)CSc1cc(ncc1Cl)N 62a_100010134119_100011218427 [0,2,0,0,0,0|2,0,0]=4 20471 B13R1.893 CC(O)CSc1cc(ncc1Cl)N 62a_100011218427_100010134119 [0,2,0,0,0,0|2,0,0]=4 20472 B13R1.893 CC(O)CSc1cc(ncc1F)Br 62a_100010193852_100011218427 [0,2,0,0,0,0|2,0,0]=4 20473 B13R1.893 CC(O)CSc1cc(ncc1F)Br 62a_100011218427_100010193852 [0,2,0,0,0,0|2,0,0]=4 20474 B13R1.893 CC(O)CSc1cc(ncc1F)Cl 62a_100000708277_100011218427 [0,2,0,0,0,0|2,0,0]=4 20475 B13R1.893 CC(O)CSc1cc(ncc1F)Cl 62a_100011218427_100000708277 [0,2,0,0,0,0|2,0,0]=4 20476 B13R1.893 CC(O)CSc1cc(ncc1F)F 62a_100010233071_100011218427 [0,2,0,0,0,0|2,0,0]=4 20477 B13R1.893 CC(O)CSc1cc(ncc1F)F 62a_100011218427_100010233071 [0,2,0,0,0,0|2,0,0]=4 20478 B13R1.893 CC(O)CSc1cc(ncc1F)N 62a_100011218427_100015713587 [0,2,0,0,0,0|2,0,0]=4 20479 B13R1.893 CC(O)CSc1cc(ncc1F)N 62a_100015713587_100011218427 [0,2,0,0,0,0|2,0,0]=4 20480 B13R1.893 CC(O)CSc1cc(ncc1N)Cl 62a_100000050123_100011218427 [0,2,0,0,0,0|2,0,0]=4 20481 B13R1.893 CC(O)CSc1cc(ncc1N)Cl 62a_100011218427_100000050123 [0,2,0,0,0,0|2,0,0]=4 20482 B13R1.893 CC(O)CSc1cc(ncc1O)Cl 62a_100000698892_100011218427 [0,2,0,0,0,0|2,0,0]=4 20483 B13R1.893 CC(O)CSc1cc(ncc1O)Cl 62a_100011218427_100000698892 [0,2,0,0,0,0|2,0,0]=4 20484 B13R1.893 CC(O)CSc1cn(ccc1=O)C 62a_100010750718_100011218427 [0,2,0,0,0,0|2,0,0]=4 20485 B13R1.893 CC(O)CSc1cn(ccc1=O)C 62a_100011218427_100010750718 [0,2,0,0,0,0|2,0,0]=4 20486 B13R1.893 CC(O)CSc1nc(ccc1Br)N 62a_100010192275_100011218427 [0,2,0,0,0,0|2,0,0]=4 20487 B13R1.893 CC(O)CSc1nc(ccc1Br)N 62a_100011218427_100010192275 [0,2,0,0,0,0|2,0,0]=4 20488 B13R1.893 CC(O)CSc1nc(ccc1F)Cl 62a_100010136221_100011218427 [0,2,0,0,0,0|2,0,0]=4 20489 B13R1.893 CC(O)CSc1nc(ccc1F)Cl 62a_100011218427_100010136221 [0,2,0,0,0,0|2,0,0]=4 20490 B13R1.893 CC(O)CSc1nc(ccc1F)F 62a_100010997973_100011218427 [0,2,0,0,0,0|2,0,0]=4 20491 B13R1.893 CC(O)CSc1nc(ccc1F)F 62a_100011218427_100010997973 [0,2,0,0,0,0|2,0,0]=4 20492 B13R1.893 CC(O)CSc1nc(ccc1F)N 62a_100010892222_100011218427 [0,2,0,0,0,0|2,0,0]=4 20493 B13R1.893 CC(O)CSc1nc(ccc1F)N 62a_100011218427_100010892222 [0,2,0,0,0,0|2,0,0]=4 20494 B13R1.893 CC(O)CSc1nc(ccc1N)Br 62a_100010168765_100011218427 [0,2,0,0,0,0|2,0,0]=4 20495 B13R1.893 CC(O)CSc1nc(ccc1N)Br 62a_100011218427_100010168765 [0,2,0,0,0,0|2,0,0]=4 20496 B13R1.893 CC(O)CSc1nc(ccc1N)Cl 62a_100010233647_100011218427 [0,2,0,0,0,0|2,0,0]=4 20497 B13R1.893 CC(O)CSc1nc(ccc1N)Cl 62a_100011218427_100010233647 [0,2,0,0,0,0|2,0,0]=4 20498 B13R1.893 CC(O)CSc1nc(ccc1N)F 62a_100009879877_100011218427 [0,2,0,0,0,0|2,0,0]=4 20499 B13R1.893 CC(O)CSc1nc(ccc1N)F 62a_100011218427_100009879877 [0,2,0,0,0,0|2,0,0]=4 20500 B13R1.893 CC(O)CSc1nc(ccc1N)N 62a_100011218427_200009884323 [0,2,0,0,0,0|2,0,0]=4 20501 B13R1.893 CC(O)CSc1nc(ccc1N)N 62a_200009884323_100011218427 [0,2,0,0,0,0|2,0,0]=4 20502 B13R1.893 CC(O)CSc1nc(ccc1O)Br 62a_100010253912_100011218427 [0,2,0,0,0,0|2,0,0]=4 20503 B13R1.893 CC(O)CSc1nc(ccc1O)Br 62a_100011218427_100010253912 [0,2,0,0,0,0|2,0,0]=4 20504 B13R1.893 CC(O)CSc1nc(ccc1O)Cl 62a_100011218427_100000696390 [0,2,0,0,0,0|2,0,0]=4 20505 B13R1.893 CC(O)CSc1nc(ccc1O)F 62a_100010382442_100011218427 [0,2,0,0,0,0|2,0,0]=4 20506 B13R1.893 CC(O)CSc1nc(ccc1O)F 62a_100011218427_100010382442 [0,2,0,0,0,0|2,0,0]=4 20507 B13R1.893 CN(C)CCc1cc(ccc1F)F 2230a_100102631434_100011755056 [0,2,0,0,0,0|2,0,0]=4 20508 B13R1.893 CN(C)CCc1cc(ccc1F)F 269982a_100102631434_100011755056 [0,2,0,0,0,0|2,0,0]=4 20509 B13R1.893 C[C@@H](O)CNc1cc(ccc1Br)Br 34a_100000737762_100009817552 [0,2,0,0,0,0|1,0,0]=3 20510 B13R1.893 C[C@@H](O)CNc1cc(ccc1Br)Cl 34a_100000687073_100009817552 [0,2,0,0,0,0|1,0,0]=3 20511 B13R1.893 C[C@@H](O)CNc1cc(ccc1Br)F 34a_100000687223_100009817552 [0,2,0,0,0,0|1,0,0]=3 20512 B13R1.893 C[C@@H](O)CNc1cc(ccc1Br)O 34a_100011999798_100009817552 [0,2,0,0,0,0|1,0,0]=3 20513 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)Br 34a_100000750497_100009817552 [0,2,0,0,0,0|1,0,0]=3 20514 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100009817552 [0,2,0,0,0,0|1,0,0]=3 20515 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)F 34a_100000751338_100009817552 [0,2,0,0,0,0|1,0,0]=3 20516 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)I 34a_200000761891_100009817552 [0,2,0,0,0,0|1,0,0]=3 20517 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)O 34a_100011934297_100009817552 [0,2,0,0,0,0|1,0,0]=3 20518 B13R1.893 C[C@@H](O)CNc1cc(ccc1F)Br 34a_100000740924_100009817552 [0,2,0,0,0,0|1,0,0]=3 20519 B13R1.893 C[C@@H](O)CNc1cc(ccc1F)Cl 34a_100000212115_100009817552 [0,2,0,0,0,0|1,0,0]=3 20520 B13R1.893 C[C@@H](O)CNc1cc(ccc1F)F 34a_100000210742_100009817552 [0,2,0,0,0,0|1,0,0]=3 20521 B13R1.893 C[C@@H](O)CNc1cc(ccc1F)I 34a_100011464823_100009817552 [0,2,0,0,0,0|1,0,0]=3 20522 B13R1.893 C[C@@H](O)CNc1cc(ccc1F)O 34a_100012017239_100009817552 [0,2,0,0,0,0|1,0,0]=3 20523 B13R1.893 C[C@@H](O)CNc1cc(ccc1I)Br 34a_100000743836_100009817552 [0,2,0,0,0,0|1,0,0]=3 20524 B13R1.893 C[C@@H](O)CNc1cc(ccc1I)Cl 34a_100000761886_100009817552 [0,2,0,0,0,0|1,0,0]=3 20525 B13R1.893 C[C@@H](O)CNc1cc(ccc1I)F 34a_100011218093_100009817552 [0,2,0,0,0,0|1,0,0]=3 20526 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)Br 34a_100000752626_100009817552 [0,2,0,0,0,0|1,0,0]=3 20527 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)Cl 34a_100000210500_100009817552 [0,2,0,0,0,0|1,0,0]=3 20528 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)F 34a_100000759472_100009817552 [0,2,0,0,0,0|1,0,0]=3 20529 B13R1.893 C[C@@H](O)COc1cc(=O)[nH]cc1Cl 34a_100000069390_100009817552 [0,2,0,0,0,0|2,0,0]=4 20530 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)Br 34a_100011220040_100009817552 [0,2,0,0,0,0|1,0,0]=3 20531 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)Br 7a_100011220040_100009817552 [0,2,0,0,0,0|1,0,0]=3 20532 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)Cl 34a_100012339455_100009817552 [0,2,0,0,0,0|1,0,0]=3 20533 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)Cl 7a_100012339455_100009817552 [0,2,0,0,0,0|1,0,0]=3 20534 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)F 34a_100000690578_100009817552 [0,2,0,0,0,0|1,0,0]=3 20535 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)F 7a_100000690578_100009817552 [0,2,0,0,0,0|1,0,0]=3 20536 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)I 34a_100012356990_100009817552 [0,2,0,0,0,0|1,0,0]=3 20537 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)I 7a_100012356990_100009817552 [0,2,0,0,0,0|1,0,0]=3 20538 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Br 34a_100000738945_100009817552 [0,2,0,0,0,0|1,0,0]=3 20539 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Br 7a_100000738945_100009817552 [0,2,0,0,0,0|1,0,0]=3 20540 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Cl 34a_100000211422_100009817552 [0,2,0,0,0,0|1,0,0]=3 20541 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Cl 7a_100000211422_100009817552 [0,2,0,0,0,0|1,0,0]=3 20542 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)F 34a_100000692107_100009817552 [0,2,0,0,0,0|1,0,0]=3 20543 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)F 7a_100000692107_100009817552 [0,2,0,0,0,0|1,0,0]=3 20544 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)I 34a_100011356854_100009817552 [0,2,0,0,0,0|1,0,0]=3 20545 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)I 7a_100011356854_100009817552 [0,2,0,0,0,0|1,0,0]=3 20546 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)N 34a_100011934209_100009817552 [0,2,0,0,0,0|1,0,0]=3 20547 B13R1.893 C[C@@H](O)COc1cc(ccc1F)Br 34a_100000686035_100009817552 [0,2,0,0,0,0|1,0,0]=3 20548 B13R1.893 C[C@@H](O)COc1cc(ccc1F)Br 7a_100000686035_100009817552 [0,2,0,0,0,0|1,0,0]=3 20549 B13R1.893 C[C@@H](O)COc1cc(ccc1F)Cl 34a_100000757397_100009817552 [0,2,0,0,0,0|1,0,0]=3 20550 B13R1.893 C[C@@H](O)COc1cc(ccc1F)Cl 7a_100000757397_100009817552 [0,2,0,0,0,0|1,0,0]=3 20551 B13R1.893 C[C@@H](O)COc1cc(ccc1F)F 34a_100000752141_100009817552 [0,2,0,0,0,0|1,0,0]=3 20552 B13R1.893 C[C@@H](O)COc1cc(ccc1F)F 7a_100000752141_100009817552 [0,2,0,0,0,0|1,0,0]=3 20553 B13R1.893 C[C@@H](O)COc1cc(ccc1F)I 34a_100009958187_100009817552 [0,2,0,0,0,0|1,0,0]=3 20554 B13R1.893 C[C@@H](O)COc1cc(ccc1F)I 7a_100009958187_100009817552 [0,2,0,0,0,0|1,0,0]=3 20555 B13R1.893 C[C@@H](O)COc1cc(ccc1F)N 34a_100012017398_100009817552 [0,2,0,0,0,0|1,0,0]=3 20556 B13R1.893 C[C@@H](O)COc1cc(ccc1F)N 7a_100012017398_100009817552 [0,2,0,0,0,0|1,0,0]=3 20557 B13R1.893 C[C@@H](O)COc1cc(ccc1I)Br 34a_100012344904_100009817552 [0,2,0,0,0,0|1,0,0]=3 20558 B13R1.893 C[C@@H](O)COc1cc(ccc1I)Br 7a_100012344904_100009817552 [0,2,0,0,0,0|1,0,0]=3 20559 B13R1.893 C[C@@H](O)COc1cc(ccc1I)Cl 34a_100000050036_100009817552 [0,2,0,0,0,0|1,0,0]=3 20560 B13R1.893 C[C@@H](O)COc1cc(ccc1I)Cl 7a_100000050036_100009817552 [0,2,0,0,0,0|1,0,0]=3 20561 B13R1.893 C[C@@H](O)COc1cc(ccc1I)F 34a_100010084537_100009817552 [0,2,0,0,0,0|1,0,0]=3 20562 B13R1.893 C[C@@H](O)COc1cc(ccc1I)F 7a_100010084537_100009817552 [0,2,0,0,0,0|1,0,0]=3 20563 B13R1.893 C[C@@H](O)COc1cc(ccc1N)Br 34a_100000739049_100009817552 [0,2,0,0,0,0|1,0,0]=3 20564 B13R1.893 C[C@@H](O)COc1cc(ccc1N)Br 7a_100000739049_100009817552 [0,2,0,0,0,0|1,0,0]=3 20565 B13R1.893 C[C@@H](O)COc1cc(ccc1N)Cl 34a_100000185728_100009817552 [0,2,0,0,0,0|1,0,0]=3 20566 B13R1.893 C[C@@H](O)COc1cc(ccc1N)Cl 7a_100000185728_100009817552 [0,2,0,0,0,0|1,0,0]=3 20567 B13R1.893 C[C@@H](O)COc1cc(ccc1N)F 34a_100000753323_100009817552 [0,2,0,0,0,0|1,0,0]=3 20568 B13R1.893 C[C@@H](O)COc1cc(ccc1N)F 7a_100000753323_100009817552 [0,2,0,0,0,0|1,0,0]=3 20569 B13R1.893 C[C@@H](O)COc1cc(ccc1N)I 34a_100000057187_100009817552 [0,2,0,0,0,0|1,0,0]=3 20570 B13R1.893 C[C@@H](O)COc1cc(ccc1N)I 7a_100000057187_100009817552 [0,2,0,0,0,0|1,0,0]=3 20571 B13R1.893 C[C@@H](O)COc1cc(ccc1N)N 34a_100025717382_100009817552 [0,2,0,0,0,0|1,0,0]=3 20572 B13R1.893 C[C@@H](O)COc1cc(cnc1Br)Cl 34a_100000697010_100009817552 [0,2,0,0,0,0|2,0,0]=4 20573 B13R1.893 C[C@@H](O)COc1cc(cnc1Br)Cl 7a_100000697010_100009817552 [0,2,0,0,0,0|2,0,0]=4 20574 B13R1.893 C[C@@H](O)COc1cc(cnc1Br)F 34a_100009820119_100009817552 [0,2,0,0,0,0|2,0,0]=4 20575 B13R1.893 C[C@@H](O)COc1cc(cnc1Br)F 7a_100009820119_100009817552 [0,2,0,0,0,0|2,0,0]=4 20576 B13R1.893 C[C@@H](O)COc1cc(cnc1Cl)Br 34a_100012354860_100009817552 [0,2,0,0,0,0|2,0,0]=4 20577 B13R1.893 C[C@@H](O)COc1cc(cnc1Cl)Br 7a_100012354860_100009817552 [0,2,0,0,0,0|2,0,0]=4 20578 B13R1.893 C[C@@H](O)COc1cc(cnc1Cl)F 34a_100000079967_100009817552 [0,2,0,0,0,0|2,0,0]=4 20579 B13R1.893 C[C@@H](O)COc1cc(cnc1Cl)F 7a_100000079967_100009817552 [0,2,0,0,0,0|2,0,0]=4 20580 B13R1.893 C[C@@H](O)COc1cc(cnc1F)Br 34a_100009819871_100009817552 [0,2,0,0,0,0|2,0,0]=4 20581 B13R1.893 C[C@@H](O)COc1cc(cnc1F)Br 7a_100009819871_100009817552 [0,2,0,0,0,0|2,0,0]=4 20582 B13R1.893 C[C@@H](O)COc1cc(cnc1F)Cl 34a_100000094372_100009817552 [0,2,0,0,0,0|2,0,0]=4 20583 B13R1.893 C[C@@H](O)COc1cc(cnc1F)Cl 7a_100000094372_100009817552 [0,2,0,0,0,0|2,0,0]=4 20584 B13R1.893 C[C@@H](O)COc1cc(cnc1I)Br 34a_100010210634_100009817552 [0,2,0,0,0,0|2,0,0]=4 20585 B13R1.893 C[C@@H](O)COc1cc(cnc1I)Br 7a_100010210634_100009817552 [0,2,0,0,0,0|2,0,0]=4 20586 B13R1.893 C[C@@H](O)COc1cc(cnc1I)Cl 34a_100010233512_100009817552 [0,2,0,0,0,0|2,0,0]=4 20587 B13R1.893 C[C@@H](O)COc1cc(cnc1I)Cl 7a_100010233512_100009817552 [0,2,0,0,0,0|2,0,0]=4 20588 B13R1.893 C[C@@H](O)COc1cc(cnc1I)F 34a_100015624800_100009817552 [0,2,0,0,0,0|2,0,0]=4 20589 B13R1.893 C[C@@H](O)COc1cc(cnc1I)F 7a_100015624800_100009817552 [0,2,0,0,0,0|2,0,0]=4 20590 B13R1.893 C[C@@H](O)COc1cc(cnc1N)Br 34a_100009819042_100009817552 [0,2,0,0,0,0|2,0,0]=4 20591 B13R1.893 C[C@@H](O)COc1cc(cnc1N)Br 7a_100009819042_100009817552 [0,2,0,0,0,0|2,0,0]=4 20592 B13R1.893 C[C@@H](O)COc1cc(cnc1N)Cl 34a_100000123674_100009817552 [0,2,0,0,0,0|2,0,0]=4 20593 B13R1.893 C[C@@H](O)COc1cc(cnc1N)Cl 7a_100000123674_100009817552 [0,2,0,0,0,0|2,0,0]=4 20594 B13R1.893 C[C@@H](O)COc1cc(cnc1N)F 34a_100000094369_100009817552 [0,2,0,0,0,0|2,0,0]=4 20595 B13R1.893 C[C@@H](O)COc1cc(cnc1N)F 7a_100000094369_100009817552 [0,2,0,0,0,0|2,0,0]=4 20596 B13R1.893 C[C@@H](O)COc1cc(ncc1Br)Br 34a_100010235016_100009817552 [0,2,0,0,0,0|2,0,0]=4 20597 B13R1.893 C[C@@H](O)COc1cc(ncc1Br)Cl 34a_100010173860_100009817552 [0,2,0,0,0,0|2,0,0]=4 20598 B13R1.893 C[C@@H](O)COc1cc(ncc1Cl)Br 34a_100010173861_100009817552 [0,2,0,0,0,0|2,0,0]=4 20599 B13R1.893 C[C@@H](O)COc1cc(ncc1F)Br 34a_100009854642_100009817552 [0,2,0,0,0,0|2,0,0]=4 20600 B13R1.893 C[C@@H](O)COc1cc(ncc1F)Cl 34a_100009851168_100009817552 [0,2,0,0,0,0|2,0,0]=4 20601 B13R1.893 C[C@@H](O)COc1nc(ccc1F)Cl 34a_100010729010_100009817552 [0,2,0,0,0,0|2,0,0]=4 20602 B13R1.893 C[C@@H](O)CSc1cc(=O)[nH]cc1F 62a_100009817552_100009817642 [0,2,0,0,0,0|2,0,0]=4 20603 B13R1.893 C[C@@H](O)CSc1cc(=O)[nH]cc1F 62a_100009817642_100009817552 [0,2,0,0,0,0|2,0,0]=4 20604 B13R1.893 C[C@@H](O)CSc1cc(c[nH]c1=O)F 62a_100009817552_100009817720 [0,2,0,0,0,0|2,0,0]=4 20605 B13R1.893 C[C@@H](O)CSc1cc(c[nH]c1=O)F 62a_100009817720_100009817552 [0,2,0,0,0,0|2,0,0]=4 20606 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)Br 62a_100009817552_100011483371 [0,2,0,0,0,0|1,0,0]=3 20607 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)Br 62a_100011483371_100009817552 [0,2,0,0,0,0|1,0,0]=3 20608 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)Cl 62a_100009817552_100012339723 [0,2,0,0,0,0|1,0,0]=3 20609 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)Cl 62a_100012339723_100009817552 [0,2,0,0,0,0|1,0,0]=3 20610 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)F 62a_100009817552_100011217576 [0,2,0,0,0,0|1,0,0]=3 20611 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)F 62a_100011217576_100009817552 [0,2,0,0,0,0|1,0,0]=3 20612 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)N 62a_100000750459_100009817552 [0,2,0,0,0,0|1,0,0]=3 20613 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)N 62a_100009817552_100000750459 [0,2,0,0,0,0|1,0,0]=3 20614 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)O 62a_100009817552_100012339312 [0,2,0,0,0,0|1,0,0]=3 20615 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)O 62a_100012339312_100009817552 [0,2,0,0,0,0|1,0,0]=3 20616 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)Br 62a_100009817552_100011772130 [0,2,0,0,0,0|1,0,0]=3 20617 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)Br 62a_100011772130_100009817552 [0,2,0,0,0,0|1,0,0]=3 20618 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100009817552 [0,2,0,0,0,0|1,0,0]=3 20619 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)Cl 62a_100009817552_100000707729 [0,2,0,0,0,0|1,0,0]=3 20620 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)F 62a_100009817552_100011217299 [0,2,0,0,0,0|1,0,0]=3 20621 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)F 62a_100011217299_100009817552 [0,2,0,0,0,0|1,0,0]=3 20622 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)N 62a_100009817552_100012360549 [0,2,0,0,0,0|1,0,0]=3 20623 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)N 62a_100012360549_100009817552 [0,2,0,0,0,0|1,0,0]=3 20624 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)O 62a_100000049588_100009817552 [0,2,0,0,0,0|1,0,0]=3 20625 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)O 62a_100009817552_100000049588 [0,2,0,0,0,0|1,0,0]=3 20626 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)Br 62a_100009817552_100011217312 [0,2,0,0,0,0|1,0,0]=3 20627 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)Br 62a_100011217312_100009817552 [0,2,0,0,0,0|1,0,0]=3 20628 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)Cl 62a_100009817552_100011218116 [0,2,0,0,0,0|1,0,0]=3 20629 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)Cl 62a_100011218116_100009817552 [0,2,0,0,0,0|1,0,0]=3 20630 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)F 62a_100009817552_100011219198 [0,2,0,0,0,0|1,0,0]=3 20631 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)F 62a_100011219198_100009817552 [0,2,0,0,0,0|1,0,0]=3 20632 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)N 62a_100000760356_100009817552 [0,2,0,0,0,0|1,0,0]=3 20633 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)N 62a_100009817552_100000760356 [0,2,0,0,0,0|1,0,0]=3 20634 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)O 62a_100000693481_100009817552 [0,2,0,0,0,0|1,0,0]=3 20635 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)O 62a_100009817552_100000693481 [0,2,0,0,0,0|1,0,0]=3 20636 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)Br 62a_100000187925_100009817552 [0,2,0,0,0,0|1,0,0]=3 20637 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)Br 62a_100009817552_100000187925 [0,2,0,0,0,0|1,0,0]=3 20638 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)Cl 62a_100000761889_100009817552 [0,2,0,0,0,0|1,0,0]=3 20639 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)Cl 62a_100009817552_100000761889 [0,2,0,0,0,0|1,0,0]=3 20640 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)F 62a_100000760547_100009817552 [0,2,0,0,0,0|1,0,0]=3 20641 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)F 62a_100009817552_100000760547 [0,2,0,0,0,0|1,0,0]=3 20642 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)N 62a_100009817552_100011534242 [0,2,0,0,0,0|1,0,0]=3 20643 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)N 62a_100011534242_100009817552 [0,2,0,0,0,0|1,0,0]=3 20644 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)O 62a_100009817552_100012001276 [0,2,0,0,0,0|1,0,0]=3 20645 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)O 62a_100012001276_100009817552 [0,2,0,0,0,0|1,0,0]=3 20646 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)Br 62a_100009817552_100012355227 [0,2,0,0,0,0|1,0,0]=3 20647 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)Br 62a_100012355227_100009817552 [0,2,0,0,0,0|1,0,0]=3 20648 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)Cl 62a_100009817552_100011356953 [0,2,0,0,0,0|1,0,0]=3 20649 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)Cl 62a_100011356953_100009817552 [0,2,0,0,0,0|1,0,0]=3 20650 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)F 62a_100000211999_100009817552 [0,2,0,0,0,0|1,0,0]=3 20651 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)F 62a_100009817552_100000211999 [0,2,0,0,0,0|1,0,0]=3 20652 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)N 62a_100009817552_100011534360 [0,2,0,0,0,0|1,0,0]=3 20653 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)N 62a_100011534360_100009817552 [0,2,0,0,0,0|1,0,0]=3 20654 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)O 62a_100009817552_100009813629 [0,2,0,0,0,0|1,0,0]=3 20655 B13R1.893 C[C@@H](O)CSc1cc(cnc1Br)N 62a_100009817552_100010201102 [0,2,0,0,0,0|2,0,0]=4 20656 B13R1.893 C[C@@H](O)CSc1cc(cnc1Br)N 62a_100010201102_100009817552 [0,2,0,0,0,0|2,0,0]=4 20657 B13R1.893 C[C@@H](O)CSc1cc(cnc1Cl)Br 62a_100009814771_100009817552 [0,2,0,0,0,0|2,0,0]=4 20658 B13R1.893 C[C@@H](O)CSc1cc(cnc1Cl)Br 62a_100009817552_100009814771 [0,2,0,0,0,0|2,0,0]=4 20659 B13R1.893 C[C@@H](O)CSc1cc(cnc1Cl)Cl 62a_100009817552_200000062399 [0,2,0,0,0,0|2,0,0]=4 20660 B13R1.893 C[C@@H](O)CSc1cc(cnc1Cl)Cl 62a_200000062399_100009817552 [0,2,0,0,0,0|2,0,0]=4 20661 B13R1.893 C[C@@H](O)CSc1cc(cnc1Cl)N 62a_100009817552_100010253917 [0,2,0,0,0,0|2,0,0]=4 20662 B13R1.893 C[C@@H](O)CSc1cc(cnc1Cl)N 62a_100010253917_100009817552 [0,2,0,0,0,0|2,0,0]=4 20663 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)Br 62a_100009817552_100010172738 [0,2,0,0,0,0|2,0,0]=4 20664 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)Br 62a_100010172738_100009817552 [0,2,0,0,0,0|2,0,0]=4 20665 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)Cl 62a_100009817552_100010188783 [0,2,0,0,0,0|2,0,0]=4 20666 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)Cl 62a_100010188783_100009817552 [0,2,0,0,0,0|2,0,0]=4 20667 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)F 62a_100009817552_100009820768 [0,2,0,0,0,0|2,0,0]=4 20668 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)F 62a_100009820768_100009817552 [0,2,0,0,0,0|2,0,0]=4 20669 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)N 62a_100009817552_100009840397 [0,2,0,0,0,0|2,0,0]=4 20670 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)N 62a_100009840397_100009817552 [0,2,0,0,0,0|2,0,0]=4 20671 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)O 62a_100009817267_100009817552 [0,2,0,0,0,0|2,0,0]=4 20672 B13R1.893 C[C@@H](O)CSc1cc(cnc1F)O 62a_100009817552_100009817267 [0,2,0,0,0,0|2,0,0]=4 20673 B13R1.893 C[C@@H](O)CSc1cc(cnc1N)Br 62a_100000760472_100009817552 [0,2,0,0,0,0|2,0,0]=4 20674 B13R1.893 C[C@@H](O)CSc1cc(cnc1N)Br 62a_100009817552_100000760472 [0,2,0,0,0,0|2,0,0]=4 20675 B13R1.893 C[C@@H](O)CSc1cc(cnc1N)Cl 62a_100000050159_100009817552 [0,2,0,0,0,0|2,0,0]=4 20676 B13R1.893 C[C@@H](O)CSc1cc(cnc1N)Cl 62a_100009817552_100000050159 [0,2,0,0,0,0|2,0,0]=4 20677 B13R1.893 C[C@@H](O)CSc1cc(cnc1N)F 62a_100009814671_100009817552 [0,2,0,0,0,0|2,0,0]=4 20678 B13R1.893 C[C@@H](O)CSc1cc(cnc1N)F 62a_100009817552_100009814671 [0,2,0,0,0,0|2,0,0]=4 20679 B13R1.893 C[C@@H](O)CSc1cc(cnc1N)N 62a_100009817552_200011934315 [0,2,0,0,0,0|2,0,0]=4 20680 B13R1.893 C[C@@H](O)CSc1cc(cnc1N)N 62a_200011934315_100009817552 [0,2,0,0,0,0|2,0,0]=4 20681 B13R1.893 C[C@@H](O)CSc1cc(cnc1O)Br 62a_100009817552_100010197142 [0,2,0,0,0,0|2,0,0]=4 20682 B13R1.893 C[C@@H](O)CSc1cc(cnc1O)Br 62a_100010197142_100009817552 [0,2,0,0,0,0|2,0,0]=4 20683 B13R1.893 C[C@@H](O)CSc1cc(cnc1O)Cl 62a_100009817552_100010188700 [0,2,0,0,0,0|2,0,0]=4 20684 B13R1.893 C[C@@H](O)CSc1cc(cnc1O)Cl 62a_100010188700_100009817552 [0,2,0,0,0,0|2,0,0]=4 20685 B13R1.893 C[C@@H](O)CSc1cc(ncc1Br)Br 62a_100009817552_100010171693 [0,2,0,0,0,0|2,0,0]=4 20686 B13R1.893 C[C@@H](O)CSc1cc(ncc1Br)Br 62a_100010171693_100009817552 [0,2,0,0,0,0|2,0,0]=4 20687 B13R1.893 C[C@@H](O)CSc1cc(ncc1Br)Cl 62a_100009815598_100009817552 [0,2,0,0,0,0|2,0,0]=4 20688 B13R1.893 C[C@@H](O)CSc1cc(ncc1Br)Cl 62a_100009817552_100009815598 [0,2,0,0,0,0|2,0,0]=4 20689 B13R1.893 C[C@@H](O)CSc1cc(ncc1Cl)Br 62a_100009817552_100010223331 [0,2,0,0,0,0|2,0,0]=4 20690 B13R1.893 C[C@@H](O)CSc1cc(ncc1Cl)Br 62a_100010223331_100009817552 [0,2,0,0,0,0|2,0,0]=4 20691 B13R1.893 C[C@@H](O)CSc1cc(ncc1Cl)Cl 62a_100009817552_100010172835 [0,2,0,0,0,0|2,0,0]=4 20692 B13R1.893 C[C@@H](O)CSc1cc(ncc1Cl)Cl 62a_100010172835_100009817552 [0,2,0,0,0,0|2,0,0]=4 20693 B13R1.893 C[C@@H](O)CSc1cc(ncc1Cl)F 62a_100009817552_100009892587 [0,2,0,0,0,0|2,0,0]=4 20694 B13R1.893 C[C@@H](O)CSc1cc(ncc1Cl)F 62a_100009892587_100009817552 [0,2,0,0,0,0|2,0,0]=4 20695 B13R1.893 C[C@@H](O)CSc1cc(ncc1Cl)N 62a_100009817552_100010134119 [0,2,0,0,0,0|2,0,0]=4 20696 B13R1.893 C[C@@H](O)CSc1cc(ncc1Cl)N 62a_100010134119_100009817552 [0,2,0,0,0,0|2,0,0]=4 20697 B13R1.893 C[C@@H](O)CSc1cc(ncc1F)Br 62a_100009817552_100010193852 [0,2,0,0,0,0|2,0,0]=4 20698 B13R1.893 C[C@@H](O)CSc1cc(ncc1F)Br 62a_100010193852_100009817552 [0,2,0,0,0,0|2,0,0]=4 20699 B13R1.893 C[C@@H](O)CSc1cc(ncc1F)Cl 62a_100000708277_100009817552 [0,2,0,0,0,0|2,0,0]=4 20700 B13R1.893 C[C@@H](O)CSc1cc(ncc1F)Cl 62a_100009817552_100000708277 [0,2,0,0,0,0|2,0,0]=4 20701 B13R1.893 C[C@@H](O)CSc1cc(ncc1F)F 62a_100009817552_100010233071 [0,2,0,0,0,0|2,0,0]=4 20702 B13R1.893 C[C@@H](O)CSc1cc(ncc1F)F 62a_100010233071_100009817552 [0,2,0,0,0,0|2,0,0]=4 20703 B13R1.893 C[C@@H](O)CSc1cc(ncc1F)N 62a_100009817552_100015713587 [0,2,0,0,0,0|2,0,0]=4 20704 B13R1.893 C[C@@H](O)CSc1cc(ncc1F)N 62a_100015713587_100009817552 [0,2,0,0,0,0|2,0,0]=4 20705 B13R1.893 C[C@@H](O)CSc1cc(ncc1N)Cl 62a_100000050123_100009817552 [0,2,0,0,0,0|2,0,0]=4 20706 B13R1.893 C[C@@H](O)CSc1cc(ncc1N)Cl 62a_100009817552_100000050123 [0,2,0,0,0,0|2,0,0]=4 20707 B13R1.893 C[C@@H](O)CSc1cc(ncc1O)Cl 62a_100000698892_100009817552 [0,2,0,0,0,0|2,0,0]=4 20708 B13R1.893 C[C@@H](O)CSc1cc(ncc1O)Cl 62a_100009817552_100000698892 [0,2,0,0,0,0|2,0,0]=4 20709 B13R1.893 C[C@@H](O)CSc1cn(ccc1=O)C 62a_100009817552_100010750718 [0,2,0,0,0,0|2,0,0]=4 20710 B13R1.893 C[C@@H](O)CSc1cn(ccc1=O)C 62a_100010750718_100009817552 [0,2,0,0,0,0|2,0,0]=4 20711 B13R1.893 C[C@@H](O)CSc1nc(ccc1Br)N 62a_100009817552_100010192275 [0,2,0,0,0,0|2,0,0]=4 20712 B13R1.893 C[C@@H](O)CSc1nc(ccc1Br)N 62a_100010192275_100009817552 [0,2,0,0,0,0|2,0,0]=4 20713 B13R1.893 C[C@@H](O)CSc1nc(ccc1F)Cl 62a_100009817552_100010136221 [0,2,0,0,0,0|2,0,0]=4 20714 B13R1.893 C[C@@H](O)CSc1nc(ccc1F)Cl 62a_100010136221_100009817552 [0,2,0,0,0,0|2,0,0]=4 20715 B13R1.893 C[C@@H](O)CSc1nc(ccc1F)F 62a_100009817552_100010997973 [0,2,0,0,0,0|2,0,0]=4 20716 B13R1.893 C[C@@H](O)CSc1nc(ccc1F)F 62a_100010997973_100009817552 [0,2,0,0,0,0|2,0,0]=4 20717 B13R1.893 C[C@@H](O)CSc1nc(ccc1F)N 62a_100009817552_100010892222 [0,2,0,0,0,0|2,0,0]=4 20718 B13R1.893 C[C@@H](O)CSc1nc(ccc1F)N 62a_100010892222_100009817552 [0,2,0,0,0,0|2,0,0]=4 20719 B13R1.893 C[C@@H](O)CSc1nc(ccc1N)Br 62a_100009817552_100010168765 [0,2,0,0,0,0|2,0,0]=4 20720 B13R1.893 C[C@@H](O)CSc1nc(ccc1N)Br 62a_100010168765_100009817552 [0,2,0,0,0,0|2,0,0]=4 20721 B13R1.893 C[C@@H](O)CSc1nc(ccc1N)Cl 62a_100009817552_100010233647 [0,2,0,0,0,0|2,0,0]=4 20722 B13R1.893 C[C@@H](O)CSc1nc(ccc1N)Cl 62a_100010233647_100009817552 [0,2,0,0,0,0|2,0,0]=4 20723 B13R1.893 C[C@@H](O)CSc1nc(ccc1N)F 62a_100009817552_100009879877 [0,2,0,0,0,0|2,0,0]=4 20724 B13R1.893 C[C@@H](O)CSc1nc(ccc1N)F 62a_100009879877_100009817552 [0,2,0,0,0,0|2,0,0]=4 20725 B13R1.893 C[C@@H](O)CSc1nc(ccc1N)N 62a_100009817552_200009884323 [0,2,0,0,0,0|2,0,0]=4 20726 B13R1.893 C[C@@H](O)CSc1nc(ccc1N)N 62a_200009884323_100009817552 [0,2,0,0,0,0|2,0,0]=4 20727 B13R1.893 C[C@@H](O)CSc1nc(ccc1O)Br 62a_100009817552_100010253912 [0,2,0,0,0,0|2,0,0]=4 20728 B13R1.893 C[C@@H](O)CSc1nc(ccc1O)Br 62a_100010253912_100009817552 [0,2,0,0,0,0|2,0,0]=4 20729 B13R1.893 C[C@@H](O)CSc1nc(ccc1O)Cl 62a_100009817552_100000696390 [0,2,0,0,0,0|2,0,0]=4 20730 B13R1.893 C[C@@H](O)CSc1nc(ccc1O)F 62a_100009817552_100010382442 [0,2,0,0,0,0|2,0,0]=4 20731 B13R1.893 C[C@@H](O)CSc1nc(ccc1O)F 62a_100010382442_100009817552 [0,2,0,0,0,0|2,0,0]=4 20732 B13R1.893 Cc1cc(c(cn1)Br)OCC(C)O 34a_100011016184_100011218427 [0,2,0,0,0,0|2,0,0]=4 20733 B13R1.893 Cc1cc(c(cn1)Br)OC[C@@H](C)O 34a_100011016184_100009817552 [0,2,0,0,0,0|2,0,0]=4 20734 B13R1.893 Cc1cc(c(cn1)C)SCC(C)O 62a_100009862788_100011218427 [0,2,0,0,0,0|2,0,0]=4 20735 B13R1.893 Cc1cc(c(cn1)C)SCC(C)O 62a_100011218427_100009862788 [0,2,0,0,0,0|2,0,0]=4 20736 B13R1.893 Cc1cc(c(cn1)C)SC[C@@H](C)O 62a_100009817552_100009862788 [0,2,0,0,0,0|2,0,0]=4 20737 B13R1.893 Cc1cc(c(cn1)C)SC[C@@H](C)O 62a_100009862788_100009817552 [0,2,0,0,0,0|2,0,0]=4 20738 B13R1.893 Cc1cc(c(cn1)F)NCC(C)O 27a_100000210904_100009867690 [0,2,0,0,0,0|2,0,0]=4 20739 B13R1.893 Cc1cc(c(cn1)F)SCC(C)O 62a_100009867690_100011218427 [0,2,0,0,0,0|2,0,0]=4 20740 B13R1.893 Cc1cc(c(cn1)F)SCC(C)O 62a_100011218427_100009867690 [0,2,0,0,0,0|2,0,0]=4 20741 B13R1.893 Cc1cc(c(cn1)F)SC[C@@H](C)O 62a_100009817552_100009867690 [0,2,0,0,0,0|2,0,0]=4 20742 B13R1.893 Cc1cc(c(cn1)F)SC[C@@H](C)O 62a_100009867690_100009817552 [0,2,0,0,0,0|2,0,0]=4 20743 B13R1.893 Cc1cc(c(cn1)O)SCC(C)O 62a_100009843476_100011218427 [0,2,0,0,0,0|2,0,0]=4 20744 B13R1.893 Cc1cc(c(cn1)O)SCC(C)O 62a_100011218427_100009843476 [0,2,0,0,0,0|2,0,0]=4 20745 B13R1.893 Cc1cc(c(cn1)O)SC[C@@H](C)O 62a_100009817552_100009843476 [0,2,0,0,0,0|2,0,0]=4 20746 B13R1.893 Cc1cc(c(cn1)O)SC[C@@H](C)O 62a_100009843476_100009817552 [0,2,0,0,0,0|2,0,0]=4 20747 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)Br 271570a_200011019289_100012353751 [0,2,0,0,0,0|0,0,2]=4 20748 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)C 271570a_200011019289_100000210833 [0,2,0,0,0,0|0,0,2]=4 20749 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)Cl 271570a_200011019289_100012356289 [0,2,0,0,0,0|0,0,2]=4 20750 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)F 271570a_200011019289_100000736223 [0,2,0,0,0,0|0,0,2]=4 20751 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)N 271570a_200011019289_100000210942 [0,2,0,0,0,0|0,0,2]=4 20752 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000765521 [0,2,0,0,0,0|0,0,2]=4 20753 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [0,2,0,0,0,0|0,0,2]=4 20754 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])F 1458a_100011934859_200025704644 [0,2,0,0,0,0|0,0,2]=4 20755 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Br 207a_100138425928_100011551863 [0,2,0,0,0,0|2,0,0]=4 20756 B13R1.893 Cc1ccc(c(c1)CNC(C)C)C 207a_100138425928_100000211343 [0,2,0,0,0,0|2,0,0]=4 20757 B13R1.893 Cc1ccc(c(c1)CNC(C)C)C 2230a_100138425928_100000184699 [0,2,0,0,0,0|2,0,0]=4 20758 B13R1.893 Cc1ccc(c(c1)CNC(C)C)C 34a_100000174964_100000210206 [0,2,0,0,0,0|2,0,0]=4 20759 B13R1.893 Cc1ccc(c(c1)CNC(C)C)C 34a_100138425928_100000184699 [0,2,0,0,0,0|2,0,0]=4 20760 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 207a_100138425928_100011551332 [0,2,0,0,0,0|2,0,0]=4 20761 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 2230a_100025705715_100000210206 [0,2,0,0,0,0|2,0,0]=4 20762 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 2230a_100138425928_100009871730 [0,2,0,0,0,0|2,0,0]=4 20763 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 34a_100025705715_100000210206 [0,2,0,0,0,0|2,0,0]=4 20764 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 34a_100138425928_100009871730 [0,2,0,0,0,0|2,0,0]=4 20765 B13R1.893 Cc1ccc(c(c1)CNC(C)C)F 207a_100138425928_100000756917 [0,2,0,0,0,0|2,0,0]=4 20766 B13R1.893 Cc1ccc(c(c1)CNC(C)C)F 2230a_100138425928_100011260760 [0,2,0,0,0,0|2,0,0]=4 20767 B13R1.893 Cc1ccc(c(c1)CNC(C)C)F 34a_100102693586_100000210206 [0,2,0,0,0,0|2,0,0]=4 20768 B13R1.893 Cc1ccc(c(c1)CNC(C)C)F 34a_100138425928_100011260760 [0,2,0,0,0,0|2,0,0]=4 20769 B13R1.893 Cc1ccc(c(c1)CNC(C)C)I 207a_100138425928_100010150105 [0,2,0,0,0,0|2,0,0]=4 20770 B13R1.893 Cc1ccc(c(c1)COC(C)C)Br 34a_100012361352_100000210206 [0,2,0,0,0,0|2,0,0]=4 20771 B13R1.893 Cc1ccc(c(c1)COC(C)C)Br 7a_100012361352_100000210206 [0,2,0,0,0,0|2,0,0]=4 20772 B13R1.893 Cc1ccc(c(c1)COC(C)C)C 34a_100000212225_100000184699 [0,2,0,0,0,0|2,0,0]=4 20773 B13R1.893 Cc1ccc(c(c1)COC(C)C)C 34a_200011215349_100000210206 [0,2,0,0,0,0|2,0,0]=4 20774 B13R1.893 Cc1ccc(c(c1)COC(C)C)C 7a_200011215349_100000210206 [0,2,0,0,0,0|2,0,0]=4 20775 B13R1.893 Cc1ccc(c(c1)COC(C)C)Cl 34a_100000212225_100009871730 [0,2,0,0,0,0|2,0,0]=4 20776 B13R1.893 Cc1ccc(c(c1)COC(C)C)Cl 34a_100009878994_100000210206 [0,2,0,0,0,0|2,0,0]=4 20777 B13R1.893 Cc1ccc(c(c1)COC(C)C)Cl 7a_100009878994_100000210206 [0,2,0,0,0,0|2,0,0]=4 20778 B13R1.893 Cc1ccc(c(c1)COC(C)C)F 34a_100000212225_100011260760 [0,2,0,0,0,0|2,0,0]=4 20779 B13R1.893 Cc1ccc(c(c1)COC(C)C)F 34a_100011692775_100000210206 [0,2,0,0,0,0|2,0,0]=4 20780 B13R1.893 Cc1ccc(c(c1)COC(C)C)F 7a_100011692775_100000210206 [0,2,0,0,0,0|2,0,0]=4 20781 B13R1.893 Cc1ccc(c(c1)COC(C)C)N 34a_100011215565_100000210206 [0,2,0,0,0,0|2,0,0]=4 20782 B13R1.893 Cc1ccc(c(c1)COC(C)C)N 7a_100011215565_100000210206 [0,2,0,0,0,0|2,0,0]=4 20783 B13R1.893 Cc1ccc(c(c1)CSC(C)C)C 62a_100000184699_100000210206 [0,2,0,0,0,0|2,0,0]=4 20784 B13R1.893 Cc1ccc(c(c1)CSC(C)C)C 62a_100000210206_100000184699 [0,2,0,0,0,0|2,0,0]=4 20785 B13R1.893 Cc1ccc(c(c1)CSC(C)C)Cl 62a_100000210206_100009871730 [0,2,0,0,0,0|2,0,0]=4 20786 B13R1.893 Cc1ccc(c(c1)CSC(C)C)Cl 62a_100009871730_100000210206 [0,2,0,0,0,0|2,0,0]=4 20787 B13R1.893 Cc1ccc(c(c1)CSC(C)C)F 62a_100000210206_100011260760 [0,2,0,0,0,0|2,0,0]=4 20788 B13R1.893 Cc1ccc(c(c1)CSC(C)C)F 62a_100011260760_100000210206 [0,2,0,0,0,0|2,0,0]=4 20789 B13R1.893 Cc1ccc(c(c1)NCC(C)C)Br 34a_100000745044_100000210624 [0,2,0,0,0,0|2,0,0]=4 20790 B13R1.893 Cc1ccc(c(c1)NCC(C)C)C 2230a_100000185781_100000210760 [0,2,0,0,0,0|2,0,0]=4 20791 B13R1.893 Cc1ccc(c(c1)NCC(C)C)C 34a_100000185781_100000210624 [0,2,0,0,0,0|2,0,0]=4 20792 B13R1.893 Cc1ccc(c(c1)NCC(C)C)C 7a_100000185781_100000210760 [0,2,0,0,0,0|2,0,0]=4 20793 B13R1.893 Cc1ccc(c(c1)NCC(C)C)Cl 34a_100011215360_100000210624 [0,2,0,0,0,0|2,0,0]=4 20794 B13R1.893 Cc1ccc(c(c1)NCC(C)C)F 34a_100000211285_100000210624 [0,2,0,0,0,0|2,0,0]=4 20795 B13R1.893 Cc1ccc(c(c1)NCC(C)C)I 34a_100011216686_100000210624 [0,2,0,0,0,0|2,0,0]=4 20796 B13R1.893 Cc1ccc(c(c1)NCC(C)C)O 34a_100011215204_100000210624 [0,2,0,0,0,0|2,0,0]=4 20797 B13R1.893 Cc1ccc(c(c1)NCC(C)O)Br 34a_100000745044_100011218427 [0,2,0,0,0,0|1,0,0]=3 20798 B13R1.893 Cc1ccc(c(c1)NCC(C)O)C 2230a_100000185781_100011218427 [0,2,0,0,0,0|1,0,0]=3 20799 B13R1.893 Cc1ccc(c(c1)NCC(C)O)C 34a_100000185781_100011218427 [0,2,0,0,0,0|1,0,0]=3 20800 B13R1.893 Cc1ccc(c(c1)NCC(C)O)C 7a_100000185781_100011218427 [0,2,0,0,0,0|1,0,0]=3 20801 B13R1.893 Cc1ccc(c(c1)NCC(C)O)Cl 34a_100011215360_100011218427 [0,2,0,0,0,0|1,0,0]=3 20802 B13R1.893 Cc1ccc(c(c1)NCC(C)O)F 34a_100000211285_100011218427 [0,2,0,0,0,0|1,0,0]=3 20803 B13R1.893 Cc1ccc(c(c1)NCC(C)O)I 34a_100011216686_100011218427 [0,2,0,0,0,0|1,0,0]=3 20804 B13R1.893 Cc1ccc(c(c1)NCC(C)O)O 34a_100011215204_100011218427 [0,2,0,0,0,0|1,0,0]=3 20805 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)Br 34a_100000745044_100009817552 [0,2,0,0,0,0|1,0,0]=3 20806 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)C 2230a_100000185781_100009817552 [0,2,0,0,0,0|1,0,0]=3 20807 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)C 34a_100000185781_100009817552 [0,2,0,0,0,0|1,0,0]=3 20808 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)C 7a_100000185781_100009817552 [0,2,0,0,0,0|1,0,0]=3 20809 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)Cl 34a_100011215360_100009817552 [0,2,0,0,0,0|1,0,0]=3 20810 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)F 34a_100000211285_100009817552 [0,2,0,0,0,0|1,0,0]=3 20811 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)I 34a_100011216686_100009817552 [0,2,0,0,0,0|1,0,0]=3 20812 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)O 34a_100011215204_100009817552 [0,2,0,0,0,0|1,0,0]=3 20813 B13R1.893 Cc1ccc(c(c1)OCC(C)C)Br 34a_100012002257_100000210624 [0,2,0,0,0,0|2,0,0]=4 20814 B13R1.893 Cc1ccc(c(c1)OCC(C)C)Br 7a_100012002257_100000210760 [0,2,0,0,0,0|2,0,0]=4 20815 B13R1.893 Cc1ccc(c(c1)OCC(C)C)C 34a_100000210931_100000210624 [0,2,0,0,0,0|2,0,0]=4 20816 B13R1.893 Cc1ccc(c(c1)OCC(C)C)C 7a_100000210931_100000210760 [0,2,0,0,0,0|2,0,0]=4 20817 B13R1.893 Cc1ccc(c(c1)OCC(C)C)Cl 34a_100000211493_100000210624 [0,2,0,0,0,0|2,0,0]=4 20818 B13R1.893 Cc1ccc(c(c1)OCC(C)C)Cl 7a_100000211493_100000210760 [0,2,0,0,0,0|2,0,0]=4 20819 B13R1.893 Cc1ccc(c(c1)OCC(C)C)F 34a_100000759540_100000210624 [0,2,0,0,0,0|2,0,0]=4 20820 B13R1.893 Cc1ccc(c(c1)OCC(C)C)F 7a_100000759540_100000210760 [0,2,0,0,0,0|2,0,0]=4 20821 B13R1.893 Cc1ccc(c(c1)OCC(C)C)N 34a_100000211527_100000210624 [0,2,0,0,0,0|2,0,0]=4 20822 B13R1.893 Cc1ccc(c(c1)OCC(C)C)N 7a_100000211527_100000210760 [0,2,0,0,0,0|2,0,0]=4 20823 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Br 34a_100012002257_100011218427 [0,2,0,0,0,0|1,0,0]=3 20824 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Br 7a_100012002257_100011218427 [0,2,0,0,0,0|1,0,0]=3 20825 B13R1.893 Cc1ccc(c(c1)OCC(C)O)C 34a_100000210931_100011218427 [0,2,0,0,0,0|1,0,0]=3 20826 B13R1.893 Cc1ccc(c(c1)OCC(C)O)C 7a_100000210931_100011218427 [0,2,0,0,0,0|1,0,0]=3 20827 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Cl 34a_100000211493_100011218427 [0,2,0,0,0,0|1,0,0]=3 20828 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Cl 7a_100000211493_100011218427 [0,2,0,0,0,0|1,0,0]=3 20829 B13R1.893 Cc1ccc(c(c1)OCC(C)O)F 34a_100000759540_100011218427 [0,2,0,0,0,0|1,0,0]=3 20830 B13R1.893 Cc1ccc(c(c1)OCC(C)O)F 7a_100000759540_100011218427 [0,2,0,0,0,0|1,0,0]=3 20831 B13R1.893 Cc1ccc(c(c1)OCC(C)O)N 34a_100000211527_100011218427 [0,2,0,0,0,0|1,0,0]=3 20832 B13R1.893 Cc1ccc(c(c1)OCC(C)O)N 7a_100000211527_100011218427 [0,2,0,0,0,0|1,0,0]=3 20833 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Br 34a_100012002257_100009817552 [0,2,0,0,0,0|1,0,0]=3 20834 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Br 7a_100012002257_100009817552 [0,2,0,0,0,0|1,0,0]=3 20835 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)C 34a_100000210931_100009817552 [0,2,0,0,0,0|1,0,0]=3 20836 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)C 7a_100000210931_100009817552 [0,2,0,0,0,0|1,0,0]=3 20837 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Cl 34a_100000211493_100009817552 [0,2,0,0,0,0|1,0,0]=3 20838 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Cl 7a_100000211493_100009817552 [0,2,0,0,0,0|1,0,0]=3 20839 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)F 34a_100000759540_100009817552 [0,2,0,0,0,0|1,0,0]=3 20840 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)F 7a_100000759540_100009817552 [0,2,0,0,0,0|1,0,0]=3 20841 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)N 34a_100000211527_100009817552 [0,2,0,0,0,0|1,0,0]=3 20842 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)N 7a_100000211527_100009817552 [0,2,0,0,0,0|1,0,0]=3 20843 B13R1.893 Cc1ccc(c(c1)SCC(C)C)Br 62a_100000210624_100012353751 [0,2,0,0,0,0|2,0,0]=4 20844 B13R1.893 Cc1ccc(c(c1)SCC(C)C)Br 62a_100012353751_100000210760 [0,2,0,0,0,0|2,0,0]=4 20845 B13R1.893 Cc1ccc(c(c1)SCC(C)C)C 62a_100000210624_100000210833 [0,2,0,0,0,0|2,0,0]=4 20846 B13R1.893 Cc1ccc(c(c1)SCC(C)C)C 62a_100000210833_100000210760 [0,2,0,0,0,0|2,0,0]=4 20847 B13R1.893 Cc1ccc(c(c1)SCC(C)C)Cl 62a_100000210624_100012356289 [0,2,0,0,0,0|2,0,0]=4 20848 B13R1.893 Cc1ccc(c(c1)SCC(C)C)Cl 62a_100012356289_100000210760 [0,2,0,0,0,0|2,0,0]=4 20849 B13R1.893 Cc1ccc(c(c1)SCC(C)C)F 62a_100000210624_100000736223 [0,2,0,0,0,0|2,0,0]=4 20850 B13R1.893 Cc1ccc(c(c1)SCC(C)C)F 62a_100000736223_100000210760 [0,2,0,0,0,0|2,0,0]=4 20851 B13R1.893 Cc1ccc(c(c1)SCC(C)C)N 62a_100000210624_100011356834 [0,2,0,0,0,0|2,0,0]=4 20852 B13R1.893 Cc1ccc(c(c1)SCC(C)C)N 62a_100011356834_100000210760 [0,2,0,0,0,0|2,0,0]=4 20853 B13R1.893 Cc1ccc(c(c1)SCC(C)C)O 62a_100000210624_100000765521 [0,2,0,0,0,0|2,0,0]=4 20854 B13R1.893 Cc1ccc(c(c1)SCC(C)C)O 62a_100000765521_100000210760 [0,2,0,0,0,0|2,0,0]=4 20855 B13R1.893 Cc1ccc(c(c1)SCC(C)O)Br 62a_100011218427_100012353751 [0,2,0,0,0,0|1,0,0]=3 20856 B13R1.893 Cc1ccc(c(c1)SCC(C)O)Br 62a_100012353751_100011218427 [0,2,0,0,0,0|1,0,0]=3 20857 B13R1.893 Cc1ccc(c(c1)SCC(C)O)C 62a_100000210833_100011218427 [0,2,0,0,0,0|1,0,0]=3 20858 B13R1.893 Cc1ccc(c(c1)SCC(C)O)C 62a_100011218427_100000210833 [0,2,0,0,0,0|1,0,0]=3 20859 B13R1.893 Cc1ccc(c(c1)SCC(C)O)Cl 62a_100011218427_100012356289 [0,2,0,0,0,0|1,0,0]=3 20860 B13R1.893 Cc1ccc(c(c1)SCC(C)O)Cl 62a_100012356289_100011218427 [0,2,0,0,0,0|1,0,0]=3 20861 B13R1.893 Cc1ccc(c(c1)SCC(C)O)F 62a_100000736223_100011218427 [0,2,0,0,0,0|1,0,0]=3 20862 B13R1.893 Cc1ccc(c(c1)SCC(C)O)F 62a_100011218427_100000736223 [0,2,0,0,0,0|1,0,0]=3 20863 B13R1.893 Cc1ccc(c(c1)SCC(C)O)N 62a_100011218427_100011356834 [0,2,0,0,0,0|1,0,0]=3 20864 B13R1.893 Cc1ccc(c(c1)SCC(C)O)N 62a_100011356834_100011218427 [0,2,0,0,0,0|1,0,0]=3 20865 B13R1.893 Cc1ccc(c(c1)SCC(C)O)O 62a_100000765521_100011218427 [0,2,0,0,0,0|1,0,0]=3 20866 B13R1.893 Cc1ccc(c(c1)SCC(C)O)O 62a_100011218427_100000765521 [0,2,0,0,0,0|1,0,0]=3 20867 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)Br 62a_100009817552_100012353751 [0,2,0,0,0,0|1,0,0]=3 20868 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)Br 62a_100012353751_100009817552 [0,2,0,0,0,0|1,0,0]=3 20869 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)C 62a_100000210833_100009817552 [0,2,0,0,0,0|1,0,0]=3 20870 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)C 62a_100009817552_100000210833 [0,2,0,0,0,0|1,0,0]=3 20871 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)Cl 62a_100009817552_100012356289 [0,2,0,0,0,0|1,0,0]=3 20872 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)Cl 62a_100012356289_100009817552 [0,2,0,0,0,0|1,0,0]=3 20873 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)F 62a_100000736223_100009817552 [0,2,0,0,0,0|1,0,0]=3 20874 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)F 62a_100009817552_100000736223 [0,2,0,0,0,0|1,0,0]=3 20875 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)N 62a_100009817552_100011356834 [0,2,0,0,0,0|1,0,0]=3 20876 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)N 62a_100011356834_100009817552 [0,2,0,0,0,0|1,0,0]=3 20877 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)O 62a_100000765521_100009817552 [0,2,0,0,0,0|1,0,0]=3 20878 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)O 62a_100009817552_100000765521 [0,2,0,0,0,0|1,0,0]=3 20879 B13R1.893 Cc1ccc(c(n1)OCC(C)O)Br 34a_100009817604_100011218427 [0,2,0,0,0,0|2,0,0]=4 20880 B13R1.893 Cc1ccc(c(n1)OCC(C)O)N 34a_100000687486_100011218427 [0,2,0,0,0,0|2,0,0]=4 20881 B13R1.893 Cc1ccc(c(n1)OC[C@@H](C)O)Br 34a_100009817604_100009817552 [0,2,0,0,0,0|2,0,0]=4 20882 B13R1.893 Cc1ccc(c(n1)OC[C@@H](C)O)N 34a_100000687486_100009817552 [0,2,0,0,0,0|2,0,0]=4 20883 B13R1.893 Cc1ccc(c(n1)SCC(C)O)C 62a_100009854376_100011218427 [0,2,0,0,0,0|2,0,0]=4 20884 B13R1.893 Cc1ccc(c(n1)SCC(C)O)C 62a_100011218427_100009854376 [0,2,0,0,0,0|2,0,0]=4 20885 B13R1.893 Cc1ccc(c(n1)SCC(C)O)F 62a_100009817602_100011218427 [0,2,0,0,0,0|2,0,0]=4 20886 B13R1.893 Cc1ccc(c(n1)SCC(C)O)F 62a_100011218427_100009817602 [0,2,0,0,0,0|2,0,0]=4 20887 B13R1.893 Cc1ccc(c(n1)SCC(C)O)N 62a_100000685570_100011218427 [0,2,0,0,0,0|2,0,0]=4 20888 B13R1.893 Cc1ccc(c(n1)SCC(C)O)N 62a_100011218427_100000685570 [0,2,0,0,0,0|2,0,0]=4 20889 B13R1.893 Cc1ccc(c(n1)SCC(C)O)O 62a_100000702858_100011218427 [0,2,0,0,0,0|2,0,0]=4 20890 B13R1.893 Cc1ccc(c(n1)SCC(C)O)O 62a_100011218427_100000702858 [0,2,0,0,0,0|2,0,0]=4 20891 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)C 62a_100009817552_100009854376 [0,2,0,0,0,0|2,0,0]=4 20892 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)C 62a_100009854376_100009817552 [0,2,0,0,0,0|2,0,0]=4 20893 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)F 62a_100009817552_100009817602 [0,2,0,0,0,0|2,0,0]=4 20894 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)F 62a_100009817602_100009817552 [0,2,0,0,0,0|2,0,0]=4 20895 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)N 62a_100000685570_100009817552 [0,2,0,0,0,0|2,0,0]=4 20896 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)N 62a_100009817552_100000685570 [0,2,0,0,0,0|2,0,0]=4 20897 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)O 62a_100000702858_100009817552 [0,2,0,0,0,0|2,0,0]=4 20898 B13R1.893 Cc1ccc(c(n1)SC[C@@H](C)O)O 62a_100009817552_100000702858 [0,2,0,0,0,0|2,0,0]=4 20899 B13R1.893 Cc1ccc(cc1C=CC(C)O)Br 271570a_200011019289_100011344865 [0,2,0,0,0,0|0,0,2]=4 20900 B13R1.893 Cc1ccc(cc1C=CC(C)O)Cl 271570a_200011019289_100011263213 [0,2,0,0,0,0|0,0,2]=4 20901 B13R1.893 Cc1ccc(cc1C=CC(C)O)F 271570a_200011019289_100011218078 [0,2,0,0,0,0|0,0,2]=4 20902 B13R1.893 Cc1ccc(cc1C=CC(C)O)N 271570a_200011019289_100000736455 [0,2,0,0,0,0|0,0,2]=4 20903 B13R1.893 Cc1ccc(cc1C=CC(C)O)O 271570a_200011019289_100011380479 [0,2,0,0,0,0|0,0,2]=4 20904 B13R1.893 Cc1ccc(cc1CCC(=O)[13CH3])F 1458a_100011830270_200025704644 [0,2,0,0,0,0|0,0,2]=4 20905 B13R1.893 Cc1ccc(cc1CNC(C)C)Br 207a_100138425928_100011361606 [0,2,0,0,0,0|2,0,0]=4 20906 B13R1.893 Cc1ccc(cc1CNC(C)C)Cl 207a_100138425928_100011551331 [0,2,0,0,0,0|2,0,0]=4 20907 B13R1.893 Cc1ccc(cc1CNC(C)C)Cl 2230a_100138425928_100012186985 [0,2,0,0,0,0|2,0,0]=4 20908 B13R1.893 Cc1ccc(cc1CNC(C)C)Cl 34a_100000717755_100000210206 [0,2,0,0,0,0|2,0,0]=4 20909 B13R1.893 Cc1ccc(cc1CNC(C)C)Cl 34a_100138425928_100012186985 [0,2,0,0,0,0|2,0,0]=4 20910 B13R1.893 Cc1ccc(cc1CNC(C)C)F 207a_100138425928_100000697687 [0,2,0,0,0,0|2,0,0]=4 20911 B13R1.893 Cc1ccc(cc1CNC(C)C)F 2230a_100138425928_100000709795 [0,2,0,0,0,0|2,0,0]=4 20912 B13R1.893 Cc1ccc(cc1CNC(C)C)F 34a_100011217291_100000210206 [0,2,0,0,0,0|2,0,0]=4 20913 B13R1.893 Cc1ccc(cc1CNC(C)C)F 34a_100138425928_100000709795 [0,2,0,0,0,0|2,0,0]=4 20914 B13R1.893 Cc1ccc(cc1CNC(C)C)O 34a_200009844824_100000210206 [0,2,0,0,0,0|2,0,0]=4 20915 B13R1.893 Cc1ccc(cc1COC(C)C)Br 34a_100000700630_100000210206 [0,2,0,0,0,0|2,0,0]=4 20916 B13R1.893 Cc1ccc(cc1COC(C)C)Br 7a_100000700630_100000210206 [0,2,0,0,0,0|2,0,0]=4 20917 B13R1.893 Cc1ccc(cc1COC(C)C)Cl 34a_100000212225_100012186985 [0,2,0,0,0,0|2,0,0]=4 20918 B13R1.893 Cc1ccc(cc1COC(C)C)Cl 34a_100012002407_100000210206 [0,2,0,0,0,0|2,0,0]=4 20919 B13R1.893 Cc1ccc(cc1COC(C)C)Cl 7a_100012002407_100000210206 [0,2,0,0,0,0|2,0,0]=4 20920 B13R1.893 Cc1ccc(cc1COC(C)C)F 34a_100000212225_100000709795 [0,2,0,0,0,0|2,0,0]=4 20921 B13R1.893 Cc1ccc(cc1COC(C)C)F 34a_100011219218_100000210206 [0,2,0,0,0,0|2,0,0]=4 20922 B13R1.893 Cc1ccc(cc1COC(C)C)F 7a_100011219218_100000210206 [0,2,0,0,0,0|2,0,0]=4 20923 B13R1.893 Cc1ccc(cc1COC(C)C)I 34a_100010150140_100000210206 [0,2,0,0,0,0|2,0,0]=4 20924 B13R1.893 Cc1ccc(cc1COC(C)C)I 7a_100010150140_100000210206 [0,2,0,0,0,0|2,0,0]=4 20925 B13R1.893 Cc1ccc(cc1CSC(C)C)Cl 62a_100000210206_100012186985 [0,2,0,0,0,0|2,0,0]=4 20926 B13R1.893 Cc1ccc(cc1CSC(C)C)Cl 62a_100012186985_100000210206 [0,2,0,0,0,0|2,0,0]=4 20927 B13R1.893 Cc1ccc(cc1CSC(C)C)F 62a_100000210206_100000709795 [0,2,0,0,0,0|2,0,0]=4 20928 B13R1.893 Cc1ccc(cc1CSC(C)C)F 62a_100000709795_100000210206 [0,2,0,0,0,0|2,0,0]=4 20929 B13R1.893 Cc1ccc(cc1NCC(C)C)Br 34a_100000741167_100000210624 [0,2,0,0,0,0|2,0,0]=4 20930 B13R1.893 Cc1ccc(cc1NCC(C)C)Br 7a_100000741167_100000210760 [0,2,0,0,0,0|2,0,0]=4 20931 B13R1.893 Cc1ccc(cc1NCC(C)C)Cl 34a_100000211374_100000210624 [0,2,0,0,0,0|2,0,0]=4 20932 B13R1.893 Cc1ccc(cc1NCC(C)C)Cl 7a_100000211374_100000210760 [0,2,0,0,0,0|2,0,0]=4 20933 B13R1.893 Cc1ccc(cc1NCC(C)C)F 34a_100000211107_100000210624 [0,2,0,0,0,0|2,0,0]=4 20934 B13R1.893 Cc1ccc(cc1NCC(C)C)F 7a_100000211107_100000210760 [0,2,0,0,0,0|2,0,0]=4 20935 B13R1.893 Cc1ccc(cc1NCC(C)C)I 7a_100000761890_100000210760 [0,2,0,0,0,0|2,0,0]=4 20936 B13R1.893 Cc1ccc(cc1NCC(C)C)O 34a_100011216113_100000210624 [0,2,0,0,0,0|2,0,0]=4 20937 B13R1.893 Cc1ccc(cc1NCC(C)O)Br 34a_100000741167_100011218427 [0,2,0,0,0,0|1,0,0]=3 20938 B13R1.893 Cc1ccc(cc1NCC(C)O)Br 7a_100000741167_100011218427 [0,2,0,0,0,0|1,0,0]=3 20939 B13R1.893 Cc1ccc(cc1NCC(C)O)Cl 34a_100000211374_100011218427 [0,2,0,0,0,0|1,0,0]=3 20940 B13R1.893 Cc1ccc(cc1NCC(C)O)Cl 7a_100000211374_100011218427 [0,2,0,0,0,0|1,0,0]=3 20941 B13R1.893 Cc1ccc(cc1NCC(C)O)F 34a_100000211107_100011218427 [0,2,0,0,0,0|1,0,0]=3 20942 B13R1.893 Cc1ccc(cc1NCC(C)O)F 7a_100000211107_100011218427 [0,2,0,0,0,0|1,0,0]=3 20943 B13R1.893 Cc1ccc(cc1NCC(C)O)I 7a_100000761890_100011218427 [0,2,0,0,0,0|1,0,0]=3 20944 B13R1.893 Cc1ccc(cc1NCC(C)O)O 34a_100011216113_100011218427 [0,2,0,0,0,0|1,0,0]=3 20945 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)Br 34a_100000741167_100009817552 [0,2,0,0,0,0|1,0,0]=3 20946 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)Br 7a_100000741167_100009817552 [0,2,0,0,0,0|1,0,0]=3 20947 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)Cl 34a_100000211374_100009817552 [0,2,0,0,0,0|1,0,0]=3 20948 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)Cl 7a_100000211374_100009817552 [0,2,0,0,0,0|1,0,0]=3 20949 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)F 34a_100000211107_100009817552 [0,2,0,0,0,0|1,0,0]=3 20950 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)F 7a_100000211107_100009817552 [0,2,0,0,0,0|1,0,0]=3 20951 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)I 7a_100000761890_100009817552 [0,2,0,0,0,0|1,0,0]=3 20952 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)O 34a_100011216113_100009817552 [0,2,0,0,0,0|1,0,0]=3 20953 B13R1.893 Cc1ccc(cc1OCC(C)C)Br 34a_100000685420_100000210624 [0,2,0,0,0,0|2,0,0]=4 20954 B13R1.893 Cc1ccc(cc1OCC(C)C)Br 7a_100000685420_100000210760 [0,2,0,0,0,0|2,0,0]=4 20955 B13R1.893 Cc1ccc(cc1OCC(C)C)Cl 34a_100000756515_100000210624 [0,2,0,0,0,0|2,0,0]=4 20956 B13R1.893 Cc1ccc(cc1OCC(C)C)Cl 7a_100000756515_100000210760 [0,2,0,0,0,0|2,0,0]=4 20957 B13R1.893 Cc1ccc(cc1OCC(C)C)F 34a_100000690566_100000210624 [0,2,0,0,0,0|2,0,0]=4 20958 B13R1.893 Cc1ccc(cc1OCC(C)C)F 7a_100000690566_100000210760 [0,2,0,0,0,0|2,0,0]=4 20959 B13R1.893 Cc1ccc(cc1OCC(C)C)I 7a_100000766334_100000210760 [0,2,0,0,0,0|2,0,0]=4 20960 B13R1.893 Cc1ccc(cc1OCC(C)C)N 34a_100000759471_100000210624 [0,2,0,0,0,0|2,0,0]=4 20961 B13R1.893 Cc1ccc(cc1OCC(C)C)N 7a_100000759471_100000210760 [0,2,0,0,0,0|2,0,0]=4 20962 B13R1.893 Cc1ccc(cc1OCC(C)O)Br 34a_100000685420_100011218427 [0,2,0,0,0,0|1,0,0]=3 20963 B13R1.893 Cc1ccc(cc1OCC(C)O)Br 7a_100000685420_100011218427 [0,2,0,0,0,0|1,0,0]=3 20964 B13R1.893 Cc1ccc(cc1OCC(C)O)Cl 34a_100000756515_100011218427 [0,2,0,0,0,0|1,0,0]=3 20965 B13R1.893 Cc1ccc(cc1OCC(C)O)Cl 7a_100000756515_100011218427 [0,2,0,0,0,0|1,0,0]=3 20966 B13R1.893 Cc1ccc(cc1OCC(C)O)F 34a_100000690566_100011218427 [0,2,0,0,0,0|1,0,0]=3 20967 B13R1.893 Cc1ccc(cc1OCC(C)O)F 7a_100000690566_100011218427 [0,2,0,0,0,0|1,0,0]=3 20968 B13R1.893 Cc1ccc(cc1OCC(C)O)I 7a_100000766334_100011218427 [0,2,0,0,0,0|1,0,0]=3 20969 B13R1.893 Cc1ccc(cc1OCC(C)O)N 34a_100000759471_100011218427 [0,2,0,0,0,0|1,0,0]=3 20970 B13R1.893 Cc1ccc(cc1OCC(C)O)N 7a_100000759471_100011218427 [0,2,0,0,0,0|1,0,0]=3 20971 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Br 34a_100000685420_100009817552 [0,2,0,0,0,0|1,0,0]=3 20972 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Br 7a_100000685420_100009817552 [0,2,0,0,0,0|1,0,0]=3 20973 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Cl 34a_100000756515_100009817552 [0,2,0,0,0,0|1,0,0]=3 20974 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Cl 7a_100000756515_100009817552 [0,2,0,0,0,0|1,0,0]=3 20975 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)F 34a_100000690566_100009817552 [0,2,0,0,0,0|1,0,0]=3 20976 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)F 7a_100000690566_100009817552 [0,2,0,0,0,0|1,0,0]=3 20977 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)I 7a_100000766334_100009817552 [0,2,0,0,0,0|1,0,0]=3 20978 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)N 34a_100000759471_100009817552 [0,2,0,0,0,0|1,0,0]=3 20979 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)N 7a_100000759471_100009817552 [0,2,0,0,0,0|1,0,0]=3 20980 B13R1.893 Cc1ccc(cc1SCC(C)C)Br 62a_100000210624_100011344865 [0,2,0,0,0,0|2,0,0]=4 20981 B13R1.893 Cc1ccc(cc1SCC(C)C)Br 62a_100011344865_100000210760 [0,2,0,0,0,0|2,0,0]=4 20982 B13R1.893 Cc1ccc(cc1SCC(C)C)Cl 62a_100000210624_100011263213 [0,2,0,0,0,0|2,0,0]=4 20983 B13R1.893 Cc1ccc(cc1SCC(C)C)Cl 62a_100011263213_100000210760 [0,2,0,0,0,0|2,0,0]=4 20984 B13R1.893 Cc1ccc(cc1SCC(C)C)F 62a_100000210624_100011218078 [0,2,0,0,0,0|2,0,0]=4 20985 B13R1.893 Cc1ccc(cc1SCC(C)C)F 62a_100011218078_100000210760 [0,2,0,0,0,0|2,0,0]=4 20986 B13R1.893 Cc1ccc(cc1SCC(C)C)N 62a_100000210624_100000736455 [0,2,0,0,0,0|2,0,0]=4 20987 B13R1.893 Cc1ccc(cc1SCC(C)C)N 62a_100000736455_100000210760 [0,2,0,0,0,0|2,0,0]=4 20988 B13R1.893 Cc1ccc(cc1SCC(C)C)O 62a_100000210624_100011380479 [0,2,0,0,0,0|2,0,0]=4 20989 B13R1.893 Cc1ccc(cc1SCC(C)C)O 62a_100011380479_100000210760 [0,2,0,0,0,0|2,0,0]=4 20990 B13R1.893 Cc1ccc(cc1SCC(C)O)Br 62a_100011218427_100011344865 [0,2,0,0,0,0|1,0,0]=3 20991 B13R1.893 Cc1ccc(cc1SCC(C)O)Br 62a_100011344865_100011218427 [0,2,0,0,0,0|1,0,0]=3 20992 B13R1.893 Cc1ccc(cc1SCC(C)O)Cl 62a_100011218427_100011263213 [0,2,0,0,0,0|1,0,0]=3 20993 B13R1.893 Cc1ccc(cc1SCC(C)O)Cl 62a_100011263213_100011218427 [0,2,0,0,0,0|1,0,0]=3 20994 B13R1.893 Cc1ccc(cc1SCC(C)O)F 62a_100011218078_100011218427 [0,2,0,0,0,0|1,0,0]=3 20995 B13R1.893 Cc1ccc(cc1SCC(C)O)F 62a_100011218427_100011218078 [0,2,0,0,0,0|1,0,0]=3 20996 B13R1.893 Cc1ccc(cc1SCC(C)O)N 62a_100000736455_100011218427 [0,2,0,0,0,0|1,0,0]=3 20997 B13R1.893 Cc1ccc(cc1SCC(C)O)N 62a_100011218427_100000736455 [0,2,0,0,0,0|1,0,0]=3 20998 B13R1.893 Cc1ccc(cc1SCC(C)O)O 62a_100011218427_100011380479 [0,2,0,0,0,0|1,0,0]=3 20999 B13R1.893 Cc1ccc(cc1SCC(C)O)O 62a_100011380479_100011218427 [0,2,0,0,0,0|1,0,0]=3 21000 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)Br 62a_100009817552_100011344865 [0,2,0,0,0,0|1,0,0]=3 21001 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)Br 62a_100011344865_100009817552 [0,2,0,0,0,0|1,0,0]=3 21002 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)Cl 62a_100009817552_100011263213 [0,2,0,0,0,0|1,0,0]=3 21003 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)Cl 62a_100011263213_100009817552 [0,2,0,0,0,0|1,0,0]=3 21004 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)F 62a_100009817552_100011218078 [0,2,0,0,0,0|1,0,0]=3 21005 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)F 62a_100011218078_100009817552 [0,2,0,0,0,0|1,0,0]=3 21006 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)N 62a_100000736455_100009817552 [0,2,0,0,0,0|1,0,0]=3 21007 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)N 62a_100009817552_100000736455 [0,2,0,0,0,0|1,0,0]=3 21008 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)O 62a_100009817552_100011380479 [0,2,0,0,0,0|1,0,0]=3 21009 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)O 62a_100011380479_100009817552 [0,2,0,0,0,0|1,0,0]=3 21010 B13R1.893 Cc1ccc(nc1SCC(C)O)N 62a_100000126722_100011218427 [0,2,0,0,0,0|2,0,0]=4 21011 B13R1.893 Cc1ccc(nc1SCC(C)O)N 62a_100011218427_100000126722 [0,2,0,0,0,0|2,0,0]=4 21012 B13R1.893 Cc1ccc(nc1SC[C@@H](C)O)N 62a_100000126722_100009817552 [0,2,0,0,0,0|2,0,0]=4 21013 B13R1.893 Cc1ccc(nc1SC[C@@H](C)O)N 62a_100009817552_100000126722 [0,2,0,0,0,0|2,0,0]=4 21014 B13R1.893 Cc1cnc(c(c1)NCC(C)O)F 27a_100000210904_100009820679 [0,2,0,0,0,0|2,0,0]=4 21015 B13R1.893 Cc1cnc(c(c1)OCC(C)O)Cl 34a_100012000487_100011218427 [0,2,0,0,0,0|2,0,0]=4 21016 B13R1.893 Cc1cnc(c(c1)OCC(C)O)Cl 7a_100012000487_100011218427 [0,2,0,0,0,0|2,0,0]=4 21017 B13R1.893 Cc1cnc(c(c1)OCC(C)O)F 34a_100009849810_100011218427 [0,2,0,0,0,0|2,0,0]=4 21018 B13R1.893 Cc1cnc(c(c1)OCC(C)O)F 7a_100009849810_100011218427 [0,2,0,0,0,0|2,0,0]=4 21019 B13R1.893 Cc1cnc(c(c1)OC[C@@H](C)O)Cl 34a_100012000487_100009817552 [0,2,0,0,0,0|2,0,0]=4 21020 B13R1.893 Cc1cnc(c(c1)OC[C@@H](C)O)Cl 7a_100012000487_100009817552 [0,2,0,0,0,0|2,0,0]=4 21021 B13R1.893 Cc1cnc(c(c1)OC[C@@H](C)O)F 34a_100009849810_100009817552 [0,2,0,0,0,0|2,0,0]=4 21022 B13R1.893 Cc1cnc(c(c1)OC[C@@H](C)O)F 7a_100009849810_100009817552 [0,2,0,0,0,0|2,0,0]=4 21023 B13R1.893 Cc1cnc(c(c1)SCC(C)O)C 62a_100009817436_100011218427 [0,2,0,0,0,0|2,0,0]=4 21024 B13R1.893 Cc1cnc(c(c1)SCC(C)O)C 62a_100011218427_100009817436 [0,2,0,0,0,0|2,0,0]=4 21025 B13R1.893 Cc1cnc(c(c1)SCC(C)O)Cl 62a_100010210167_100011218427 [0,2,0,0,0,0|2,0,0]=4 21026 B13R1.893 Cc1cnc(c(c1)SCC(C)O)Cl 62a_100011218427_100010210167 [0,2,0,0,0,0|2,0,0]=4 21027 B13R1.893 Cc1cnc(c(c1)SCC(C)O)F 62a_100000049784_100011218427 [0,2,0,0,0,0|2,0,0]=4 21028 B13R1.893 Cc1cnc(c(c1)SCC(C)O)F 62a_100011218427_100000049784 [0,2,0,0,0,0|2,0,0]=4 21029 B13R1.893 Cc1cnc(c(c1)SCC(C)O)N 62a_100000049664_100011218427 [0,2,0,0,0,0|2,0,0]=4 21030 B13R1.893 Cc1cnc(c(c1)SCC(C)O)N 62a_100011218427_100000049664 [0,2,0,0,0,0|2,0,0]=4 21031 B13R1.893 Cc1cnc(c(c1)SCC(C)O)O 62a_100000719714_100011218427 [0,2,0,0,0,0|2,0,0]=4 21032 B13R1.893 Cc1cnc(c(c1)SCC(C)O)O 62a_100011218427_100000719714 [0,2,0,0,0,0|2,0,0]=4 21033 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)C 62a_100009817436_100009817552 [0,2,0,0,0,0|2,0,0]=4 21034 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)C 62a_100009817552_100009817436 [0,2,0,0,0,0|2,0,0]=4 21035 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)Cl 62a_100009817552_100010210167 [0,2,0,0,0,0|2,0,0]=4 21036 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)Cl 62a_100010210167_100009817552 [0,2,0,0,0,0|2,0,0]=4 21037 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)F 62a_100000049784_100009817552 [0,2,0,0,0,0|2,0,0]=4 21038 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)F 62a_100009817552_100000049784 [0,2,0,0,0,0|2,0,0]=4 21039 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)N 62a_100000049664_100009817552 [0,2,0,0,0,0|2,0,0]=4 21040 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)N 62a_100009817552_100000049664 [0,2,0,0,0,0|2,0,0]=4 21041 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)O 62a_100000719714_100009817552 [0,2,0,0,0,0|2,0,0]=4 21042 B13R1.893 Cc1cnc(c(c1)SC[C@@H](C)O)O 62a_100009817552_100000719714 [0,2,0,0,0,0|2,0,0]=4 21043 B13R1.893 Cc1cnc(cc1NCC(C)O)F 27a_100000210904_100000049870 [0,2,0,0,0,0|2,0,0]=4 21044 B13R1.893 Cc1cnc(cc1OCC(C)O)Br 34a_100000704368_100011218427 [0,2,0,0,0,0|2,0,0]=4 21045 B13R1.893 Cc1cnc(cc1OCC(C)O)Br 7a_100000704368_100011218427 [0,2,0,0,0,0|2,0,0]=4 21046 B13R1.893 Cc1cnc(cc1OC[C@@H](C)O)Br 34a_100000704368_100009817552 [0,2,0,0,0,0|2,0,0]=4 21047 B13R1.893 Cc1cnc(cc1OC[C@@H](C)O)Br 7a_100000704368_100009817552 [0,2,0,0,0,0|2,0,0]=4 21048 B13R1.893 Cc1cnc(cc1SCC(C)O)Br 62a_100010067628_100011218427 [0,2,0,0,0,0|2,0,0]=4 21049 B13R1.893 Cc1cnc(cc1SCC(C)O)Br 62a_100011218427_100010067628 [0,2,0,0,0,0|2,0,0]=4 21050 B13R1.893 Cc1cnc(cc1SCC(C)O)Cl 62a_100010068021_100011218427 [0,2,0,0,0,0|2,0,0]=4 21051 B13R1.893 Cc1cnc(cc1SCC(C)O)Cl 62a_100011218427_100010068021 [0,2,0,0,0,0|2,0,0]=4 21052 B13R1.893 Cc1cnc(cc1SCC(C)O)F 62a_100000049870_100011218427 [0,2,0,0,0,0|2,0,0]=4 21053 B13R1.893 Cc1cnc(cc1SCC(C)O)F 62a_100011218427_100000049870 [0,2,0,0,0,0|2,0,0]=4 21054 B13R1.893 Cc1cnc(cc1SCC(C)O)N 62a_100009819938_100011218427 [0,2,0,0,0,0|2,0,0]=4 21055 B13R1.893 Cc1cnc(cc1SCC(C)O)N 62a_100011218427_100009819938 [0,2,0,0,0,0|2,0,0]=4 21056 B13R1.893 Cc1cnc(cc1SCC(C)O)O 62a_100009831917_100011218427 [0,2,0,0,0,0|2,0,0]=4 21057 B13R1.893 Cc1cnc(cc1SCC(C)O)O 62a_100011218427_100009831917 [0,2,0,0,0,0|2,0,0]=4 21058 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)Br 62a_100009817552_100010067628 [0,2,0,0,0,0|2,0,0]=4 21059 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)Br 62a_100010067628_100009817552 [0,2,0,0,0,0|2,0,0]=4 21060 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)Cl 62a_100009817552_100010068021 [0,2,0,0,0,0|2,0,0]=4 21061 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)Cl 62a_100010068021_100009817552 [0,2,0,0,0,0|2,0,0]=4 21062 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)F 62a_100000049870_100009817552 [0,2,0,0,0,0|2,0,0]=4 21063 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)F 62a_100009817552_100000049870 [0,2,0,0,0,0|2,0,0]=4 21064 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)N 62a_100009817552_100009819938 [0,2,0,0,0,0|2,0,0]=4 21065 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)N 62a_100009819938_100009817552 [0,2,0,0,0,0|2,0,0]=4 21066 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)O 62a_100009817552_100009831917 [0,2,0,0,0,0|2,0,0]=4 21067 B13R1.893 Cc1cnc(cc1SC[C@@H](C)O)O 62a_100009831917_100009817552 [0,2,0,0,0,0|2,0,0]=4 21068 B13R1.893 Cc1ncc(cc1OCC(C)O)Br 34a_100009864810_100011218427 [0,2,0,0,0,0|2,0,0]=4 21069 B13R1.893 Cc1ncc(cc1OCC(C)O)Br 7a_100009864810_100011218427 [0,2,0,0,0,0|2,0,0]=4 21070 B13R1.893 Cc1ncc(cc1OC[C@@H](C)O)Br 34a_100009864810_100009817552 [0,2,0,0,0,0|2,0,0]=4 21071 B13R1.893 Cc1ncc(cc1OC[C@@H](C)O)Br 7a_100009864810_100009817552 [0,2,0,0,0,0|2,0,0]=4 21072 B13R1.893 Cc1ncc(cc1SCC(C)O)Br 62a_100011218427_200010090566 [0,2,0,0,0,0|2,0,0]=4 21073 B13R1.893 Cc1ncc(cc1SCC(C)O)Br 62a_200010090566_100011218427 [0,2,0,0,0,0|2,0,0]=4 21074 B13R1.893 Cc1ncc(cc1SCC(C)O)F 62a_100009860710_100011218427 [0,2,0,0,0,0|2,0,0]=4 21075 B13R1.893 Cc1ncc(cc1SCC(C)O)F 62a_100011218427_100009860710 [0,2,0,0,0,0|2,0,0]=4 21076 B13R1.893 Cc1ncc(cc1SCC(C)O)N 62a_100011218427_100011998591 [0,2,0,0,0,0|2,0,0]=4 21077 B13R1.893 Cc1ncc(cc1SCC(C)O)N 62a_100011998591_100011218427 [0,2,0,0,0,0|2,0,0]=4 21078 B13R1.893 Cc1ncc(cc1SCC(C)O)O 62a_100009819603_100011218427 [0,2,0,0,0,0|2,0,0]=4 21079 B13R1.893 Cc1ncc(cc1SCC(C)O)O 62a_100011218427_100009819603 [0,2,0,0,0,0|2,0,0]=4 21080 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)Br 62a_100009817552_200010090566 [0,2,0,0,0,0|2,0,0]=4 21081 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)Br 62a_200010090566_100009817552 [0,2,0,0,0,0|2,0,0]=4 21082 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)F 62a_100009817552_100009860710 [0,2,0,0,0,0|2,0,0]=4 21083 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)F 62a_100009860710_100009817552 [0,2,0,0,0,0|2,0,0]=4 21084 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)N 62a_100009817552_100011998591 [0,2,0,0,0,0|2,0,0]=4 21085 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)N 62a_100011998591_100009817552 [0,2,0,0,0,0|2,0,0]=4 21086 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)O 62a_100009817552_100009819603 [0,2,0,0,0,0|2,0,0]=4 21087 B13R1.893 Cc1ncc(cc1SC[C@@H](C)O)O 62a_100009819603_100009817552 [0,2,0,0,0,0|2,0,0]=4 21088 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200025704644 [0,2,0,0,0,0|0,0,2]=4 21089 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200025704644 [0,2,0,0,0,0|0,0,2]=4 21090 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200025704644 [0,2,0,0,0,0|0,0,2]=4 21091 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200025704644 [0,2,0,0,0,0|0,0,2]=4 21092 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200025704644 [0,2,0,0,0,0|0,0,2]=4 21093 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200025704644 [0,2,0,0,0,0|0,0,2]=4 21094 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)F 1458a_100000744313_200025704644 [0,2,0,0,0,0|0,0,2]=4 21095 B13R1.3787 CC(=O)CCc1c(cccc1C)C 1458a_200011998103_200000210301 [0,2,0,0,0,0|0,0,2]=4 21096 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100000070787_100012161200 [0,2,0,0,0,0|0,0,2]=4 21097 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200000210301 [0,2,0,0,0,0|0,0,2]=4 21098 B13R1.3787 CC(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200000210301 [0,2,0,0,0,0|0,0,2]=4 21099 B13R1.3787 CC(=O)CCc1c(cccc1F)F 1458a_100000738981_200000210301 [0,2,0,0,0,0|0,0,2]=4 21100 B13R1.3787 CC(C)CNc1c(cccc1Br)Br 34a_100000690995_100000210624 [0,2,0,0,0,0|2,0,0]=4 21101 B13R1.3787 CC(C)CNc1c(cccc1Br)Cl 34a_100102946385_100000210624 [0,2,0,0,0,0|2,0,0]=4 21102 B13R1.3787 CC(C)CNc1c(cccc1Br)F 34a_100000684712_100000210624 [0,2,0,0,0,0|2,0,0]=4 21103 B13R1.3787 CC(C)CNc1c(cccc1Br)O 34a_100011934926_100000210624 [0,2,0,0,0,0|2,0,0]=4 21104 B13R1.3787 CC(C)CNc1c(cccc1Cl)Cl 34a_100000210028_100000210624 [0,2,0,0,0,0|2,0,0]=4 21105 B13R1.3787 CC(C)CNc1c(cccc1Cl)F 34a_100000760031_100000210624 [0,2,0,0,0,0|2,0,0]=4 21106 B13R1.3787 CC(C)CNc1c(cccc1Cl)O 34a_100012022510_100000210624 [0,2,0,0,0,0|2,0,0]=4 21107 B13R1.3787 CC(C)CNc1c(cccc1F)F 2230a_100000210704_100000210760 [0,2,0,0,0,0|2,0,0]=4 21108 B13R1.3787 CC(C)CNc1c(cccc1F)F 34a_100000210704_100000210624 [0,2,0,0,0,0|2,0,0]=4 21109 B13R1.3787 CC(C)CNc1c(cccc1F)O 34a_100020591140_100000210624 [0,2,0,0,0,0|2,0,0]=4 21110 B13R1.3787 CC(C)CNc1c(cccc1I)F 34a_100000042321_100000210624 [0,2,0,0,0,0|2,0,0]=4 21111 B13R1.3787 CC(C)COc1c(cccc1Br)Br 34a_100000736428_100000210624 [0,2,0,0,0,0|2,0,0]=4 21112 B13R1.3787 CC(C)COc1c(cccc1Br)Br 7a_100000736428_100000210760 [0,2,0,0,0,0|2,0,0]=4 21113 B13R1.3787 CC(C)COc1c(cccc1Br)Cl 34a_100010214474_100000210624 [0,2,0,0,0,0|2,0,0]=4 21114 B13R1.3787 CC(C)COc1c(cccc1Br)Cl 7a_100010214474_100000210760 [0,2,0,0,0,0|2,0,0]=4 21115 B13R1.3787 CC(C)COc1c(cccc1Br)F 34a_100009813666_100000210624 [0,2,0,0,0,0|2,0,0]=4 21116 B13R1.3787 CC(C)COc1c(cccc1Br)F 7a_100009813666_100000210760 [0,2,0,0,0,0|2,0,0]=4 21117 B13R1.3787 CC(C)COc1c(cccc1Br)N 34a_100011934915_100000210624 [0,2,0,0,0,0|2,0,0]=4 21118 B13R1.3787 CC(C)COc1c(cccc1Cl)Cl 34a_100000211709_100000210624 [0,2,0,0,0,0|2,0,0]=4 21119 B13R1.3787 CC(C)COc1c(cccc1Cl)Cl 7a_100000211709_100000210760 [0,2,0,0,0,0|2,0,0]=4 21120 B13R1.3787 CC(C)COc1c(cccc1Cl)F 34a_100000694953_100000210624 [0,2,0,0,0,0|2,0,0]=4 21121 B13R1.3787 CC(C)COc1c(cccc1Cl)F 7a_100000694953_100000210760 [0,2,0,0,0,0|2,0,0]=4 21122 B13R1.3787 CC(C)COc1c(cccc1Cl)N 34a_100000754742_100000210624 [0,2,0,0,0,0|2,0,0]=4 21123 B13R1.3787 CC(C)COc1c(cccc1F)F 34a_100000230165_100000210624 [0,2,0,0,0,0|2,0,0]=4 21124 B13R1.3787 CC(C)COc1c(cccc1F)F 7a_100000230165_100000210760 [0,2,0,0,0,0|2,0,0]=4 21125 B13R1.3787 CC(C)COc1c(cccc1F)N 34a_100011934987_100000210624 [0,2,0,0,0,0|2,0,0]=4 21126 B13R1.3787 CC(C)COc1c(cccc1I)Br 34a_100010084509_100000210624 [0,2,0,0,0,0|2,0,0]=4 21127 B13R1.3787 CC(C)COc1c(cccc1I)Br 7a_100010084509_100000210760 [0,2,0,0,0,0|2,0,0]=4 21128 B13R1.3787 CC(C)COc1c(cccc1I)Cl 34a_100010202889_100000210624 [0,2,0,0,0,0|2,0,0]=4 21129 B13R1.3787 CC(C)COc1c(cccc1I)Cl 7a_100010202889_100000210760 [0,2,0,0,0,0|2,0,0]=4 21130 B13R1.3787 CC(C)COc1c(cccc1I)F 34a_100010186298_100000210624 [0,2,0,0,0,0|2,0,0]=4 21131 B13R1.3787 CC(C)COc1c(cccc1I)F 7a_100010186298_100000210760 [0,2,0,0,0,0|2,0,0]=4 21132 B13R1.3787 CC(C)COc1c(cccc1I)N 34a_100010084371_100000210624 [0,2,0,0,0,0|2,0,0]=4 21133 B13R1.3787 CC(C)COc1c(cccc1N)N 34a_200016994477_100000210624 [0,2,0,0,0,0|2,0,0]=4 21134 B13R1.3787 CC(C)CSc1c(cccc1Br)Br 62a_100000210624_100009994525 [0,2,0,0,0,0|2,0,0]=4 21135 B13R1.3787 CC(C)CSc1c(cccc1Br)Br 62a_100009994525_100000210760 [0,2,0,0,0,0|2,0,0]=4 21136 B13R1.3787 CC(C)CSc1c(cccc1Br)Cl 62a_100000210624_100010214488 [0,2,0,0,0,0|2,0,0]=4 21137 B13R1.3787 CC(C)CSc1c(cccc1Br)Cl 62a_100010214488_100000210760 [0,2,0,0,0,0|2,0,0]=4 21138 B13R1.3787 CC(C)CSc1c(cccc1Br)F 62a_100000210624_100011219512 [0,2,0,0,0,0|2,0,0]=4 21139 B13R1.3787 CC(C)CSc1c(cccc1Br)F 62a_100011219512_100000210760 [0,2,0,0,0,0|2,0,0]=4 21140 B13R1.3787 CC(C)CSc1c(cccc1Br)N 62a_100000210624_100020590159 [0,2,0,0,0,0|2,0,0]=4 21141 B13R1.3787 CC(C)CSc1c(cccc1Br)N 62a_100020590159_100000210760 [0,2,0,0,0,0|2,0,0]=4 21142 B13R1.3787 CC(C)CSc1c(cccc1Br)O 62a_100000210624_100010187912 [0,2,0,0,0,0|2,0,0]=4 21143 B13R1.3787 CC(C)CSc1c(cccc1Br)O 62a_100010187912_100000210760 [0,2,0,0,0,0|2,0,0]=4 21144 B13R1.3787 CC(C)CSc1c(cccc1Cl)Cl 62a_100000034237_100000210760 [0,2,0,0,0,0|2,0,0]=4 21145 B13R1.3787 CC(C)CSc1c(cccc1Cl)Cl 62a_100000210624_100000034237 [0,2,0,0,0,0|2,0,0]=4 21146 B13R1.3787 CC(C)CSc1c(cccc1Cl)F 62a_100000050007_100000210760 [0,2,0,0,0,0|2,0,0]=4 21147 B13R1.3787 CC(C)CSc1c(cccc1Cl)F 62a_100000210624_100000050007 [0,2,0,0,0,0|2,0,0]=4 21148 B13R1.3787 CC(C)CSc1c(cccc1Cl)N 62a_100000049713_100000210760 [0,2,0,0,0,0|2,0,0]=4 21149 B13R1.3787 CC(C)CSc1c(cccc1Cl)N 62a_100000210624_100000049713 [0,2,0,0,0,0|2,0,0]=4 21150 B13R1.3787 CC(C)CSc1c(cccc1Cl)O 62a_100000210624_100000050174 [0,2,0,0,0,0|2,0,0]=4 21151 B13R1.3787 CC(C)CSc1c(cccc1F)F 62a_100000210624_100000693133 [0,2,0,0,0,0|2,0,0]=4 21152 B13R1.3787 CC(C)CSc1c(cccc1F)F 62a_100000693133_100000210760 [0,2,0,0,0,0|2,0,0]=4 21153 B13R1.3787 CC(C)CSc1c(cccc1F)N 62a_100000210624_100000690935 [0,2,0,0,0,0|2,0,0]=4 21154 B13R1.3787 CC(C)CSc1c(cccc1F)N 62a_100000690935_100000210760 [0,2,0,0,0,0|2,0,0]=4 21155 B13R1.3787 CC(C)CSc1c(cccc1F)O 62a_100000210624_100009820682 [0,2,0,0,0,0|2,0,0]=4 21156 B13R1.3787 CC(C)CSc1c(cccc1F)O 62a_100009820682_100000210760 [0,2,0,0,0,0|2,0,0]=4 21157 B13R1.3787 CC(C)CSc1c(cccc1O)N 62a_100000210624_100012183704 [0,2,0,0,0,0|2,0,0]=4 21158 B13R1.3787 CC(C)CSc1c(cccc1O)N 62a_100012183704_100000210760 [0,2,0,0,0,0|2,0,0]=4 21159 B13R1.3787 CC(C)CSc1c(cccc1O)O 62a_100000210624_100010205330 [0,2,0,0,0,0|2,0,0]=4 21160 B13R1.3787 CC(C)NCc1c(cccc1Br)Br 207a_100138425928_100010233043 [0,2,0,0,0,0|2,0,0]=4 21161 B13R1.3787 CC(C)NCc1c(cccc1Br)Cl 207a_100138425928_100011249081 [0,2,0,0,0,0|2,0,0]=4 21162 B13R1.3787 CC(C)NCc1c(cccc1Br)Cl 2230a_100138425928_100010138402 [0,2,0,0,0,0|2,0,0]=4 21163 B13R1.3787 CC(C)NCc1c(cccc1Br)Cl 34a_100138425928_100010138402 [0,2,0,0,0,0|2,0,0]=4 21164 B13R1.3787 CC(C)NCc1c(cccc1Br)F 207a_100138425928_100000752695 [0,2,0,0,0,0|2,0,0]=4 21165 B13R1.3787 CC(C)NCc1c(cccc1Br)F 2230a_100138425928_100012145669 [0,2,0,0,0,0|2,0,0]=4 21166 B13R1.3787 CC(C)NCc1c(cccc1Br)F 34a_100012349121_100000210206 [0,2,0,0,0,0|2,0,0]=4 21167 B13R1.3787 CC(C)NCc1c(cccc1Br)F 34a_100138425928_100012145669 [0,2,0,0,0,0|2,0,0]=4 21168 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 207a_100138425928_100000189306 [0,2,0,0,0,0|2,0,0]=4 21169 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 2230a_100000174884_100000210206 [0,2,0,0,0,0|2,0,0]=4 21170 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 2230a_100138425928_100000187851 [0,2,0,0,0,0|2,0,0]=4 21171 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 34a_100000174884_100000210206 [0,2,0,0,0,0|2,0,0]=4 21172 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 34a_100138425928_100000187851 [0,2,0,0,0,0|2,0,0]=4 21173 B13R1.3787 CC(C)NCc1c(cccc1Cl)F 207a_100138425928_100000210083 [0,2,0,0,0,0|2,0,0]=4 21174 B13R1.3787 CC(C)NCc1c(cccc1Cl)F 2230a_100138425928_100000187852 [0,2,0,0,0,0|2,0,0]=4 21175 B13R1.3787 CC(C)NCc1c(cccc1Cl)F 34a_100000174883_100000210206 [0,2,0,0,0,0|2,0,0]=4 21176 B13R1.3787 CC(C)NCc1c(cccc1Cl)F 34a_100138425928_100000187852 [0,2,0,0,0,0|2,0,0]=4 21177 B13R1.3787 CC(C)NCc1c(cccc1F)F 207a_100138425928_100000211061 [0,2,0,0,0,0|2,0,0]=4 21178 B13R1.3787 CC(C)NCc1c(cccc1F)F 2230a_100138425928_100000698325 [0,2,0,0,0,0|2,0,0]=4 21179 B13R1.3787 CC(C)NCc1c(cccc1F)F 34a_100000688400_100000210206 [0,2,0,0,0,0|2,0,0]=4 21180 B13R1.3787 CC(C)NCc1c(cccc1F)F 34a_100138425928_100000698325 [0,2,0,0,0,0|2,0,0]=4 21181 B13R1.3787 CC(C)NCc1c(cccc1I)Br 2230a_100138425928_100010146611 [0,2,0,0,0,0|2,0,0]=4 21182 B13R1.3787 CC(C)NCc1c(cccc1I)Br 34a_100138425928_100010146611 [0,2,0,0,0,0|2,0,0]=4 21183 B13R1.3787 CC(C)NCc1c(cccc1I)Cl 207a_100138425928_100010147682 [0,2,0,0,0,0|2,0,0]=4 21184 B13R1.3787 CC(C)NCc1c(cccc1I)F 207a_100138425928_100010178011 [0,2,0,0,0,0|2,0,0]=4 21185 B13R1.3787 CC(C)NCc1c(cccc1I)F 2230a_100138425928_100010149602 [0,2,0,0,0,0|2,0,0]=4 21186 B13R1.3787 CC(C)NCc1c(cccc1I)F 34a_100138425928_100010149602 [0,2,0,0,0,0|2,0,0]=4 21187 B13R1.3787 CC(C)OCc1c(cccc1Br)Br 34a_100010172814_100000210206 [0,2,0,0,0,0|2,0,0]=4 21188 B13R1.3787 CC(C)OCc1c(cccc1Br)Br 7a_100010172814_100000210206 [0,2,0,0,0,0|2,0,0]=4 21189 B13R1.3787 CC(C)OCc1c(cccc1Br)Cl 34a_100000212225_100010138402 [0,2,0,0,0,0|2,0,0]=4 21190 B13R1.3787 CC(C)OCc1c(cccc1Br)F 34a_100000212225_100012145669 [0,2,0,0,0,0|2,0,0]=4 21191 B13R1.3787 CC(C)OCc1c(cccc1Br)F 34a_100012355691_100000210206 [0,2,0,0,0,0|2,0,0]=4 21192 B13R1.3787 CC(C)OCc1c(cccc1Br)F 7a_100012355691_100000210206 [0,2,0,0,0,0|2,0,0]=4 21193 B13R1.3787 CC(C)OCc1c(cccc1Br)N 34a_100000747656_100000210206 [0,2,0,0,0,0|2,0,0]=4 21194 B13R1.3787 CC(C)OCc1c(cccc1Cl)Cl 34a_100000212225_100000187851 [0,2,0,0,0,0|2,0,0]=4 21195 B13R1.3787 CC(C)OCc1c(cccc1Cl)Cl 34a_100000215722_100000210206 [0,2,0,0,0,0|2,0,0]=4 21196 B13R1.3787 CC(C)OCc1c(cccc1Cl)Cl 7a_100000215722_100000210206 [0,2,0,0,0,0|2,0,0]=4 21197 B13R1.3787 CC(C)OCc1c(cccc1Cl)F 34a_100000212225_100000187852 [0,2,0,0,0,0|2,0,0]=4 21198 B13R1.3787 CC(C)OCc1c(cccc1Cl)F 34a_100000215723_100000210206 [0,2,0,0,0,0|2,0,0]=4 21199 B13R1.3787 CC(C)OCc1c(cccc1Cl)F 7a_100000215723_100000210206 [0,2,0,0,0,0|2,0,0]=4 21200 B13R1.3787 CC(C)OCc1c(cccc1Cl)N 34a_100011916388_100000210206 [0,2,0,0,0,0|2,0,0]=4 21201 B13R1.3787 CC(C)OCc1c(cccc1F)F 34a_100000212225_100000698325 [0,2,0,0,0,0|2,0,0]=4 21202 B13R1.3787 CC(C)OCc1c(cccc1F)F 34a_100000698215_100000210206 [0,2,0,0,0,0|2,0,0]=4 21203 B13R1.3787 CC(C)OCc1c(cccc1F)F 7a_100000698215_100000210206 [0,2,0,0,0,0|2,0,0]=4 21204 B13R1.3787 CC(C)OCc1c(cccc1F)N 34a_100011846719_100000210206 [0,2,0,0,0,0|2,0,0]=4 21205 B13R1.3787 CC(C)OCc1c(cccc1I)Br 34a_100000212225_100010146611 [0,2,0,0,0,0|2,0,0]=4 21206 B13R1.3787 CC(C)OCc1c(cccc1I)F 34a_100000212225_100010149602 [0,2,0,0,0,0|2,0,0]=4 21207 B13R1.3787 CC(C)OCc1c(cccc1I)F 34a_100010214973_100000210206 [0,2,0,0,0,0|2,0,0]=4 21208 B13R1.3787 CC(C)OCc1c(cccc1I)F 7a_100010214973_100000210206 [0,2,0,0,0,0|2,0,0]=4 21209 B13R1.3787 CC(C)SCc1c(cccc1Br)Cl 62a_100000210206_100010138402 [0,2,0,0,0,0|2,0,0]=4 21210 B13R1.3787 CC(C)SCc1c(cccc1Br)Cl 62a_100010138402_100000210206 [0,2,0,0,0,0|2,0,0]=4 21211 B13R1.3787 CC(C)SCc1c(cccc1Br)F 62a_100000210206_100012145669 [0,2,0,0,0,0|2,0,0]=4 21212 B13R1.3787 CC(C)SCc1c(cccc1Br)F 62a_100012145669_100000210206 [0,2,0,0,0,0|2,0,0]=4 21213 B13R1.3787 CC(C)SCc1c(cccc1Cl)Cl 62a_100000187851_100000210206 [0,2,0,0,0,0|2,0,0]=4 21214 B13R1.3787 CC(C)SCc1c(cccc1Cl)Cl 62a_100000210206_100000187851 [0,2,0,0,0,0|2,0,0]=4 21215 B13R1.3787 CC(C)SCc1c(cccc1Cl)F 62a_100000187852_100000210206 [0,2,0,0,0,0|2,0,0]=4 21216 B13R1.3787 CC(C)SCc1c(cccc1Cl)F 62a_100000210206_100000187852 [0,2,0,0,0,0|2,0,0]=4 21217 B13R1.3787 CC(C)SCc1c(cccc1F)F 62a_100000210206_100000698325 [0,2,0,0,0,0|2,0,0]=4 21218 B13R1.3787 CC(C)SCc1c(cccc1F)F 62a_100000709179_100000210206 [0,2,0,0,0,0|2,0,0]=4 21219 B13R1.3787 CC(C)SCc1c(cccc1I)Br 62a_100000210206_100010146611 [0,2,0,0,0,0|2,0,0]=4 21220 B13R1.3787 CC(C)SCc1c(cccc1I)Br 62a_100010146611_100000210206 [0,2,0,0,0,0|2,0,0]=4 21221 B13R1.3787 CC(C)SCc1c(cccc1I)F 62a_100000210206_100010149602 [0,2,0,0,0,0|2,0,0]=4 21222 B13R1.3787 CC(C)SCc1c(cccc1I)F 62a_100010149602_100000210206 [0,2,0,0,0,0|2,0,0]=4 21223 B13R1.3787 CC(O)C=Cc1c(cccc1Br)Br 271570a_200011019289_100009994525 [0,2,0,0,0,0|0,0,2]=4 21224 B13R1.3787 CC(O)C=Cc1c(cccc1Br)Cl 271570a_200011019289_100010214488 [0,2,0,0,0,0|0,0,2]=4 21225 B13R1.3787 CC(O)C=Cc1c(cccc1Br)F 271570a_200011019289_100011219512 [0,2,0,0,0,0|0,0,2]=4 21226 B13R1.3787 CC(O)C=Cc1c(cccc1Br)N 271570a_200011019289_100020590159 [0,2,0,0,0,0|0,0,2]=4 21227 B13R1.3787 CC(O)C=Cc1c(cccc1Br)O 271570a_200011019289_100010187912 [0,2,0,0,0,0|0,0,2]=4 21228 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)Cl 271570a_200011019289_100000034237 [0,2,0,0,0,0|0,0,2]=4 21229 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)F 271570a_200011019289_100000050007 [0,2,0,0,0,0|0,0,2]=4 21230 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)N 271570a_200011019289_100000049713 [0,2,0,0,0,0|0,0,2]=4 21231 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)O 271570a_200011019289_100000050174 [0,2,0,0,0,0|0,0,2]=4 21232 B13R1.3787 CC(O)C=Cc1c(cccc1F)F 271570a_200011019289_100000693133 [0,2,0,0,0,0|0,0,2]=4 21233 B13R1.3787 CC(O)C=Cc1c(cccc1F)N 271570a_200011019289_100011934729 [0,2,0,0,0,0|0,0,2]=4 21234 B13R1.3787 CC(O)C=Cc1c(cccc1F)O 271570a_200011019289_100009820682 [0,2,0,0,0,0|0,0,2]=4 21235 B13R1.3787 CC(O)C=Cc1c(cccc1O)N 271570a_200011019289_100012183704 [0,2,0,0,0,0|0,0,2]=4 21236 B13R1.3787 CC(O)C=Cc1c(cccc1O)O 271570a_200011019289_100010205330 [0,2,0,0,0,0|0,0,2]=4 21237 B13R1.3787 CC(O)CNc1c(cccc1Br)Br 34a_100000690995_100011218427 [0,2,0,0,0,0|1,0,0]=3 21238 B13R1.3787 CC(O)CNc1c(cccc1Br)Cl 34a_100102946385_100011218427 [0,2,0,0,0,0|1,0,0]=3 21239 B13R1.3787 CC(O)CNc1c(cccc1Br)F 34a_100000684712_100011218427 [0,2,0,0,0,0|1,0,0]=3 21240 B13R1.3787 CC(O)CNc1c(cccc1Br)O 34a_100011934926_100011218427 [0,2,0,0,0,0|1,0,0]=3 21241 B13R1.3787 CC(O)CNc1c(cccc1Cl)Cl 34a_100000210028_100011218427 [0,2,0,0,0,0|1,0,0]=3 21242 B13R1.3787 CC(O)CNc1c(cccc1Cl)F 34a_100000760031_100011218427 [0,2,0,0,0,0|1,0,0]=3 21243 B13R1.3787 CC(O)CNc1c(cccc1Cl)O 34a_100012022510_100011218427 [0,2,0,0,0,0|1,0,0]=3 21244 B13R1.3787 CC(O)CNc1c(cccc1F)F 2230a_100000210704_100011218427 [0,2,0,0,0,0|1,0,0]=3 21245 B13R1.3787 CC(O)CNc1c(cccc1F)F 34a_100000210704_100011218427 [0,2,0,0,0,0|1,0,0]=3 21246 B13R1.3787 CC(O)CNc1c(cccc1F)O 34a_100020591140_100011218427 [0,2,0,0,0,0|1,0,0]=3 21247 B13R1.3787 CC(O)CNc1c(cccc1I)F 34a_100000042321_100011218427 [0,2,0,0,0,0|1,0,0]=3 21248 B13R1.3787 CC(O)CNc1c(ccnc1F)F 27a_100000210904_100009874084 [0,2,0,0,0,0|2,0,0]=4 21249 B13R1.3787 CC(O)COc1c(cccc1Br)Br 34a_100000736428_100011218427 [0,2,0,0,0,0|1,0,0]=3 21250 B13R1.3787 CC(O)COc1c(cccc1Br)Br 7a_100000736428_100011218427 [0,2,0,0,0,0|1,0,0]=3 21251 B13R1.3787 CC(O)COc1c(cccc1Br)Cl 34a_100010214474_100011218427 [0,2,0,0,0,0|1,0,0]=3 21252 B13R1.3787 CC(O)COc1c(cccc1Br)Cl 7a_100010214474_100011218427 [0,2,0,0,0,0|1,0,0]=3 21253 B13R1.3787 CC(O)COc1c(cccc1Br)F 34a_100009813666_100011218427 [0,2,0,0,0,0|1,0,0]=3 21254 B13R1.3787 CC(O)COc1c(cccc1Br)F 7a_100009813666_100011218427 [0,2,0,0,0,0|1,0,0]=3 21255 B13R1.3787 CC(O)COc1c(cccc1Br)N 34a_100011934915_100011218427 [0,2,0,0,0,0|1,0,0]=3 21256 B13R1.3787 CC(O)COc1c(cccc1Cl)Cl 34a_100000211709_100011218427 [0,2,0,0,0,0|1,0,0]=3 21257 B13R1.3787 CC(O)COc1c(cccc1Cl)Cl 7a_100000211709_100011218427 [0,2,0,0,0,0|1,0,0]=3 21258 B13R1.3787 CC(O)COc1c(cccc1Cl)F 34a_100000694953_100011218427 [0,2,0,0,0,0|1,0,0]=3 21259 B13R1.3787 CC(O)COc1c(cccc1Cl)F 7a_100000694953_100011218427 [0,2,0,0,0,0|1,0,0]=3 21260 B13R1.3787 CC(O)COc1c(cccc1Cl)N 34a_100000754742_100011218427 [0,2,0,0,0,0|1,0,0]=3 21261 B13R1.3787 CC(O)COc1c(cccc1F)F 34a_100000230165_100011218427 [0,2,0,0,0,0|1,0,0]=3 21262 B13R1.3787 CC(O)COc1c(cccc1F)F 7a_100000230165_100011218427 [0,2,0,0,0,0|1,0,0]=3 21263 B13R1.3787 CC(O)COc1c(cccc1F)N 34a_100011934987_100011218427 [0,2,0,0,0,0|1,0,0]=3 21264 B13R1.3787 CC(O)COc1c(cccc1I)Br 34a_100010084509_100011218427 [0,2,0,0,0,0|1,0,0]=3 21265 B13R1.3787 CC(O)COc1c(cccc1I)Br 7a_100010084509_100011218427 [0,2,0,0,0,0|1,0,0]=3 21266 B13R1.3787 CC(O)COc1c(cccc1I)Cl 34a_100010202889_100011218427 [0,2,0,0,0,0|1,0,0]=3 21267 B13R1.3787 CC(O)COc1c(cccc1I)Cl 7a_100010202889_100011218427 [0,2,0,0,0,0|1,0,0]=3 21268 B13R1.3787 CC(O)COc1c(cccc1I)F 34a_100010186298_100011218427 [0,2,0,0,0,0|1,0,0]=3 21269 B13R1.3787 CC(O)COc1c(cccc1I)F 7a_100010186298_100011218427 [0,2,0,0,0,0|1,0,0]=3 21270 B13R1.3787 CC(O)COc1c(cccc1I)N 34a_100010084371_100011218427 [0,2,0,0,0,0|1,0,0]=3 21271 B13R1.3787 CC(O)COc1c(cccc1N)N 34a_200016994477_100011218427 [0,2,0,0,0,0|1,0,0]=3 21272 B13R1.3787 CC(O)COc1c(ccnc1Cl)Cl 34a_100000118450_100011218427 [0,2,0,0,0,0|2,0,0]=4 21273 B13R1.3787 CC(O)COc1c(ccnc1Cl)Cl 7a_100000118450_100011218427 [0,2,0,0,0,0|2,0,0]=4 21274 B13R1.3787 CC(O)COc1c(ccnc1Cl)F 34a_100009867227_100011218427 [0,2,0,0,0,0|2,0,0]=4 21275 B13R1.3787 CC(O)COc1c(ccnc1Cl)F 7a_100009867227_100011218427 [0,2,0,0,0,0|2,0,0]=4 21276 B13R1.3787 CC(O)COc1c(ccnc1Cl)I 34a_100010067911_100011218427 [0,2,0,0,0,0|2,0,0]=4 21277 B13R1.3787 CC(O)COc1c(ccnc1Cl)I 7a_100010067911_100011218427 [0,2,0,0,0,0|2,0,0]=4 21278 B13R1.3787 CC(O)COc1c(ccnc1Cl)N 34a_100009844647_100011218427 [0,2,0,0,0,0|2,0,0]=4 21279 B13R1.3787 CC(O)COc1c(ccnc1Cl)N 7a_100009844647_100011218427 [0,2,0,0,0,0|2,0,0]=4 21280 B13R1.3787 CC(O)CSc1c(cccc1Br)Br 62a_100009994525_100011218427 [0,2,0,0,0,0|1,0,0]=3 21281 B13R1.3787 CC(O)CSc1c(cccc1Br)Br 62a_100011218427_100009994525 [0,2,0,0,0,0|1,0,0]=3 21282 B13R1.3787 CC(O)CSc1c(cccc1Br)Cl 62a_100010214488_100011218427 [0,2,0,0,0,0|1,0,0]=3 21283 B13R1.3787 CC(O)CSc1c(cccc1Br)Cl 62a_100011218427_100010214488 [0,2,0,0,0,0|1,0,0]=3 21284 B13R1.3787 CC(O)CSc1c(cccc1Br)F 62a_100011218427_100011219512 [0,2,0,0,0,0|1,0,0]=3 21285 B13R1.3787 CC(O)CSc1c(cccc1Br)F 62a_100011219512_100011218427 [0,2,0,0,0,0|1,0,0]=3 21286 B13R1.3787 CC(O)CSc1c(cccc1Br)N 62a_100011218427_100020590159 [0,2,0,0,0,0|1,0,0]=3 21287 B13R1.3787 CC(O)CSc1c(cccc1Br)N 62a_100020590159_100011218427 [0,2,0,0,0,0|1,0,0]=3 21288 B13R1.3787 CC(O)CSc1c(cccc1Br)O 62a_100010187912_100011218427 [0,2,0,0,0,0|1,0,0]=3 21289 B13R1.3787 CC(O)CSc1c(cccc1Br)O 62a_100011218427_100010187912 [0,2,0,0,0,0|1,0,0]=3 21290 B13R1.3787 CC(O)CSc1c(cccc1Cl)Cl 62a_100000034237_100011218427 [0,2,0,0,0,0|1,0,0]=3 21291 B13R1.3787 CC(O)CSc1c(cccc1Cl)Cl 62a_100011218427_100000034237 [0,2,0,0,0,0|1,0,0]=3 21292 B13R1.3787 CC(O)CSc1c(cccc1Cl)F 62a_100000050007_100011218427 [0,2,0,0,0,0|1,0,0]=3 21293 B13R1.3787 CC(O)CSc1c(cccc1Cl)F 62a_100011218427_100000050007 [0,2,0,0,0,0|1,0,0]=3 21294 B13R1.3787 CC(O)CSc1c(cccc1Cl)N 62a_100000049713_100011218427 [0,2,0,0,0,0|1,0,0]=3 21295 B13R1.3787 CC(O)CSc1c(cccc1Cl)N 62a_100011218427_100000049713 [0,2,0,0,0,0|1,0,0]=3 21296 B13R1.3787 CC(O)CSc1c(cccc1Cl)O 62a_100011218427_100000050174 [0,2,0,0,0,0|1,0,0]=3 21297 B13R1.3787 CC(O)CSc1c(cccc1F)F 62a_100000693133_100011218427 [0,2,0,0,0,0|1,0,0]=3 21298 B13R1.3787 CC(O)CSc1c(cccc1F)F 62a_100011218427_100000693133 [0,2,0,0,0,0|1,0,0]=3 21299 B13R1.3787 CC(O)CSc1c(cccc1F)N 62a_100000690935_100011218427 [0,2,0,0,0,0|1,0,0]=3 21300 B13R1.3787 CC(O)CSc1c(cccc1F)N 62a_100011218427_100000690935 [0,2,0,0,0,0|1,0,0]=3 21301 B13R1.3787 CC(O)CSc1c(cccc1F)O 62a_100009820682_100011218427 [0,2,0,0,0,0|1,0,0]=3 21302 B13R1.3787 CC(O)CSc1c(cccc1F)O 62a_100011218427_100009820682 [0,2,0,0,0,0|1,0,0]=3 21303 B13R1.3787 CC(O)CSc1c(cccc1O)N 62a_100011218427_100012183704 [0,2,0,0,0,0|1,0,0]=3 21304 B13R1.3787 CC(O)CSc1c(cccc1O)N 62a_100012183704_100011218427 [0,2,0,0,0,0|1,0,0]=3 21305 B13R1.3787 CC(O)CSc1c(cccc1O)O 62a_100011218427_100010205330 [0,2,0,0,0,0|1,0,0]=3 21306 B13R1.3787 CC(O)CSc1c(ccnc1Cl)Br 62a_100009814607_100011218427 [0,2,0,0,0,0|2,0,0]=4 21307 B13R1.3787 CC(O)CSc1c(ccnc1Cl)Br 62a_100011218427_100009814607 [0,2,0,0,0,0|2,0,0]=4 21308 B13R1.3787 CC(O)CSc1c(ccnc1Cl)Cl 62a_100000050019_100011218427 [0,2,0,0,0,0|2,0,0]=4 21309 B13R1.3787 CC(O)CSc1c(ccnc1Cl)Cl 62a_100011218427_100000050019 [0,2,0,0,0,0|2,0,0]=4 21310 B13R1.3787 CC(O)CSc1c(ccnc1Cl)F 62a_100000716511_100011218427 [0,2,0,0,0,0|2,0,0]=4 21311 B13R1.3787 CC(O)CSc1c(ccnc1Cl)F 62a_100011218427_100000716511 [0,2,0,0,0,0|2,0,0]=4 21312 B13R1.3787 CC(O)CSc1c(ccnc1Cl)N 62a_100010208016_100011218427 [0,2,0,0,0,0|2,0,0]=4 21313 B13R1.3787 CC(O)CSc1c(ccnc1Cl)N 62a_100011218427_100010208016 [0,2,0,0,0,0|2,0,0]=4 21314 B13R1.3787 CC(O)CSc1c(ccnc1F)F 62a_100009874084_100011218427 [0,2,0,0,0,0|2,0,0]=4 21315 B13R1.3787 CC(O)CSc1c(ccnc1F)F 62a_100011218427_100009874084 [0,2,0,0,0,0|2,0,0]=4 21316 B13R1.3787 CC(O)CSc1c(ccnc1F)N 62a_100010381272_100011218427 [0,2,0,0,0,0|2,0,0]=4 21317 B13R1.3787 CC(O)CSc1c(ccnc1F)N 62a_100011218427_100010381272 [0,2,0,0,0,0|2,0,0]=4 21318 B13R1.3787 CC(O)CSc1c(ccnc1N)Cl 62a_100010199028_100011218427 [0,2,0,0,0,0|2,0,0]=4 21319 B13R1.3787 CC(O)CSc1c(ccnc1N)Cl 62a_100011218427_100010199028 [0,2,0,0,0,0|2,0,0]=4 21320 B13R1.3787 CC(O)CSc1c(ccnc1O)O 62a_100011218427_200009817435 [0,2,0,0,0,0|2,0,0]=4 21321 B13R1.3787 CC(O)CSc1c(cncc1Br)Br 62a_100010172828_100011218427 [0,2,0,0,0,0|2,0,0]=4 21322 B13R1.3787 CC(O)CSc1c(cncc1Br)Br 62a_100011218427_100010172828 [0,2,0,0,0,0|2,0,0]=4 21323 B13R1.3787 CC(O)CSc1c(cncc1Cl)Cl 62a_100000036193_100011218427 [0,2,0,0,0,0|2,0,0]=4 21324 B13R1.3787 CC(O)CSc1c(cncc1Cl)Cl 62a_100011218427_100000036193 [0,2,0,0,0,0|2,0,0]=4 21325 B13R1.3787 CC(O)CSc1c(cncc1F)F 62a_100000760538_100011218427 [0,2,0,0,0,0|2,0,0]=4 21326 B13R1.3787 CC(O)CSc1c(cncc1F)F 62a_100011218427_100000760538 [0,2,0,0,0,0|2,0,0]=4 21327 B13R1.3787 CN(C)CCc1c(cccc1Cl)Cl 2230a_100102631434_100012161200 [0,2,0,0,0,0|2,0,0]=4 21328 B13R1.3787 CN(C)CCc1c(cccc1Cl)Cl 269982a_100102631434_100012161200 [0,2,0,0,0,0|2,0,0]=4 21329 B13R1.3787 C[C@@H](O)CNc1c(cccc1Br)Br 34a_100000690995_100009817552 [0,2,0,0,0,0|1,0,0]=3 21330 B13R1.3787 C[C@@H](O)CNc1c(cccc1Br)Cl 34a_100102946385_100009817552 [0,2,0,0,0,0|1,0,0]=3 21331 B13R1.3787 C[C@@H](O)CNc1c(cccc1Br)F 34a_100000684712_100009817552 [0,2,0,0,0,0|1,0,0]=3 21332 B13R1.3787 C[C@@H](O)CNc1c(cccc1Br)O 34a_100011934926_100009817552 [0,2,0,0,0,0|1,0,0]=3 21333 B13R1.3787 C[C@@H](O)CNc1c(cccc1Cl)Cl 34a_100000210028_100009817552 [0,2,0,0,0,0|1,0,0]=3 21334 B13R1.3787 C[C@@H](O)CNc1c(cccc1Cl)F 34a_100000760031_100009817552 [0,2,0,0,0,0|1,0,0]=3 21335 B13R1.3787 C[C@@H](O)CNc1c(cccc1Cl)O 34a_100012022510_100009817552 [0,2,0,0,0,0|1,0,0]=3 21336 B13R1.3787 C[C@@H](O)CNc1c(cccc1F)F 2230a_100000210704_100009817552 [0,2,0,0,0,0|1,0,0]=3 21337 B13R1.3787 C[C@@H](O)CNc1c(cccc1F)F 34a_100000210704_100009817552 [0,2,0,0,0,0|1,0,0]=3 21338 B13R1.3787 C[C@@H](O)CNc1c(cccc1F)O 34a_100020591140_100009817552 [0,2,0,0,0,0|1,0,0]=3 21339 B13R1.3787 C[C@@H](O)CNc1c(cccc1I)F 34a_100000042321_100009817552 [0,2,0,0,0,0|1,0,0]=3 21340 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Br 34a_100000736428_100009817552 [0,2,0,0,0,0|1,0,0]=3 21341 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Br 7a_100000736428_100009817552 [0,2,0,0,0,0|1,0,0]=3 21342 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Cl 34a_100010214474_100009817552 [0,2,0,0,0,0|1,0,0]=3 21343 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Cl 7a_100010214474_100009817552 [0,2,0,0,0,0|1,0,0]=3 21344 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)F 34a_100009813666_100009817552 [0,2,0,0,0,0|1,0,0]=3 21345 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)F 7a_100009813666_100009817552 [0,2,0,0,0,0|1,0,0]=3 21346 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)N 34a_100011934915_100009817552 [0,2,0,0,0,0|1,0,0]=3 21347 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)Cl 34a_100000211709_100009817552 [0,2,0,0,0,0|1,0,0]=3 21348 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)Cl 7a_100000211709_100009817552 [0,2,0,0,0,0|1,0,0]=3 21349 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)F 34a_100000694953_100009817552 [0,2,0,0,0,0|1,0,0]=3 21350 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)F 7a_100000694953_100009817552 [0,2,0,0,0,0|1,0,0]=3 21351 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)N 34a_100000754742_100009817552 [0,2,0,0,0,0|1,0,0]=3 21352 B13R1.3787 C[C@@H](O)COc1c(cccc1F)F 34a_100000230165_100009817552 [0,2,0,0,0,0|1,0,0]=3 21353 B13R1.3787 C[C@@H](O)COc1c(cccc1F)F 7a_100000230165_100009817552 [0,2,0,0,0,0|1,0,0]=3 21354 B13R1.3787 C[C@@H](O)COc1c(cccc1F)N 34a_100011934987_100009817552 [0,2,0,0,0,0|1,0,0]=3 21355 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Br 34a_100010084509_100009817552 [0,2,0,0,0,0|1,0,0]=3 21356 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Br 7a_100010084509_100009817552 [0,2,0,0,0,0|1,0,0]=3 21357 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Cl 34a_100010202889_100009817552 [0,2,0,0,0,0|1,0,0]=3 21358 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Cl 7a_100010202889_100009817552 [0,2,0,0,0,0|1,0,0]=3 21359 B13R1.3787 C[C@@H](O)COc1c(cccc1I)F 34a_100010186298_100009817552 [0,2,0,0,0,0|1,0,0]=3 21360 B13R1.3787 C[C@@H](O)COc1c(cccc1I)F 7a_100010186298_100009817552 [0,2,0,0,0,0|1,0,0]=3 21361 B13R1.3787 C[C@@H](O)COc1c(cccc1I)N 34a_100010084371_100009817552 [0,2,0,0,0,0|1,0,0]=3 21362 B13R1.3787 C[C@@H](O)COc1c(cccc1N)N 34a_200016994477_100009817552 [0,2,0,0,0,0|1,0,0]=3 21363 B13R1.3787 C[C@@H](O)COc1c(ccnc1Cl)Cl 34a_100000118450_100009817552 [0,2,0,0,0,0|2,0,0]=4 21364 B13R1.3787 C[C@@H](O)COc1c(ccnc1Cl)Cl 7a_100000118450_100009817552 [0,2,0,0,0,0|2,0,0]=4 21365 B13R1.3787 C[C@@H](O)COc1c(ccnc1Cl)F 34a_100009867227_100009817552 [0,2,0,0,0,0|2,0,0]=4 21366 B13R1.3787 C[C@@H](O)COc1c(ccnc1Cl)F 7a_100009867227_100009817552 [0,2,0,0,0,0|2,0,0]=4 21367 B13R1.3787 C[C@@H](O)COc1c(ccnc1Cl)I 34a_100010067911_100009817552 [0,2,0,0,0,0|2,0,0]=4 21368 B13R1.3787 C[C@@H](O)COc1c(ccnc1Cl)I 7a_100010067911_100009817552 [0,2,0,0,0,0|2,0,0]=4 21369 B13R1.3787 C[C@@H](O)COc1c(ccnc1Cl)N 34a_100009844647_100009817552 [0,2,0,0,0,0|2,0,0]=4 21370 B13R1.3787 C[C@@H](O)COc1c(ccnc1Cl)N 7a_100009844647_100009817552 [0,2,0,0,0,0|2,0,0]=4 21371 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)Br 62a_100009817552_100009994525 [0,2,0,0,0,0|1,0,0]=3 21372 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)Br 62a_100009994525_100009817552 [0,2,0,0,0,0|1,0,0]=3 21373 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)Cl 62a_100009817552_100010214488 [0,2,0,0,0,0|1,0,0]=3 21374 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)Cl 62a_100010214488_100009817552 [0,2,0,0,0,0|1,0,0]=3 21375 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)F 62a_100009817552_100011219512 [0,2,0,0,0,0|1,0,0]=3 21376 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)F 62a_100011219512_100009817552 [0,2,0,0,0,0|1,0,0]=3 21377 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)N 62a_100009817552_100020590159 [0,2,0,0,0,0|1,0,0]=3 21378 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)N 62a_100020590159_100009817552 [0,2,0,0,0,0|1,0,0]=3 21379 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)O 62a_100009817552_100010187912 [0,2,0,0,0,0|1,0,0]=3 21380 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)O 62a_100010187912_100009817552 [0,2,0,0,0,0|1,0,0]=3 21381 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)Cl 62a_100000034237_100009817552 [0,2,0,0,0,0|1,0,0]=3 21382 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)Cl 62a_100009817552_100000034237 [0,2,0,0,0,0|1,0,0]=3 21383 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)F 62a_100000050007_100009817552 [0,2,0,0,0,0|1,0,0]=3 21384 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)F 62a_100009817552_100000050007 [0,2,0,0,0,0|1,0,0]=3 21385 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)N 62a_100000049713_100009817552 [0,2,0,0,0,0|1,0,0]=3 21386 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)N 62a_100009817552_100000049713 [0,2,0,0,0,0|1,0,0]=3 21387 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)O 62a_100009817552_100000050174 [0,2,0,0,0,0|1,0,0]=3 21388 B13R1.3787 C[C@@H](O)CSc1c(cccc1F)F 62a_100000693133_100009817552 [0,2,0,0,0,0|1,0,0]=3 21389 B13R1.3787 C[C@@H](O)CSc1c(cccc1F)F 62a_100009817552_100000693133 [0,2,0,0,0,0|1,0,0]=3 21390 B13R1.3787 C[C@@H](O)CSc1c(cccc1F)N 62a_100000690935_100009817552 [0,2,0,0,0,0|1,0,0]=3 21391 B13R1.3787 C[C@@H](O)CSc1c(cccc1F)N 62a_100009817552_100000690935 [0,2,0,0,0,0|1,0,0]=3 21392 B13R1.3787 C[C@@H](O)CSc1c(cccc1F)O 62a_100009817552_100009820682 [0,2,0,0,0,0|1,0,0]=3 21393 B13R1.3787 C[C@@H](O)CSc1c(cccc1F)O 62a_100009820682_100009817552 [0,2,0,0,0,0|1,0,0]=3 21394 B13R1.3787 C[C@@H](O)CSc1c(cccc1O)N 62a_100009817552_100012183704 [0,2,0,0,0,0|1,0,0]=3 21395 B13R1.3787 C[C@@H](O)CSc1c(cccc1O)N 62a_100012183704_100009817552 [0,2,0,0,0,0|1,0,0]=3 21396 B13R1.3787 C[C@@H](O)CSc1c(cccc1O)O 62a_100009817552_100010205330 [0,2,0,0,0,0|1,0,0]=3 21397 B13R1.3787 C[C@@H](O)CSc1c(ccnc1Cl)Br 62a_100009814607_100009817552 [0,2,0,0,0,0|2,0,0]=4 21398 B13R1.3787 C[C@@H](O)CSc1c(ccnc1Cl)Br 62a_100009817552_100009814607 [0,2,0,0,0,0|2,0,0]=4 21399 B13R1.3787 C[C@@H](O)CSc1c(ccnc1Cl)Cl 62a_100000050019_100009817552 [0,2,0,0,0,0|2,0,0]=4 21400 B13R1.3787 C[C@@H](O)CSc1c(ccnc1Cl)Cl 62a_100009817552_100000050019 [0,2,0,0,0,0|2,0,0]=4 21401 B13R1.3787 C[C@@H](O)CSc1c(ccnc1Cl)F 62a_100000716511_100009817552 [0,2,0,0,0,0|2,0,0]=4 21402 B13R1.3787 C[C@@H](O)CSc1c(ccnc1Cl)F 62a_100009817552_100000716511 [0,2,0,0,0,0|2,0,0]=4 21403 B13R1.3787 C[C@@H](O)CSc1c(ccnc1Cl)N 62a_100009817552_100010208016 [0,2,0,0,0,0|2,0,0]=4 21404 B13R1.3787 C[C@@H](O)CSc1c(ccnc1Cl)N 62a_100010208016_100009817552 [0,2,0,0,0,0|2,0,0]=4 21405 B13R1.3787 C[C@@H](O)CSc1c(ccnc1F)F 62a_100009817552_100009874084 [0,2,0,0,0,0|2,0,0]=4 21406 B13R1.3787 C[C@@H](O)CSc1c(ccnc1F)F 62a_100009874084_100009817552 [0,2,0,0,0,0|2,0,0]=4 21407 B13R1.3787 C[C@@H](O)CSc1c(ccnc1F)N 62a_100009817552_100010381272 [0,2,0,0,0,0|2,0,0]=4 21408 B13R1.3787 C[C@@H](O)CSc1c(ccnc1F)N 62a_100010381272_100009817552 [0,2,0,0,0,0|2,0,0]=4 21409 B13R1.3787 C[C@@H](O)CSc1c(ccnc1N)Cl 62a_100009817552_100010199028 [0,2,0,0,0,0|2,0,0]=4 21410 B13R1.3787 C[C@@H](O)CSc1c(ccnc1N)Cl 62a_100010199028_100009817552 [0,2,0,0,0,0|2,0,0]=4 21411 B13R1.3787 C[C@@H](O)CSc1c(ccnc1O)O 62a_100009817552_200009817435 [0,2,0,0,0,0|2,0,0]=4 21412 B13R1.3787 C[C@@H](O)CSc1c(cncc1Br)Br 62a_100009817552_100010172828 [0,2,0,0,0,0|2,0,0]=4 21413 B13R1.3787 C[C@@H](O)CSc1c(cncc1Br)Br 62a_100010172828_100009817552 [0,2,0,0,0,0|2,0,0]=4 21414 B13R1.3787 C[C@@H](O)CSc1c(cncc1Cl)Cl 62a_100000036193_100009817552 [0,2,0,0,0,0|2,0,0]=4 21415 B13R1.3787 C[C@@H](O)CSc1c(cncc1Cl)Cl 62a_100009817552_100000036193 [0,2,0,0,0,0|2,0,0]=4 21416 B13R1.3787 C[C@@H](O)CSc1c(cncc1F)F 62a_100000760538_100009817552 [0,2,0,0,0,0|2,0,0]=4 21417 B13R1.3787 C[C@@H](O)CSc1c(cncc1F)F 62a_100009817552_100000760538 [0,2,0,0,0,0|2,0,0]=4 21418 B13R1.3787 Cc1ccc[n+](c1SCC(C)O)[O-] 62a_100011218427_100116209805 [0,2,0,0,0,0|2,0,0]=4 21419 B13R1.3787 Cc1ccc[n+](c1SC[C@@H](C)O)[O-] 62a_100009817552_100116209805 [0,2,0,0,0,0|2,0,0]=4 21420 B13R1.3787 Cc1cccc(c1C=CC(C)O)C 271570a_200011019289_100000033847 [0,2,0,0,0,0|0,0,2]=4 21421 B13R1.3787 Cc1cccc(c1C=CC(C)O)Cl 271570a_200011019289_100000043165 [0,2,0,0,0,0|0,0,2]=4 21422 B13R1.3787 Cc1cccc(c1C=CC(C)O)F 271570a_200011019289_100012349962 [0,2,0,0,0,0|0,0,2]=4 21423 B13R1.3787 Cc1cccc(c1C=CC(C)O)N 271570a_200011019289_100000684715 [0,2,0,0,0,0|0,0,2]=4 21424 B13R1.3787 Cc1cccc(c1C=CC(C)O)O 271570a_200011019289_100000686692 [0,2,0,0,0,0|0,0,2]=4 21425 B13R1.3787 Cc1cccc(c1CCC(=O)[13CH3])C 1458a_200011998103_200025704644 [0,2,0,0,0,0|0,0,2]=4 21426 B13R1.3787 Cc1cccc(c1CNC(C)C)Br 207a_100138425928_100009881667 [0,2,0,0,0,0|2,0,0]=4 21427 B13R1.3787 Cc1cccc(c1CNC(C)C)Br 2230a_100138425928_100010146847 [0,2,0,0,0,0|2,0,0]=4 21428 B13R1.3787 Cc1cccc(c1CNC(C)C)Br 34a_100138425928_100010146847 [0,2,0,0,0,0|2,0,0]=4 21429 B13R1.3787 Cc1cccc(c1CNC(C)C)C 207a_100138425928_100000758299 [0,2,0,0,0,0|2,0,0]=4 21430 B13R1.3787 Cc1cccc(c1CNC(C)C)C 2230a_100138425928_100000758300 [0,2,0,0,0,0|2,0,0]=4 21431 B13R1.3787 Cc1cccc(c1CNC(C)C)C 34a_100000689800_100000210206 [0,2,0,0,0,0|2,0,0]=4 21432 B13R1.3787 Cc1cccc(c1CNC(C)C)C 34a_100138425928_100000758300 [0,2,0,0,0,0|2,0,0]=4 21433 B13R1.3787 Cc1cccc(c1CNC(C)C)Cl 207a_100138425928_100000041122 [0,2,0,0,0,0|2,0,0]=4 21434 B13R1.3787 Cc1cccc(c1CNC(C)C)F 207a_100138425928_100000069827 [0,2,0,0,0,0|2,0,0]=4 21435 B13R1.3787 Cc1cccc(c1CNC(C)C)F 2230a_100138425928_100009814554 [0,2,0,0,0,0|2,0,0]=4 21436 B13R1.3787 Cc1cccc(c1CNC(C)C)F 34a_100000762012_100000210206 [0,2,0,0,0,0|2,0,0]=4 21437 B13R1.3787 Cc1cccc(c1CNC(C)C)F 34a_100138425928_100009814554 [0,2,0,0,0,0|2,0,0]=4 21438 B13R1.3787 Cc1cccc(c1CNC(C)C)I 2230a_100138425928_100010150146 [0,2,0,0,0,0|2,0,0]=4 21439 B13R1.3787 Cc1cccc(c1CNC(C)C)I 34a_100138425928_100010150146 [0,2,0,0,0,0|2,0,0]=4 21440 B13R1.3787 Cc1cccc(c1COC(C)C)Br 34a_100000212225_100010146847 [0,2,0,0,0,0|2,0,0]=4 21441 B13R1.3787 Cc1cccc(c1COC(C)C)C 34a_100000212225_100000758300 [0,2,0,0,0,0|2,0,0]=4 21442 B13R1.3787 Cc1cccc(c1COC(C)C)C 34a_100011933981_100000210206 [0,2,0,0,0,0|2,0,0]=4 21443 B13R1.3787 Cc1cccc(c1COC(C)C)C 7a_100011933981_100000210206 [0,2,0,0,0,0|2,0,0]=4 21444 B13R1.3787 Cc1cccc(c1COC(C)C)Cl 34a_100000082531_100000210206 [0,2,0,0,0,0|2,0,0]=4 21445 B13R1.3787 Cc1cccc(c1COC(C)C)Cl 7a_100000082531_100000210206 [0,2,0,0,0,0|2,0,0]=4 21446 B13R1.3787 Cc1cccc(c1COC(C)C)F 34a_100000057874_100000210206 [0,2,0,0,0,0|2,0,0]=4 21447 B13R1.3787 Cc1cccc(c1COC(C)C)F 34a_100000212225_100009814554 [0,2,0,0,0,0|2,0,0]=4 21448 B13R1.3787 Cc1cccc(c1COC(C)C)F 7a_100000057874_100000210206 [0,2,0,0,0,0|2,0,0]=4 21449 B13R1.3787 Cc1cccc(c1COC(C)C)I 34a_100000212225_100010150146 [0,2,0,0,0,0|2,0,0]=4 21450 B13R1.3787 Cc1cccc(c1CSC(C)C)Br 62a_100000210206_100010146847 [0,2,0,0,0,0|2,0,0]=4 21451 B13R1.3787 Cc1cccc(c1CSC(C)C)Br 62a_100010146847_100000210206 [0,2,0,0,0,0|2,0,0]=4 21452 B13R1.3787 Cc1cccc(c1CSC(C)C)C 62a_100000210206_100000758300 [0,2,0,0,0,0|2,0,0]=4 21453 B13R1.3787 Cc1cccc(c1CSC(C)C)C 62a_100000758300_100000210206 [0,2,0,0,0,0|2,0,0]=4 21454 B13R1.3787 Cc1cccc(c1CSC(C)C)F 62a_100000210206_100009814554 [0,2,0,0,0,0|2,0,0]=4 21455 B13R1.3787 Cc1cccc(c1CSC(C)C)F 62a_100009814554_100000210206 [0,2,0,0,0,0|2,0,0]=4 21456 B13R1.3787 Cc1cccc(c1CSC(C)C)I 62a_100000210206_100010150146 [0,2,0,0,0,0|2,0,0]=4 21457 B13R1.3787 Cc1cccc(c1CSC(C)C)I 62a_100010150146_100000210206 [0,2,0,0,0,0|2,0,0]=4 21458 B13R1.3787 Cc1cccc(c1NCC(C)C)Br 34a_100011834072_100000210624 [0,2,0,0,0,0|2,0,0]=4 21459 B13R1.3787 Cc1cccc(c1NCC(C)C)C 34a_100000185769_100000210624 [0,2,0,0,0,0|2,0,0]=4 21460 B13R1.3787 Cc1cccc(c1NCC(C)C)Cl 34a_100000756524_100000210624 [0,2,0,0,0,0|2,0,0]=4 21461 B13R1.3787 Cc1cccc(c1NCC(C)C)F 34a_100000766463_100000210624 [0,2,0,0,0,0|2,0,0]=4 21462 B13R1.3787 Cc1cccc(c1NCC(C)C)O 34a_100000743429_100000210624 [0,2,0,0,0,0|2,0,0]=4 21463 B13R1.3787 Cc1cccc(c1NCC(C)O)Br 34a_100011834072_100011218427 [0,2,0,0,0,0|1,0,0]=3 21464 B13R1.3787 Cc1cccc(c1NCC(C)O)C 34a_100000185769_100011218427 [0,2,0,0,0,0|1,0,0]=3 21465 B13R1.3787 Cc1cccc(c1NCC(C)O)Cl 34a_100000756524_100011218427 [0,2,0,0,0,0|1,0,0]=3 21466 B13R1.3787 Cc1cccc(c1NCC(C)O)F 34a_100000766463_100011218427 [0,2,0,0,0,0|1,0,0]=3 21467 B13R1.3787 Cc1cccc(c1NCC(C)O)O 34a_100000743429_100011218427 [0,2,0,0,0,0|1,0,0]=3 21468 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)Br 34a_100011834072_100009817552 [0,2,0,0,0,0|1,0,0]=3 21469 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)C 34a_100000185769_100009817552 [0,2,0,0,0,0|1,0,0]=3 21470 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)Cl 34a_100000756524_100009817552 [0,2,0,0,0,0|1,0,0]=3 21471 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)F 34a_100000766463_100009817552 [0,2,0,0,0,0|1,0,0]=3 21472 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)O 34a_100000743429_100009817552 [0,2,0,0,0,0|1,0,0]=3 21473 B13R1.3787 Cc1cccc(c1OCC(C)C)Br 34a_100009817157_100000210624 [0,2,0,0,0,0|2,0,0]=4 21474 B13R1.3787 Cc1cccc(c1OCC(C)C)Br 7a_100009817157_100000210760 [0,2,0,0,0,0|2,0,0]=4 21475 B13R1.3787 Cc1cccc(c1OCC(C)C)C 34a_100000210341_100000210624 [0,2,0,0,0,0|2,0,0]=4 21476 B13R1.3787 Cc1cccc(c1OCC(C)C)C 7a_100000210341_100000210760 [0,2,0,0,0,0|2,0,0]=4 21477 B13R1.3787 Cc1cccc(c1OCC(C)C)Cl 34a_100000033731_100000210624 [0,2,0,0,0,0|2,0,0]=4 21478 B13R1.3787 Cc1cccc(c1OCC(C)C)Cl 7a_100000033731_100000210760 [0,2,0,0,0,0|2,0,0]=4 21479 B13R1.3787 Cc1cccc(c1OCC(C)C)F 34a_100011659162_100000210624 [0,2,0,0,0,0|2,0,0]=4 21480 B13R1.3787 Cc1cccc(c1OCC(C)C)F 7a_100011659162_100000210760 [0,2,0,0,0,0|2,0,0]=4 21481 B13R1.3787 Cc1cccc(c1OCC(C)C)N 34a_100000756359_100000210624 [0,2,0,0,0,0|2,0,0]=4 21482 B13R1.3787 Cc1cccc(c1OCC(C)C)N 7a_100000756359_100000210760 [0,2,0,0,0,0|2,0,0]=4 21483 B13R1.3787 Cc1cccc(c1OCC(C)O)Br 34a_100009817157_100011218427 [0,2,0,0,0,0|1,0,0]=3 21484 B13R1.3787 Cc1cccc(c1OCC(C)O)Br 7a_100009817157_100011218427 [0,2,0,0,0,0|1,0,0]=3 21485 B13R1.3787 Cc1cccc(c1OCC(C)O)C 34a_100000210341_100011218427 [0,2,0,0,0,0|1,0,0]=3 21486 B13R1.3787 Cc1cccc(c1OCC(C)O)C 7a_100000210341_100011218427 [0,2,0,0,0,0|1,0,0]=3 21487 B13R1.3787 Cc1cccc(c1OCC(C)O)Cl 34a_100000033731_100011218427 [0,2,0,0,0,0|1,0,0]=3 21488 B13R1.3787 Cc1cccc(c1OCC(C)O)Cl 7a_100000033731_100011218427 [0,2,0,0,0,0|1,0,0]=3 21489 B13R1.3787 Cc1cccc(c1OCC(C)O)F 34a_100011659162_100011218427 [0,2,0,0,0,0|1,0,0]=3 21490 B13R1.3787 Cc1cccc(c1OCC(C)O)F 7a_100011659162_100011218427 [0,2,0,0,0,0|1,0,0]=3 21491 B13R1.3787 Cc1cccc(c1OCC(C)O)N 34a_100000756359_100011218427 [0,2,0,0,0,0|1,0,0]=3 21492 B13R1.3787 Cc1cccc(c1OCC(C)O)N 7a_100000756359_100011218427 [0,2,0,0,0,0|1,0,0]=3 21493 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Br 34a_100009817157_100009817552 [0,2,0,0,0,0|1,0,0]=3 21494 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Br 7a_100009817157_100009817552 [0,2,0,0,0,0|1,0,0]=3 21495 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)C 34a_100000210341_100009817552 [0,2,0,0,0,0|1,0,0]=3 21496 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)C 7a_100000210341_100009817552 [0,2,0,0,0,0|1,0,0]=3 21497 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Cl 34a_100000033731_100009817552 [0,2,0,0,0,0|1,0,0]=3 21498 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Cl 7a_100000033731_100009817552 [0,2,0,0,0,0|1,0,0]=3 21499 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)F 34a_100011659162_100009817552 [0,2,0,0,0,0|1,0,0]=3 21500 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)F 7a_100011659162_100009817552 [0,2,0,0,0,0|1,0,0]=3 21501 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)N 34a_100000756359_100009817552 [0,2,0,0,0,0|1,0,0]=3 21502 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)N 7a_100000756359_100009817552 [0,2,0,0,0,0|1,0,0]=3 21503 B13R1.3787 Cc1cccc(c1SCC(C)C)Br 62a_100000210624_100010141302 [0,2,0,0,0,0|2,0,0]=4 21504 B13R1.3787 Cc1cccc(c1SCC(C)C)Br 62a_100010141302_100000210760 [0,2,0,0,0,0|2,0,0]=4 21505 B13R1.3787 Cc1cccc(c1SCC(C)C)C 62a_100000033847_100000210760 [0,2,0,0,0,0|2,0,0]=4 21506 B13R1.3787 Cc1cccc(c1SCC(C)C)C 62a_100000210624_100000033847 [0,2,0,0,0,0|2,0,0]=4 21507 B13R1.3787 Cc1cccc(c1SCC(C)C)Cl 62a_100000043165_100000210760 [0,2,0,0,0,0|2,0,0]=4 21508 B13R1.3787 Cc1cccc(c1SCC(C)C)Cl 62a_100000210624_100000043165 [0,2,0,0,0,0|2,0,0]=4 21509 B13R1.3787 Cc1cccc(c1SCC(C)C)F 62a_100000210624_100011218421 [0,2,0,0,0,0|2,0,0]=4 21510 B13R1.3787 Cc1cccc(c1SCC(C)C)F 62a_100011218421_100000210760 [0,2,0,0,0,0|2,0,0]=4 21511 B13R1.3787 Cc1cccc(c1SCC(C)C)N 62a_100000210624_100000684715 [0,2,0,0,0,0|2,0,0]=4 21512 B13R1.3787 Cc1cccc(c1SCC(C)C)N 62a_100000684715_100000210760 [0,2,0,0,0,0|2,0,0]=4 21513 B13R1.3787 Cc1cccc(c1SCC(C)C)O 62a_100000210624_100000686692 [0,2,0,0,0,0|2,0,0]=4 21514 B13R1.3787 Cc1cccc(c1SCC(C)C)O 62a_100000686692_100000210760 [0,2,0,0,0,0|2,0,0]=4 21515 B13R1.3787 Cc1cccc(c1SCC(C)O)Br 62a_100010141302_100011218427 [0,2,0,0,0,0|1,0,0]=3 21516 B13R1.3787 Cc1cccc(c1SCC(C)O)Br 62a_100011218427_100010141302 [0,2,0,0,0,0|1,0,0]=3 21517 B13R1.3787 Cc1cccc(c1SCC(C)O)C 62a_100000033847_100011218427 [0,2,0,0,0,0|1,0,0]=3 21518 B13R1.3787 Cc1cccc(c1SCC(C)O)C 62a_100011218427_100000033847 [0,2,0,0,0,0|1,0,0]=3 21519 B13R1.3787 Cc1cccc(c1SCC(C)O)Cl 62a_100000043165_100011218427 [0,2,0,0,0,0|1,0,0]=3 21520 B13R1.3787 Cc1cccc(c1SCC(C)O)Cl 62a_100011218427_100000043165 [0,2,0,0,0,0|1,0,0]=3 21521 B13R1.3787 Cc1cccc(c1SCC(C)O)F 62a_100011218421_100011218427 [0,2,0,0,0,0|1,0,0]=3 21522 B13R1.3787 Cc1cccc(c1SCC(C)O)F 62a_100011218427_100011218421 [0,2,0,0,0,0|1,0,0]=3 21523 B13R1.3787 Cc1cccc(c1SCC(C)O)N 62a_100000684715_100011218427 [0,2,0,0,0,0|1,0,0]=3 21524 B13R1.3787 Cc1cccc(c1SCC(C)O)N 62a_100011218427_100000684715 [0,2,0,0,0,0|1,0,0]=3 21525 B13R1.3787 Cc1cccc(c1SCC(C)O)O 62a_100000686692_100011218427 [0,2,0,0,0,0|1,0,0]=3 21526 B13R1.3787 Cc1cccc(c1SCC(C)O)O 62a_100011218427_100000686692 [0,2,0,0,0,0|1,0,0]=3 21527 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Br 62a_100009817552_100010141302 [0,2,0,0,0,0|1,0,0]=3 21528 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Br 62a_100010141302_100009817552 [0,2,0,0,0,0|1,0,0]=3 21529 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)C 62a_100000033847_100009817552 [0,2,0,0,0,0|1,0,0]=3 21530 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)C 62a_100009817552_100000033847 [0,2,0,0,0,0|1,0,0]=3 21531 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Cl 62a_100000043165_100009817552 [0,2,0,0,0,0|1,0,0]=3 21532 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Cl 62a_100009817552_100000043165 [0,2,0,0,0,0|1,0,0]=3 21533 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)F 62a_100009817552_100011218421 [0,2,0,0,0,0|1,0,0]=3 21534 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)F 62a_100011218421_100009817552 [0,2,0,0,0,0|1,0,0]=3 21535 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)N 62a_100000684715_100009817552 [0,2,0,0,0,0|1,0,0]=3 21536 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)N 62a_100009817552_100000684715 [0,2,0,0,0,0|1,0,0]=3 21537 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)O 62a_100000686692_100009817552 [0,2,0,0,0,0|1,0,0]=3 21538 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)O 62a_100009817552_100000686692 [0,2,0,0,0,0|1,0,0]=3 21539 B13R1.3787 Cc1ccnc(c1NCC(C)O)F 27a_100000210904_100009818256 [0,2,0,0,0,0|2,0,0]=4 21540 B13R1.3787 Cc1ccnc(c1OCC(C)O)C 34a_100011934651_100011218427 [0,2,0,0,0,0|2,0,0]=4 21541 B13R1.3787 Cc1ccnc(c1OCC(C)O)C 7a_100011934651_100011218427 [0,2,0,0,0,0|2,0,0]=4 21542 B13R1.3787 Cc1ccnc(c1OCC(C)O)Cl 34a_100000696282_100011218427 [0,2,0,0,0,0|2,0,0]=4 21543 B13R1.3787 Cc1ccnc(c1OCC(C)O)Cl 7a_100000696282_100011218427 [0,2,0,0,0,0|2,0,0]=4 21544 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)C 34a_100011934651_100009817552 [0,2,0,0,0,0|2,0,0]=4 21545 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)C 7a_100011934651_100009817552 [0,2,0,0,0,0|2,0,0]=4 21546 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)Cl 34a_100000696282_100009817552 [0,2,0,0,0,0|2,0,0]=4 21547 B13R1.3787 Cc1ccnc(c1OC[C@@H](C)O)Cl 7a_100000696282_100009817552 [0,2,0,0,0,0|2,0,0]=4 21548 B13R1.3787 Cc1ccnc(c1SCC(C)O)C 62a_100011218427_100012000501 [0,2,0,0,0,0|2,0,0]=4 21549 B13R1.3787 Cc1ccnc(c1SCC(C)O)C 62a_100012000501_100011218427 [0,2,0,0,0,0|2,0,0]=4 21550 B13R1.3787 Cc1ccnc(c1SCC(C)O)Cl 62a_100010248874_100011218427 [0,2,0,0,0,0|2,0,0]=4 21551 B13R1.3787 Cc1ccnc(c1SCC(C)O)Cl 62a_100011218427_100010248874 [0,2,0,0,0,0|2,0,0]=4 21552 B13R1.3787 Cc1ccnc(c1SCC(C)O)F 62a_100009818256_100011218427 [0,2,0,0,0,0|2,0,0]=4 21553 B13R1.3787 Cc1ccnc(c1SCC(C)O)F 62a_100011218427_100009818256 [0,2,0,0,0,0|2,0,0]=4 21554 B13R1.3787 Cc1ccnc(c1SCC(C)O)N 62a_100011218427_100011998619 [0,2,0,0,0,0|2,0,0]=4 21555 B13R1.3787 Cc1ccnc(c1SCC(C)O)N 62a_100011998619_100011218427 [0,2,0,0,0,0|2,0,0]=4 21556 B13R1.3787 Cc1ccnc(c1SCC(C)O)O 62a_100011218427_100012000493 [0,2,0,0,0,0|2,0,0]=4 21557 B13R1.3787 Cc1ccnc(c1SCC(C)O)O 62a_100012000493_100011218427 [0,2,0,0,0,0|2,0,0]=4 21558 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)C 62a_100009817552_100012000501 [0,2,0,0,0,0|2,0,0]=4 21559 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)C 62a_100012000501_100009817552 [0,2,0,0,0,0|2,0,0]=4 21560 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)Cl 62a_100009817552_100010248874 [0,2,0,0,0,0|2,0,0]=4 21561 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)Cl 62a_100010248874_100009817552 [0,2,0,0,0,0|2,0,0]=4 21562 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)F 62a_100009817552_100009818256 [0,2,0,0,0,0|2,0,0]=4 21563 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)F 62a_100009818256_100009817552 [0,2,0,0,0,0|2,0,0]=4 21564 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)N 62a_100009817552_100011998619 [0,2,0,0,0,0|2,0,0]=4 21565 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)N 62a_100011998619_100009817552 [0,2,0,0,0,0|2,0,0]=4 21566 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)O 62a_100009817552_100012000493 [0,2,0,0,0,0|2,0,0]=4 21567 B13R1.3787 Cc1ccnc(c1SC[C@@H](C)O)O 62a_100012000493_100009817552 [0,2,0,0,0,0|2,0,0]=4 21568 B13R1.3787 Cc1cncc(c1SCC(C)O)C 62a_100009817138_100011218427 [0,2,0,0,0,0|2,0,0]=4 21569 B13R1.3787 Cc1cncc(c1SCC(C)O)C 62a_100011218427_100009817138 [0,2,0,0,0,0|2,0,0]=4 21570 B13R1.3787 Cc1cncc(c1SC[C@@H](C)O)C 62a_100009817138_100009817552 [0,2,0,0,0,0|2,0,0]=4 21571 B13R1.3787 Cc1cncc(c1SC[C@@H](C)O)C 62a_100009817552_100009817138 [0,2,0,0,0,0|2,0,0]=4 21572 B13R1.3787 Cc1nccc(c1SCC(C)O)N 62a_100010243816_100011218427 [0,2,0,0,0,0|2,0,0]=4 21573 B13R1.3787 Cc1nccc(c1SCC(C)O)N 62a_100011218427_100010243816 [0,2,0,0,0,0|2,0,0]=4 21574 B13R1.3787 Cc1nccc(c1SC[C@@H](C)O)N 62a_100009817552_100010243816 [0,2,0,0,0,0|2,0,0]=4 21575 B13R1.3787 Cc1nccc(c1SC[C@@H](C)O)N 62a_100010243816_100009817552 [0,2,0,0,0,0|2,0,0]=4 21576 B13R1.3787 Cc1occc(=O)c1OCC(C)O 34a_100000031901_100011218427 [0,2,0,0,0,0|2,0,0]=4 21577 B13R1.3787 Cc1occc(=O)c1OC[C@@H](C)O 34a_100000031901_100009817552 [0,2,0,0,0,0|2,0,0]=4 21578 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200025704644 [0,2,0,0,0,0|0,0,2]=4 21579 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200025704644 [0,2,0,0,0,0|0,0,2]=4 21580 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1F)F 1458a_100000738981_200025704644 [0,2,0,0,0,0|0,0,2]=4 21581 B13R1.643 C#Cc1cccc(c1)CNC(C)C 207a_100138425928_100011361529 [0,2,0,0,0,0|2,0,0]=4 21582 B13R1.643 C#Cc1cccc(c1)COC(C)C 34a_100010272118_100000210206 [0,2,0,0,0,0|2,0,0]=4 21583 B13R1.643 C#Cc1cccc(c1)COC(C)C 7a_100010272118_100000210206 [0,2,0,0,0,0|2,0,0]=4 21584 B13R1.643 C#Cc1cccc(c1)NCC(C)C 2230a_100000735509_100000210760 [0,2,0,0,0,0|2,0,0]=4 21585 B13R1.643 C#Cc1cccc(c1)NCC(C)C 34a_100000735509_100000210624 [0,2,0,0,0,0|2,0,0]=4 21586 B13R1.643 C#Cc1cccc(c1)NCC(C)O 2230a_100000735509_100011218427 [0,2,0,0,0,0|1,0,0]=3 21587 B13R1.643 C#Cc1cccc(c1)NCC(C)O 34a_100000735509_100011218427 [0,2,0,0,0,0|1,0,0]=3 21588 B13R1.643 C#Cc1cccc(c1)NC[C@@H](C)O 2230a_100000735509_100009817552 [0,2,0,0,0,0|1,0,0]=3 21589 B13R1.643 C#Cc1cccc(c1)NC[C@@H](C)O 34a_100000735509_100009817552 [0,2,0,0,0,0|1,0,0]=3 21590 B13R1.643 C#Cc1cccc(c1)OCC(C)C 34a_100011216014_100000210624 [0,2,0,0,0,0|2,0,0]=4 21591 B13R1.643 C#Cc1cccc(c1)OCC(C)C 7a_100011216014_100000210760 [0,2,0,0,0,0|2,0,0]=4 21592 B13R1.643 C#Cc1cccc(c1)OCC(C)O 34a_100011216014_100011218427 [0,2,0,0,0,0|1,0,0]=3 21593 B13R1.643 C#Cc1cccc(c1)OCC(C)O 7a_100011216014_100011218427 [0,2,0,0,0,0|1,0,0]=3 21594 B13R1.643 C#Cc1cccc(c1)OC[C@@H](C)O 34a_100011216014_100009817552 [0,2,0,0,0,0|1,0,0]=3 21595 B13R1.643 C#Cc1cccc(c1)OC[C@@H](C)O 7a_100011216014_100009817552 [0,2,0,0,0,0|1,0,0]=3 21596 B13R1.643 C=Cc1cc(ccn1)SCC(C)O 62a_100009845566_100011218427 [0,2,0,0,0,0|2,0,0]=4 21597 B13R1.643 C=Cc1cc(ccn1)SCC(C)O 62a_100011218427_100009845566 [0,2,0,0,0,0|2,0,0]=4 21598 B13R1.643 C=Cc1cc(ccn1)SC[C@@H](C)O 62a_100009817552_100009845566 [0,2,0,0,0,0|2,0,0]=4 21599 B13R1.643 C=Cc1cc(ccn1)SC[C@@H](C)O 62a_100009845566_100009817552 [0,2,0,0,0,0|2,0,0]=4 21600 B13R1.643 C=Cc1cccc(c1)CCC(=O)C 271570a_100011290941_100011279149 [0,2,0,0,0,0|0,0,2]=4 21601 B13R1.643 C=Cc1cccc(c1)CNC(C)C 271570a_100011290941_100000195767 [0,2,0,0,0,0|2,0,0]=4 21602 B13R1.643 C=Cc1cccc(c1)NCC(C)C 34a_100011827668_100000210624 [0,2,0,0,0,0|2,0,0]=4 21603 B13R1.643 C=Cc1cccc(c1)NCC(C)O 34a_100011827668_100011218427 [0,2,0,0,0,0|1,0,0]=3 21604 B13R1.643 C=Cc1cccc(c1)NC[C@@H](C)O 34a_100011827668_100009817552 [0,2,0,0,0,0|1,0,0]=3 21605 B13R1.643 C=Cc1cccc(c1)OCC(C)C 271570a_100011290941_200000170005 [0,2,0,0,0,0|2,0,0]=4 21606 B13R1.643 C=Cc1cccc(c1)OCC(C)C 34a_100011309434_100000210624 [0,2,0,0,0,0|2,0,0]=4 21607 B13R1.643 C=Cc1cccc(c1)OCC(C)C 7a_100011309434_100000210760 [0,2,0,0,0,0|2,0,0]=4 21608 B13R1.643 C=Cc1cccc(c1)OCC(C)O 34a_100011309434_100011218427 [0,2,0,0,0,0|1,0,0]=3 21609 B13R1.643 C=Cc1cccc(c1)OCC(C)O 7a_100011309434_100011218427 [0,2,0,0,0,0|1,0,0]=3 21610 B13R1.643 C=Cc1cccc(c1)OC[C@@H](C)O 34a_100011309434_100009817552 [0,2,0,0,0,0|1,0,0]=3 21611 B13R1.643 C=Cc1cccc(c1)OC[C@@H](C)O 7a_100011309434_100009817552 [0,2,0,0,0,0|1,0,0]=3 21612 B13R1.643 C=Cc1cccc(c1)SCC(C)C 62a_100000210624_100011215241 [0,2,0,0,0,0|2,0,0]=4 21613 B13R1.643 C=Cc1cccc(c1)SCC(C)C 62a_100011215241_100000210760 [0,2,0,0,0,0|2,0,0]=4 21614 B13R1.643 C=Cc1cccc(c1)SCC(C)O 62a_100011215241_100011218427 [0,2,0,0,0,0|1,0,0]=3 21615 B13R1.643 C=Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215241 [0,2,0,0,0,0|1,0,0]=3 21616 B13R1.643 C=Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215241 [0,2,0,0,0,0|1,0,0]=3 21617 B13R1.643 C=Cc1cccc(c1)SC[C@@H](C)O 62a_100011215241_100009817552 [0,2,0,0,0,0|1,0,0]=3 21618 B13R1.643 C=Cc1cncc(c1)SCC(C)O 62a_100011218427_200012180632 [0,2,0,0,0,0|2,0,0]=4 21619 B13R1.643 C=Cc1cncc(c1)SCC(C)O 62a_200012180632_100011218427 [0,2,0,0,0,0|2,0,0]=4 21620 B13R1.643 C=Cc1cncc(c1)SC[C@@H](C)O 62a_100009817552_200012180632 [0,2,0,0,0,0|2,0,0]=4 21621 B13R1.643 C=Cc1cncc(c1)SC[C@@H](C)O 62a_200012180632_100009817552 [0,2,0,0,0,0|2,0,0]=4 21622 B13R1.643 CC(=O)CCc1cccc(c1)C#N 1458a_100011998624_200000210301 [0,2,0,0,0,0|0,0,2]=4 21623 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_100011279149_200025704644 [0,2,0,0,0,0|0,0,2]=4 21624 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100011279149 [0,2,0,0,0,0|0,0,2]=4 21625 B13R1.643 CC(C)CNc1cccc(c1)C#N 34a_100000210922_100000210624 [0,2,0,0,0,0|2,0,0]=4 21626 B13R1.643 CC(C)CNc1cccc(c1)C#N 7a_100000210922_100000210760 [0,2,0,0,0,0|2,0,0]=4 21627 B13R1.643 CC(C)CNc1cccc(c1)CF 2230a_100000126320_100000210760 [0,2,0,0,0,0|2,0,0]=4 21628 B13R1.643 CC(C)CNc1cccc(c1)CF 34a_100000126320_100000210624 [0,2,0,0,0,0|2,0,0]=4 21629 B13R1.643 CC(C)CNc1cccc(c1)CF 7a_100000126320_100000210760 [0,2,0,0,0,0|2,0,0]=4 21630 B13R1.643 CC(C)CNc1cccc(c1)CO 2230a_100000211919_100000210760 [0,2,0,0,0,0|2,0,0]=4 21631 B13R1.643 CC(C)CNc1cccc(c1)CO 34a_100000211919_100000210624 [0,2,0,0,0,0|2,0,0]=4 21632 B13R1.643 CC(C)COc1cccc(c1)C#N 34a_100000184713_100000210624 [0,2,0,0,0,0|2,0,0]=4 21633 B13R1.643 CC(C)COc1cccc(c1)C#N 7a_100000184713_100000210760 [0,2,0,0,0,0|2,0,0]=4 21634 B13R1.643 CC(C)COc1cccc(c1)CBr 34a_100011660834_100000210624 [0,2,0,0,0,0|2,0,0]=4 21635 B13R1.643 CC(C)COc1cccc(c1)CBr 7a_100011660834_100000210760 [0,2,0,0,0,0|2,0,0]=4 21636 B13R1.643 CC(C)COc1cccc(c1)CCl 34a_100000084143_100000210624 [0,2,0,0,0,0|2,0,0]=4 21637 B13R1.643 CC(C)COc1cccc(c1)CCl 7a_100000084143_100000210760 [0,2,0,0,0,0|2,0,0]=4 21638 B13R1.643 CC(C)COc1cccc(c1)CN 34a_100000743036_100000210624 [0,2,0,0,0,0|2,0,0]=4 21639 B13R1.643 CC(C)COc1cccc(c1)CO 34a_100011214949_100000210624 [0,2,0,0,0,0|2,0,0]=4 21640 B13R1.643 CC(C)COc1cccc(c1)CO 7a_100011214949_100000210760 [0,2,0,0,0,0|2,0,0]=4 21641 B13R1.643 CC(C)COc1cccc(c1)S[13CH3] 62a_200000170005_200025704644 [0,2,0,0,0,0|2,0,0]=4 21642 B13R1.643 CC(C)COc1cccc(c1)S[13CH3] 62a_200025704644_200000170005 [0,2,0,0,0,0|2,0,0]=4 21643 B13R1.643 CC(C)CSc1cccc(c1)C#N 62a_100000210624_100000189340 [0,2,0,0,0,0|2,0,0]=4 21644 B13R1.643 CC(C)CSc1cccc(c1)C=O 62a_100000014684_100000210760 [0,2,0,0,0,0|2,0,0]=4 21645 B13R1.643 CC(C)CSc1cccc(c1)C=O 62a_100000210624_100000014684 [0,2,0,0,0,0|2,0,0]=4 21646 B13R1.643 CC(C)CSc1cccc(c1)CF 62a_100000210624_100010878472 [0,2,0,0,0,0|2,0,0]=4 21647 B13R1.643 CC(C)CSc1cccc(c1)CF 62a_100010878472_100000210760 [0,2,0,0,0,0|2,0,0]=4 21648 B13R1.643 CC(C)CSc1cccc(c1)CN 62a_100000106179_100000210760 [0,2,0,0,0,0|2,0,0]=4 21649 B13R1.643 CC(C)CSc1cccc(c1)CN 62a_100000210624_100000106179 [0,2,0,0,0,0|2,0,0]=4 21650 B13R1.643 CC(C)CSc1cccc(c1)CO 62a_100000210624_100000687537 [0,2,0,0,0,0|2,0,0]=4 21651 B13R1.643 CC(C)CSc1cccc(c1)CO 62a_100000687537_100000210760 [0,2,0,0,0,0|2,0,0]=4 21652 B13R1.643 CC(C)CSc1cccc(c1)NN 62a_100000210624_100000217339 [0,2,0,0,0,0|2,0,0]=4 21653 B13R1.643 CC(C)CSc1cccc(c1)NN 62a_100000217339_100000210760 [0,2,0,0,0,0|2,0,0]=4 21654 B13R1.643 CC(C)NCc1cccc(c1)C#N 207a_100138425928_100000241001 [0,2,0,0,0,0|2,0,0]=4 21655 B13R1.643 CC(C)NCc1cccc(c1)C#N 2230a_100138425928_100000233786 [0,2,0,0,0,0|2,0,0]=4 21656 B13R1.643 CC(C)NCc1cccc(c1)C#N 34a_100000755147_100000210206 [0,2,0,0,0,0|2,0,0]=4 21657 B13R1.643 CC(C)NCc1cccc(c1)C#N 34a_100138425928_100000233786 [0,2,0,0,0,0|2,0,0]=4 21658 B13R1.643 CC(C)NCc1cccc(c1)C=O 2230a_100138425928_100009816774 [0,2,0,0,0,0|2,0,0]=4 21659 B13R1.643 CC(C)NCc1cccc(c1)C=O 34a_100138425928_100009816774 [0,2,0,0,0,0|2,0,0]=4 21660 B13R1.643 CC(C)NCc1cccc(c1)CO 207a_100138425928_200000050894 [0,2,0,0,0,0|2,0,0]=4 21661 B13R1.643 CC(C)NCc1cccc(c1)CO 2230a_100011269909_100000210206 [0,2,0,0,0,0|2,0,0]=4 21662 B13R1.643 CC(C)NCc1cccc(c1)CO 2230a_100138425928_100010188025 [0,2,0,0,0,0|2,0,0]=4 21663 B13R1.643 CC(C)NCc1cccc(c1)CO 34a_100011269909_100000210206 [0,2,0,0,0,0|2,0,0]=4 21664 B13R1.643 CC(C)NCc1cccc(c1)CO 34a_100138425928_100010188025 [0,2,0,0,0,0|2,0,0]=4 21665 B13R1.643 CC(C)NCc1cccc(c1)S[13CH3] 62a_100000195767_200025704644 [0,2,0,0,0,0|2,0,0]=4 21666 B13R1.643 CC(C)NCc1cccc(c1)S[13CH3] 62a_200025704644_100000195767 [0,2,0,0,0,0|2,0,0]=4 21667 B13R1.643 CC(C)OCc1cccc(c1)C#N 34a_100000212225_100000233786 [0,2,0,0,0,0|2,0,0]=4 21668 B13R1.643 CC(C)OCc1cccc(c1)C#N 34a_100000753308_100000210206 [0,2,0,0,0,0|2,0,0]=4 21669 B13R1.643 CC(C)OCc1cccc(c1)C#N 7a_100000753308_100000210206 [0,2,0,0,0,0|2,0,0]=4 21670 B13R1.643 CC(C)OCc1cccc(c1)C=O 34a_100000212225_100009816774 [0,2,0,0,0,0|2,0,0]=4 21671 B13R1.643 CC(C)OCc1cccc(c1)CBr 34a_100010188025_100000210206 [0,2,0,0,0,0|2,0,0]=4 21672 B13R1.643 CC(C)OCc1cccc(c1)CBr 7a_100010188025_100000210206 [0,2,0,0,0,0|2,0,0]=4 21673 B13R1.643 CC(C)OCc1cccc(c1)CCl 34a_200000090956_100000210206 [0,2,0,0,0,0|2,0,0]=4 21674 B13R1.643 CC(C)OCc1cccc(c1)CCl 7a_200000090956_100000210206 [0,2,0,0,0,0|2,0,0]=4 21675 B13R1.643 CC(C)OCc1cccc(c1)CN 34a_100011269909_100000210206 [0,2,0,0,0,0|2,0,0]=4 21676 B13R1.643 CC(C)OCc1cccc(c1)CO 34a_100000212225_100010188025 [0,2,0,0,0,0|2,0,0]=4 21677 B13R1.643 CC(C)SCc1cccc(c1)C#N 62a_100000210206_100000233786 [0,2,0,0,0,0|2,0,0]=4 21678 B13R1.643 CC(C)SCc1cccc(c1)C=O 62a_100000210206_100009816774 [0,2,0,0,0,0|2,0,0]=4 21679 B13R1.643 CC(C)SCc1cccc(c1)C=O 62a_100009816774_100000210206 [0,2,0,0,0,0|2,0,0]=4 21680 B13R1.643 CC(C)SCc1cccc(c1)CO 62a_100000210206_100010188025 [0,2,0,0,0,0|2,0,0]=4 21681 B13R1.643 CC(C)SCc1cccc(c1)CO 62a_100010188025_100000210206 [0,2,0,0,0,0|2,0,0]=4 21682 B13R1.643 CC(O)C=Cc1cccc(c1)C#N 271570a_200011019289_100000189340 [0,2,0,0,0,0|0,0,2]=4 21683 B13R1.643 CC(O)C=Cc1cccc(c1)C=O 271570a_200011019289_100000014684 [0,2,0,0,0,0|0,0,2]=4 21684 B13R1.643 CC(O)C=Cc1cccc(c1)CF 271570a_200011019289_100010878472 [0,2,0,0,0,0|0,0,2]=4 21685 B13R1.643 CC(O)C=Cc1cccc(c1)CN 271570a_200011019289_100000106179 [0,2,0,0,0,0|0,0,2]=4 21686 B13R1.643 CC(O)C=Cc1cccc(c1)CO 271570a_200011019289_100000687537 [0,2,0,0,0,0|0,0,2]=4 21687 B13R1.643 CC(O)C=Cc1cccc(c1)NN 271570a_200011019289_100000217339 [0,2,0,0,0,0|0,0,2]=4 21688 B13R1.643 CC(O)CNc1cc(ccn1)C#N 27a_100000210904_100011291639 [0,2,0,0,0,0|2,0,0]=4 21689 B13R1.643 CC(O)CNc1cccc(c1)C#N 34a_100000210922_100011218427 [0,2,0,0,0,0|1,0,0]=3 21690 B13R1.643 CC(O)CNc1cccc(c1)C#N 7a_100000210922_100011218427 [0,2,0,0,0,0|1,0,0]=3 21691 B13R1.643 CC(O)CNc1cccc(c1)CF 2230a_100000126320_100011218427 [0,2,0,0,0,0|1,0,0]=3 21692 B13R1.643 CC(O)CNc1cccc(c1)CF 34a_100000126320_100011218427 [0,2,0,0,0,0|1,0,0]=3 21693 B13R1.643 CC(O)CNc1cccc(c1)CF 7a_100000126320_100011218427 [0,2,0,0,0,0|1,0,0]=3 21694 B13R1.643 CC(O)CNc1cccc(c1)CO 2230a_100000211919_100011218427 [0,2,0,0,0,0|1,0,0]=3 21695 B13R1.643 CC(O)CNc1cccc(c1)CO 34a_100000211919_100011218427 [0,2,0,0,0,0|1,0,0]=3 21696 B13R1.643 CC(O)CNc1cccc(n1)C#N 27a_100000210904_100011934037 [0,2,0,0,0,0|2,0,0]=4 21697 B13R1.643 CC(O)CNc1ccnc(c1)C#N 27a_100000210904_100000685610 [0,2,0,0,0,0|2,0,0]=4 21698 B13R1.643 CC(O)CNc1ccnc(c1)CO 27a_100000210904_100000748867 [0,2,0,0,0,0|2,0,0]=4 21699 B13R1.643 CC(O)COc1cc(ccn1)CN 34a_100000748557_100011218427 [0,2,0,0,0,0|2,0,0]=4 21700 B13R1.643 CC(O)COc1cccc(c1)C#N 34a_100000184713_100011218427 [0,2,0,0,0,0|1,0,0]=3 21701 B13R1.643 CC(O)COc1cccc(c1)C#N 7a_100000184713_100011218427 [0,2,0,0,0,0|1,0,0]=3 21702 B13R1.643 CC(O)COc1cccc(c1)CBr 34a_100011660834_100011218427 [0,2,0,0,0,0|1,0,0]=3 21703 B13R1.643 CC(O)COc1cccc(c1)CBr 7a_100011660834_100011218427 [0,2,0,0,0,0|1,0,0]=3 21704 B13R1.643 CC(O)COc1cccc(c1)CCl 34a_100000084143_100011218427 [0,2,0,0,0,0|1,0,0]=3 21705 B13R1.643 CC(O)COc1cccc(c1)CCl 7a_100000084143_100011218427 [0,2,0,0,0,0|1,0,0]=3 21706 B13R1.643 CC(O)COc1cccc(c1)CN 34a_100000743036_100011218427 [0,2,0,0,0,0|1,0,0]=3 21707 B13R1.643 CC(O)COc1cccc(c1)CO 34a_100011214949_100011218427 [0,2,0,0,0,0|1,0,0]=3 21708 B13R1.643 CC(O)COc1cccc(c1)CO 7a_100011214949_100011218427 [0,2,0,0,0,0|1,0,0]=3 21709 B13R1.643 CC(O)COc1ccnc(c1)C#N 34a_100011777083_100011218427 [0,2,0,0,0,0|2,0,0]=4 21710 B13R1.643 CC(O)COc1ccnc(c1)C#N 7a_100011777083_100011218427 [0,2,0,0,0,0|2,0,0]=4 21711 B13R1.643 CC(O)COc1cncc(c1)C#N 34a_100012002025_100011218427 [0,2,0,0,0,0|2,0,0]=4 21712 B13R1.643 CC(O)COc1cncc(c1)C#N 7a_100012002025_100011218427 [0,2,0,0,0,0|2,0,0]=4 21713 B13R1.643 CC(O)CSc1cc(ccn1)C#N 62a_100011218427_100011291639 [0,2,0,0,0,0|2,0,0]=4 21714 B13R1.643 CC(O)CSc1cc(ccn1)C=O 62a_100011218427_100011290808 [0,2,0,0,0,0|2,0,0]=4 21715 B13R1.643 CC(O)CSc1cc(ccn1)C=O 62a_100011290808_100011218427 [0,2,0,0,0,0|2,0,0]=4 21716 B13R1.643 CC(O)CSc1cc(ccn1)CN 62a_100011218427_100025757509 [0,2,0,0,0,0|2,0,0]=4 21717 B13R1.643 CC(O)CSc1cc(ccn1)CN 62a_100025757509_100011218427 [0,2,0,0,0,0|2,0,0]=4 21718 B13R1.643 CC(O)CSc1cc(ccn1)CO 62a_100009814636_100011218427 [0,2,0,0,0,0|2,0,0]=4 21719 B13R1.643 CC(O)CSc1cc(ccn1)CO 62a_100011218427_100009814636 [0,2,0,0,0,0|2,0,0]=4 21720 B13R1.643 CC(O)CSc1cc(ccn1)NN 62a_100000089018_100011218427 [0,2,0,0,0,0|2,0,0]=4 21721 B13R1.643 CC(O)CSc1cc(ccn1)NN 62a_100011218427_100000089018 [0,2,0,0,0,0|2,0,0]=4 21722 B13R1.643 CC(O)CSc1cccc(c1)C#N 62a_100011218427_100000189340 [0,2,0,0,0,0|1,0,0]=3 21723 B13R1.643 CC(O)CSc1cccc(c1)C=O 62a_100000014684_100011218427 [0,2,0,0,0,0|1,0,0]=3 21724 B13R1.643 CC(O)CSc1cccc(c1)C=O 62a_100011218427_100000014684 [0,2,0,0,0,0|1,0,0]=3 21725 B13R1.643 CC(O)CSc1cccc(c1)CF 62a_100010878472_100011218427 [0,2,0,0,0,0|1,0,0]=3 21726 B13R1.643 CC(O)CSc1cccc(c1)CF 62a_100011218427_100010878472 [0,2,0,0,0,0|1,0,0]=3 21727 B13R1.643 CC(O)CSc1cccc(c1)CN 62a_100000106179_100011218427 [0,2,0,0,0,0|1,0,0]=3 21728 B13R1.643 CC(O)CSc1cccc(c1)CN 62a_100011218427_100000106179 [0,2,0,0,0,0|1,0,0]=3 21729 B13R1.643 CC(O)CSc1cccc(c1)CO 62a_100000687537_100011218427 [0,2,0,0,0,0|1,0,0]=3 21730 B13R1.643 CC(O)CSc1cccc(c1)CO 62a_100011218427_100000687537 [0,2,0,0,0,0|1,0,0]=3 21731 B13R1.643 CC(O)CSc1cccc(c1)NN 62a_100000217339_100011218427 [0,2,0,0,0,0|1,0,0]=3 21732 B13R1.643 CC(O)CSc1cccc(c1)NN 62a_100011218427_100000217339 [0,2,0,0,0,0|1,0,0]=3 21733 B13R1.643 CC(O)CSc1cccc(n1)C#N 62a_100011218427_100011934037 [0,2,0,0,0,0|2,0,0]=4 21734 B13R1.643 CC(O)CSc1cccc(n1)C=O 62a_100000688028_100011218427 [0,2,0,0,0,0|2,0,0]=4 21735 B13R1.643 CC(O)CSc1cccc(n1)C=O 62a_100011218427_100000688028 [0,2,0,0,0,0|2,0,0]=4 21736 B13R1.643 CC(O)CSc1cccc(n1)CN 62a_100011218427_100016990191 [0,2,0,0,0,0|2,0,0]=4 21737 B13R1.643 CC(O)CSc1cccc(n1)CN 62a_100016990191_100011218427 [0,2,0,0,0,0|2,0,0]=4 21738 B13R1.643 CC(O)CSc1cccc(n1)CO 62a_100000694195_100011218427 [0,2,0,0,0,0|2,0,0]=4 21739 B13R1.643 CC(O)CSc1cccc(n1)CO 62a_100011218427_100000694195 [0,2,0,0,0,0|2,0,0]=4 21740 B13R1.643 CC(O)CSc1cccc(n1)NN 62a_100009817029_100011218427 [0,2,0,0,0,0|2,0,0]=4 21741 B13R1.643 CC(O)CSc1cccc(n1)NN 62a_100011218427_100009817029 [0,2,0,0,0,0|2,0,0]=4 21742 B13R1.643 CC(O)CSc1ccnc(c1)C#N 62a_100011218427_100000685610 [0,2,0,0,0,0|2,0,0]=4 21743 B13R1.643 CC(O)CSc1ccnc(c1)C=O 62a_100011218427_100011998288 [0,2,0,0,0,0|2,0,0]=4 21744 B13R1.643 CC(O)CSc1ccnc(c1)C=O 62a_100011998288_100011218427 [0,2,0,0,0,0|2,0,0]=4 21745 B13R1.643 CC(O)CSc1ccnc(c1)CN 62a_100000085674_100011218427 [0,2,0,0,0,0|2,0,0]=4 21746 B13R1.643 CC(O)CSc1ccnc(c1)CN 62a_100011218427_100000085674 [0,2,0,0,0,0|2,0,0]=4 21747 B13R1.643 CC(O)CSc1ccnc(c1)CO 62a_100000748867_100011218427 [0,2,0,0,0,0|2,0,0]=4 21748 B13R1.643 CC(O)CSc1ccnc(c1)CO 62a_100011218427_100000748867 [0,2,0,0,0,0|2,0,0]=4 21749 B13R1.643 CC(O)CSc1ccnc(c1)NN 62a_100000764631_100011218427 [0,2,0,0,0,0|2,0,0]=4 21750 B13R1.643 CC(O)CSc1ccnc(c1)NN 62a_100011218427_100000764631 [0,2,0,0,0,0|2,0,0]=4 21751 B13R1.643 CC(O)CSc1cncc(c1)C#N 62a_100011218427_100000686085 [0,2,0,0,0,0|2,0,0]=4 21752 B13R1.643 CC(O)CSc1cncc(c1)C=O 62a_100000687066_100011218427 [0,2,0,0,0,0|2,0,0]=4 21753 B13R1.643 CC(O)CSc1cncc(c1)C=O 62a_100011218427_100000687066 [0,2,0,0,0,0|2,0,0]=4 21754 B13R1.643 CC(O)CSc1cncc(c1)CN 62a_100011218427_100011249555 [0,2,0,0,0,0|2,0,0]=4 21755 B13R1.643 CC(O)CSc1cncc(c1)CN 62a_100011249555_100011218427 [0,2,0,0,0,0|2,0,0]=4 21756 B13R1.643 CC(O)CSc1cncc(c1)CO 62a_100011218427_100011259137 [0,2,0,0,0,0|2,0,0]=4 21757 B13R1.643 CC(O)CSc1cncc(c1)CO 62a_100011259137_100011218427 [0,2,0,0,0,0|2,0,0]=4 21758 B13R1.643 CC(O)CSc1cncc(c1)NN 62a_100000727789_100011218427 [0,2,0,0,0,0|2,0,0]=4 21759 B13R1.643 CC(O)CSc1cncc(c1)NN 62a_100011218427_100000727789 [0,2,0,0,0,0|2,0,0]=4 21760 B13R1.643 CC[n+]1cccc(c1)OCC(C)O 34a_100000731997_100011218427 [0,2,0,0,0,0|2,0,0]=4 21761 B13R1.643 CC[n+]1cccc(c1)OCC(C)O 7a_100000731997_100011218427 [0,2,0,0,0,0|2,0,0]=4 21762 B13R1.643 CC[n+]1cccc(c1)OC[C@@H](C)O 34a_100000731997_100009817552 [0,2,0,0,0,0|2,0,0]=4 21763 B13R1.643 CC[n+]1cccc(c1)OC[C@@H](C)O 7a_100000731997_100009817552 [0,2,0,0,0,0|2,0,0]=4 21764 B13R1.643 CCc1cc(ccn1)NCC(C)O 27a_100000210904_100009820011 [0,2,0,0,0,0|2,0,0]=4 21765 B13R1.643 CCc1cc(ccn1)SCC(C)O 62a_100009820011_100011218427 [0,2,0,0,0,0|2,0,0]=4 21766 B13R1.643 CCc1cc(ccn1)SCC(C)O 62a_100011218427_100009820011 [0,2,0,0,0,0|2,0,0]=4 21767 B13R1.643 CCc1cc(ccn1)SC[C@@H](C)O 62a_100009817552_100009820011 [0,2,0,0,0,0|2,0,0]=4 21768 B13R1.643 CCc1cc(ccn1)SC[C@@H](C)O 62a_100009820011_100009817552 [0,2,0,0,0,0|2,0,0]=4 21769 B13R1.643 CCc1cccc(c1)C=CC(C)O 271570a_200011019289_100000684523 [0,2,0,0,0,0|0,0,2]=4 21770 B13R1.643 CCc1cccc(c1)CNC(C)C 207a_100138425928_100011999841 [0,2,0,0,0,0|2,0,0]=4 21771 B13R1.643 CCc1cccc(c1)NCC(C)C 2230a_100000211250_100000210760 [0,2,0,0,0,0|2,0,0]=4 21772 B13R1.643 CCc1cccc(c1)NCC(C)C 34a_100000211250_100000210624 [0,2,0,0,0,0|2,0,0]=4 21773 B13R1.643 CCc1cccc(c1)NCC(C)C 7a_100000211250_100000210760 [0,2,0,0,0,0|2,0,0]=4 21774 B13R1.643 CCc1cccc(c1)NCC(C)O 2230a_100000211250_100011218427 [0,2,0,0,0,0|1,0,0]=3 21775 B13R1.643 CCc1cccc(c1)NCC(C)O 34a_100000211250_100011218427 [0,2,0,0,0,0|1,0,0]=3 21776 B13R1.643 CCc1cccc(c1)NCC(C)O 7a_100000211250_100011218427 [0,2,0,0,0,0|1,0,0]=3 21777 B13R1.643 CCc1cccc(c1)NC[C@@H](C)O 2230a_100000211250_100009817552 [0,2,0,0,0,0|1,0,0]=3 21778 B13R1.643 CCc1cccc(c1)NC[C@@H](C)O 34a_100000211250_100009817552 [0,2,0,0,0,0|1,0,0]=3 21779 B13R1.643 CCc1cccc(c1)NC[C@@H](C)O 7a_100000211250_100009817552 [0,2,0,0,0,0|1,0,0]=3 21780 B13R1.643 CCc1cccc(c1)OCC(C)C 34a_100000211550_100000210624 [0,2,0,0,0,0|2,0,0]=4 21781 B13R1.643 CCc1cccc(c1)OCC(C)C 7a_100000211550_100000210760 [0,2,0,0,0,0|2,0,0]=4 21782 B13R1.643 CCc1cccc(c1)OCC(C)O 34a_100000211550_100011218427 [0,2,0,0,0,0|1,0,0]=3 21783 B13R1.643 CCc1cccc(c1)OCC(C)O 7a_100000211550_100011218427 [0,2,0,0,0,0|1,0,0]=3 21784 B13R1.643 CCc1cccc(c1)OC[C@@H](C)O 34a_100000211550_100009817552 [0,2,0,0,0,0|1,0,0]=3 21785 B13R1.643 CCc1cccc(c1)OC[C@@H](C)O 7a_100000211550_100009817552 [0,2,0,0,0,0|1,0,0]=3 21786 B13R1.643 CCc1cccc(c1)SCC(C)C 62a_100000210624_100011263222 [0,2,0,0,0,0|2,0,0]=4 21787 B13R1.643 CCc1cccc(c1)SCC(C)C 62a_100011263222_100000210760 [0,2,0,0,0,0|2,0,0]=4 21788 B13R1.643 CCc1cccc(c1)SCC(C)O 62a_100011218427_100011263222 [0,2,0,0,0,0|1,0,0]=3 21789 B13R1.643 CCc1cccc(c1)SCC(C)O 62a_100011263222_100011218427 [0,2,0,0,0,0|1,0,0]=3 21790 B13R1.643 CCc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011263222 [0,2,0,0,0,0|1,0,0]=3 21791 B13R1.643 CCc1cccc(c1)SC[C@@H](C)O 62a_100011263222_100009817552 [0,2,0,0,0,0|1,0,0]=3 21792 B13R1.643 CCc1cccc(n1)SCC(C)O 62a_100009856026_100011218427 [0,2,0,0,0,0|2,0,0]=4 21793 B13R1.643 CCc1cccc(n1)SCC(C)O 62a_100011218427_100009856026 [0,2,0,0,0,0|2,0,0]=4 21794 B13R1.643 CCc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100009856026 [0,2,0,0,0,0|2,0,0]=4 21795 B13R1.643 CCc1cccc(n1)SC[C@@H](C)O 62a_100009856026_100009817552 [0,2,0,0,0,0|2,0,0]=4 21796 B13R1.643 CCc1ccnc(c1)NCC(C)O 27a_100000210904_100009817561 [0,2,0,0,0,0|2,0,0]=4 21797 B13R1.643 CCc1ccnc(c1)SCC(C)O 62a_100009817561_100011218427 [0,2,0,0,0,0|2,0,0]=4 21798 B13R1.643 CCc1ccnc(c1)SCC(C)O 62a_100011218427_100009817561 [0,2,0,0,0,0|2,0,0]=4 21799 B13R1.643 CCc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100009817561 [0,2,0,0,0,0|2,0,0]=4 21800 B13R1.643 CCc1ccnc(c1)SC[C@@H](C)O 62a_100009817561_100009817552 [0,2,0,0,0,0|2,0,0]=4 21801 B13R1.643 CCc1cncc(c1)OCC(C)O 34a_200009861530_100011218427 [0,2,0,0,0,0|2,0,0]=4 21802 B13R1.643 CCc1cncc(c1)OCC(C)O 7a_200009861530_100011218427 [0,2,0,0,0,0|2,0,0]=4 21803 B13R1.643 CCc1cncc(c1)OC[C@@H](C)O 34a_200009861530_100009817552 [0,2,0,0,0,0|2,0,0]=4 21804 B13R1.643 CCc1cncc(c1)OC[C@@H](C)O 7a_200009861530_100009817552 [0,2,0,0,0,0|2,0,0]=4 21805 B13R1.643 CCc1cncc(c1)SCC(C)O 62a_100011218427_200009819073 [0,2,0,0,0,0|2,0,0]=4 21806 B13R1.643 CCc1cncc(c1)SCC(C)O 62a_200009819073_100011218427 [0,2,0,0,0,0|2,0,0]=4 21807 B13R1.643 CCc1cncc(c1)SC[C@@H](C)O 62a_100009817552_200009819073 [0,2,0,0,0,0|2,0,0]=4 21808 B13R1.643 CCc1cncc(c1)SC[C@@H](C)O 62a_200009819073_100009817552 [0,2,0,0,0,0|2,0,0]=4 21809 B13R1.643 CNc1cc(ccn1)SCC(C)O 62a_100009819592_100011218427 [0,2,0,0,0,0|2,0,0]=4 21810 B13R1.643 CNc1cc(ccn1)SCC(C)O 62a_100011218427_100009819592 [0,2,0,0,0,0|2,0,0]=4 21811 B13R1.643 CNc1cc(ccn1)SC[C@@H](C)O 62a_100009817552_100009819592 [0,2,0,0,0,0|2,0,0]=4 21812 B13R1.643 CNc1cc(ccn1)SC[C@@H](C)O 62a_100009819592_100009817552 [0,2,0,0,0,0|2,0,0]=4 21813 B13R1.643 CNc1cccc(c1)C=CC(C)O 271570a_200011019289_100000219648 [0,2,0,0,0,0|0,0,2]=4 21814 B13R1.643 CNc1cccc(c1)OCC(C)C 27a_100102657272_200000170005 [0,2,0,0,0,0|2,0,0]=4 21815 B13R1.643 CNc1cccc(c1)OCC(C)C 34a_100000756613_100000210624 [0,2,0,0,0,0|2,0,0]=4 21816 B13R1.643 CNc1cccc(c1)OCC(C)C 7a_100000756613_100000210760 [0,2,0,0,0,0|2,0,0]=4 21817 B13R1.643 CNc1cccc(c1)OCC(C)O 34a_100000756613_100011218427 [0,2,0,0,0,0|1,0,0]=3 21818 B13R1.643 CNc1cccc(c1)OCC(C)O 7a_100000756613_100011218427 [0,2,0,0,0,0|1,0,0]=3 21819 B13R1.643 CNc1cccc(c1)OC[C@@H](C)O 34a_100000756613_100009817552 [0,2,0,0,0,0|1,0,0]=3 21820 B13R1.643 CNc1cccc(c1)OC[C@@H](C)O 7a_100000756613_100009817552 [0,2,0,0,0,0|1,0,0]=3 21821 B13R1.643 CNc1cccc(c1)SCC(C)C 62a_100000210624_100000219648 [0,2,0,0,0,0|2,0,0]=4 21822 B13R1.643 CNc1cccc(c1)SCC(C)C 62a_100000219648_100000210760 [0,2,0,0,0,0|2,0,0]=4 21823 B13R1.643 CNc1cccc(c1)SCC(C)O 62a_100000219648_100011218427 [0,2,0,0,0,0|1,0,0]=3 21824 B13R1.643 CNc1cccc(c1)SCC(C)O 62a_100011218427_100000219648 [0,2,0,0,0,0|1,0,0]=3 21825 B13R1.643 CNc1cccc(c1)SC[C@@H](C)O 62a_100000219648_100009817552 [0,2,0,0,0,0|1,0,0]=3 21826 B13R1.643 CNc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100000219648 [0,2,0,0,0,0|1,0,0]=3 21827 B13R1.643 CNc1cccc(n1)SCC(C)O 62a_100000703281_100011218427 [0,2,0,0,0,0|2,0,0]=4 21828 B13R1.643 CNc1cccc(n1)SCC(C)O 62a_100011218427_100000703281 [0,2,0,0,0,0|2,0,0]=4 21829 B13R1.643 CNc1cccc(n1)SC[C@@H](C)O 62a_100000703281_100009817552 [0,2,0,0,0,0|2,0,0]=4 21830 B13R1.643 CNc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100000703281 [0,2,0,0,0,0|2,0,0]=4 21831 B13R1.643 CNc1ccnc(c1)SCC(C)O 62a_100009869472_100011218427 [0,2,0,0,0,0|2,0,0]=4 21832 B13R1.643 CNc1ccnc(c1)SCC(C)O 62a_100011218427_100009869472 [0,2,0,0,0,0|2,0,0]=4 21833 B13R1.643 CNc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100009869472 [0,2,0,0,0,0|2,0,0]=4 21834 B13R1.643 CNc1ccnc(c1)SC[C@@H](C)O 62a_100009869472_100009817552 [0,2,0,0,0,0|2,0,0]=4 21835 B13R1.643 CNc1cncc(c1)SCC(C)O 62a_100011218427_100012184536 [0,2,0,0,0,0|2,0,0]=4 21836 B13R1.643 CNc1cncc(c1)SCC(C)O 62a_100012184536_100011218427 [0,2,0,0,0,0|2,0,0]=4 21837 B13R1.643 CNc1cncc(c1)SC[C@@H](C)O 62a_100009817552_100012184536 [0,2,0,0,0,0|2,0,0]=4 21838 B13R1.643 CNc1cncc(c1)SC[C@@H](C)O 62a_100012184536_100009817552 [0,2,0,0,0,0|2,0,0]=4 21839 B13R1.643 COc1cc(ccn1)OCC(C)O 34a_100012181050_100011218427 [0,2,0,0,0,0|2,0,0]=4 21840 B13R1.643 COc1cc(ccn1)OC[C@@H](C)O 34a_100012181050_100009817552 [0,2,0,0,0,0|2,0,0]=4 21841 B13R1.643 COc1cc(ccn1)SCC(C)O 62a_100000117307_100011218427 [0,2,0,0,0,0|2,0,0]=4 21842 B13R1.643 COc1cc(ccn1)SCC(C)O 62a_100011218427_100000117307 [0,2,0,0,0,0|2,0,0]=4 21843 B13R1.643 COc1cc(ccn1)SC[C@@H](C)O 62a_100000117307_100009817552 [0,2,0,0,0,0|2,0,0]=4 21844 B13R1.643 COc1cc(ccn1)SC[C@@H](C)O 62a_100009817552_100000117307 [0,2,0,0,0,0|2,0,0]=4 21845 B13R1.643 COc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170001 [0,2,0,0,0,0|0,0,2]=4 21846 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [0,2,0,0,0,0|0,0,2]=4 21847 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [0,2,0,0,0,0|0,0,2]=4 21848 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [0,2,0,0,0,0|0,0,2]=4 21849 B13R1.643 COc1cccc(c1)CCN(C)C 2230a_100011269071_200000210301 [0,2,0,0,0,0|2,0,0]=4 21850 B13R1.643 COc1cccc(c1)CCN(C)C 2230a_100102631434_100011713679 [0,2,0,0,0,0|2,0,0]=4 21851 B13R1.643 COc1cccc(c1)CCN(C)C 269982a_100011269071_200000210301 [0,2,0,0,0,0|2,0,0]=4 21852 B13R1.643 COc1cccc(c1)CCN(C)C 269982a_100102631434_100011713679 [0,2,0,0,0,0|2,0,0]=4 21853 B13R1.643 COc1cccc(c1)CCN(C)C 34a_100011269071_200000210301 [0,2,0,0,0,0|2,0,0]=4 21854 B13R1.643 COc1cccc(c1)CCN(C)[13CH3] 2230a_100011269071_200025704644 [0,2,0,0,0,0|2,0,0]=4 21855 B13R1.643 COc1cccc(c1)CCN(C)[13CH3] 269982a_100011269071_200025704644 [0,2,0,0,0,0|2,0,0]=4 21856 B13R1.643 COc1cccc(c1)CCN(C)[13CH3] 34a_100011269071_200025704644 [0,2,0,0,0,0|2,0,0]=4 21857 B13R1.643 COc1cccc(c1)CNC(C)C 207a_100138425928_100000170238 [0,2,0,0,0,0|2,0,0]=4 21858 B13R1.643 COc1cccc(c1)CNC(C)C 2230a_100000174954_100000210206 [0,2,0,0,0,0|2,0,0]=4 21859 B13R1.643 COc1cccc(c1)CNC(C)C 2230a_100138425928_100000211672 [0,2,0,0,0,0|2,0,0]=4 21860 B13R1.643 COc1cccc(c1)CNC(C)C 34a_100000174954_100000210206 [0,2,0,0,0,0|2,0,0]=4 21861 B13R1.643 COc1cccc(c1)CNC(C)C 34a_100138425928_100000688526 [0,2,0,0,0,0|2,0,0]=4 21862 B13R1.643 COc1cccc(c1)COC(C)C 34a_100000198976_100000210206 [0,2,0,0,0,0|2,0,0]=4 21863 B13R1.643 COc1cccc(c1)COC(C)C 34a_100000212225_100000688526 [0,2,0,0,0,0|2,0,0]=4 21864 B13R1.643 COc1cccc(c1)CSC(C)C 62a_100000210206_100000211672 [0,2,0,0,0,0|2,0,0]=4 21865 B13R1.643 COc1cccc(c1)CSC(C)C 62a_100000688526_100000210206 [0,2,0,0,0,0|2,0,0]=4 21866 B13R1.643 COc1cccc(c1)NCC(C)C 34a_100000210024_100000210624 [0,2,0,0,0,0|2,0,0]=4 21867 B13R1.643 COc1cccc(c1)NCC(C)O 34a_100000210024_100011218427 [0,2,0,0,0,0|1,0,0]=3 21868 B13R1.643 COc1cccc(c1)NC[C@@H](C)O 34a_100000210024_100009817552 [0,2,0,0,0,0|1,0,0]=3 21869 B13R1.643 COc1cccc(c1)OCC(C)C 34a_100000211255_100000210624 [0,2,0,0,0,0|2,0,0]=4 21870 B13R1.643 COc1cccc(c1)OCC(C)C 7a_100000211255_100000210760 [0,2,0,0,0,0|2,0,0]=4 21871 B13R1.643 COc1cccc(c1)OCC(C)O 34a_100000211255_100011218427 [0,2,0,0,0,0|1,0,0]=3 21872 B13R1.643 COc1cccc(c1)OCC(C)O 7a_100000211255_100011218427 [0,2,0,0,0,0|1,0,0]=3 21873 B13R1.643 COc1cccc(c1)OC[C@@H](C)O 34a_100000211255_100009817552 [0,2,0,0,0,0|1,0,0]=3 21874 B13R1.643 COc1cccc(c1)OC[C@@H](C)O 7a_100000211255_100009817552 [0,2,0,0,0,0|1,0,0]=3 21875 B13R1.643 COc1cccc(c1)SCC(C)C 62a_100000210624_100000170001 [0,2,0,0,0,0|2,0,0]=4 21876 B13R1.643 COc1cccc(c1)SCC(C)O 62a_100011218427_100000170001 [0,2,0,0,0,0|1,0,0]=3 21877 B13R1.643 COc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100000170001 [0,2,0,0,0,0|1,0,0]=3 21878 B13R1.643 COc1cccc(n1)SCC(C)O 62a_100000760917_100011218427 [0,2,0,0,0,0|2,0,0]=4 21879 B13R1.643 COc1cccc(n1)SCC(C)O 62a_100011218427_100000760917 [0,2,0,0,0,0|2,0,0]=4 21880 B13R1.643 COc1cccc(n1)SC[C@@H](C)O 62a_100000760917_100009817552 [0,2,0,0,0,0|2,0,0]=4 21881 B13R1.643 COc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100000760917 [0,2,0,0,0,0|2,0,0]=4 21882 B13R1.643 COc1ccnc(c1)SCC(C)O 62a_100009817693_100011218427 [0,2,0,0,0,0|2,0,0]=4 21883 B13R1.643 COc1ccnc(c1)SCC(C)O 62a_100011218427_100011216251 [0,2,0,0,0,0|2,0,0]=4 21884 B13R1.643 COc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100011216251 [0,2,0,0,0,0|2,0,0]=4 21885 B13R1.643 COc1ccnc(c1)SC[C@@H](C)O 62a_100009817693_100009817552 [0,2,0,0,0,0|2,0,0]=4 21886 B13R1.643 COc1cncc(c1)OCC(C)O 34a_100000084572_100011218427 [0,2,0,0,0,0|2,0,0]=4 21887 B13R1.643 COc1cncc(c1)OCC(C)O 7a_100000084572_100011218427 [0,2,0,0,0,0|2,0,0]=4 21888 B13R1.643 COc1cncc(c1)OC[C@@H](C)O 34a_100000084572_100009817552 [0,2,0,0,0,0|2,0,0]=4 21889 B13R1.643 COc1cncc(c1)OC[C@@H](C)O 7a_100000084572_100009817552 [0,2,0,0,0,0|2,0,0]=4 21890 B13R1.643 COc1cncc(c1)SCC(C)O 62a_100000050176_100011218427 [0,2,0,0,0,0|2,0,0]=4 21891 B13R1.643 COc1cncc(c1)SCC(C)O 62a_100011218427_100000050176 [0,2,0,0,0,0|2,0,0]=4 21892 B13R1.643 COc1cncc(c1)SC[C@@H](C)O 62a_100000050176_100009817552 [0,2,0,0,0,0|2,0,0]=4 21893 B13R1.643 COc1cncc(c1)SC[C@@H](C)O 62a_100009817552_100000050176 [0,2,0,0,0,0|2,0,0]=4 21894 B13R1.643 CSc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215954 [0,2,0,0,0,0|0,0,2]=4 21895 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_100011279149_200000210301 [0,2,0,0,0,0|0,0,2]=4 21896 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_200000210301_100011279149 [0,2,0,0,0,0|0,0,2]=4 21897 B13R1.643 CSc1cccc(c1)CNC(C)C 207a_100138425928_100011935093 [0,2,0,0,0,0|2,0,0]=4 21898 B13R1.643 CSc1cccc(c1)CNC(C)C 62a_100000195767_200000210301 [0,2,0,0,0,0|2,0,0]=4 21899 B13R1.643 CSc1cccc(c1)CNC(C)C 62a_200000210301_100000195767 [0,2,0,0,0,0|2,0,0]=4 21900 B13R1.643 CSc1cccc(c1)NCC(C)C 2230a_100000210049_100000210760 [0,2,0,0,0,0|2,0,0]=4 21901 B13R1.643 CSc1cccc(c1)NCC(C)C 34a_100000210049_100000210624 [0,2,0,0,0,0|2,0,0]=4 21902 B13R1.643 CSc1cccc(c1)NCC(C)O 2230a_100000210049_100011218427 [0,2,0,0,0,0|1,0,0]=3 21903 B13R1.643 CSc1cccc(c1)NCC(C)O 34a_100000210049_100011218427 [0,2,0,0,0,0|1,0,0]=3 21904 B13R1.643 CSc1cccc(c1)NC[C@@H](C)O 2230a_100000210049_100009817552 [0,2,0,0,0,0|1,0,0]=3 21905 B13R1.643 CSc1cccc(c1)NC[C@@H](C)O 34a_100000210049_100009817552 [0,2,0,0,0,0|1,0,0]=3 21906 B13R1.643 CSc1cccc(c1)OCC(C)C 34a_100011265683_100000210624 [0,2,0,0,0,0|2,0,0]=4 21907 B13R1.643 CSc1cccc(c1)OCC(C)C 62a_200000170005_200000210301 [0,2,0,0,0,0|2,0,0]=4 21908 B13R1.643 CSc1cccc(c1)OCC(C)C 62a_200000210301_200000170005 [0,2,0,0,0,0|2,0,0]=4 21909 B13R1.643 CSc1cccc(c1)OCC(C)C 7a_100011265683_100000210760 [0,2,0,0,0,0|2,0,0]=4 21910 B13R1.643 CSc1cccc(c1)OCC(C)O 34a_100011265683_100011218427 [0,2,0,0,0,0|1,0,0]=3 21911 B13R1.643 CSc1cccc(c1)OCC(C)O 7a_100011265683_100011218427 [0,2,0,0,0,0|1,0,0]=3 21912 B13R1.643 CSc1cccc(c1)OC[C@@H](C)O 34a_100011265683_100009817552 [0,2,0,0,0,0|1,0,0]=3 21913 B13R1.643 CSc1cccc(c1)OC[C@@H](C)O 7a_100011265683_100009817552 [0,2,0,0,0,0|1,0,0]=3 21914 B13R1.643 CSc1cccc(c1)SCC(C)C 62a_100000210624_100011215954 [0,2,0,0,0,0|2,0,0]=4 21915 B13R1.643 CSc1cccc(c1)SCC(C)C 62a_100011215954_100000210760 [0,2,0,0,0,0|2,0,0]=4 21916 B13R1.643 CSc1cccc(c1)SCC(C)O 62a_100011215954_100011218427 [0,2,0,0,0,0|1,0,0]=3 21917 B13R1.643 CSc1cccc(c1)SCC(C)O 62a_100011218427_100011215954 [0,2,0,0,0,0|1,0,0]=3 21918 B13R1.643 CSc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215954 [0,2,0,0,0,0|1,0,0]=3 21919 B13R1.643 CSc1cccc(c1)SC[C@@H](C)O 62a_100011215954_100009817552 [0,2,0,0,0,0|1,0,0]=3 21920 B13R1.643 CSc1cccc(n1)SCC(C)O 62a_100011218427_100011960944 [0,2,0,0,0,0|2,0,0]=4 21921 B13R1.643 CSc1cccc(n1)SCC(C)O 62a_100011960944_100011218427 [0,2,0,0,0,0|2,0,0]=4 21922 B13R1.643 CSc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100011960944 [0,2,0,0,0,0|2,0,0]=4 21923 B13R1.643 CSc1cccc(n1)SC[C@@H](C)O 62a_100011960944_100009817552 [0,2,0,0,0,0|2,0,0]=4 21924 B13R1.643 CSc1ccnc(c1)SCC(C)O 62a_100010883326_100011218427 [0,2,0,0,0,0|2,0,0]=4 21925 B13R1.643 CSc1ccnc(c1)SCC(C)O 62a_100011218427_100010883326 [0,2,0,0,0,0|2,0,0]=4 21926 B13R1.643 CSc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100010883326 [0,2,0,0,0,0|2,0,0]=4 21927 B13R1.643 CSc1ccnc(c1)SC[C@@H](C)O 62a_100010883326_100009817552 [0,2,0,0,0,0|2,0,0]=4 21928 B13R1.643 CSc1cncc(c1)SCC(C)O 62a_100009816972_100011218427 [0,2,0,0,0,0|2,0,0]=4 21929 B13R1.643 CSc1cncc(c1)SCC(C)O 62a_100011218427_100009816972 [0,2,0,0,0,0|2,0,0]=4 21930 B13R1.643 CSc1cncc(c1)SC[C@@H](C)O 62a_100009816972_100009817552 [0,2,0,0,0,0|2,0,0]=4 21931 B13R1.643 CSc1cncc(c1)SC[C@@H](C)O 62a_100009817552_100009816972 [0,2,0,0,0,0|2,0,0]=4 21932 B13R1.643 C[C@@H](O)CNc1cccc(c1)C#N 34a_100000210922_100009817552 [0,2,0,0,0,0|1,0,0]=3 21933 B13R1.643 C[C@@H](O)CNc1cccc(c1)C#N 7a_100000210922_100009817552 [0,2,0,0,0,0|1,0,0]=3 21934 B13R1.643 C[C@@H](O)CNc1cccc(c1)CF 2230a_100000126320_100009817552 [0,2,0,0,0,0|1,0,0]=3 21935 B13R1.643 C[C@@H](O)CNc1cccc(c1)CF 34a_100000126320_100009817552 [0,2,0,0,0,0|1,0,0]=3 21936 B13R1.643 C[C@@H](O)CNc1cccc(c1)CF 7a_100000126320_100009817552 [0,2,0,0,0,0|1,0,0]=3 21937 B13R1.643 C[C@@H](O)CNc1cccc(c1)CO 2230a_100000211919_100009817552 [0,2,0,0,0,0|1,0,0]=3 21938 B13R1.643 C[C@@H](O)CNc1cccc(c1)CO 34a_100000211919_100009817552 [0,2,0,0,0,0|1,0,0]=3 21939 B13R1.643 C[C@@H](O)COc1cc(ccn1)CN 34a_100000748557_100009817552 [0,2,0,0,0,0|2,0,0]=4 21940 B13R1.643 C[C@@H](O)COc1cccc(c1)C#N 34a_100000184713_100009817552 [0,2,0,0,0,0|1,0,0]=3 21941 B13R1.643 C[C@@H](O)COc1cccc(c1)C#N 7a_100000184713_100009817552 [0,2,0,0,0,0|1,0,0]=3 21942 B13R1.643 C[C@@H](O)COc1cccc(c1)CBr 34a_100011660834_100009817552 [0,2,0,0,0,0|1,0,0]=3 21943 B13R1.643 C[C@@H](O)COc1cccc(c1)CBr 7a_100011660834_100009817552 [0,2,0,0,0,0|1,0,0]=3 21944 B13R1.643 C[C@@H](O)COc1cccc(c1)CCl 34a_100000084143_100009817552 [0,2,0,0,0,0|1,0,0]=3 21945 B13R1.643 C[C@@H](O)COc1cccc(c1)CCl 7a_100000084143_100009817552 [0,2,0,0,0,0|1,0,0]=3 21946 B13R1.643 C[C@@H](O)COc1cccc(c1)CN 34a_100000743036_100009817552 [0,2,0,0,0,0|1,0,0]=3 21947 B13R1.643 C[C@@H](O)COc1cccc(c1)CO 34a_100011214949_100009817552 [0,2,0,0,0,0|1,0,0]=3 21948 B13R1.643 C[C@@H](O)COc1cccc(c1)CO 7a_100011214949_100009817552 [0,2,0,0,0,0|1,0,0]=3 21949 B13R1.643 C[C@@H](O)COc1ccnc(c1)C#N 34a_100011777083_100009817552 [0,2,0,0,0,0|2,0,0]=4 21950 B13R1.643 C[C@@H](O)COc1ccnc(c1)C#N 7a_100011777083_100009817552 [0,2,0,0,0,0|2,0,0]=4 21951 B13R1.643 C[C@@H](O)COc1cncc(c1)C#N 34a_100012002025_100009817552 [0,2,0,0,0,0|2,0,0]=4 21952 B13R1.643 C[C@@H](O)COc1cncc(c1)C#N 7a_100012002025_100009817552 [0,2,0,0,0,0|2,0,0]=4 21953 B13R1.643 C[C@@H](O)CSc1cc(ccn1)C#N 62a_100009817552_100011291639 [0,2,0,0,0,0|2,0,0]=4 21954 B13R1.643 C[C@@H](O)CSc1cc(ccn1)C=O 62a_100009817552_100011290808 [0,2,0,0,0,0|2,0,0]=4 21955 B13R1.643 C[C@@H](O)CSc1cc(ccn1)C=O 62a_100011290808_100009817552 [0,2,0,0,0,0|2,0,0]=4 21956 B13R1.643 C[C@@H](O)CSc1cc(ccn1)CN 62a_100009817552_100025757509 [0,2,0,0,0,0|2,0,0]=4 21957 B13R1.643 C[C@@H](O)CSc1cc(ccn1)CN 62a_100025757509_100009817552 [0,2,0,0,0,0|2,0,0]=4 21958 B13R1.643 C[C@@H](O)CSc1cc(ccn1)CO 62a_100009814636_100009817552 [0,2,0,0,0,0|2,0,0]=4 21959 B13R1.643 C[C@@H](O)CSc1cc(ccn1)CO 62a_100009817552_100009814636 [0,2,0,0,0,0|2,0,0]=4 21960 B13R1.643 C[C@@H](O)CSc1cc(ccn1)NN 62a_100000089018_100009817552 [0,2,0,0,0,0|2,0,0]=4 21961 B13R1.643 C[C@@H](O)CSc1cc(ccn1)NN 62a_100009817552_100000089018 [0,2,0,0,0,0|2,0,0]=4 21962 B13R1.643 C[C@@H](O)CSc1cccc(c1)C#N 62a_100009817552_100000189340 [0,2,0,0,0,0|1,0,0]=3 21963 B13R1.643 C[C@@H](O)CSc1cccc(c1)C=O 62a_100000014684_100009817552 [0,2,0,0,0,0|1,0,0]=3 21964 B13R1.643 C[C@@H](O)CSc1cccc(c1)C=O 62a_100009817552_100000014684 [0,2,0,0,0,0|1,0,0]=3 21965 B13R1.643 C[C@@H](O)CSc1cccc(c1)CF 62a_100009817552_100010878472 [0,2,0,0,0,0|1,0,0]=3 21966 B13R1.643 C[C@@H](O)CSc1cccc(c1)CF 62a_100010878472_100009817552 [0,2,0,0,0,0|1,0,0]=3 21967 B13R1.643 C[C@@H](O)CSc1cccc(c1)CN 62a_100000106179_100009817552 [0,2,0,0,0,0|1,0,0]=3 21968 B13R1.643 C[C@@H](O)CSc1cccc(c1)CN 62a_100009817552_100000106179 [0,2,0,0,0,0|1,0,0]=3 21969 B13R1.643 C[C@@H](O)CSc1cccc(c1)CO 62a_100000687537_100009817552 [0,2,0,0,0,0|1,0,0]=3 21970 B13R1.643 C[C@@H](O)CSc1cccc(c1)CO 62a_100009817552_100000687537 [0,2,0,0,0,0|1,0,0]=3 21971 B13R1.643 C[C@@H](O)CSc1cccc(c1)NN 62a_100000217339_100009817552 [0,2,0,0,0,0|1,0,0]=3 21972 B13R1.643 C[C@@H](O)CSc1cccc(c1)NN 62a_100009817552_100000217339 [0,2,0,0,0,0|1,0,0]=3 21973 B13R1.643 C[C@@H](O)CSc1cccc(n1)C#N 62a_100009817552_100011934037 [0,2,0,0,0,0|2,0,0]=4 21974 B13R1.643 C[C@@H](O)CSc1cccc(n1)C=O 62a_100000688028_100009817552 [0,2,0,0,0,0|2,0,0]=4 21975 B13R1.643 C[C@@H](O)CSc1cccc(n1)C=O 62a_100009817552_100000688028 [0,2,0,0,0,0|2,0,0]=4 21976 B13R1.643 C[C@@H](O)CSc1cccc(n1)CN 62a_100009817552_100016990191 [0,2,0,0,0,0|2,0,0]=4 21977 B13R1.643 C[C@@H](O)CSc1cccc(n1)CN 62a_100016990191_100009817552 [0,2,0,0,0,0|2,0,0]=4 21978 B13R1.643 C[C@@H](O)CSc1cccc(n1)CO 62a_100000694195_100009817552 [0,2,0,0,0,0|2,0,0]=4 21979 B13R1.643 C[C@@H](O)CSc1cccc(n1)CO 62a_100009817552_100000694195 [0,2,0,0,0,0|2,0,0]=4 21980 B13R1.643 C[C@@H](O)CSc1cccc(n1)NN 62a_100009817029_100009817552 [0,2,0,0,0,0|2,0,0]=4 21981 B13R1.643 C[C@@H](O)CSc1cccc(n1)NN 62a_100009817552_100009817029 [0,2,0,0,0,0|2,0,0]=4 21982 B13R1.643 C[C@@H](O)CSc1ccnc(c1)C#N 62a_100009817552_100000685610 [0,2,0,0,0,0|2,0,0]=4 21983 B13R1.643 C[C@@H](O)CSc1ccnc(c1)C=O 62a_100009817552_100011998288 [0,2,0,0,0,0|2,0,0]=4 21984 B13R1.643 C[C@@H](O)CSc1ccnc(c1)C=O 62a_100011998288_100009817552 [0,2,0,0,0,0|2,0,0]=4 21985 B13R1.643 C[C@@H](O)CSc1ccnc(c1)CN 62a_100000085674_100009817552 [0,2,0,0,0,0|2,0,0]=4 21986 B13R1.643 C[C@@H](O)CSc1ccnc(c1)CN 62a_100009817552_100000085674 [0,2,0,0,0,0|2,0,0]=4 21987 B13R1.643 C[C@@H](O)CSc1ccnc(c1)CO 62a_100000748867_100009817552 [0,2,0,0,0,0|2,0,0]=4 21988 B13R1.643 C[C@@H](O)CSc1ccnc(c1)CO 62a_100009817552_100000748867 [0,2,0,0,0,0|2,0,0]=4 21989 B13R1.643 C[C@@H](O)CSc1ccnc(c1)NN 62a_100000764631_100009817552 [0,2,0,0,0,0|2,0,0]=4 21990 B13R1.643 C[C@@H](O)CSc1ccnc(c1)NN 62a_100009817552_100000764631 [0,2,0,0,0,0|2,0,0]=4 21991 B13R1.643 C[C@@H](O)CSc1cncc(c1)C#N 62a_100009817552_100000686085 [0,2,0,0,0,0|2,0,0]=4 21992 B13R1.643 C[C@@H](O)CSc1cncc(c1)C=O 62a_100000687066_100009817552 [0,2,0,0,0,0|2,0,0]=4 21993 B13R1.643 C[C@@H](O)CSc1cncc(c1)C=O 62a_100009817552_100000687066 [0,2,0,0,0,0|2,0,0]=4 21994 B13R1.643 C[C@@H](O)CSc1cncc(c1)CN 62a_100009817552_100011249555 [0,2,0,0,0,0|2,0,0]=4 21995 B13R1.643 C[C@@H](O)CSc1cncc(c1)CN 62a_100011249555_100009817552 [0,2,0,0,0,0|2,0,0]=4 21996 B13R1.643 C[C@@H](O)CSc1cncc(c1)CO 62a_100009817552_100011259137 [0,2,0,0,0,0|2,0,0]=4 21997 B13R1.643 C[C@@H](O)CSc1cncc(c1)CO 62a_100011259137_100009817552 [0,2,0,0,0,0|2,0,0]=4 21998 B13R1.643 C[C@@H](O)CSc1cncc(c1)NN 62a_100000727789_100009817552 [0,2,0,0,0,0|2,0,0]=4 21999 B13R1.643 C[C@@H](O)CSc1cncc(c1)NN 62a_100009817552_100000727789 [0,2,0,0,0,0|2,0,0]=4 22000 B13R1.643 [13CH3]C(=O)CCc1cccc(c1)C#N 1458a_100011998624_200025704644 [0,2,0,0,0,0|0,0,2]=4 22001 B13R1.838 CC(C)(C)CNc1cccc(c1)Br 34a_100000210019_100011219605 [0,2,0,0,0,0|2,0,0]=4 22002 B13R1.838 CC(C)(C)CNc1cccc(c1)Cl 34a_100000185859_100011219605 [0,2,0,0,0,0|2,0,0]=4 22003 B13R1.838 CC(C)(C)CNc1cccc(c1)F 34a_100000210047_100011219605 [0,2,0,0,0,0|2,0,0]=4 22004 B13R1.838 CC(C)(C)CNc1cccc(c1)I 34a_100000211102_100011219605 [0,2,0,0,0,0|2,0,0]=4 22005 B13R1.838 CC(C)(C)CNc1cccc(c1)O 34a_100000210217_100011219605 [0,2,0,0,0,0|2,0,0]=4 22006 B13R1.838 CC(C)(C)COc1cccc(c1)Br 34a_100000210342_100011219605 [0,2,0,0,0,0|2,0,0]=4 22007 B13R1.838 CC(C)(C)COc1cccc(c1)Cl 34a_100000210295_100011219605 [0,2,0,0,0,0|2,0,0]=4 22008 B13R1.838 CC(C)(C)COc1cccc(c1)F 34a_100000210426_100011219605 [0,2,0,0,0,0|2,0,0]=4 22009 B13R1.838 CC(C)(C)COc1cccc(c1)I 34a_100000211634_100011219605 [0,2,0,0,0,0|2,0,0]=4 22010 B13R1.838 CC(C)(C)COc1cccc(c1)N 34a_100000210217_100011219605 [0,2,0,0,0,0|2,0,0]=4 22011 B13R1.838 CC(C)(C)COc1cccc(c1)O 271570a_203496583355_200010229345 [0,2,0,0,0,0|2,0,0]=4 22012 B13R1.838 CC(C)(C)CSc1cccc(c1)Br 62a_100000691529_100011219605 [0,2,0,0,0,0|2,0,0]=4 22013 B13R1.838 CC(C)(C)CSc1cccc(c1)Br 62a_100011219605_100000691529 [0,2,0,0,0,0|2,0,0]=4 22014 B13R1.838 CC(C)(C)CSc1cccc(c1)Cl 62a_100000699651_100011219605 [0,2,0,0,0,0|2,0,0]=4 22015 B13R1.838 CC(C)(C)CSc1cccc(c1)Cl 62a_100011219605_100000699651 [0,2,0,0,0,0|2,0,0]=4 22016 B13R1.838 CC(C)(C)CSc1cccc(c1)F 62a_100000685547_100011219605 [0,2,0,0,0,0|2,0,0]=4 22017 B13R1.838 CC(C)(C)CSc1cccc(c1)F 62a_100011219605_100000685547 [0,2,0,0,0,0|2,0,0]=4 22018 B13R1.838 CC(C)(C)CSc1cccc(c1)N 62a_100000210019_100011219605 [0,2,0,0,0,0|2,0,0]=4 22019 B13R1.838 CC(C)(C)CSc1cccc(c1)N 62a_100011219605_100000210019 [0,2,0,0,0,0|2,0,0]=4 22020 B13R1.838 CC(C)(C)CSc1cccc(c1)O 62a_100011219605_100000211634 [0,2,0,0,0,0|2,0,0]=4 22021 B13R1.838 CC(C)(C)CSc1cccc(c1)[S] 62a_100011219605_114929384022 [0,2,0,0,0,0|2,0,0]=4 22022 B13R1.838 CC(C)(C)CSc1cccc(c1)[S] 62a_114929384022_100011219605 [0,2,0,0,0,0|2,0,0]=4 22023 B13R1.838 CC(C)(C)NCc1cccc(c1)Br 207a_100000715429_100000210085 [0,2,0,0,0,0|2,0,0]=4 22024 B13R1.838 CC(C)(C)NCc1cccc(c1)Br 2230a_100000715429_100000698116 [0,2,0,0,0,0|2,0,0]=4 22025 B13R1.838 CC(C)(C)NCc1cccc(c1)Br 34a_100000174977_100000210625 [0,2,0,0,0,0|2,0,0]=4 22026 B13R1.838 CC(C)(C)NCc1cccc(c1)Cl 207a_100000715429_100000210801 [0,2,0,0,0,0|2,0,0]=4 22027 B13R1.838 CC(C)(C)NCc1cccc(c1)Cl 2230a_100000715429_100000181238 [0,2,0,0,0,0|2,0,0]=4 22028 B13R1.838 CC(C)(C)NCc1cccc(c1)Cl 34a_100000174878_100000210625 [0,2,0,0,0,0|2,0,0]=4 22029 B13R1.838 CC(C)(C)NCc1cccc(c1)F 207a_100000715429_100000210812 [0,2,0,0,0,0|2,0,0]=4 22030 B13R1.838 CC(C)(C)NCc1cccc(c1)F 2230a_100000715429_100000230114 [0,2,0,0,0,0|2,0,0]=4 22031 B13R1.838 CC(C)(C)NCc1cccc(c1)F 34a_100000174948_100000210625 [0,2,0,0,0,0|2,0,0]=4 22032 B13R1.838 CC(C)(C)NCc1cccc(c1)I 207a_100000715429_100000014684 [0,2,0,0,0,0|2,0,0]=4 22033 B13R1.838 CC(C)(C)NCc1cccc(c1)I 2230a_100000715429_100011218688 [0,2,0,0,0,0|2,0,0]=4 22034 B13R1.838 CC(C)(C)NCc1cccc(c1)I 34a_100000106179_100000210625 [0,2,0,0,0,0|2,0,0]=4 22035 B13R1.838 CC(C)(C)NCc1cccc(c1)O 207a_100000715429_100000188321 [0,2,0,0,0,0|2,0,0]=4 22036 B13R1.838 CC(C)(C)NCc1cccc(c1)O 2230a_100000715429_100011660834 [0,2,0,0,0,0|2,0,0]=4 22037 B13R1.838 CC(C)(C)NCc1cccc(c1)O 34a_100000743036_100000210625 [0,2,0,0,0,0|2,0,0]=4 22038 B13R1.838 CC(C)(C)OCc1cccc(c1)Br 34a_100000687537_100000210625 [0,2,0,0,0,0|2,0,0]=4 22039 B13R1.838 CC(C)(C)OCc1cccc(c1)Br 34a_100015890283_100000698116 [0,2,0,0,0,0|2,0,0]=4 22040 B13R1.838 CC(C)(C)OCc1cccc(c1)Br 7a_100015890283_100000211773 [0,2,0,0,0,0|2,0,0]=4 22041 B13R1.838 CC(C)(C)OCc1cccc(c1)Cl 34a_100000241301_100000210625 [0,2,0,0,0,0|2,0,0]=4 22042 B13R1.838 CC(C)(C)OCc1cccc(c1)Cl 34a_100015890283_100000187163 [0,2,0,0,0,0|2,0,0]=4 22043 B13R1.838 CC(C)(C)OCc1cccc(c1)Cl 7a_100015890283_100000187163 [0,2,0,0,0,0|2,0,0]=4 22044 B13R1.838 CC(C)(C)OCc1cccc(c1)F 34a_100000210976_100000210625 [0,2,0,0,0,0|2,0,0]=4 22045 B13R1.838 CC(C)(C)OCc1cccc(c1)F 34a_100015890283_100000187166 [0,2,0,0,0,0|2,0,0]=4 22046 B13R1.838 CC(C)(C)OCc1cccc(c1)F 7a_100015890283_100000230114 [0,2,0,0,0,0|2,0,0]=4 22047 B13R1.838 CC(C)(C)OCc1cccc(c1)I 34a_100011215336_100000210625 [0,2,0,0,0,0|2,0,0]=4 22048 B13R1.838 CC(C)(C)OCc1cccc(c1)I 34a_100015890283_100011218688 [0,2,0,0,0,0|2,0,0]=4 22049 B13R1.838 CC(C)(C)OCc1cccc(c1)I 7a_100015890283_100011218688 [0,2,0,0,0,0|2,0,0]=4 22050 B13R1.838 CC(C)(C)OCc1cccc(c1)N 34a_100000211919_100000210625 [0,2,0,0,0,0|2,0,0]=4 22051 B13R1.838 CC(C)(C)OCc1cccc(c1)O 34a_100015890283_100011660834 [0,2,0,0,0,0|2,0,0]=4 22052 B13R1.838 CC(C)(C)OCc1cccc(c1)O 7a_100015890283_100000084143 [0,2,0,0,0,0|2,0,0]=4 22053 B13R1.838 CC(C)(C)SCc1cccc(c1)Br 62a_100000211773_100000211941 [0,2,0,0,0,0|2,0,0]=4 22054 B13R1.838 CC(C)(C)SCc1cccc(c1)Br 62a_100000211941_100000211773 [0,2,0,0,0,0|2,0,0]=4 22055 B13R1.838 CC(C)(C)SCc1cccc(c1)Cl 62a_100000187163_100000211941 [0,2,0,0,0,0|2,0,0]=4 22056 B13R1.838 CC(C)(C)SCc1cccc(c1)Cl 62a_100000211941_100000187163 [0,2,0,0,0,0|2,0,0]=4 22057 B13R1.838 CC(C)(C)SCc1cccc(c1)F 62a_100000211941_100000230114 [0,2,0,0,0,0|2,0,0]=4 22058 B13R1.838 CC(C)(C)SCc1cccc(c1)F 62a_100000230114_100000211941 [0,2,0,0,0,0|2,0,0]=4 22059 B13R1.838 CC(C)(C)SCc1cccc(c1)I 62a_100000211941_100011218688 [0,2,0,0,0,0|2,0,0]=4 22060 B13R1.838 CC(C)(C)SCc1cccc(c1)I 62a_100011218688_100000211941 [0,2,0,0,0,0|2,0,0]=4 22061 B13R1.838 CC(C)(C)SCc1cccc(c1)O 62a_100000211941_100011660834 [0,2,0,0,0,0|2,0,0]=4 22062 B13R1.838 CC(C)(C)SCc1cccc(c1)O 62a_100011660834_100000211941 [0,2,0,0,0,0|2,0,0]=4 22063 B13R1.838 CC(C)(F)CNc1cccc(c1)Br 34a_100000210019_100011997219 [0,2,0,0,0,0|2,0,0]=4 22064 B13R1.838 CC(C)(F)CNc1cccc(c1)Cl 34a_100000185859_100011997219 [0,2,0,0,0,0|2,0,0]=4 22065 B13R1.838 CC(C)(F)CNc1cccc(c1)F 34a_100000210047_100011997219 [0,2,0,0,0,0|2,0,0]=4 22066 B13R1.838 CC(C)(F)CNc1cccc(c1)I 34a_100000211102_100011997219 [0,2,0,0,0,0|2,0,0]=4 22067 B13R1.838 CC(C)(F)CNc1cccc(c1)O 34a_100000210217_100011997219 [0,2,0,0,0,0|2,0,0]=4 22068 B13R1.838 CC(C)(F)COc1cccc(c1)Br 34a_100000210342_100011997219 [0,2,0,0,0,0|2,0,0]=4 22069 B13R1.838 CC(C)(F)COc1cccc(c1)Cl 34a_100000210295_100011997219 [0,2,0,0,0,0|2,0,0]=4 22070 B13R1.838 CC(C)(F)COc1cccc(c1)F 34a_100000210426_100011997219 [0,2,0,0,0,0|2,0,0]=4 22071 B13R1.838 CC(C)(F)COc1cccc(c1)I 34a_100000211634_100011997219 [0,2,0,0,0,0|2,0,0]=4 22072 B13R1.838 CC(C)(F)COc1cccc(c1)N 34a_100000210217_100011997219 [0,2,0,0,0,0|2,0,0]=4 22073 B13R1.838 CC(C)(F)CSc1cccc(c1)Br 62a_100000691529_100011997219 [0,2,0,0,0,0|2,0,0]=4 22074 B13R1.838 CC(C)(F)CSc1cccc(c1)Br 62a_100011997219_100000691529 [0,2,0,0,0,0|2,0,0]=4 22075 B13R1.838 CC(C)(F)CSc1cccc(c1)Cl 62a_100000699651_100011997219 [0,2,0,0,0,0|2,0,0]=4 22076 B13R1.838 CC(C)(F)CSc1cccc(c1)Cl 62a_100011997219_100000699651 [0,2,0,0,0,0|2,0,0]=4 22077 B13R1.838 CC(C)(F)CSc1cccc(c1)F 62a_100000685547_100011997219 [0,2,0,0,0,0|2,0,0]=4 22078 B13R1.838 CC(C)(F)CSc1cccc(c1)F 62a_100011997219_100000685547 [0,2,0,0,0,0|2,0,0]=4 22079 B13R1.838 CC(C)(F)CSc1cccc(c1)N 62a_100000210019_100011997219 [0,2,0,0,0,0|2,0,0]=4 22080 B13R1.838 CC(C)(F)CSc1cccc(c1)N 62a_100011997219_100000210019 [0,2,0,0,0,0|2,0,0]=4 22081 B13R1.838 CC(C)(F)CSc1cccc(c1)O 62a_100011997219_100000211634 [0,2,0,0,0,0|2,0,0]=4 22082 B13R1.838 CC(C)(F)CSc1cccc(c1)[S] 62a_100011997219_114929384022 [0,2,0,0,0,0|2,0,0]=4 22083 B13R1.838 CC(C)(F)CSc1cccc(c1)[S] 62a_114929384022_100011997219 [0,2,0,0,0,0|2,0,0]=4 22084 B13R1.838 CC(C)(O)C=Cc1cccc(c1)Br 271570a_200016258132_100000691529 [0,2,0,0,0,0|0,0,2]=4 22085 B13R1.838 CC(C)(O)C=Cc1cccc(c1)Cl 271570a_200016258132_100000699651 [0,2,0,0,0,0|0,0,2]=4 22086 B13R1.838 CC(C)(O)C=Cc1cccc(c1)F 271570a_200016258132_100000685547 [0,2,0,0,0,0|0,0,2]=4 22087 B13R1.838 CC(C)(O)C=Cc1cccc(c1)N 271570a_200016258132_100000210019 [0,2,0,0,0,0|0,0,2]=4 22088 B13R1.838 CC(C)(O)C=Cc1cccc(c1)O 271570a_200016258132_100000211634 [0,2,0,0,0,0|0,0,2]=4 22089 B13R1.838 CC(C)(O)C=Cc1cccc(c1)[S] 271570a_200016258132_114929384022 [0,2,0,0,0,0|0,0,2]=4 22090 B13R1.838 CC(C)(O)CNc1cc(ccn1)F 27a_100000751335_100000764206 [0,2,0,0,0,0|2,0,0]=4 22091 B13R1.838 CC(C)(O)CNc1cc[nH]c(=O)c1 27a_100000751335_100000061649 [0,2,0,0,0,0|2,0,0]=4 22092 B13R1.838 CC(C)(O)CNc1cccc(c1)Br 34a_100000210019_100000764493 [0,2,0,0,0,0|1,0,0]=3 22093 B13R1.838 CC(C)(O)CNc1cccc(c1)Cl 34a_100000185859_100000764493 [0,2,0,0,0,0|1,0,0]=3 22094 B13R1.838 CC(C)(O)CNc1cccc(c1)F 34a_100000210047_100000764493 [0,2,0,0,0,0|1,0,0]=3 22095 B13R1.838 CC(C)(O)CNc1cccc(c1)I 34a_100000211102_100000764493 [0,2,0,0,0,0|1,0,0]=3 22096 B13R1.838 CC(C)(O)CNc1cccc(c1)O 34a_100000210217_100000764493 [0,2,0,0,0,0|1,0,0]=3 22097 B13R1.838 CC(C)(O)CNc1cccc(n1)F 27a_100000751335_100009815982 [0,2,0,0,0,0|2,0,0]=4 22098 B13R1.838 CC(C)(O)CNc1ccnc(c1)F 27a_100000751335_100009816116 [0,2,0,0,0,0|2,0,0]=4 22099 B13R1.838 CC(C)(O)COc1cc[nH]c(=O)c1 34a_100000032262_100000764493 [0,2,0,0,0,0|2,0,0]=4 22100 B13R1.838 CC(C)(O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000764493 [0,2,0,0,0,0|2,0,0]=4 22101 B13R1.838 CC(C)(O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000764493 [0,2,0,0,0,0|2,0,0]=4 22102 B13R1.838 CC(C)(O)COc1cccc(=O)[nH]1 34a_100000033347_100000764493 [0,2,0,0,0,0|2,0,0]=4 22103 B13R1.838 CC(C)(O)COc1cccc(c1)Br 34a_100000210342_100000764493 [0,2,0,0,0,0|1,0,0]=3 22104 B13R1.838 CC(C)(O)COc1cccc(c1)Br 7a_100000210342_100000764493 [0,2,0,0,0,0|1,0,0]=3 22105 B13R1.838 CC(C)(O)COc1cccc(c1)Cl 34a_100000210295_100000764493 [0,2,0,0,0,0|1,0,0]=3 22106 B13R1.838 CC(C)(O)COc1cccc(c1)Cl 7a_100000210295_100000764493 [0,2,0,0,0,0|1,0,0]=3 22107 B13R1.838 CC(C)(O)COc1cccc(c1)F 34a_100000210426_100000764493 [0,2,0,0,0,0|1,0,0]=3 22108 B13R1.838 CC(C)(O)COc1cccc(c1)F 7a_100000210426_100000764493 [0,2,0,0,0,0|1,0,0]=3 22109 B13R1.838 CC(C)(O)COc1cccc(c1)I 34a_100000211634_100000764493 [0,2,0,0,0,0|1,0,0]=3 22110 B13R1.838 CC(C)(O)COc1cccc(c1)I 7a_100000211634_100000764493 [0,2,0,0,0,0|1,0,0]=3 22111 B13R1.838 CC(C)(O)COc1cccc(c1)N 34a_100000210217_100000764493 [0,2,0,0,0,0|1,0,0]=3 22112 B13R1.838 CC(C)(O)COc1cccc(n1)F 34a_100011432558_100000764493 [0,2,0,0,0,0|2,0,0]=4 22113 B13R1.838 CC(C)(O)COc1ccnc(c1)Cl 34a_100000762945_100000764493 [0,2,0,0,0,0|2,0,0]=4 22114 B13R1.838 CC(C)(O)COc1ccnc(c1)F 34a_100000732698_100000764493 [0,2,0,0,0,0|2,0,0]=4 22115 B13R1.838 CC(C)(O)COc1ccnc(c1)N 34a_100011834064_100000764493 [0,2,0,0,0,0|2,0,0]=4 22116 B13R1.838 CC(C)(O)COc1cncc(c1)Br 34a_100000754920_100000764493 [0,2,0,0,0,0|2,0,0]=4 22117 B13R1.838 CC(C)(O)COc1cncc(c1)Br 7a_100000754920_100000764493 [0,2,0,0,0,0|2,0,0]=4 22118 B13R1.838 CC(C)(O)COc1cncc(c1)Cl 7a_100000032511_100000764493 [0,2,0,0,0,0|2,0,0]=4 22119 B13R1.838 CC(C)(O)COc1cncc(c1)F 34a_100011830296_100000764493 [0,2,0,0,0,0|2,0,0]=4 22120 B13R1.838 CC(C)(O)COc1cncc(c1)F 7a_100011830296_100000764493 [0,2,0,0,0,0|2,0,0]=4 22121 B13R1.838 CC(C)(O)COc1cncc(c1)N 34a_100011997051_100000764493 [0,2,0,0,0,0|2,0,0]=4 22122 B13R1.838 CC(C)(O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000764493 [0,2,0,0,0,0|2,0,0]=4 22123 B13R1.838 CC(C)(O)CSc1cc(ccn1)Cl 62a_100000764493_100010167805 [0,2,0,0,0,0|2,0,0]=4 22124 B13R1.838 CC(C)(O)CSc1cc(ccn1)Cl 62a_100010167805_100000764493 [0,2,0,0,0,0|2,0,0]=4 22125 B13R1.838 CC(C)(O)CSc1cc(ccn1)F 62a_100000764206_100000764493 [0,2,0,0,0,0|2,0,0]=4 22126 B13R1.838 CC(C)(O)CSc1cc(ccn1)F 62a_100000764493_100000764206 [0,2,0,0,0,0|2,0,0]=4 22127 B13R1.838 CC(C)(O)CSc1cc(ccn1)N 62a_100000764493_100009814236 [0,2,0,0,0,0|2,0,0]=4 22128 B13R1.838 CC(C)(O)CSc1cc(ccn1)N 62a_100009814236_100000764493 [0,2,0,0,0,0|2,0,0]=4 22129 B13R1.838 CC(C)(O)CSc1cc(ccn1)O 62a_100000764493_100000762945 [0,2,0,0,0,0|2,0,0]=4 22130 B13R1.838 CC(C)(O)CSc1cc[nH]c(=O)c1 62a_100000764493_100009816521 [0,2,0,0,0,0|2,0,0]=4 22131 B13R1.838 CC(C)(O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000764493 [0,2,0,0,0,0|2,0,0]=4 22132 B13R1.838 CC(C)(O)CSc1ccc[n+](c1)[O-] 62a_100000764493_100009815978 [0,2,0,0,0,0|2,0,0]=4 22133 B13R1.838 CC(C)(O)CSc1cccc(=O)[nH]1 62a_100000764493_100000752884 [0,2,0,0,0,0|2,0,0]=4 22134 B13R1.838 CC(C)(O)CSc1cccc(c1)Br 62a_100000691529_100000764493 [0,2,0,0,0,0|1,0,0]=3 22135 B13R1.838 CC(C)(O)CSc1cccc(c1)Br 62a_100000764493_100000691529 [0,2,0,0,0,0|1,0,0]=3 22136 B13R1.838 CC(C)(O)CSc1cccc(c1)Cl 62a_100000699651_100000764493 [0,2,0,0,0,0|1,0,0]=3 22137 B13R1.838 CC(C)(O)CSc1cccc(c1)Cl 62a_100000764493_100000699651 [0,2,0,0,0,0|1,0,0]=3 22138 B13R1.838 CC(C)(O)CSc1cccc(c1)F 62a_100000685547_100000764493 [0,2,0,0,0,0|1,0,0]=3 22139 B13R1.838 CC(C)(O)CSc1cccc(c1)F 62a_100000764493_100000685547 [0,2,0,0,0,0|1,0,0]=3 22140 B13R1.838 CC(C)(O)CSc1cccc(c1)N 62a_100000210019_100000764493 [0,2,0,0,0,0|1,0,0]=3 22141 B13R1.838 CC(C)(O)CSc1cccc(c1)N 62a_100000764493_100000210019 [0,2,0,0,0,0|1,0,0]=3 22142 B13R1.838 CC(C)(O)CSc1cccc(c1)O 62a_100000764493_100000211634 [0,2,0,0,0,0|1,0,0]=3 22143 B13R1.838 CC(C)(O)CSc1cccc(c1)[S] 62a_100000764493_114929384022 [0,2,0,0,0,0|1,0,0]=3 22144 B13R1.838 CC(C)(O)CSc1cccc(c1)[S] 62a_114929384022_100000764493 [0,2,0,0,0,0|1,0,0]=3 22145 B13R1.838 CC(C)(O)CSc1cccc(n1)Br 62a_100000684672_100000764493 [0,2,0,0,0,0|2,0,0]=4 22146 B13R1.838 CC(C)(O)CSc1cccc(n1)Br 62a_100000764493_100000684672 [0,2,0,0,0,0|2,0,0]=4 22147 B13R1.838 CC(C)(O)CSc1cccc(n1)Cl 62a_100000051397_100000764493 [0,2,0,0,0,0|2,0,0]=4 22148 B13R1.838 CC(C)(O)CSc1cccc(n1)Cl 62a_100000764493_100000051397 [0,2,0,0,0,0|2,0,0]=4 22149 B13R1.838 CC(C)(O)CSc1cccc(n1)F 62a_100000764493_100009815982 [0,2,0,0,0,0|2,0,0]=4 22150 B13R1.838 CC(C)(O)CSc1cccc(n1)F 62a_100009815982_100000764493 [0,2,0,0,0,0|2,0,0]=4 22151 B13R1.838 CC(C)(O)CSc1cccc(n1)N 62a_100000740741_100000764493 [0,2,0,0,0,0|2,0,0]=4 22152 B13R1.838 CC(C)(O)CSc1cccc(n1)N 62a_100000764493_100000740741 [0,2,0,0,0,0|2,0,0]=4 22153 B13R1.838 CC(C)(O)CSc1ccnc(c1)Br 62a_100000764493_100009814637 [0,2,0,0,0,0|2,0,0]=4 22154 B13R1.838 CC(C)(O)CSc1ccnc(c1)Br 62a_100009814637_100000764493 [0,2,0,0,0,0|2,0,0]=4 22155 B13R1.838 CC(C)(O)CSc1ccnc(c1)Cl 62a_100000035001_100000764493 [0,2,0,0,0,0|2,0,0]=4 22156 B13R1.838 CC(C)(O)CSc1ccnc(c1)Cl 62a_100000764493_100000035001 [0,2,0,0,0,0|2,0,0]=4 22157 B13R1.838 CC(C)(O)CSc1ccnc(c1)F 62a_100000764493_100009816116 [0,2,0,0,0,0|2,0,0]=4 22158 B13R1.838 CC(C)(O)CSc1ccnc(c1)F 62a_100009816116_100000764493 [0,2,0,0,0,0|2,0,0]=4 22159 B13R1.838 CC(C)(O)CSc1ccnc(c1)N 62a_100000049665_100000764493 [0,2,0,0,0,0|2,0,0]=4 22160 B13R1.838 CC(C)(O)CSc1ccnc(c1)N 62a_100000764493_100000049665 [0,2,0,0,0,0|2,0,0]=4 22161 B13R1.838 CC(C)(O)CSc1cncc(c1)Br 62a_100000728054_100000764493 [0,2,0,0,0,0|2,0,0]=4 22162 B13R1.838 CC(C)(O)CSc1cncc(c1)Br 62a_100000764493_100000728054 [0,2,0,0,0,0|2,0,0]=4 22163 B13R1.838 CC(C)(O)CSc1cncc(c1)Cl 62a_100000049639_100000764493 [0,2,0,0,0,0|2,0,0]=4 22164 B13R1.838 CC(C)(O)CSc1cncc(c1)Cl 62a_100000764493_100000049639 [0,2,0,0,0,0|2,0,0]=4 22165 B13R1.838 CC(C)(O)CSc1cncc(c1)F 62a_100000744099_100000764493 [0,2,0,0,0,0|2,0,0]=4 22166 B13R1.838 CC(C)(O)CSc1cncc(c1)F 62a_100000764493_100000744099 [0,2,0,0,0,0|2,0,0]=4 22167 B13R1.838 CC(C)(O)CSc1cncc(c1)N 62a_100000687067_100000764493 [0,2,0,0,0,0|2,0,0]=4 22168 B13R1.838 CC(C)(O)CSc1cncc(c1)N 62a_100000764493_100000687067 [0,2,0,0,0,0|2,0,0]=4 22169 B13R1.838 CC(C)(O)CSc1cncc(c1)O 62a_100000754920_100000764493 [0,2,0,0,0,0|2,0,0]=4 22170 B13R1.838 CC(C)(O)CSc1cncc(c1)O 62a_100000764493_100000754920 [0,2,0,0,0,0|2,0,0]=4 22171 B13R1.838 C[n+]1cccc(c1)SCC(C)(C)O 62a_100000764493_100009996589 [0,2,0,0,0,0|2,0,0]=4 22172 B13R1.838 C[n+]1cccc(c1)SCC(C)(C)O 62a_100009996589_100000764493 [0,2,0,0,0,0|2,0,0]=4 22173 B13R1.838 Cc1cc(ccn1)NCC(C)(C)O 27a_100000751335_100000758586 [0,2,0,0,0,0|2,0,0]=4 22174 B13R1.838 Cc1cc(ccn1)OCC(C)(C)O 34a_100000688365_100000764493 [0,2,0,0,0,0|2,0,0]=4 22175 B13R1.838 Cc1cc(ccn1)SCC(C)(C)O 62a_100000758586_100000764493 [0,2,0,0,0,0|2,0,0]=4 22176 B13R1.838 Cc1cc(ccn1)SCC(C)(C)O 62a_100000764493_100000758586 [0,2,0,0,0,0|2,0,0]=4 22177 B13R1.838 Cc1cccc(c1)C=CC(C)(C)O 271570a_200016258132_100011215228 [0,2,0,0,0,0|0,0,2]=4 22178 B13R1.838 Cc1cccc(c1)CNC(C)(C)C 207a_100000715429_100000211157 [0,2,0,0,0,0|2,0,0]=4 22179 B13R1.838 Cc1cccc(c1)CNC(C)(C)C 2230a_100000715429_100000211840 [0,2,0,0,0,0|2,0,0]=4 22180 B13R1.838 Cc1cccc(c1)CNC(C)(C)C 34a_100000185548_100000210625 [0,2,0,0,0,0|2,0,0]=4 22181 B13R1.838 Cc1cccc(c1)COC(C)(C)C 34a_100011217746_100000210625 [0,2,0,0,0,0|2,0,0]=4 22182 B13R1.838 Cc1cccc(c1)COC(C)(C)C 34a_100015890283_100000211840 [0,2,0,0,0,0|2,0,0]=4 22183 B13R1.838 Cc1cccc(c1)COC(C)(C)C 7a_100015890283_100000211840 [0,2,0,0,0,0|2,0,0]=4 22184 B13R1.838 Cc1cccc(c1)CSC(C)(C)C 62a_100000211840_100000211941 [0,2,0,0,0,0|2,0,0]=4 22185 B13R1.838 Cc1cccc(c1)CSC(C)(C)C 62a_100000211941_100000211840 [0,2,0,0,0,0|2,0,0]=4 22186 B13R1.838 Cc1cccc(c1)NCC(C)(C)C 34a_100000188690_100011219605 [0,2,0,0,0,0|2,0,0]=4 22187 B13R1.838 Cc1cccc(c1)NCC(C)(C)F 34a_100000188690_100011997219 [0,2,0,0,0,0|2,0,0]=4 22188 B13R1.838 Cc1cccc(c1)NCC(C)(C)O 34a_100000188690_100000764493 [0,2,0,0,0,0|1,0,0]=3 22189 B13R1.838 Cc1cccc(c1)OCC(C)(C)C 34a_100000210337_100011219605 [0,2,0,0,0,0|2,0,0]=4 22190 B13R1.838 Cc1cccc(c1)OCC(C)(C)F 34a_100000210337_100011997219 [0,2,0,0,0,0|2,0,0]=4 22191 B13R1.838 Cc1cccc(c1)OCC(C)(C)O 34a_100000210337_100000764493 [0,2,0,0,0,0|1,0,0]=3 22192 B13R1.838 Cc1cccc(c1)OCC(C)(C)O 7a_100000210337_100000764493 [0,2,0,0,0,0|1,0,0]=3 22193 B13R1.838 Cc1cccc(c1)SCC(C)(C)C 62a_100011215228_100011219605 [0,2,0,0,0,0|2,0,0]=4 22194 B13R1.838 Cc1cccc(c1)SCC(C)(C)C 62a_100011219605_100011215228 [0,2,0,0,0,0|2,0,0]=4 22195 B13R1.838 Cc1cccc(c1)SCC(C)(C)F 62a_100011215228_100011997219 [0,2,0,0,0,0|2,0,0]=4 22196 B13R1.838 Cc1cccc(c1)SCC(C)(C)F 62a_100011997219_100011215228 [0,2,0,0,0,0|2,0,0]=4 22197 B13R1.838 Cc1cccc(c1)SCC(C)(C)O 62a_100000764493_100011215228 [0,2,0,0,0,0|1,0,0]=3 22198 B13R1.838 Cc1cccc(c1)SCC(C)(C)O 62a_100011215228_100000764493 [0,2,0,0,0,0|1,0,0]=3 22199 B13R1.838 Cc1cccc(n1)SCC(C)(C)O 62a_100000742759_100000764493 [0,2,0,0,0,0|2,0,0]=4 22200 B13R1.838 Cc1cccc(n1)SCC(C)(C)O 62a_100000764493_100000742759 [0,2,0,0,0,0|2,0,0]=4 22201 B13R1.838 Cc1ccnc(c1)SCC(C)(C)O 62a_100000750283_100000764493 [0,2,0,0,0,0|2,0,0]=4 22202 B13R1.838 Cc1ccnc(c1)SCC(C)(C)O 62a_100000764493_100000750283 [0,2,0,0,0,0|2,0,0]=4 22203 B13R1.838 Cc1cncc(c1)OCC(C)(C)O 34a_100011830280_100000764493 [0,2,0,0,0,0|2,0,0]=4 22204 B13R1.838 Cc1cncc(c1)OCC(C)(C)O 7a_100011830280_100000764493 [0,2,0,0,0,0|2,0,0]=4 22205 B13R1.838 Cc1cncc(c1)SCC(C)(C)O 62a_100000760492_100000764493 [0,2,0,0,0,0|2,0,0]=4 22206 B13R1.838 Cc1cncc(c1)SCC(C)(C)O 62a_100000764493_100000760492 [0,2,0,0,0,0|2,0,0]=4 22207 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200000210301 [0,2,0,0,0,0|0,0,2]=4 22208 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200000210301 [0,2,0,0,0,0|0,0,2]=4 22209 B13R1.3420 CC(=O)CCc1cc(cc(c1)C)C 1458a_100000688337_200000210301 [0,2,0,0,0,0|0,0,2]=4 22210 B13R1.3420 CC(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000070787_100000691793 [0,2,0,0,0,0|0,0,2]=4 22211 B13R1.3420 CC(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000689174_200000210301 [0,2,0,0,0,0|0,0,2]=4 22212 B13R1.3420 CC(=O)CCc1cc(cc(c1)F)F 1458a_100000070787_100011754442 [0,2,0,0,0,0|0,0,2]=4 22213 B13R1.3420 CC(=O)CCc1cc(cc(c1)F)F 1458a_100011934504_200000210301 [0,2,0,0,0,0|0,0,2]=4 22214 B13R1.3420 CC(C)CNc1cc(cc(c1)Br)Br 27a_100000210953_100009814770 [0,2,0,0,0,0|2,0,0]=4 22215 B13R1.3420 CC(C)CNc1cc(cc(c1)Br)Br 34a_100012047176_100000210624 [0,2,0,0,0,0|2,0,0]=4 22216 B13R1.3420 CC(C)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000210760 [0,2,0,0,0,0|2,0,0]=4 22217 B13R1.3420 CC(C)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100000210624 [0,2,0,0,0,0|2,0,0]=4 22218 B13R1.3420 CC(C)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100000210760 [0,2,0,0,0,0|2,0,0]=4 22219 B13R1.3420 CC(C)CNc1cc(cc(c1)Br)F 34a_100000705686_100000210624 [0,2,0,0,0,0|2,0,0]=4 22220 B13R1.3420 CC(C)CNc1cc(cc(c1)Br)F 7a_100000705686_100000210760 [0,2,0,0,0,0|2,0,0]=4 22221 B13R1.3420 CC(C)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000210624 [0,2,0,0,0,0|2,0,0]=4 22222 B13R1.3420 CC(C)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000210760 [0,2,0,0,0,0|2,0,0]=4 22223 B13R1.3420 CC(C)CNc1cc(cc(c1)Cl)F 34a_100000686136_100000210624 [0,2,0,0,0,0|2,0,0]=4 22224 B13R1.3420 CC(C)CNc1cc(cc(c1)Cl)F 7a_100000686136_100000210760 [0,2,0,0,0,0|2,0,0]=4 22225 B13R1.3420 CC(C)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000210624 [0,2,0,0,0,0|2,0,0]=4 22226 B13R1.3420 CC(C)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000210760 [0,2,0,0,0,0|2,0,0]=4 22227 B13R1.3420 CC(C)CNc1cc(cc(c1)F)F 34a_100000233717_100000210624 [0,2,0,0,0,0|2,0,0]=4 22228 B13R1.3420 CC(C)CNc1cc(cc(c1)F)F 7a_100000233717_100000210760 [0,2,0,0,0,0|2,0,0]=4 22229 B13R1.3420 CC(C)CNc1cc(cc(c1)I)Br 7a_100009814763_100000210760 [0,2,0,0,0,0|2,0,0]=4 22230 B13R1.3420 CC(C)CNc1cc(cc(c1)I)Cl 7a_100010147676_100000210760 [0,2,0,0,0,0|2,0,0]=4 22231 B13R1.3420 CC(C)CNc1cc(cc(c1)I)F 34a_100011356972_100000210624 [0,2,0,0,0,0|2,0,0]=4 22232 B13R1.3420 CC(C)CNc1cc(cc(c1)I)F 7a_100011356972_100000210760 [0,2,0,0,0,0|2,0,0]=4 22233 B13R1.3420 CC(C)CNc1cc(cc(c1)I)I 7a_200000696836_100000210760 [0,2,0,0,0,0|2,0,0]=4 22234 B13R1.3420 CC(C)CNc1cc(cc(c1)O)O 34a_100000043371_100000210624 [0,2,0,0,0,0|2,0,0]=4 22235 B13R1.3420 CC(C)COc1cc(cc(c1)Br)Br 34a_100010167048_100000210624 [0,2,0,0,0,0|2,0,0]=4 22236 B13R1.3420 CC(C)COc1cc(cc(c1)Br)Br 7a_100010167048_100000210760 [0,2,0,0,0,0|2,0,0]=4 22237 B13R1.3420 CC(C)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000210624 [0,2,0,0,0,0|2,0,0]=4 22238 B13R1.3420 CC(C)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000210760 [0,2,0,0,0,0|2,0,0]=4 22239 B13R1.3420 CC(C)COc1cc(cc(c1)Br)F 34a_100000688818_100000210624 [0,2,0,0,0,0|2,0,0]=4 22240 B13R1.3420 CC(C)COc1cc(cc(c1)Br)F 7a_100000688818_100000210760 [0,2,0,0,0,0|2,0,0]=4 22241 B13R1.3420 CC(C)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210624 [0,2,0,0,0,0|2,0,0]=4 22242 B13R1.3420 CC(C)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210760 [0,2,0,0,0,0|2,0,0]=4 22243 B13R1.3420 CC(C)COc1cc(cc(c1)Cl)F 34a_100011219751_100000210624 [0,2,0,0,0,0|2,0,0]=4 22244 B13R1.3420 CC(C)COc1cc(cc(c1)Cl)F 7a_100011219751_100000210760 [0,2,0,0,0,0|2,0,0]=4 22245 B13R1.3420 CC(C)COc1cc(cc(c1)Cl)N 34a_100000123917_100000210624 [0,2,0,0,0,0|2,0,0]=4 22246 B13R1.3420 CC(C)COc1cc(cc(c1)Cl)N 7a_100000123917_100000210760 [0,2,0,0,0,0|2,0,0]=4 22247 B13R1.3420 CC(C)COc1cc(cc(c1)F)F 34a_100000747503_100000210624 [0,2,0,0,0,0|2,0,0]=4 22248 B13R1.3420 CC(C)COc1cc(cc(c1)F)F 7a_100000747503_100000210760 [0,2,0,0,0,0|2,0,0]=4 22249 B13R1.3420 CC(C)COc1cc(cc(c1)I)Br 34a_100010068917_100000210624 [0,2,0,0,0,0|2,0,0]=4 22250 B13R1.3420 CC(C)COc1cc(cc(c1)I)Br 7a_100010068917_100000210760 [0,2,0,0,0,0|2,0,0]=4 22251 B13R1.3420 CC(C)COc1cc(cc(c1)I)Cl 34a_100010068924_100000210624 [0,2,0,0,0,0|2,0,0]=4 22252 B13R1.3420 CC(C)COc1cc(cc(c1)I)Cl 7a_100010068924_100000210760 [0,2,0,0,0,0|2,0,0]=4 22253 B13R1.3420 CC(C)COc1cc(cc(c1)I)F 34a_100000717995_100000210624 [0,2,0,0,0,0|2,0,0]=4 22254 B13R1.3420 CC(C)COc1cc(cc(c1)I)F 7a_100000717995_100000210760 [0,2,0,0,0,0|2,0,0]=4 22255 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)Br 62a_100000210624_100009814770 [0,2,0,0,0,0|2,0,0]=4 22256 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000210760 [0,2,0,0,0,0|2,0,0]=4 22257 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)Cl 62a_100000210624_100009814755 [0,2,0,0,0,0|2,0,0]=4 22258 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210760 [0,2,0,0,0,0|2,0,0]=4 22259 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)F 62a_100000210624_100009814764 [0,2,0,0,0,0|2,0,0]=4 22260 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)F 62a_100009814764_100000210760 [0,2,0,0,0,0|2,0,0]=4 22261 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)N 62a_100000210624_100009814763 [0,2,0,0,0,0|2,0,0]=4 22262 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)N 62a_100009814763_100000210760 [0,2,0,0,0,0|2,0,0]=4 22263 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)O 62a_100000210624_100010068917 [0,2,0,0,0,0|2,0,0]=4 22264 B13R1.3420 CC(C)CSc1cc(cc(c1)Br)O 62a_100010068917_100000210760 [0,2,0,0,0,0|2,0,0]=4 22265 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)Cl 62a_100000210624_100000747138 [0,2,0,0,0,0|2,0,0]=4 22266 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210760 [0,2,0,0,0,0|2,0,0]=4 22267 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)F 62a_100000210624_100013859453 [0,2,0,0,0,0|2,0,0]=4 22268 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)F 62a_100013859453_100000210760 [0,2,0,0,0,0|2,0,0]=4 22269 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)N 62a_100000210624_100010147676 [0,2,0,0,0,0|2,0,0]=4 22270 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)N 62a_100010147676_100000210760 [0,2,0,0,0,0|2,0,0]=4 22271 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)O 62a_100000210624_100010068924 [0,2,0,0,0,0|2,0,0]=4 22272 B13R1.3420 CC(C)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000210760 [0,2,0,0,0,0|2,0,0]=4 22273 B13R1.3420 CC(C)CSc1cc(cc(c1)F)F 62a_100000210624_100000233788 [0,2,0,0,0,0|2,0,0]=4 22274 B13R1.3420 CC(C)CSc1cc(cc(c1)F)F 62a_100000233788_100000210760 [0,2,0,0,0,0|2,0,0]=4 22275 B13R1.3420 CC(C)CSc1cc(cc(c1)F)N 62a_100000210624_100011356972 [0,2,0,0,0,0|2,0,0]=4 22276 B13R1.3420 CC(C)CSc1cc(cc(c1)F)N 62a_100011356972_100000210760 [0,2,0,0,0,0|2,0,0]=4 22277 B13R1.3420 CC(C)CSc1cc(cc(c1)F)O 62a_100000210624_100000688818 [0,2,0,0,0,0|2,0,0]=4 22278 B13R1.3420 CC(C)CSc1cc(cc(c1)F)O 62a_100000688818_100000210760 [0,2,0,0,0,0|2,0,0]=4 22279 B13R1.3420 CC(C)CSc1cc(cc(c1)N)N 62a_100000210624_100011999608 [0,2,0,0,0,0|2,0,0]=4 22280 B13R1.3420 CC(C)CSc1cc(cc(c1)N)N 62a_100011999608_100000210760 [0,2,0,0,0,0|2,0,0]=4 22281 B13R1.3420 CC(C)CSc1cc(cc(c1)O)O 62a_100000210624_100009868816 [0,2,0,0,0,0|2,0,0]=4 22282 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 207a_100138425928_100000719502 [0,2,0,0,0,0|2,0,0]=4 22283 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 2230a_100015211796_100000210206 [0,2,0,0,0,0|2,0,0]=4 22284 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 2230a_100138425928_100011216082 [0,2,0,0,0,0|2,0,0]=4 22285 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 34a_100015211796_100000210206 [0,2,0,0,0,0|2,0,0]=4 22286 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Br 34a_100138425928_100011216082 [0,2,0,0,0,0|2,0,0]=4 22287 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)Cl 207a_100138425928_100011934515 [0,2,0,0,0,0|2,0,0]=4 22288 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 207a_100138425928_100011794424 [0,2,0,0,0,0|2,0,0]=4 22289 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 2230a_100020611034_100000210206 [0,2,0,0,0,0|2,0,0]=4 22290 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 2230a_100138425928_100000766940 [0,2,0,0,0,0|2,0,0]=4 22291 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 34a_100020611034_100000210206 [0,2,0,0,0,0|2,0,0]=4 22292 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)F 34a_100138425928_100000766940 [0,2,0,0,0,0|2,0,0]=4 22293 B13R1.3420 CC(C)NCc1cc(cc(c1)Br)O 207a_100138425928_100010176088 [0,2,0,0,0,0|2,0,0]=4 22294 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)Cl 207a_100138425928_100000741761 [0,2,0,0,0,0|2,0,0]=4 22295 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000210206 [0,2,0,0,0,0|2,0,0]=4 22296 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)Cl 2230a_100138425928_100000685807 [0,2,0,0,0,0|2,0,0]=4 22297 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000210206 [0,2,0,0,0,0|2,0,0]=4 22298 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 207a_100138425928_100000703917 [0,2,0,0,0,0|2,0,0]=4 22299 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 2230a_100137329012_100000210206 [0,2,0,0,0,0|2,0,0]=4 22300 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 2230a_100138425928_100011219885 [0,2,0,0,0,0|2,0,0]=4 22301 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 34a_100137329012_100000210206 [0,2,0,0,0,0|2,0,0]=4 22302 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)F 34a_100138425928_100011219885 [0,2,0,0,0,0|2,0,0]=4 22303 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)O 207a_100138425928_100000050827 [0,2,0,0,0,0|2,0,0]=4 22304 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210206 [0,2,0,0,0,0|2,0,0]=4 22305 B13R1.3420 CC(C)NCc1cc(cc(c1)Cl)O 34a_107254831445_100000210206 [0,2,0,0,0,0|2,0,0]=4 22306 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 207a_100138425928_100000743029 [0,2,0,0,0,0|2,0,0]=4 22307 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 2230a_100000737602_100000210206 [0,2,0,0,0,0|2,0,0]=4 22308 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 2230a_100138425928_100000697002 [0,2,0,0,0,0|2,0,0]=4 22309 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 34a_100000737602_100000210206 [0,2,0,0,0,0|2,0,0]=4 22310 B13R1.3420 CC(C)NCc1cc(cc(c1)F)F 34a_100138425928_100000697002 [0,2,0,0,0,0|2,0,0]=4 22311 B13R1.3420 CC(C)NCc1cc(cc(c1)F)O 207a_100138425928_100000703664 [0,2,0,0,0,0|2,0,0]=4 22312 B13R1.3420 CC(C)NCc1cc(cc(c1)F)O 2230a_100160469513_100000210206 [0,2,0,0,0,0|2,0,0]=4 22313 B13R1.3420 CC(C)NCc1cc(cc(c1)F)O 34a_100160469513_100000210206 [0,2,0,0,0,0|2,0,0]=4 22314 B13R1.3420 CC(C)NCc1cc(cc(c1)I)Br 207a_100138425928_100010185649 [0,2,0,0,0,0|2,0,0]=4 22315 B13R1.3420 CC(C)NCc1cc(cc(c1)I)Br 2230a_100138425928_100010146614 [0,2,0,0,0,0|2,0,0]=4 22316 B13R1.3420 CC(C)NCc1cc(cc(c1)I)Br 34a_100138425928_100010146614 [0,2,0,0,0,0|2,0,0]=4 22317 B13R1.3420 CC(C)NCc1cc(cc(c1)I)F 207a_100138425928_100010185655 [0,2,0,0,0,0|2,0,0]=4 22318 B13R1.3420 CC(C)NCc1cc(cc(c1)I)F 2230a_100138425928_100010149605 [0,2,0,0,0,0|2,0,0]=4 22319 B13R1.3420 CC(C)NCc1cc(cc(c1)I)F 34a_100138425928_100010149605 [0,2,0,0,0,0|2,0,0]=4 22320 B13R1.3420 CC(C)NCc1cc(cc(c1)I)I 207a_100138425928_100010185653 [0,2,0,0,0,0|2,0,0]=4 22321 B13R1.3420 CC(C)NCc1cc(cc(c1)O)O 207a_100138425928_100000043415 [0,2,0,0,0,0|2,0,0]=4 22322 B13R1.3420 CC(C)NCc1cc(cc(c1)O)O 2230a_100159270720_100000210206 [0,2,0,0,0,0|2,0,0]=4 22323 B13R1.3420 CC(C)NCc1cc(cc(c1)O)O 34a_100159270720_100000210206 [0,2,0,0,0,0|2,0,0]=4 22324 B13R1.3420 CC(C)OCc1cc(cc(c1)Br)Br 34a_100000212225_100011216082 [0,2,0,0,0,0|2,0,0]=4 22325 B13R1.3420 CC(C)OCc1cc(cc(c1)Br)Br 34a_100011218366_100000210206 [0,2,0,0,0,0|2,0,0]=4 22326 B13R1.3420 CC(C)OCc1cc(cc(c1)Br)Br 7a_100011218366_100000210206 [0,2,0,0,0,0|2,0,0]=4 22327 B13R1.3420 CC(C)OCc1cc(cc(c1)Br)Cl 34a_100012353933_100000210206 [0,2,0,0,0,0|2,0,0]=4 22328 B13R1.3420 CC(C)OCc1cc(cc(c1)Br)Cl 7a_100012353933_100000210206 [0,2,0,0,0,0|2,0,0]=4 22329 B13R1.3420 CC(C)OCc1cc(cc(c1)Br)F 34a_100000212225_100000766940 [0,2,0,0,0,0|2,0,0]=4 22330 B13R1.3420 CC(C)OCc1cc(cc(c1)Br)F 34a_100000766897_100000210206 [0,2,0,0,0,0|2,0,0]=4 22331 B13R1.3420 CC(C)OCc1cc(cc(c1)Br)F 7a_100000766897_100000210206 [0,2,0,0,0,0|2,0,0]=4 22332 B13R1.3420 CC(C)OCc1cc(cc(c1)Cl)Cl 34a_100011218629_100000210206 [0,2,0,0,0,0|2,0,0]=4 22333 B13R1.3420 CC(C)OCc1cc(cc(c1)Cl)Cl 7a_100011218629_100000210206 [0,2,0,0,0,0|2,0,0]=4 22334 B13R1.3420 CC(C)OCc1cc(cc(c1)Cl)F 34a_100000212225_100011219885 [0,2,0,0,0,0|2,0,0]=4 22335 B13R1.3420 CC(C)OCc1cc(cc(c1)Cl)F 34a_100011217560_100000210206 [0,2,0,0,0,0|2,0,0]=4 22336 B13R1.3420 CC(C)OCc1cc(cc(c1)Cl)F 7a_100011217560_100000210206 [0,2,0,0,0,0|2,0,0]=4 22337 B13R1.3420 CC(C)OCc1cc(cc(c1)Cl)N 34a_100012002482_100000210206 [0,2,0,0,0,0|2,0,0]=4 22338 B13R1.3420 CC(C)OCc1cc(cc(c1)Cl)N 7a_100012002482_100000210206 [0,2,0,0,0,0|2,0,0]=4 22339 B13R1.3420 CC(C)OCc1cc(cc(c1)F)F 34a_100000212225_100000697002 [0,2,0,0,0,0|2,0,0]=4 22340 B13R1.3420 CC(C)OCc1cc(cc(c1)F)F 34a_100011215443_100000210206 [0,2,0,0,0,0|2,0,0]=4 22341 B13R1.3420 CC(C)OCc1cc(cc(c1)F)F 7a_100011215443_100000210206 [0,2,0,0,0,0|2,0,0]=4 22342 B13R1.3420 CC(C)OCc1cc(cc(c1)I)Br 34a_100000212225_100010146614 [0,2,0,0,0,0|2,0,0]=4 22343 B13R1.3420 CC(C)OCc1cc(cc(c1)I)Br 7a_100009814756_100000210206 [0,2,0,0,0,0|2,0,0]=4 22344 B13R1.3420 CC(C)OCc1cc(cc(c1)I)F 34a_100000212225_100010149605 [0,2,0,0,0,0|2,0,0]=4 22345 B13R1.3420 CC(C)OCc1cc(cc(c1)I)F 34a_100010149598_100000210206 [0,2,0,0,0,0|2,0,0]=4 22346 B13R1.3420 CC(C)OCc1cc(cc(c1)I)F 7a_100010149598_100000210206 [0,2,0,0,0,0|2,0,0]=4 22347 B13R1.3420 CC(C)OCc1cc(cc(c1)I)I 7a_100010205817_100000210206 [0,2,0,0,0,0|2,0,0]=4 22348 B13R1.3420 CC(C)OCc1cc(cc(c1)N)N 34a_100000032468_100000210206 [0,2,0,0,0,0|2,0,0]=4 22349 B13R1.3420 CC(C)SCc1cc(cc(c1)Br)Br 62a_100000210206_100011216082 [0,2,0,0,0,0|2,0,0]=4 22350 B13R1.3420 CC(C)SCc1cc(cc(c1)Br)Br 62a_100011216082_100000210206 [0,2,0,0,0,0|2,0,0]=4 22351 B13R1.3420 CC(C)SCc1cc(cc(c1)Br)F 62a_100000210206_100000766940 [0,2,0,0,0,0|2,0,0]=4 22352 B13R1.3420 CC(C)SCc1cc(cc(c1)Br)F 62a_100000766940_100000210206 [0,2,0,0,0,0|2,0,0]=4 22353 B13R1.3420 CC(C)SCc1cc(cc(c1)Cl)Cl 62a_100000210206_100011219208 [0,2,0,0,0,0|2,0,0]=4 22354 B13R1.3420 CC(C)SCc1cc(cc(c1)Cl)Cl 62a_100011219208_100000210206 [0,2,0,0,0,0|2,0,0]=4 22355 B13R1.3420 CC(C)SCc1cc(cc(c1)Cl)F 62a_100000210206_100011219885 [0,2,0,0,0,0|2,0,0]=4 22356 B13R1.3420 CC(C)SCc1cc(cc(c1)Cl)F 62a_100011219885_100000210206 [0,2,0,0,0,0|2,0,0]=4 22357 B13R1.3420 CC(C)SCc1cc(cc(c1)F)F 62a_100000210206_100000697002 [0,2,0,0,0,0|2,0,0]=4 22358 B13R1.3420 CC(C)SCc1cc(cc(c1)F)F 62a_100000697002_100000210206 [0,2,0,0,0,0|2,0,0]=4 22359 B13R1.3420 CC(C)SCc1cc(cc(c1)I)Br 62a_100000210206_100010146614 [0,2,0,0,0,0|2,0,0]=4 22360 B13R1.3420 CC(C)SCc1cc(cc(c1)I)Br 62a_100010146614_100000210206 [0,2,0,0,0,0|2,0,0]=4 22361 B13R1.3420 CC(C)SCc1cc(cc(c1)I)F 62a_100000210206_100010149605 [0,2,0,0,0,0|2,0,0]=4 22362 B13R1.3420 CC(C)SCc1cc(cc(c1)I)F 62a_100010149605_100000210206 [0,2,0,0,0,0|2,0,0]=4 22363 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)Br 271570a_200011019289_100009814770 [0,2,0,0,0,0|0,0,2]=4 22364 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)Cl 271570a_200011019289_100009814755 [0,2,0,0,0,0|0,0,2]=4 22365 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)F 271570a_200011019289_100009814764 [0,2,0,0,0,0|0,0,2]=4 22366 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)N 271570a_200011019289_100009814763 [0,2,0,0,0,0|0,0,2]=4 22367 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)O 271570a_200011019289_100010068917 [0,2,0,0,0,0|0,0,2]=4 22368 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)Cl 271570a_200011019289_100000747138 [0,2,0,0,0,0|0,0,2]=4 22369 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)F 271570a_200011019289_100013859453 [0,2,0,0,0,0|0,0,2]=4 22370 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)N 271570a_200011019289_100010147676 [0,2,0,0,0,0|0,0,2]=4 22371 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)O 271570a_200011019289_100010068924 [0,2,0,0,0,0|0,0,2]=4 22372 B13R1.3420 CC(O)C=Cc1cc(cc(c1)F)F 271570a_200011019289_100011218498 [0,2,0,0,0,0|0,0,2]=4 22373 B13R1.3420 CC(O)C=Cc1cc(cc(c1)F)N 271570a_200011019289_100011356972 [0,2,0,0,0,0|0,0,2]=4 22374 B13R1.3420 CC(O)C=Cc1cc(cc(c1)F)O 271570a_200011019289_100000717995 [0,2,0,0,0,0|0,0,2]=4 22375 B13R1.3420 CC(O)C=Cc1cc(cc(c1)N)N 271570a_200011019289_100011999608 [0,2,0,0,0,0|0,0,2]=4 22376 B13R1.3420 CC(O)C=Cc1cc(cc(c1)O)O 271570a_200011019289_100009868816 [0,2,0,0,0,0|0,0,2]=4 22377 B13R1.3420 CC(O)CNc1cc(cc(c1)Br)Br 27a_100000210904_100009814770 [0,2,0,0,0,0|1,0,0]=3 22378 B13R1.3420 CC(O)CNc1cc(cc(c1)Br)Br 34a_100012047176_100011218427 [0,2,0,0,0,0|1,0,0]=3 22379 B13R1.3420 CC(O)CNc1cc(cc(c1)Br)Br 7a_100012047176_100011218427 [0,2,0,0,0,0|1,0,0]=3 22380 B13R1.3420 CC(O)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100011218427 [0,2,0,0,0,0|1,0,0]=3 22381 B13R1.3420 CC(O)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100011218427 [0,2,0,0,0,0|1,0,0]=3 22382 B13R1.3420 CC(O)CNc1cc(cc(c1)Br)F 34a_100000705686_100011218427 [0,2,0,0,0,0|1,0,0]=3 22383 B13R1.3420 CC(O)CNc1cc(cc(c1)Br)F 7a_100000705686_100011218427 [0,2,0,0,0,0|1,0,0]=3 22384 B13R1.3420 CC(O)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100011218427 [0,2,0,0,0,0|1,0,0]=3 22385 B13R1.3420 CC(O)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100011218427 [0,2,0,0,0,0|1,0,0]=3 22386 B13R1.3420 CC(O)CNc1cc(cc(c1)Cl)F 34a_100000686136_100011218427 [0,2,0,0,0,0|1,0,0]=3 22387 B13R1.3420 CC(O)CNc1cc(cc(c1)Cl)F 7a_100000686136_100011218427 [0,2,0,0,0,0|1,0,0]=3 22388 B13R1.3420 CC(O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100011218427 [0,2,0,0,0,0|1,0,0]=3 22389 B13R1.3420 CC(O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100011218427 [0,2,0,0,0,0|1,0,0]=3 22390 B13R1.3420 CC(O)CNc1cc(cc(c1)F)F 34a_100000233717_100011218427 [0,2,0,0,0,0|1,0,0]=3 22391 B13R1.3420 CC(O)CNc1cc(cc(c1)F)F 7a_100000233717_100011218427 [0,2,0,0,0,0|1,0,0]=3 22392 B13R1.3420 CC(O)CNc1cc(cc(c1)I)Br 7a_100009814763_100011218427 [0,2,0,0,0,0|1,0,0]=3 22393 B13R1.3420 CC(O)CNc1cc(cc(c1)I)Cl 7a_100010147676_100011218427 [0,2,0,0,0,0|1,0,0]=3 22394 B13R1.3420 CC(O)CNc1cc(cc(c1)I)F 34a_100011356972_100011218427 [0,2,0,0,0,0|1,0,0]=3 22395 B13R1.3420 CC(O)CNc1cc(cc(c1)I)F 7a_100011356972_100011218427 [0,2,0,0,0,0|1,0,0]=3 22396 B13R1.3420 CC(O)CNc1cc(cc(c1)I)I 7a_200000696836_100011218427 [0,2,0,0,0,0|1,0,0]=3 22397 B13R1.3420 CC(O)CNc1cc(cc(c1)O)O 34a_100000043371_100011218427 [0,2,0,0,0,0|1,0,0]=3 22398 B13R1.3420 CC(O)CNc1cc(nc(c1)Cl)F 27a_100000210904_100011069727 [0,2,0,0,0,0|2,0,0]=4 22399 B13R1.3420 CC(O)CNc1cc(nc(c1)F)F 27a_100000210904_100000049587 [0,2,0,0,0,0|2,0,0]=4 22400 B13R1.3420 CC(O)COc1cc(cc(c1)Br)Br 34a_100010167048_100011218427 [0,2,0,0,0,0|1,0,0]=3 22401 B13R1.3420 CC(O)COc1cc(cc(c1)Br)Br 7a_100010167048_100011218427 [0,2,0,0,0,0|1,0,0]=3 22402 B13R1.3420 CC(O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100011218427 [0,2,0,0,0,0|1,0,0]=3 22403 B13R1.3420 CC(O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100011218427 [0,2,0,0,0,0|1,0,0]=3 22404 B13R1.3420 CC(O)COc1cc(cc(c1)Br)F 34a_100000688818_100011218427 [0,2,0,0,0,0|1,0,0]=3 22405 B13R1.3420 CC(O)COc1cc(cc(c1)Br)F 7a_100000688818_100011218427 [0,2,0,0,0,0|1,0,0]=3 22406 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100011218427 [0,2,0,0,0,0|1,0,0]=3 22407 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100011218427 [0,2,0,0,0,0|1,0,0]=3 22408 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)F 34a_100011219751_100011218427 [0,2,0,0,0,0|1,0,0]=3 22409 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)F 7a_100011219751_100011218427 [0,2,0,0,0,0|1,0,0]=3 22410 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)N 34a_100000123917_100011218427 [0,2,0,0,0,0|1,0,0]=3 22411 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)N 7a_100000123917_100011218427 [0,2,0,0,0,0|1,0,0]=3 22412 B13R1.3420 CC(O)COc1cc(cc(c1)F)F 34a_100000747503_100011218427 [0,2,0,0,0,0|1,0,0]=3 22413 B13R1.3420 CC(O)COc1cc(cc(c1)F)F 7a_100000747503_100011218427 [0,2,0,0,0,0|1,0,0]=3 22414 B13R1.3420 CC(O)COc1cc(cc(c1)I)Br 34a_100010068917_100011218427 [0,2,0,0,0,0|1,0,0]=3 22415 B13R1.3420 CC(O)COc1cc(cc(c1)I)Br 7a_100010068917_100011218427 [0,2,0,0,0,0|1,0,0]=3 22416 B13R1.3420 CC(O)COc1cc(cc(c1)I)Cl 34a_100010068924_100011218427 [0,2,0,0,0,0|1,0,0]=3 22417 B13R1.3420 CC(O)COc1cc(cc(c1)I)Cl 7a_100010068924_100011218427 [0,2,0,0,0,0|1,0,0]=3 22418 B13R1.3420 CC(O)COc1cc(cc(c1)I)F 34a_100000717995_100011218427 [0,2,0,0,0,0|1,0,0]=3 22419 B13R1.3420 CC(O)COc1cc(cc(c1)I)F 7a_100000717995_100011218427 [0,2,0,0,0,0|1,0,0]=3 22420 B13R1.3420 CC(O)COc1cc(nc(c1)Br)Br 34a_100010172823_100011218427 [0,2,0,0,0,0|2,0,0]=4 22421 B13R1.3420 CC(O)COc1cc(nc(c1)Br)Br 7a_100010172823_100011218427 [0,2,0,0,0,0|2,0,0]=4 22422 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)Br 62a_100009814770_100011218427 [0,2,0,0,0,0|1,0,0]=3 22423 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)Br 62a_100011218427_100009814770 [0,2,0,0,0,0|1,0,0]=3 22424 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100011218427 [0,2,0,0,0,0|1,0,0]=3 22425 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)Cl 62a_100011218427_100009814755 [0,2,0,0,0,0|1,0,0]=3 22426 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)F 62a_100009814764_100011218427 [0,2,0,0,0,0|1,0,0]=3 22427 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)F 62a_100011218427_100009814764 [0,2,0,0,0,0|1,0,0]=3 22428 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)N 62a_100009814763_100011218427 [0,2,0,0,0,0|1,0,0]=3 22429 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)N 62a_100011218427_100009814763 [0,2,0,0,0,0|1,0,0]=3 22430 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)O 62a_100010068917_100011218427 [0,2,0,0,0,0|1,0,0]=3 22431 B13R1.3420 CC(O)CSc1cc(cc(c1)Br)O 62a_100011218427_100010068917 [0,2,0,0,0,0|1,0,0]=3 22432 B13R1.3420 CC(O)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100011218427 [0,2,0,0,0,0|1,0,0]=3 22433 B13R1.3420 CC(O)CSc1cc(cc(c1)Cl)Cl 62a_100011218427_100000747138 [0,2,0,0,0,0|1,0,0]=3 22434 B13R1.3420 CC(O)CSc1cc(cc(c1)Cl)F 62a_100011218427_100013859453 [0,2,0,0,0,0|1,0,0]=3 22435 B13R1.3420 CC(O)CSc1cc(cc(c1)Cl)F 62a_100013859453_100011218427 [0,2,0,0,0,0|1,0,0]=3 22436 B13R1.3420 CC(O)CSc1cc(cc(c1)Cl)N 62a_100010147676_100011218427 [0,2,0,0,0,0|1,0,0]=3 22437 B13R1.3420 CC(O)CSc1cc(cc(c1)Cl)N 62a_100011218427_100010147676 [0,2,0,0,0,0|1,0,0]=3 22438 B13R1.3420 CC(O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100011218427 [0,2,0,0,0,0|1,0,0]=3 22439 B13R1.3420 CC(O)CSc1cc(cc(c1)Cl)O 62a_100011218427_100010068924 [0,2,0,0,0,0|1,0,0]=3 22440 B13R1.3420 CC(O)CSc1cc(cc(c1)F)F 62a_100000233788_100011218427 [0,2,0,0,0,0|1,0,0]=3 22441 B13R1.3420 CC(O)CSc1cc(cc(c1)F)F 62a_100011218427_100000233788 [0,2,0,0,0,0|1,0,0]=3 22442 B13R1.3420 CC(O)CSc1cc(cc(c1)F)N 62a_100011218427_100011356972 [0,2,0,0,0,0|1,0,0]=3 22443 B13R1.3420 CC(O)CSc1cc(cc(c1)F)N 62a_100011356972_100011218427 [0,2,0,0,0,0|1,0,0]=3 22444 B13R1.3420 CC(O)CSc1cc(cc(c1)F)O 62a_100000688818_100011218427 [0,2,0,0,0,0|1,0,0]=3 22445 B13R1.3420 CC(O)CSc1cc(cc(c1)F)O 62a_100011218427_100000688818 [0,2,0,0,0,0|1,0,0]=3 22446 B13R1.3420 CC(O)CSc1cc(cc(c1)N)N 62a_100011218427_100011999608 [0,2,0,0,0,0|1,0,0]=3 22447 B13R1.3420 CC(O)CSc1cc(cc(c1)N)N 62a_100011999608_100011218427 [0,2,0,0,0,0|1,0,0]=3 22448 B13R1.3420 CC(O)CSc1cc(cc(c1)O)O 62a_100011218427_100009868816 [0,2,0,0,0,0|1,0,0]=3 22449 B13R1.3420 CC(O)CSc1cc(cc(n1)O)N 62a_100011218427_200012179554 [0,2,0,0,0,0|2,0,0]=4 22450 B13R1.3420 CC(O)CSc1cc(nc(c1)Cl)Cl 62a_100000062418_100011218427 [0,2,0,0,0,0|2,0,0]=4 22451 B13R1.3420 CC(O)CSc1cc(nc(c1)Cl)Cl 62a_100011218427_100000062418 [0,2,0,0,0,0|2,0,0]=4 22452 B13R1.3420 CC(O)CSc1cc(nc(c1)Cl)F 62a_100011069727_100011218427 [0,2,0,0,0,0|2,0,0]=4 22453 B13R1.3420 CC(O)CSc1cc(nc(c1)Cl)F 62a_100011218427_100011069727 [0,2,0,0,0,0|2,0,0]=4 22454 B13R1.3420 CC(O)CSc1cc(nc(c1)Cl)N 62a_100011218427_200011084131 [0,2,0,0,0,0|2,0,0]=4 22455 B13R1.3420 CC(O)CSc1cc(nc(c1)Cl)N 62a_200011084131_100011218427 [0,2,0,0,0,0|2,0,0]=4 22456 B13R1.3420 CC(O)CSc1cc(nc(c1)F)F 62a_100000049587_100011218427 [0,2,0,0,0,0|2,0,0]=4 22457 B13R1.3420 CC(O)CSc1cc(nc(c1)F)F 62a_100011218427_100000049587 [0,2,0,0,0,0|2,0,0]=4 22458 B13R1.3420 CC(O)CSc1cc(nc(c1)N)N 62a_100009816676_100011218427 [0,2,0,0,0,0|2,0,0]=4 22459 B13R1.3420 CN(C)CCc1cc(cc(c1)Cl)Cl 2230a_100102631434_100000691793 [0,2,0,0,0,0|2,0,0]=4 22460 B13R1.3420 CN(C)CCc1cc(cc(c1)Cl)Cl 269982a_100102631434_100000691793 [0,2,0,0,0,0|2,0,0]=4 22461 B13R1.3420 CN(C)CCc1cc(cc(c1)F)F 2230a_100102631434_100011754442 [0,2,0,0,0,0|2,0,0]=4 22462 B13R1.3420 CN(C)CCc1cc(cc(c1)F)F 269982a_100102631434_100011754442 [0,2,0,0,0,0|2,0,0]=4 22463 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Br)Br 34a_100012047176_100009817552 [0,2,0,0,0,0|1,0,0]=3 22464 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Br)Br 7a_100012047176_100009817552 [0,2,0,0,0,0|1,0,0]=3 22465 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100009817552 [0,2,0,0,0,0|1,0,0]=3 22466 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100009817552 [0,2,0,0,0,0|1,0,0]=3 22467 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Br)F 34a_100000705686_100009817552 [0,2,0,0,0,0|1,0,0]=3 22468 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Br)F 7a_100000705686_100009817552 [0,2,0,0,0,0|1,0,0]=3 22469 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100009817552 [0,2,0,0,0,0|1,0,0]=3 22470 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100009817552 [0,2,0,0,0,0|1,0,0]=3 22471 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Cl)F 34a_100000686136_100009817552 [0,2,0,0,0,0|1,0,0]=3 22472 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Cl)F 7a_100000686136_100009817552 [0,2,0,0,0,0|1,0,0]=3 22473 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100009817552 [0,2,0,0,0,0|1,0,0]=3 22474 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100009817552 [0,2,0,0,0,0|1,0,0]=3 22475 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)F)F 34a_100000233717_100009817552 [0,2,0,0,0,0|1,0,0]=3 22476 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)F)F 7a_100000233717_100009817552 [0,2,0,0,0,0|1,0,0]=3 22477 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)I)Br 7a_100009814763_100009817552 [0,2,0,0,0,0|1,0,0]=3 22478 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)I)Cl 7a_100010147676_100009817552 [0,2,0,0,0,0|1,0,0]=3 22479 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)I)F 34a_100011356972_100009817552 [0,2,0,0,0,0|1,0,0]=3 22480 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)I)F 7a_100011356972_100009817552 [0,2,0,0,0,0|1,0,0]=3 22481 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)I)I 7a_200000696836_100009817552 [0,2,0,0,0,0|1,0,0]=3 22482 B13R1.3420 C[C@@H](O)CNc1cc(cc(c1)O)O 34a_100000043371_100009817552 [0,2,0,0,0,0|1,0,0]=3 22483 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)Br 34a_100010167048_100009817552 [0,2,0,0,0,0|1,0,0]=3 22484 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)Br 7a_100010167048_100009817552 [0,2,0,0,0,0|1,0,0]=3 22485 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100009817552 [0,2,0,0,0,0|1,0,0]=3 22486 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100009817552 [0,2,0,0,0,0|1,0,0]=3 22487 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)F 34a_100000688818_100009817552 [0,2,0,0,0,0|1,0,0]=3 22488 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)F 7a_100000688818_100009817552 [0,2,0,0,0,0|1,0,0]=3 22489 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100009817552 [0,2,0,0,0,0|1,0,0]=3 22490 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100009817552 [0,2,0,0,0,0|1,0,0]=3 22491 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)F 34a_100011219751_100009817552 [0,2,0,0,0,0|1,0,0]=3 22492 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)F 7a_100011219751_100009817552 [0,2,0,0,0,0|1,0,0]=3 22493 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)N 34a_100000123917_100009817552 [0,2,0,0,0,0|1,0,0]=3 22494 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)N 7a_100000123917_100009817552 [0,2,0,0,0,0|1,0,0]=3 22495 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)F)F 34a_100000747503_100009817552 [0,2,0,0,0,0|1,0,0]=3 22496 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)F)F 7a_100000747503_100009817552 [0,2,0,0,0,0|1,0,0]=3 22497 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)Br 34a_100010068917_100009817552 [0,2,0,0,0,0|1,0,0]=3 22498 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)Br 7a_100010068917_100009817552 [0,2,0,0,0,0|1,0,0]=3 22499 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)Cl 34a_100010068924_100009817552 [0,2,0,0,0,0|1,0,0]=3 22500 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)Cl 7a_100010068924_100009817552 [0,2,0,0,0,0|1,0,0]=3 22501 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)F 34a_100000717995_100009817552 [0,2,0,0,0,0|1,0,0]=3 22502 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)F 7a_100000717995_100009817552 [0,2,0,0,0,0|1,0,0]=3 22503 B13R1.3420 C[C@@H](O)COc1cc(nc(c1)Br)Br 34a_100010172823_100009817552 [0,2,0,0,0,0|2,0,0]=4 22504 B13R1.3420 C[C@@H](O)COc1cc(nc(c1)Br)Br 7a_100010172823_100009817552 [0,2,0,0,0,0|2,0,0]=4 22505 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)Br 62a_100009814770_100009817552 [0,2,0,0,0,0|1,0,0]=3 22506 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)Br 62a_100009817552_100009814770 [0,2,0,0,0,0|1,0,0]=3 22507 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100009817552 [0,2,0,0,0,0|1,0,0]=3 22508 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)Cl 62a_100009817552_100009814755 [0,2,0,0,0,0|1,0,0]=3 22509 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)F 62a_100009814764_100009817552 [0,2,0,0,0,0|1,0,0]=3 22510 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)F 62a_100009817552_100009814764 [0,2,0,0,0,0|1,0,0]=3 22511 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)N 62a_100009814763_100009817552 [0,2,0,0,0,0|1,0,0]=3 22512 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)N 62a_100009817552_100009814763 [0,2,0,0,0,0|1,0,0]=3 22513 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)O 62a_100009817552_100010068917 [0,2,0,0,0,0|1,0,0]=3 22514 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Br)O 62a_100010068917_100009817552 [0,2,0,0,0,0|1,0,0]=3 22515 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100009817552 [0,2,0,0,0,0|1,0,0]=3 22516 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Cl)Cl 62a_100009817552_100000747138 [0,2,0,0,0,0|1,0,0]=3 22517 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Cl)F 62a_100009817552_100013859453 [0,2,0,0,0,0|1,0,0]=3 22518 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Cl)F 62a_100013859453_100009817552 [0,2,0,0,0,0|1,0,0]=3 22519 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Cl)N 62a_100009817552_100010147676 [0,2,0,0,0,0|1,0,0]=3 22520 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Cl)N 62a_100010147676_100009817552 [0,2,0,0,0,0|1,0,0]=3 22521 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Cl)O 62a_100009817552_100010068924 [0,2,0,0,0,0|1,0,0]=3 22522 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100009817552 [0,2,0,0,0,0|1,0,0]=3 22523 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)F)F 62a_100000233788_100009817552 [0,2,0,0,0,0|1,0,0]=3 22524 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)F)F 62a_100009817552_100000233788 [0,2,0,0,0,0|1,0,0]=3 22525 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)F)N 62a_100009817552_100011356972 [0,2,0,0,0,0|1,0,0]=3 22526 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)F)N 62a_100011356972_100009817552 [0,2,0,0,0,0|1,0,0]=3 22527 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)F)O 62a_100000688818_100009817552 [0,2,0,0,0,0|1,0,0]=3 22528 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)F)O 62a_100009817552_100000688818 [0,2,0,0,0,0|1,0,0]=3 22529 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)N)N 62a_100009817552_100011999608 [0,2,0,0,0,0|1,0,0]=3 22530 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)N)N 62a_100011999608_100009817552 [0,2,0,0,0,0|1,0,0]=3 22531 B13R1.3420 C[C@@H](O)CSc1cc(cc(c1)O)O 62a_100009817552_100009868816 [0,2,0,0,0,0|1,0,0]=3 22532 B13R1.3420 C[C@@H](O)CSc1cc(cc(n1)O)N 62a_100009817552_200012179554 [0,2,0,0,0,0|2,0,0]=4 22533 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)Cl)Cl 62a_100000062418_100009817552 [0,2,0,0,0,0|2,0,0]=4 22534 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)Cl)Cl 62a_100009817552_100000062418 [0,2,0,0,0,0|2,0,0]=4 22535 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)Cl)F 62a_100009817552_100011069727 [0,2,0,0,0,0|2,0,0]=4 22536 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)Cl)F 62a_100011069727_100009817552 [0,2,0,0,0,0|2,0,0]=4 22537 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)Cl)N 62a_100009817552_200011084131 [0,2,0,0,0,0|2,0,0]=4 22538 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)Cl)N 62a_200011084131_100009817552 [0,2,0,0,0,0|2,0,0]=4 22539 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)F)F 62a_100000049587_100009817552 [0,2,0,0,0,0|2,0,0]=4 22540 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)F)F 62a_100009817552_100000049587 [0,2,0,0,0,0|2,0,0]=4 22541 B13R1.3420 C[C@@H](O)CSc1cc(nc(c1)N)N 62a_100009816676_100009817552 [0,2,0,0,0,0|2,0,0]=4 22542 B13R1.3420 Cc1cc(=O)cc(o1)OCC(C)O 34a_100016989201_100011218427 [0,2,0,0,0,0|2,0,0]=4 22543 B13R1.3420 Cc1cc(=O)cc(o1)OC[C@@H](C)O 34a_100016989201_100009817552 [0,2,0,0,0,0|2,0,0]=4 22544 B13R1.3420 Cc1cc(cc(=O)[nH]1)NCC(C)O 27a_100000210904_100009861981 [0,2,0,0,0,0|2,0,0]=4 22545 B13R1.3420 Cc1cc(cc(=O)[nH]1)OCC(C)O 34a_100000039070_100011218427 [0,2,0,0,0,0|2,0,0]=4 22546 B13R1.3420 Cc1cc(cc(=O)[nH]1)OC[C@@H](C)O 34a_100000039070_100009817552 [0,2,0,0,0,0|2,0,0]=4 22547 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(C)O 62a_100009861981_100011218427 [0,2,0,0,0,0|2,0,0]=4 22548 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(C)O 62a_100011218427_100009861981 [0,2,0,0,0,0|2,0,0]=4 22549 B13R1.3420 Cc1cc(cc(=O)[nH]1)SC[C@@H](C)O 62a_100009817552_100009861981 [0,2,0,0,0,0|2,0,0]=4 22550 B13R1.3420 Cc1cc(cc(=O)[nH]1)SC[C@@H](C)O 62a_100009861981_100009817552 [0,2,0,0,0,0|2,0,0]=4 22551 B13R1.3420 Cc1cc(cc(=O)o1)OCC(C)O 34a_100000210952_100011218427 [0,2,0,0,0,0|2,0,0]=4 22552 B13R1.3420 Cc1cc(cc(=O)o1)OCC(C)O 7a_100000210952_100011218427 [0,2,0,0,0,0|2,0,0]=4 22553 B13R1.3420 Cc1cc(cc(=O)o1)OC[C@@H](C)O 34a_100000210952_100009817552 [0,2,0,0,0,0|2,0,0]=4 22554 B13R1.3420 Cc1cc(cc(=O)o1)OC[C@@H](C)O 7a_100000210952_100009817552 [0,2,0,0,0,0|2,0,0]=4 22555 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)C 271570a_200011019289_100011215608 [0,2,0,0,0,0|0,0,2]=4 22556 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)Cl 271570a_200011019289_100010172791 [0,2,0,0,0,0|0,0,2]=4 22557 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)F 271570a_200011019289_100011356977 [0,2,0,0,0,0|0,0,2]=4 22558 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)N 271570a_200011019289_100000695972 [0,2,0,0,0,0|0,0,2]=4 22559 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)O 271570a_200011019289_100011999630 [0,2,0,0,0,0|0,0,2]=4 22560 B13R1.3420 Cc1cc(cc(c1)CCC(=O)[13CH3])C 1458a_100000688337_200025704644 [0,2,0,0,0,0|0,0,2]=4 22561 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)Br 207a_100138425928_100000686105 [0,2,0,0,0,0|2,0,0]=4 22562 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)Br 2230a_100138425928_100012348363 [0,2,0,0,0,0|2,0,0]=4 22563 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)Br 34a_100138425928_100012348363 [0,2,0,0,0,0|2,0,0]=4 22564 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 207a_100138425928_100000745632 [0,2,0,0,0,0|2,0,0]=4 22565 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 2230a_100020591340_100000210206 [0,2,0,0,0,0|2,0,0]=4 22566 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 2230a_100138425928_100000181317 [0,2,0,0,0,0|2,0,0]=4 22567 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 34a_100020591340_100000210206 [0,2,0,0,0,0|2,0,0]=4 22568 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)C 34a_100138425928_100000181317 [0,2,0,0,0,0|2,0,0]=4 22569 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)Cl 207a_100138425928_100000684525 [0,2,0,0,0,0|2,0,0]=4 22570 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 207a_100138425928_100011217087 [0,2,0,0,0,0|2,0,0]=4 22571 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 2230a_100011830484_100000210206 [0,2,0,0,0,0|2,0,0]=4 22572 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 2230a_100138425928_100011219130 [0,2,0,0,0,0|2,0,0]=4 22573 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 34a_100011830484_100000210206 [0,2,0,0,0,0|2,0,0]=4 22574 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)F 34a_100138425928_100011219130 [0,2,0,0,0,0|2,0,0]=4 22575 B13R1.3420 Cc1cc(cc(c1)CNC(C)C)O 207a_100138425928_100009853434 [0,2,0,0,0,0|2,0,0]=4 22576 B13R1.3420 Cc1cc(cc(c1)COC(C)C)Br 34a_100000212225_100012348363 [0,2,0,0,0,0|2,0,0]=4 22577 B13R1.3420 Cc1cc(cc(c1)COC(C)C)Br 34a_100000720511_100000210206 [0,2,0,0,0,0|2,0,0]=4 22578 B13R1.3420 Cc1cc(cc(c1)COC(C)C)Br 7a_100000720511_100000210206 [0,2,0,0,0,0|2,0,0]=4 22579 B13R1.3420 Cc1cc(cc(c1)COC(C)C)C 34a_100000212225_100000181317 [0,2,0,0,0,0|2,0,0]=4 22580 B13R1.3420 Cc1cc(cc(c1)COC(C)C)C 34a_100011216556_100000210206 [0,2,0,0,0,0|2,0,0]=4 22581 B13R1.3420 Cc1cc(cc(c1)COC(C)C)C 7a_100011216556_100000210206 [0,2,0,0,0,0|2,0,0]=4 22582 B13R1.3420 Cc1cc(cc(c1)COC(C)C)F 34a_100000212225_100011219130 [0,2,0,0,0,0|2,0,0]=4 22583 B13R1.3420 Cc1cc(cc(c1)COC(C)C)F 34a_100011217934_100000210206 [0,2,0,0,0,0|2,0,0]=4 22584 B13R1.3420 Cc1cc(cc(c1)COC(C)C)F 7a_100011217934_100000210206 [0,2,0,0,0,0|2,0,0]=4 22585 B13R1.3420 Cc1cc(cc(c1)CSC(C)C)Br 62a_100000210206_100012348363 [0,2,0,0,0,0|2,0,0]=4 22586 B13R1.3420 Cc1cc(cc(c1)CSC(C)C)Br 62a_100012348363_100000210206 [0,2,0,0,0,0|2,0,0]=4 22587 B13R1.3420 Cc1cc(cc(c1)CSC(C)C)C 62a_100000181317_100000210206 [0,2,0,0,0,0|2,0,0]=4 22588 B13R1.3420 Cc1cc(cc(c1)CSC(C)C)C 62a_100000210206_100000181317 [0,2,0,0,0,0|2,0,0]=4 22589 B13R1.3420 Cc1cc(cc(c1)CSC(C)C)F 62a_100000210206_100011219130 [0,2,0,0,0,0|2,0,0]=4 22590 B13R1.3420 Cc1cc(cc(c1)CSC(C)C)F 62a_100011219130_100000210206 [0,2,0,0,0,0|2,0,0]=4 22591 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)Br 34a_100000695972_100000210624 [0,2,0,0,0,0|2,0,0]=4 22592 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)Br 7a_100000695972_100000210760 [0,2,0,0,0,0|2,0,0]=4 22593 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)C 2230a_100000210930_100000210760 [0,2,0,0,0,0|2,0,0]=4 22594 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)C 34a_100000210930_100000210624 [0,2,0,0,0,0|2,0,0]=4 22595 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)C 7a_100000210930_100000210760 [0,2,0,0,0,0|2,0,0]=4 22596 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)Cl 2230a_100012022512_100000210760 [0,2,0,0,0,0|2,0,0]=4 22597 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)Cl 34a_100012022512_100000210624 [0,2,0,0,0,0|2,0,0]=4 22598 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)Cl 7a_100012022512_100000210760 [0,2,0,0,0,0|2,0,0]=4 22599 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)F 2230a_100000742734_100000210760 [0,2,0,0,0,0|2,0,0]=4 22600 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)F 34a_100000742734_100000210624 [0,2,0,0,0,0|2,0,0]=4 22601 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)F 7a_100000742734_100000210760 [0,2,0,0,0,0|2,0,0]=4 22602 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)O 34a_100011995906_100000210624 [0,2,0,0,0,0|2,0,0]=4 22603 B13R1.3420 Cc1cc(cc(c1)NCC(C)C)O 7a_100011995906_100000210760 [0,2,0,0,0,0|2,0,0]=4 22604 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)Br 34a_100000695972_100011218427 [0,2,0,0,0,0|1,0,0]=3 22605 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)Br 7a_100000695972_100011218427 [0,2,0,0,0,0|1,0,0]=3 22606 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)C 2230a_100000210930_100011218427 [0,2,0,0,0,0|1,0,0]=3 22607 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)C 34a_100000210930_100011218427 [0,2,0,0,0,0|1,0,0]=3 22608 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)C 7a_100000210930_100011218427 [0,2,0,0,0,0|1,0,0]=3 22609 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)Cl 2230a_100012022512_100011218427 [0,2,0,0,0,0|1,0,0]=3 22610 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)Cl 34a_100012022512_100011218427 [0,2,0,0,0,0|1,0,0]=3 22611 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)Cl 7a_100012022512_100011218427 [0,2,0,0,0,0|1,0,0]=3 22612 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)F 2230a_100000742734_100011218427 [0,2,0,0,0,0|1,0,0]=3 22613 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)F 34a_100000742734_100011218427 [0,2,0,0,0,0|1,0,0]=3 22614 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)F 7a_100000742734_100011218427 [0,2,0,0,0,0|1,0,0]=3 22615 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)O 34a_100011995906_100011218427 [0,2,0,0,0,0|1,0,0]=3 22616 B13R1.3420 Cc1cc(cc(c1)NCC(C)O)O 7a_100011995906_100011218427 [0,2,0,0,0,0|1,0,0]=3 22617 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)Br 34a_100000695972_100009817552 [0,2,0,0,0,0|1,0,0]=3 22618 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)Br 7a_100000695972_100009817552 [0,2,0,0,0,0|1,0,0]=3 22619 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)C 2230a_100000210930_100009817552 [0,2,0,0,0,0|1,0,0]=3 22620 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)C 34a_100000210930_100009817552 [0,2,0,0,0,0|1,0,0]=3 22621 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)C 7a_100000210930_100009817552 [0,2,0,0,0,0|1,0,0]=3 22622 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)Cl 2230a_100012022512_100009817552 [0,2,0,0,0,0|1,0,0]=3 22623 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)Cl 34a_100012022512_100009817552 [0,2,0,0,0,0|1,0,0]=3 22624 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)Cl 7a_100012022512_100009817552 [0,2,0,0,0,0|1,0,0]=3 22625 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)F 2230a_100000742734_100009817552 [0,2,0,0,0,0|1,0,0]=3 22626 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)F 34a_100000742734_100009817552 [0,2,0,0,0,0|1,0,0]=3 22627 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)F 7a_100000742734_100009817552 [0,2,0,0,0,0|1,0,0]=3 22628 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)O 34a_100011995906_100009817552 [0,2,0,0,0,0|1,0,0]=3 22629 B13R1.3420 Cc1cc(cc(c1)NC[C@@H](C)O)O 7a_100011995906_100009817552 [0,2,0,0,0,0|1,0,0]=3 22630 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)Br 34a_100011999630_100000210624 [0,2,0,0,0,0|2,0,0]=4 22631 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)Br 7a_100011999630_100000210760 [0,2,0,0,0,0|2,0,0]=4 22632 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)C 34a_100000210933_100000210624 [0,2,0,0,0,0|2,0,0]=4 22633 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)C 7a_100000210933_100000210760 [0,2,0,0,0,0|2,0,0]=4 22634 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)Cl 34a_100000087485_100000210624 [0,2,0,0,0,0|2,0,0]=4 22635 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)Cl 7a_100000087485_100000210760 [0,2,0,0,0,0|2,0,0]=4 22636 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)F 34a_100011830401_100000210624 [0,2,0,0,0,0|2,0,0]=4 22637 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)F 7a_100011830401_100000210760 [0,2,0,0,0,0|2,0,0]=4 22638 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)N 34a_100011995906_100000210624 [0,2,0,0,0,0|2,0,0]=4 22639 B13R1.3420 Cc1cc(cc(c1)OCC(C)C)N 7a_100011995906_100000210760 [0,2,0,0,0,0|2,0,0]=4 22640 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)Br 34a_100011999630_100011218427 [0,2,0,0,0,0|1,0,0]=3 22641 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)Br 7a_100011999630_100011218427 [0,2,0,0,0,0|1,0,0]=3 22642 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)C 34a_100000210933_100011218427 [0,2,0,0,0,0|1,0,0]=3 22643 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)C 7a_100000210933_100011218427 [0,2,0,0,0,0|1,0,0]=3 22644 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)Cl 34a_100000087485_100011218427 [0,2,0,0,0,0|1,0,0]=3 22645 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)Cl 7a_100000087485_100011218427 [0,2,0,0,0,0|1,0,0]=3 22646 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)F 34a_100011830401_100011218427 [0,2,0,0,0,0|1,0,0]=3 22647 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)F 7a_100011830401_100011218427 [0,2,0,0,0,0|1,0,0]=3 22648 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)N 34a_100011995906_100011218427 [0,2,0,0,0,0|1,0,0]=3 22649 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)N 7a_100011995906_100011218427 [0,2,0,0,0,0|1,0,0]=3 22650 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)Br 34a_100011999630_100009817552 [0,2,0,0,0,0|1,0,0]=3 22651 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)Br 7a_100011999630_100009817552 [0,2,0,0,0,0|1,0,0]=3 22652 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)C 34a_100000210933_100009817552 [0,2,0,0,0,0|1,0,0]=3 22653 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)C 7a_100000210933_100009817552 [0,2,0,0,0,0|1,0,0]=3 22654 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)Cl 34a_100000087485_100009817552 [0,2,0,0,0,0|1,0,0]=3 22655 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)Cl 7a_100000087485_100009817552 [0,2,0,0,0,0|1,0,0]=3 22656 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)F 34a_100011830401_100009817552 [0,2,0,0,0,0|1,0,0]=3 22657 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)F 7a_100011830401_100009817552 [0,2,0,0,0,0|1,0,0]=3 22658 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)N 34a_100011995906_100009817552 [0,2,0,0,0,0|1,0,0]=3 22659 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)N 7a_100011995906_100009817552 [0,2,0,0,0,0|1,0,0]=3 22660 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)C 62a_100000210624_100011215608 [0,2,0,0,0,0|2,0,0]=4 22661 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)C 62a_100011215608_100000210760 [0,2,0,0,0,0|2,0,0]=4 22662 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)Cl 62a_100000210624_100010172791 [0,2,0,0,0,0|2,0,0]=4 22663 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)Cl 62a_100010172791_100000210760 [0,2,0,0,0,0|2,0,0]=4 22664 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)F 62a_100000210624_100011356977 [0,2,0,0,0,0|2,0,0]=4 22665 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)F 62a_100011356977_100000210760 [0,2,0,0,0,0|2,0,0]=4 22666 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)N 62a_100000210624_100000695972 [0,2,0,0,0,0|2,0,0]=4 22667 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)N 62a_100000695972_100000210760 [0,2,0,0,0,0|2,0,0]=4 22668 B13R1.3420 Cc1cc(cc(c1)SCC(C)C)O 62a_100000210624_100011999630 [0,2,0,0,0,0|2,0,0]=4 22669 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)C 62a_100011215608_100011218427 [0,2,0,0,0,0|1,0,0]=3 22670 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)C 62a_100011218427_100011215608 [0,2,0,0,0,0|1,0,0]=3 22671 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)Cl 62a_100010172791_100011218427 [0,2,0,0,0,0|1,0,0]=3 22672 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)Cl 62a_100011218427_100010172791 [0,2,0,0,0,0|1,0,0]=3 22673 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)F 62a_100011218427_100011356977 [0,2,0,0,0,0|1,0,0]=3 22674 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)F 62a_100011356977_100011218427 [0,2,0,0,0,0|1,0,0]=3 22675 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)N 62a_100000695972_100011218427 [0,2,0,0,0,0|1,0,0]=3 22676 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)N 62a_100011218427_100000695972 [0,2,0,0,0,0|1,0,0]=3 22677 B13R1.3420 Cc1cc(cc(c1)SCC(C)O)O 62a_100011218427_100011999630 [0,2,0,0,0,0|1,0,0]=3 22678 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)C 62a_100009817552_100011215608 [0,2,0,0,0,0|1,0,0]=3 22679 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)C 62a_100011215608_100009817552 [0,2,0,0,0,0|1,0,0]=3 22680 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)Cl 62a_100009817552_100010172791 [0,2,0,0,0,0|1,0,0]=3 22681 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)Cl 62a_100010172791_100009817552 [0,2,0,0,0,0|1,0,0]=3 22682 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)F 62a_100009817552_100011356977 [0,2,0,0,0,0|1,0,0]=3 22683 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)F 62a_100011356977_100009817552 [0,2,0,0,0,0|1,0,0]=3 22684 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)N 62a_100000695972_100009817552 [0,2,0,0,0,0|1,0,0]=3 22685 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)N 62a_100009817552_100000695972 [0,2,0,0,0,0|1,0,0]=3 22686 B13R1.3420 Cc1cc(cc(c1)SC[C@@H](C)O)O 62a_100009817552_100011999630 [0,2,0,0,0,0|1,0,0]=3 22687 B13R1.3420 Cc1cc(cc(n1)C)NCC(C)O 27a_100000210904_100000066820 [0,2,0,0,0,0|2,0,0]=4 22688 B13R1.3420 Cc1cc(cc(n1)C)SCC(C)O 62a_100000066820_100011218427 [0,2,0,0,0,0|2,0,0]=4 22689 B13R1.3420 Cc1cc(cc(n1)C)SCC(C)O 62a_100011218427_100000066820 [0,2,0,0,0,0|2,0,0]=4 22690 B13R1.3420 Cc1cc(cc(n1)C)SC[C@@H](C)O 62a_100000066820_100009817552 [0,2,0,0,0,0|2,0,0]=4 22691 B13R1.3420 Cc1cc(cc(n1)C)SC[C@@H](C)O 62a_100009817552_100000066820 [0,2,0,0,0,0|2,0,0]=4 22692 B13R1.3420 Cc1cc(cc(n1)Cl)NCC(C)O 27a_100000210904_100010068023 [0,2,0,0,0,0|2,0,0]=4 22693 B13R1.3420 Cc1cc(cc(n1)Cl)SCC(C)O 62a_100010068023_100011218427 [0,2,0,0,0,0|2,0,0]=4 22694 B13R1.3420 Cc1cc(cc(n1)Cl)SCC(C)O 62a_100011218427_100010068023 [0,2,0,0,0,0|2,0,0]=4 22695 B13R1.3420 Cc1cc(cc(n1)Cl)SC[C@@H](C)O 62a_100009817552_100010068023 [0,2,0,0,0,0|2,0,0]=4 22696 B13R1.3420 Cc1cc(cc(n1)Cl)SC[C@@H](C)O 62a_100010068023_100009817552 [0,2,0,0,0,0|2,0,0]=4 22697 B13R1.3420 Cc1cc(cc(n1)F)NCC(C)O 27a_100000210904_100010006595 [0,2,0,0,0,0|2,0,0]=4 22698 B13R1.3420 Cc1cc(cc(n1)F)SCC(C)O 62a_100010006595_100011218427 [0,2,0,0,0,0|2,0,0]=4 22699 B13R1.3420 Cc1cc(cc(n1)F)SCC(C)O 62a_100011218427_100010006595 [0,2,0,0,0,0|2,0,0]=4 22700 B13R1.3420 Cc1cc(cc(n1)F)SC[C@@H](C)O 62a_100009817552_100010006595 [0,2,0,0,0,0|2,0,0]=4 22701 B13R1.3420 Cc1cc(cc(n1)F)SC[C@@H](C)O 62a_100010006595_100009817552 [0,2,0,0,0,0|2,0,0]=4 22702 B13R1.3420 Cc1cc(cc(n1)N)SCC(C)O 62a_100000076705_100011218427 [0,2,0,0,0,0|2,0,0]=4 22703 B13R1.3420 Cc1cc(cc(n1)N)SCC(C)O 62a_100011218427_100000076705 [0,2,0,0,0,0|2,0,0]=4 22704 B13R1.3420 Cc1cc(cc(n1)N)SC[C@@H](C)O 62a_100000076705_100009817552 [0,2,0,0,0,0|2,0,0]=4 22705 B13R1.3420 Cc1cc(cc(n1)N)SC[C@@H](C)O 62a_100009817552_100000076705 [0,2,0,0,0,0|2,0,0]=4 22706 B13R1.3420 Cc1cc(cc(n1)SCC(C)O)N 62a_100000071261_100011218427 [0,2,0,0,0,0|2,0,0]=4 22707 B13R1.3420 Cc1cc(cc(n1)SCC(C)O)N 62a_100011218427_100000071261 [0,2,0,0,0,0|2,0,0]=4 22708 B13R1.3420 Cc1cc(cc(n1)SC[C@@H](C)O)N 62a_100000071261_100009817552 [0,2,0,0,0,0|2,0,0]=4 22709 B13R1.3420 Cc1cc(cc(n1)SC[C@@H](C)O)N 62a_100009817552_100000071261 [0,2,0,0,0,0|2,0,0]=4 22710 B13R1.3420 Cc1cc(nc(c1)NCC(C)O)C 27a_100000210904_100000069240 [0,2,0,0,0,0|2,0,0]=4 22711 B13R1.3420 Cc1cc(nc(c1)NCC(C)O)F 27a_100000210904_100009819601 [0,2,0,0,0,0|2,0,0]=4 22712 B13R1.3420 Cc1cc(nc(c1)SCC(C)O)C 62a_100000069240_100011218427 [0,2,0,0,0,0|2,0,0]=4 22713 B13R1.3420 Cc1cc(nc(c1)SCC(C)O)C 62a_100011218427_100000069240 [0,2,0,0,0,0|2,0,0]=4 22714 B13R1.3420 Cc1cc(nc(c1)SCC(C)O)F 62a_100009819601_100011218427 [0,2,0,0,0,0|2,0,0]=4 22715 B13R1.3420 Cc1cc(nc(c1)SCC(C)O)F 62a_100011218427_100009819601 [0,2,0,0,0,0|2,0,0]=4 22716 B13R1.3420 Cc1cc(nc(c1)SCC(C)O)N 62a_100009819863_100011218427 [0,2,0,0,0,0|2,0,0]=4 22717 B13R1.3420 Cc1cc(nc(c1)SCC(C)O)N 62a_100011218427_100009819863 [0,2,0,0,0,0|2,0,0]=4 22718 B13R1.3420 Cc1cc(nc(c1)SC[C@@H](C)O)C 62a_100000069240_100009817552 [0,2,0,0,0,0|2,0,0]=4 22719 B13R1.3420 Cc1cc(nc(c1)SC[C@@H](C)O)C 62a_100009817552_100000069240 [0,2,0,0,0,0|2,0,0]=4 22720 B13R1.3420 Cc1cc(nc(c1)SC[C@@H](C)O)F 62a_100009817552_100009819601 [0,2,0,0,0,0|2,0,0]=4 22721 B13R1.3420 Cc1cc(nc(c1)SC[C@@H](C)O)F 62a_100009819601_100009817552 [0,2,0,0,0,0|2,0,0]=4 22722 B13R1.3420 Cc1cc(nc(c1)SC[C@@H](C)O)N 62a_100009817552_100009819863 [0,2,0,0,0,0|2,0,0]=4 22723 B13R1.3420 Cc1cc(nc(c1)SC[C@@H](C)O)N 62a_100009819863_100009817552 [0,2,0,0,0,0|2,0,0]=4 22724 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200025704644 [0,2,0,0,0,0|0,0,2]=4 22725 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200025704644 [0,2,0,0,0,0|0,0,2]=4 22726 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000689174_200025704644 [0,2,0,0,0,0|0,0,2]=4 22727 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)F)F 1458a_100011934504_200025704644 [0,2,0,0,0,0|0,0,2]=4 22728 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,0,1,1,0,0|0,0,2]=4 22729 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [0,0,1,1,0,0|1,0,1]=4 22730 B11R1.172 CC(O)CCOc1ccsc1 34a_100000106738_100012276601 [0,0,1,1,0,0|2,0,0]=4 22731 B11R1.172 CC(O)CCOc1ccsc1 7a_100000106738_100012276601 [0,0,1,1,0,0|2,0,0]=4 22732 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,0,1,1,0,0|2,0,0]=4 22733 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,0,1,1,0,0|2,0,0]=4 22734 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [0,0,1,1,0,0|2,0,0]=4 22735 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [0,0,1,1,0,0|2,0,0]=4 22736 B11R1.172 CC(O)CCSc1ccoc1 62a_100011215275_100012276601 [0,0,1,1,0,0|2,0,0]=4 22737 B11R1.172 CC(O)CCSc1ccoc1 62a_100012276601_100011215275 [0,0,1,1,0,0|2,0,0]=4 22738 B11R1.172 CC(O)CCSc1ccsc1 62a_100000738268_100012276601 [0,0,1,1,0,0|2,0,0]=4 22739 B11R1.172 CC(O)CCSc1ccsc1 62a_100012276601_100000738268 [0,0,1,1,0,0|2,0,0]=4 22740 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,0,1,1,0,0|0,0,2]=4 22741 B11R1.266 C=Cc1cccc(n1)C(C)O 271570a_100011290941_100009820884 [0,0,1,1,0,0|1,0,1]=4 22742 B11R1.285 C=CC=CC(=O)CCC1CC1 1458a_100016291481_100000694398 [0,0,1,1,0,0|2,0,0]=4 22743 B11R1.285 C=CC=CC(=O)CCC1CO1 1458a_100016291481_100000732470 [0,0,1,1,0,0|1,0,0]=3 22744 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [1,0,0,1,0,0|2,0,0]=4 22745 B11R2.238 c1cc(ccn1)SC2CC2 62a_100000728582_100000211595 [1,0,0,1,0,0|2,0,0]=4 22746 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|1,0,0]=3 22747 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|1,0,0]=3 22748 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|1,0,0]=3 22749 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [1,0,0,1,0,0|2,0,0]=4 22750 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [1,0,0,1,0,0|2,0,0]=4 22751 B11R2.238 c1cncc(c1)SC2CC2 62a_100000210063_100000211595 [1,0,0,1,0,0|2,0,0]=4 22752 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|1,0,0]=3 22753 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|1,0,0]=3 22754 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|1,0,0]=3 22755 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|1,0,0]=3 22756 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|1,0,0]=3 22757 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [0,0,0,1,1,0|2,0,0]=4 22758 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [0,0,0,1,1,0|2,0,0]=4 22759 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [0,0,0,1,1,0|2,0,0]=4 22760 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [0,0,0,1,1,0|2,0,0]=4 22761 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [0,0,0,1,1,0|2,0,0]=4 22762 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [0,0,0,1,1,0|2,0,0]=4 22763 B11R2.385 c1cc(co1)SCC2CO2 62a_100011215275_102125554688 [0,0,0,1,1,0|2,0,0]=4 22764 B11R2.385 c1cc(co1)SCC2CO2 62a_102125554688_100011215275 [0,0,0,1,1,0|2,0,0]=4 22765 B11R2.385 c1cc(co1)SC[C@@H]2CO2 62a_100000745022_100011215275 [0,0,0,1,1,0|2,0,0]=4 22766 B11R2.385 c1cc(co1)SC[C@@H]2CO2 62a_100011215275_100000745022 [0,0,0,1,1,0|2,0,0]=4 22767 B11R2.385 c1cc(cs1)OCC2CO2 34a_100000106738_102125554688 [0,0,0,1,1,0|2,0,0]=4 22768 B11R2.385 c1cc(cs1)OCC2CO2 7a_100000106738_102125554688 [0,0,0,1,1,0|2,0,0]=4 22769 B11R2.385 c1cc(cs1)OC[C@@H]2CO2 7a_100000106738_100000745022 [0,0,0,1,1,0|2,0,0]=4 22770 B11R2.385 c1cc(cs1)SCC2CO2 62a_100000738268_102125554688 [0,0,0,1,1,0|2,0,0]=4 22771 B11R2.385 c1cc(cs1)SCC2CO2 62a_102125554688_100000738268 [0,0,0,1,1,0|2,0,0]=4 22772 B11R2.385 c1cc(cs1)SC[C@@H]2CO2 62a_100000738268_100000745022 [0,0,0,1,1,0|2,0,0]=4 22773 B11R2.385 c1cc(cs1)SC[C@@H]2CO2 62a_100000745022_100000738268 [0,0,0,1,1,0|2,0,0]=4 22774 B11R2.385 c1coc(c1)SCC2CO2 62a_100009814098_102125554688 [0,0,0,1,1,0|2,0,0]=4 22775 B11R2.385 c1coc(c1)SCC2CO2 62a_102125554688_100009814098 [0,0,0,1,1,0|2,0,0]=4 22776 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100000745022_100009814098 [0,0,0,1,1,0|2,0,0]=4 22777 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100009814098_100000745022 [0,0,0,1,1,0|2,0,0]=4 22778 B11R2.385 c1csc(c1)SCC2CO2 62a_100011215356_102125554688 [0,0,0,1,1,0|2,0,0]=4 22779 B11R2.385 c1csc(c1)SCC2CO2 62a_102125554688_100011215356 [0,0,0,1,1,0|2,0,0]=4 22780 B11R2.385 c1csc(c1)SC[C@@H]2CO2 62a_100000745022_100011215356 [0,0,0,1,1,0|2,0,0]=4 22781 B11R2.385 c1csc(c1)SC[C@@H]2CO2 62a_100011215356_100000745022 [0,0,0,1,1,0|2,0,0]=4 22782 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,0,0,1,0,1|2,0,0]=4 22783 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,0,0,1,0,1|2,0,0]=4 22784 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,0,0,1,0,1|2,0,0]=4 22785 B13R2.10 OC1CCN(C1)c2cccnn2 27a_100011215560_100016991348 [0,0,0,1,0,1|2,0,0]=4 22786 B13R2.10 OC1CCN(C1)c2ccncn2 27a_100011215560_100000703185 [0,0,0,1,0,1|2,0,0]=4 22787 B13R2.10 OC1CCN(C1)c2cnccn2 27a_100011215560_100000211759 [0,0,0,1,0,1|2,0,0]=4 22788 B13R2.10 OC1CCN(C1)c2ncccn2 27a_100011215560_100000211032 [0,0,0,1,0,1|2,0,0]=4 22789 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,0,0,1,0,1|2,0,0]=4 22790 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,0,0,1,0,1|2,0,0]=4 22791 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,0,0,1,0,1|2,0,0]=4 22792 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,0,0,1,0,1|1,0,0]=3 22793 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,0,0,1,0,1|1,0,0]=3 22794 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccn2 2230a_100025746932_100000721315 [0,0,0,1,0,1|2,0,0]=4 22795 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccn2 34a_100025746932_100000721315 [0,0,0,1,0,1|2,0,0]=4 22796 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnc2 2230a_100025746932_100000741622 [0,0,0,1,0,1|2,0,0]=4 22797 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnc2 34a_100025746932_100000733263 [0,0,0,1,0,1|2,0,0]=4 22798 B13R2.17 F[C@@H]1C[C@H]1NCc2ccncc2 2230a_100025746932_100015193705 [0,0,0,1,0,1|2,0,0]=4 22799 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,0,0,1,0,1|1,0,0]=3 22800 B13R2.17 F[C@H]1C[C@H]1NCc2ccccn2 2230a_100015190264_100000721315 [0,0,0,1,0,1|2,0,0]=4 22801 B13R2.17 F[C@H]1C[C@H]1NCc2cccnc2 2230a_100015190264_100000741622 [0,0,0,1,0,1|2,0,0]=4 22802 B13R2.17 F[C@H]1C[C@H]1NCc2ccncc2 2230a_100015190264_100015193705 [0,0,0,1,0,1|2,0,0]=4 22803 B13R2.31 CC1CN(C1)Cc2ccccc2 2230a_100000702820_100015291786 [0,0,0,1,0,1|1,0,0]=3 22804 B13R2.31 CC1CN(C1)Cc2ccccc2 269982a_100000702820_100000211182 [0,0,0,1,0,1|1,0,0]=3 22805 B13R2.31 CC1CN(C1)Cc2ccccc2 270004a_100000702820_100015611070 [0,0,0,1,0,1|1,0,0]=3 22806 B13R2.31 CC1CN(C1)Cc2ccccc2 34a_100000702820_100015291786 [0,0,0,1,0,1|1,0,0]=3 22807 B13R2.31 CC1CN(C1)Cc2ccccn2 2230a_100000702820_100000721315 [0,0,0,1,0,1|2,0,0]=4 22808 B13R2.31 CC1CN(C1)Cc2ccccn2 269982a_100000702820_100000721315 [0,0,0,1,0,1|2,0,0]=4 22809 B13R2.31 CC1CN(C1)Cc2ccccn2 270004a_100000702820_100000209966 [0,0,0,1,0,1|2,0,0]=4 22810 B13R2.31 CC1CN(C1)Cc2ccccn2 34a_100000702820_100000721315 [0,0,0,1,0,1|2,0,0]=4 22811 B13R2.31 CC1CN(C1)Cc2cccnc2 2230a_100000702820_100000741622 [0,0,0,1,0,1|2,0,0]=4 22812 B13R2.31 CC1CN(C1)Cc2cccnc2 269982a_100000702820_100000733263 [0,0,0,1,0,1|2,0,0]=4 22813 B13R2.31 CC1CN(C1)Cc2cccnc2 270004a_100000702820_100000209961 [0,0,0,1,0,1|2,0,0]=4 22814 B13R2.31 CC1CN(C1)Cc2cccnc2 34a_100000702820_100000733263 [0,0,0,1,0,1|2,0,0]=4 22815 B13R2.31 CC1CN(C1)Cc2ccncc2 2230a_100000702820_100015193705 [0,0,0,1,0,1|2,0,0]=4 22816 B13R2.31 CC1CN(C1)Cc2ccncc2 269982a_100000702820_100015193705 [0,0,0,1,0,1|2,0,0]=4 22817 B13R2.31 CN1CC(C1)Oc2ccccc2 269982a_100000751016_200000210301 [0,0,0,1,0,1|2,0,0]=4 22818 B13R2.31 FC1CN(C1)Cc2ccccc2 2230a_100000690557_100015291786 [0,0,0,1,0,1|1,0,0]=3 22819 B13R2.31 FC1CN(C1)Cc2ccccc2 269982a_100000690557_100000211182 [0,0,0,1,0,1|1,0,0]=3 22820 B13R2.31 FC1CN(C1)Cc2ccccc2 270004a_100000690557_100015611070 [0,0,0,1,0,1|1,0,0]=3 22821 B13R2.31 FC1CN(C1)Cc2ccccc2 34a_100000690557_100015291786 [0,0,0,1,0,1|1,0,0]=3 22822 B13R2.31 FC1CN(C1)Cc2ccccn2 2230a_100000690557_100000721315 [0,0,0,1,0,1|2,0,0]=4 22823 B13R2.31 FC1CN(C1)Cc2ccccn2 269982a_100000690557_100000721315 [0,0,0,1,0,1|2,0,0]=4 22824 B13R2.31 FC1CN(C1)Cc2ccccn2 270004a_100000690557_100000209966 [0,0,0,1,0,1|2,0,0]=4 22825 B13R2.31 FC1CN(C1)Cc2ccccn2 34a_100000690557_100000721315 [0,0,0,1,0,1|2,0,0]=4 22826 B13R2.31 FC1CN(C1)Cc2cccnc2 2230a_100000690557_100000741622 [0,0,0,1,0,1|2,0,0]=4 22827 B13R2.31 FC1CN(C1)Cc2cccnc2 269982a_100000690557_100000733263 [0,0,0,1,0,1|2,0,0]=4 22828 B13R2.31 FC1CN(C1)Cc2cccnc2 270004a_100000690557_100000209961 [0,0,0,1,0,1|2,0,0]=4 22829 B13R2.31 FC1CN(C1)Cc2cccnc2 34a_100000690557_100000733263 [0,0,0,1,0,1|2,0,0]=4 22830 B13R2.31 FC1CN(C1)Cc2ccncc2 2230a_100000690557_100015193705 [0,0,0,1,0,1|2,0,0]=4 22831 B13R2.31 FC1CN(C1)Cc2ccncc2 269982a_100000690557_100015193705 [0,0,0,1,0,1|2,0,0]=4 22832 B13R2.31 O=C1CC(C1)Sc2ccccc2 62a_100009894365_100000041952 [0,0,0,1,0,1|0,0,2]=4 22833 B13R2.31 OC1CN(C1)Cc2ccccc2 269982a_100000749847_100000211182 [0,0,0,1,0,1|0,0,0]=2 22834 B13R2.31 OC1CN(C1)Cc2ccccn2 269982a_100000749847_100000721315 [0,0,0,1,0,1|1,0,0]=3 22835 B13R2.31 OC1CN(C1)Cc2cccnc2 269982a_100000749847_100000733263 [0,0,0,1,0,1|1,0,0]=3 22836 B13R2.31 OC1CN(C1)Cc2ccncc2 269982a_100000749847_100015193705 [0,0,0,1,0,1|1,0,0]=3 22837 B13R2.31 OC1CN(C1)Cc2cnccn2 269982a_100000749847_100016995436 [0,0,0,1,0,1|2,0,0]=4 22838 B13R2.31 OC1CN(C1)Cc2cncnc2 269982a_100000749847_100016991940 [0,0,0,1,0,1|2,0,0]=4 22839 B13R2.31 OC1CN(C1)Cc2ncccn2 269982a_100000749847_100000703007 [0,0,0,1,0,1|2,0,0]=4 22840 B13R2.31 O[C@H]1C[C@@H](C1)Nc2cccnn2 27a_100020629032_100016991348 [0,0,0,1,0,1|2,0,0]=4 22841 B13R2.31 O[C@H]1C[C@@H](C1)Nc2ccncn2 27a_100020629032_100000703185 [0,0,0,1,0,1|2,0,0]=4 22842 B13R2.31 O[C@H]1C[C@@H](C1)Nc2cnccn2 27a_100020629032_100000211759 [0,0,0,1,0,1|2,0,0]=4 22843 B13R2.31 O[C@H]1C[C@@H](C1)Nc2ncccn2 27a_100020629032_100000211032 [0,0,0,1,0,1|2,0,0]=4 22844 B13R2.31 [13CH3]N1CC(C1)Oc2ccccc2 269982a_100000751016_200025704644 [0,0,0,1,0,1|2,0,0]=4 22845 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,1,0,1|0,0,2]=4 22846 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [0,0,0,1,0,1|2,0,0]=4 22847 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [0,0,0,1,0,1|2,0,0]=4 22848 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,1,0,1|0,0,2]=4 22849 B13R2.163 CN1CCCc2ccccc2C1 2230a_100000059810_200000210301 [0,0,0,1,0,1|2,0,0]=4 22850 B13R2.163 CN1CCCc2ccccc2C1 269982a_100000059810_200000210301 [0,0,0,1,0,1|2,0,0]=4 22851 B13R2.163 CN1CCCc2ccccc2C1 34a_100000059810_200000210301 [0,0,0,1,0,1|2,0,0]=4 22852 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,0,0,1,0,1|2,0,0]=4 22853 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,0,0,1,0,1|2,0,0]=4 22854 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,0,0,1,0,1|2,0,0]=4 22855 B13R2.163 [13CH3]N1CCCc2ccccc2C1 2230a_100000059810_200025704644 [0,0,0,1,0,1|2,0,0]=4 22856 B13R2.163 [13CH3]N1CCCc2ccccc2C1 269982a_100000059810_200025704644 [0,0,0,1,0,1|2,0,0]=4 22857 B13R2.163 [13CH3]N1CCCc2ccccc2C1 34a_100000059810_200025704644 [0,0,0,1,0,1|2,0,0]=4 22858 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,0,0,1,0,1|2,0,0]=4 22859 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,0,0,1,0,1|2,0,0]=4 22860 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,0,0,1,0,1|2,0,0]=4 22861 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,1|0,0,2]=4 22862 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,1|0,0,2]=4 22863 B13R2.2382 c1cc(ccn1)CCOC2CC2 34a_100011216225_100000211595 [0,0,0,1,0,1|2,0,0]=4 22864 B13R2.2382 c1cc(ccn1)CCSC2CC2 62a_100000723409_100000211595 [0,0,0,1,0,1|2,0,0]=4 22865 B13R2.2382 c1cc(ccn1)CNCC2CC2 207a_100000735609_100000186114 [0,0,0,1,0,1|2,0,0]=4 22866 B13R2.2382 c1cc(ccn1)CNCC2CC2 2230a_100000735609_100015193705 [0,0,0,1,0,1|2,0,0]=4 22867 B13R2.2382 c1cc(ccn1)CNCC2CC2 269862a_100000210450_100000741477 [0,0,0,1,0,1|2,0,0]=4 22868 B13R2.2382 c1cc(ccn1)CSCC2CC2 62a_100000756562_100015193705 [0,0,0,1,0,1|2,0,0]=4 22869 B13R2.2382 c1cc(ccn1)CSCC2CC2 62a_100015193705_100000742324 [0,0,0,1,0,1|2,0,0]=4 22870 B13R2.2382 c1cc(ccn1)CSCC2CO2 62a_100015193705_102125554688 [0,0,0,1,0,1|1,0,0]=3 22871 B13R2.2382 c1cc(ccn1)CSCC2CO2 62a_102125554688_100015193705 [0,0,0,1,0,1|1,0,0]=3 22872 B13R2.2382 c1cc(ccn1)CSCC2CS2 62a_100000031435_100015193705 [0,0,0,1,0,1|1,1,0]=4 22873 B13R2.2382 c1cc(ccn1)CSCC2CS2 62a_100015193705_100000031435 [0,0,0,1,0,1|1,1,0]=4 22874 B13R2.2382 c1cc(ccn1)CSC[C@@H]2CO2 62a_100000745022_100015193705 [0,0,0,1,0,1|1,0,0]=3 22875 B13R2.2382 c1cc(ccn1)CSC[C@@H]2CO2 62a_100015193705_100000745022 [0,0,0,1,0,1|1,0,0]=3 22876 B13R2.2382 c1cc(ccn1)OCCC2CC2 34a_100000212176_100000694398 [0,0,0,1,0,1|2,0,0]=4 22877 B13R2.2382 c1cc(ccn1)OCCC2CO2 34a_100000212176_100000732470 [0,0,0,1,0,1|1,0,0]=3 22878 B13R2.2382 c1cc(ccn1)SCCC2CC2 62a_100000728582_100000764125 [0,0,0,1,0,1|2,0,0]=4 22879 B13R2.2382 c1cc(ccn1)SCCC2CC2 62a_100000764125_100000728582 [0,0,0,1,0,1|2,0,0]=4 22880 B13R2.2382 c1cc(ccn1)SCCC2CO2 62a_100000728582_100000732470 [0,0,0,1,0,1|1,0,0]=3 22881 B13R2.2382 c1cc(ccn1)SCCC2CO2 62a_100000732470_100000728582 [0,0,0,1,0,1|1,0,0]=3 22882 B13R2.2382 c1cc(cnn1)OCCC2CO2 34a_100015204005_100000732470 [0,0,0,1,0,1|2,0,0]=4 22883 B13R2.2382 c1cc(cnn1)SCCC2CO2 62a_100000732470_100000732662 [0,0,0,1,0,1|2,0,0]=4 22884 B13R2.2382 c1cc(cnn1)SCCC2CO2 62a_100000732662_100000732470 [0,0,0,1,0,1|2,0,0]=4 22885 B13R2.2382 c1cc(ncn1)SCCC2CO2 62a_100000703185_100000732470 [0,0,0,1,0,1|2,0,0]=4 22886 B13R2.2382 c1cc(ncn1)SCCC2CO2 62a_100000732470_100000703185 [0,0,0,1,0,1|2,0,0]=4 22887 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000106460_100000211595 [0,0,0,1,0,1|1,0,0]=3 22888 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000212008_100000765856 [0,0,0,1,0,1|1,0,0]=3 22889 B13R2.2382 c1ccc(cc1)CCOC2CC2 34a_100000210268_100000211595 [0,0,0,1,0,1|1,0,0]=3 22890 B13R2.2382 c1ccc(cc1)CCSC2CC2 62a_100000765856_100000211595 [0,0,0,1,0,1|1,0,0]=3 22891 B13R2.2382 c1ccc(cc1)CNCC2CC2 207a_100000735609_100015611070 [0,0,0,1,0,1|1,0,0]=3 22892 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100000735609_100015291786 [0,0,0,1,0,1|1,0,0]=3 22893 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100015324214_100000742324 [0,0,0,1,0,1|1,0,0]=3 22894 B13R2.2382 c1ccc(cc1)CNCC2CC2 269862a_100015324214_100000741477 [0,0,0,1,0,1|1,0,0]=3 22895 B13R2.2382 c1ccc(cc1)CNCC2CC2 270004a_100000735609_100015611070 [0,0,0,1,0,1|1,0,0]=3 22896 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100000735609_100015291786 [0,0,0,1,0,1|1,0,0]=3 22897 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100015324214_100000742324 [0,0,0,1,0,1|1,0,0]=3 22898 B13R2.2382 c1ccc(cc1)CNCC2CO2 2230a_100015324214_100011216344 [0,0,0,1,0,1|0,0,0]=2 22899 B13R2.2382 c1ccc(cc1)CNCC2CO2 34a_100015324214_102125554688 [0,0,0,1,0,1|0,0,0]=2 22900 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000210790_100000742324 [0,0,0,1,0,1|1,0,0]=3 22901 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000211283_100015291786 [0,0,0,1,0,1|1,0,0]=3 22902 B13R2.2382 c1ccc(cc1)COCC2CC2 7a_100000210790_100000742324 [0,0,0,1,0,1|1,0,0]=3 22903 B13R2.2382 c1ccc(cc1)COCC2CO2 34a_100000210790_102125554688 [0,0,0,1,0,1|0,0,0]=2 22904 B13R2.2382 c1ccc(cc1)COCC2CO2 7a_100000210790_102125554688 [0,0,0,1,0,1|0,0,0]=2 22905 B13R2.2382 c1ccc(cc1)COCC2CS2 7a_100000210790_100000031435 [0,0,0,1,0,1|0,1,0]=3 22906 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100015291786 [0,0,0,1,0,1|0,0,0]=2 22907 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 7a_100000210790_100000745022 [0,0,0,1,0,1|0,0,0]=2 22908 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000211182_100000742324 [0,0,0,1,0,1|1,0,0]=3 22909 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000756562_100015291786 [0,0,0,1,0,1|1,0,0]=3 22910 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_100000211182_102125554688 [0,0,0,1,0,1|0,0,0]=2 22911 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_102125554688_100015291786 [0,0,0,1,0,1|0,0,0]=2 22912 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000031435_100015291786 [0,0,0,1,0,1|0,1,0]=3 22913 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000211182_100000031435 [0,0,0,1,0,1|0,1,0]=3 22914 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000211182_100000745022 [0,0,0,1,0,1|0,0,0]=2 22915 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100015291786 [0,0,0,1,0,1|0,0,0]=2 22916 B13R2.2382 c1ccc(cc1)NCCC2CC2 34a_100000106764_100000694398 [0,0,0,1,0,1|1,0,0]=3 22917 B13R2.2382 c1ccc(cc1)NCCC2CO2 34a_100000106764_100000732470 [0,0,0,1,0,1|0,0,0]=2 22918 B13R2.2382 c1ccc(cc1)OCCC2CC2 34a_100000210340_100000694398 [0,0,0,1,0,1|1,0,0]=3 22919 B13R2.2382 c1ccc(cc1)OCCC2CC2 7a_100000210340_100000764125 [0,0,0,1,0,1|1,0,0]=3 22920 B13R2.2382 c1ccc(cc1)OCCC2CO2 34a_100000210340_100000732470 [0,0,0,1,0,1|0,0,0]=2 22921 B13R2.2382 c1ccc(cc1)OCCC2CO2 7a_100000210340_100000732470 [0,0,0,1,0,1|0,0,0]=2 22922 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000719477_100000764125 [0,0,0,1,0,1|1,0,0]=3 22923 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000764125_100000041952 [0,0,0,1,0,1|1,0,0]=3 22924 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000719477_100000732470 [0,0,0,1,0,1|0,0,0]=2 22925 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000732470_100000041952 [0,0,0,1,0,1|0,0,0]=2 22926 B13R2.2382 c1ccc(cc1)SCSC2CC2 62a_100011218342_100000211595 [0,0,0,1,0,1|2,0,0]=4 22927 B13R2.2382 c1ccc(nc1)CCOC2CC2 34a_100000210271_100000211595 [0,0,0,1,0,1|2,0,0]=4 22928 B13R2.2382 c1ccc(nc1)CCSC2CC2 62a_100015183660_100000211595 [0,0,0,1,0,1|2,0,0]=4 22929 B13R2.2382 c1ccc(nc1)CNCC2CC2 207a_100000735609_100000209966 [0,0,0,1,0,1|2,0,0]=4 22930 B13R2.2382 c1ccc(nc1)CNCC2CC2 2230a_100000735609_100000721315 [0,0,0,1,0,1|2,0,0]=4 22931 B13R2.2382 c1ccc(nc1)CNCC2CC2 270004a_100000735609_100000209966 [0,0,0,1,0,1|2,0,0]=4 22932 B13R2.2382 c1ccc(nc1)CNCC2CC2 34a_100000735609_100000721315 [0,0,0,1,0,1|2,0,0]=4 22933 B13R2.2382 c1ccc(nc1)COCC2CC2 34a_100000211283_100000721315 [0,0,0,1,0,1|2,0,0]=4 22934 B13R2.2382 c1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100000721315 [0,0,0,1,0,1|1,0,0]=3 22935 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000721315_100000742324 [0,0,0,1,0,1|2,0,0]=4 22936 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000756562_100000721315 [0,0,0,1,0,1|2,0,0]=4 22937 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_100000721315_102125554688 [0,0,0,1,0,1|1,0,0]=3 22938 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_102125554688_100000721315 [0,0,0,1,0,1|1,0,0]=3 22939 B13R2.2382 c1ccc(nc1)CSCC2CS2 62a_100000031435_100000721315 [0,0,0,1,0,1|1,1,0]=4 22940 B13R2.2382 c1ccc(nc1)CSCC2CS2 62a_100000721315_100000031435 [0,0,0,1,0,1|1,1,0]=4 22941 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000721315_100000745022 [0,0,0,1,0,1|1,0,0]=3 22942 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000721315 [0,0,0,1,0,1|1,0,0]=3 22943 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100000764125_100011216584 [0,0,0,1,0,1|2,0,0]=4 22944 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100011216584_100000764125 [0,0,0,1,0,1|2,0,0]=4 22945 B13R2.2382 c1ccc(nc1)SCCC2CO2 62a_100000732470_100011216584 [0,0,0,1,0,1|1,0,0]=3 22946 B13R2.2382 c1ccc(nc1)SCCC2CO2 62a_100011216584_100000732470 [0,0,0,1,0,1|1,0,0]=3 22947 B13R2.2382 c1cnc(cn1)COC[C@@H]2CO2 34a_100000757423_100016995436 [0,0,0,1,0,1|2,0,0]=4 22948 B13R2.2382 c1cnc(cn1)CSCC2CO2 62a_100016995436_102125554688 [0,0,0,1,0,1|2,0,0]=4 22949 B13R2.2382 c1cnc(cn1)CSCC2CO2 62a_102125554688_100016995436 [0,0,0,1,0,1|2,0,0]=4 22950 B13R2.2382 c1cnc(cn1)CSC[C@@H]2CO2 62a_100000745022_100016995436 [0,0,0,1,0,1|2,0,0]=4 22951 B13R2.2382 c1cnc(cn1)CSC[C@@H]2CO2 62a_100016995436_100000745022 [0,0,0,1,0,1|2,0,0]=4 22952 B13R2.2382 c1cnc(cn1)SCCC2CO2 62a_100000211759_100000732470 [0,0,0,1,0,1|2,0,0]=4 22953 B13R2.2382 c1cnc(cn1)SCCC2CO2 62a_100000732470_100000211759 [0,0,0,1,0,1|2,0,0]=4 22954 B13R2.2382 c1cnc(nc1)COC[C@@H]2CO2 34a_100000757423_100000703007 [0,0,0,1,0,1|2,0,0]=4 22955 B13R2.2382 c1cnc(nc1)CSCC2CO2 62a_100000703007_102125554688 [0,0,0,1,0,1|2,0,0]=4 22956 B13R2.2382 c1cnc(nc1)CSCC2CO2 62a_102125554688_100000703007 [0,0,0,1,0,1|2,0,0]=4 22957 B13R2.2382 c1cnc(nc1)CSC[C@@H]2CO2 62a_100000703007_100000745022 [0,0,0,1,0,1|2,0,0]=4 22958 B13R2.2382 c1cnc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000703007 [0,0,0,1,0,1|2,0,0]=4 22959 B13R2.2382 c1cnc(nc1)SCCC2CO2 62a_100000211032_100000732470 [0,0,0,1,0,1|2,0,0]=4 22960 B13R2.2382 c1cnc(nc1)SCCC2CO2 62a_100000732470_100000211032 [0,0,0,1,0,1|2,0,0]=4 22961 B13R2.2382 c1cncc(c1)CCOC2CC2 34a_100011217484_100000211595 [0,0,0,1,0,1|2,0,0]=4 22962 B13R2.2382 c1cncc(c1)CCSC2CC2 62a_200011713674_100000211595 [0,0,0,1,0,1|2,0,0]=4 22963 B13R2.2382 c1cncc(c1)CNCC2CC2 207a_100000735609_100000209961 [0,0,0,1,0,1|2,0,0]=4 22964 B13R2.2382 c1cncc(c1)CNCC2CC2 2230a_100000735609_100000741622 [0,0,0,1,0,1|2,0,0]=4 22965 B13R2.2382 c1cncc(c1)CNCC2CC2 269862a_100000210453_100000741477 [0,0,0,1,0,1|2,0,0]=4 22966 B13R2.2382 c1cncc(c1)CNCC2CC2 270004a_100000735609_100000209961 [0,0,0,1,0,1|2,0,0]=4 22967 B13R2.2382 c1cncc(c1)CNCC2CC2 34a_100000735609_100000733263 [0,0,0,1,0,1|2,0,0]=4 22968 B13R2.2382 c1cncc(c1)COCC2CC2 34a_100000211283_100000733263 [0,0,0,1,0,1|2,0,0]=4 22969 B13R2.2382 c1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000733263 [0,0,0,1,0,1|1,0,0]=3 22970 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000741622_100000742324 [0,0,0,1,0,1|2,0,0]=4 22971 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000756562_100000741622 [0,0,0,1,0,1|2,0,0]=4 22972 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_100000741622_102125554688 [0,0,0,1,0,1|1,0,0]=3 22973 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_102125554688_100000741622 [0,0,0,1,0,1|1,0,0]=3 22974 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000031435_100000741622 [0,0,0,1,0,1|1,1,0]=4 22975 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000741622_100000031435 [0,0,0,1,0,1|1,1,0]=4 22976 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000741622_100000745022 [0,0,0,1,0,1|1,0,0]=3 22977 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000741622 [0,0,0,1,0,1|1,0,0]=3 22978 B13R2.2382 c1cncc(c1)OCCC2CC2 34a_100000210849_100000694398 [0,0,0,1,0,1|2,0,0]=4 22979 B13R2.2382 c1cncc(c1)OCCC2CC2 7a_100000210849_100000764125 [0,0,0,1,0,1|2,0,0]=4 22980 B13R2.2382 c1cncc(c1)OCCC2CO2 34a_100000210849_100000732470 [0,0,0,1,0,1|1,0,0]=3 22981 B13R2.2382 c1cncc(c1)OCCC2CO2 7a_100000210849_100000732470 [0,0,0,1,0,1|1,0,0]=3 22982 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000210063_100000764125 [0,0,0,1,0,1|2,0,0]=4 22983 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000764125_100000210063 [0,0,0,1,0,1|2,0,0]=4 22984 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000210063_100000732470 [0,0,0,1,0,1|1,0,0]=3 22985 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000732470_100000210063 [0,0,0,1,0,1|1,0,0]=3 22986 B13R2.2382 c1cnnc(c1)CNCC2CO2 2230a_100159270163_100011216344 [0,0,0,1,0,1|2,0,0]=4 22987 B13R2.2382 c1cnnc(c1)COC[C@@H]2CO2 34a_100000757423_100016990269 [0,0,0,1,0,1|2,0,0]=4 22988 B13R2.2382 c1cnnc(c1)CSCC2CO2 62a_100016990269_102125554688 [0,0,0,1,0,1|2,0,0]=4 22989 B13R2.2382 c1cnnc(c1)CSCC2CO2 62a_102125554688_100016990269 [0,0,0,1,0,1|2,0,0]=4 22990 B13R2.2382 c1cnnc(c1)CSC[C@@H]2CO2 62a_100000745022_100016990269 [0,0,0,1,0,1|2,0,0]=4 22991 B13R2.2382 c1cnnc(c1)CSC[C@@H]2CO2 62a_100016990269_100000745022 [0,0,0,1,0,1|2,0,0]=4 22992 B13R2.2382 c1cnnc(c1)SCCC2CO2 62a_100000732470_100016991348 [0,0,0,1,0,1|2,0,0]=4 22993 B13R2.2382 c1cnnc(c1)SCCC2CO2 62a_100016991348_100000732470 [0,0,0,1,0,1|2,0,0]=4 22994 B13R2.2382 c1ncc(cn1)CNCC2CO2 2230a_100011243677_100011216344 [0,0,0,1,0,1|2,0,0]=4 22995 B13R2.2382 c1ncc(cn1)COC[C@@H]2CO2 34a_100000757423_100015196519 [0,0,0,1,0,1|2,0,0]=4 22996 B13R2.2382 c1ncc(cn1)CSCC2CO2 62a_100015196519_102125554688 [0,0,0,1,0,1|2,0,0]=4 22997 B13R2.2382 c1ncc(cn1)CSCC2CO2 62a_102125554688_100015196519 [0,0,0,1,0,1|2,0,0]=4 22998 B13R2.2382 c1ncc(cn1)CSC[C@@H]2CO2 62a_100000745022_100015196519 [0,0,0,1,0,1|2,0,0]=4 22999 B13R2.2382 c1ncc(cn1)CSC[C@@H]2CO2 62a_100015196519_100000745022 [0,0,0,1,0,1|2,0,0]=4 23000 B13R2.2382 c1ncc(cn1)OCCC2CO2 7a_100000754086_100000732470 [0,0,0,1,0,1|2,0,0]=4 23001 B13R2.2382 c1ncc(cn1)SCCC2CO2 62a_100000732470_100011206942 [0,0,0,1,0,1|2,0,0]=4 23002 B13R2.2382 c1ncc(cn1)SCCC2CO2 62a_100011206942_100000732470 [0,0,0,1,0,1|2,0,0]=4 23003 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100000210206_100009813401 [0,0,0,1,0,1|1,0,0]=3 23004 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100009813401_100000210206 [0,0,0,1,0,1|1,0,0]=3 23005 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,1,0,1,0,0|0,0,2]=4 23006 B13R2.147 OC1CN(C1)c2ccc(cn2)Br 27a_100000749847_100000686858 [0,1,0,1,0,0|2,0,0]=4 23007 B13R2.147 Oc1ccc(cc1)C2CC(C2)O 271570a_203496583355_200000751978 [0,1,0,1,0,0|0,0,0]=2 23008 B13R2.155 CC1CNc2ccc(cc2O1)O 271570a_203496583355_200010108538 [0,1,0,1,0,0|1,0,0]=3 23009 B13R2.155 CN1CCc2ccc(cc2C1)Br 2230a_100015189961_200000210301 [0,1,0,1,0,0|2,0,0]=4 23010 B13R2.155 CN1CCc2ccc(cc2C1)Br 269982a_100015189961_200000210301 [0,1,0,1,0,0|2,0,0]=4 23011 B13R2.155 CN1CCc2ccc(cc2C1)Br 34a_100015189961_200000210301 [0,1,0,1,0,0|2,0,0]=4 23012 B13R2.155 CN1CCc2ccc(cc2C1)Cl 2230a_100000690163_200000210301 [0,1,0,1,0,0|2,0,0]=4 23013 B13R2.155 CN1CCc2ccc(cc2C1)Cl 269982a_100000690163_200000210301 [0,1,0,1,0,0|2,0,0]=4 23014 B13R2.155 CN1CCc2ccc(cc2C1)Cl 34a_100000690163_200000210301 [0,1,0,1,0,0|2,0,0]=4 23015 B13R2.155 CN1CCc2ccc(cc2C1)F 2230a_100000755980_200000210301 [0,1,0,1,0,0|2,0,0]=4 23016 B13R2.155 CN1CCc2ccc(cc2C1)F 269982a_100000755980_200000210301 [0,1,0,1,0,0|2,0,0]=4 23017 B13R2.155 CN1CCc2ccc(cc2C1)F 34a_100000755980_200000210301 [0,1,0,1,0,0|2,0,0]=4 23018 B13R2.155 CN1CCc2ccc(cc2C1)O 2230a_100015185785_200000210301 [0,1,0,1,0,0|2,0,0]=4 23019 B13R2.155 CN1CCc2ccc(cc2C1)O 269982a_100015185785_200000210301 [0,1,0,1,0,0|2,0,0]=4 23020 B13R2.155 CN1CCc2ccc(cc2C1)O 271570a_203496583355_100010157284 [0,1,0,1,0,0|2,0,0]=4 23021 B13R2.155 CN1CCc2ccc(cc2C1)O 34a_100015185785_200000210301 [0,1,0,1,0,0|2,0,0]=4 23022 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 2230a_100011255368_200000210301 [0,1,0,1,0,0|2,0,0]=4 23023 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 269982a_100011255368_200000210301 [0,1,0,1,0,0|2,0,0]=4 23024 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 34a_100011255368_200000210301 [0,1,0,1,0,0|2,0,0]=4 23025 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 2230a_100011255368_200025704644 [0,1,0,1,0,0|2,0,0]=4 23026 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 269982a_100011255368_200025704644 [0,1,0,1,0,0|2,0,0]=4 23027 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 34a_100011255368_200025704644 [0,1,0,1,0,0|2,0,0]=4 23028 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,1,0,1,0,0|0,0,2]=4 23029 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 2230a_100015189961_200025704644 [0,1,0,1,0,0|2,0,0]=4 23030 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 269982a_100015189961_200025704644 [0,1,0,1,0,0|2,0,0]=4 23031 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 34a_100015189961_200025704644 [0,1,0,1,0,0|2,0,0]=4 23032 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 2230a_100000690163_200025704644 [0,1,0,1,0,0|2,0,0]=4 23033 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 269982a_100000690163_200025704644 [0,1,0,1,0,0|2,0,0]=4 23034 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 34a_100000690163_200025704644 [0,1,0,1,0,0|2,0,0]=4 23035 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 2230a_100000755980_200025704644 [0,1,0,1,0,0|2,0,0]=4 23036 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 269982a_100000755980_200025704644 [0,1,0,1,0,0|2,0,0]=4 23037 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 34a_100000755980_200025704644 [0,1,0,1,0,0|2,0,0]=4 23038 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 2230a_100015185785_200025704644 [0,1,0,1,0,0|2,0,0]=4 23039 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 269982a_100015185785_200025704644 [0,1,0,1,0,0|2,0,0]=4 23040 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 34a_100015185785_200025704644 [0,1,0,1,0,0|2,0,0]=4 23041 B13R2.527 Brc1ccc(cc1)CNC2CC2 34a_100000174875_100000211595 [0,1,0,1,0,0|2,0,0]=4 23042 B13R2.527 Brc1ccc(cc1)CNC2CC2 34a_100000212008_100000189115 [0,1,0,1,0,0|2,0,0]=4 23043 B13R2.527 Brc1ccc(cc1)COC2CC2 34a_100000695286_100000211595 [0,1,0,1,0,0|2,0,0]=4 23044 B13R2.527 Brc1ccc(cc1)CSC2CC2 62a_100000189115_100000211595 [0,1,0,1,0,0|2,0,0]=4 23045 B13R2.527 Brc1ccc(cc1)NCC2CC2 2230a_100000210018_100000742324 [0,1,0,1,0,0|2,0,0]=4 23046 B13R2.527 Brc1ccc(cc1)NCC2CC2 34a_100000210018_100000742324 [0,1,0,1,0,0|2,0,0]=4 23047 B13R2.527 Brc1ccc(cc1)NCC2CO2 2230a_100000210018_100011216344 [0,1,0,1,0,0|1,0,0]=3 23048 B13R2.527 Brc1ccc(cc1)NCC2CO2 34a_100000210018_102125554688 [0,1,0,1,0,0|1,0,0]=3 23049 B13R2.527 Brc1ccc(cc1)OCC2CC2 34a_100000185759_100000742324 [0,1,0,1,0,0|2,0,0]=4 23050 B13R2.527 Brc1ccc(cc1)OCC2CC2 7a_100000185759_100000742324 [0,1,0,1,0,0|2,0,0]=4 23051 B13R2.527 Brc1ccc(cc1)OCC2CO2 34a_100000185759_102125554688 [0,1,0,1,0,0|1,0,0]=3 23052 B13R2.527 Brc1ccc(cc1)OCC2CO2 7a_100000185759_102125554688 [0,1,0,1,0,0|1,0,0]=3 23053 B13R2.527 Brc1ccc(cc1)OCC2CS2 7a_100000185759_100000031435 [0,1,0,1,0,0|1,1,0]=4 23054 B13R2.527 Brc1ccc(cc1)OC[C@@H]2CO2 7a_100000185759_100000745022 [0,1,0,1,0,0|1,0,0]=3 23055 B13R2.527 Brc1ccc(cc1)SCC2CC2 62a_100000752885_100000742324 [0,1,0,1,0,0|2,0,0]=4 23056 B13R2.527 Brc1ccc(cc1)SCC2CC2 62a_100000756562_100000752885 [0,1,0,1,0,0|2,0,0]=4 23057 B13R2.527 Brc1ccc(cc1)SCC2CO2 62a_100000752885_102125554688 [0,1,0,1,0,0|1,0,0]=3 23058 B13R2.527 Brc1ccc(cc1)SCC2CO2 62a_102125554688_100000752885 [0,1,0,1,0,0|1,0,0]=3 23059 B13R2.527 Brc1ccc(cc1)SCC2CS2 62a_100000031435_100000752885 [0,1,0,1,0,0|1,1,0]=4 23060 B13R2.527 Brc1ccc(cc1)SCC2CS2 62a_100000752885_100000031435 [0,1,0,1,0,0|1,1,0]=4 23061 B13R2.527 Brc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000752885 [0,1,0,1,0,0|1,0,0]=3 23062 B13R2.527 Brc1ccc(cc1)SC[C@@H]2CO2 62a_100000752885_100000745022 [0,1,0,1,0,0|1,0,0]=3 23063 B13R2.527 Brc1ccc(cn1)OCC2CO2 34a_100000685995_102125554688 [0,1,0,1,0,0|2,0,0]=4 23064 B13R2.527 Brc1ccc(cn1)OCC2CO2 7a_100000685995_102125554688 [0,1,0,1,0,0|2,0,0]=4 23065 B13R2.527 Brc1ccc(cn1)OC[C@@H]2CO2 7a_100000685995_100000745022 [0,1,0,1,0,0|2,0,0]=4 23066 B13R2.527 Brc1ccc(cn1)SCC2CO2 62a_100009814638_102125554688 [0,1,0,1,0,0|2,0,0]=4 23067 B13R2.527 Brc1ccc(cn1)SCC2CO2 62a_102125554688_100009814638 [0,1,0,1,0,0|2,0,0]=4 23068 B13R2.527 Brc1ccc(cn1)SC[C@@H]2CO2 62a_100000745022_100009814638 [0,1,0,1,0,0|2,0,0]=4 23069 B13R2.527 Brc1ccc(cn1)SC[C@@H]2CO2 62a_100009814638_100000745022 [0,1,0,1,0,0|2,0,0]=4 23070 B13R2.527 Brc1ccc(nc1)SCC2CO2 62a_100000686858_102125554688 [0,1,0,1,0,0|2,0,0]=4 23071 B13R2.527 Brc1ccc(nc1)SCC2CO2 62a_102125554688_100000686858 [0,1,0,1,0,0|2,0,0]=4 23072 B13R2.527 Brc1ccc(nc1)SC[C@@H]2CO2 62a_100000686858_100000745022 [0,1,0,1,0,0|2,0,0]=4 23073 B13R2.527 Brc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000686858 [0,1,0,1,0,0|2,0,0]=4 23074 B13R2.527 Cc1ccc(cc1)CNC2CC2 34a_100000174908_100000211595 [0,1,0,1,0,0|2,0,0]=4 23075 B13R2.527 Cc1ccc(cc1)CNC2CC2 34a_100000212008_100000210814 [0,1,0,1,0,0|2,0,0]=4 23076 B13R2.527 Cc1ccc(cc1)COC2CC2 34a_100011215236_100000211595 [0,1,0,1,0,0|2,0,0]=4 23077 B13R2.527 Cc1ccc(cc1)CSC2CC2 62a_100000210814_100000211595 [0,1,0,1,0,0|2,0,0]=4 23078 B13R2.527 Cc1ccc(cc1)NCC2CC2 34a_100000124888_100000742324 [0,1,0,1,0,0|2,0,0]=4 23079 B13R2.527 Cc1ccc(cc1)NCC2CO2 34a_100000124888_102125554688 [0,1,0,1,0,0|1,0,0]=3 23080 B13R2.527 Cc1ccc(cc1)OCC2CC2 34a_100000210336_100000742324 [0,1,0,1,0,0|2,0,0]=4 23081 B13R2.527 Cc1ccc(cc1)OCC2CC2 7a_100000210336_100000742324 [0,1,0,1,0,0|2,0,0]=4 23082 B13R2.527 Cc1ccc(cc1)OCC2CO2 34a_100000210336_102125554688 [0,1,0,1,0,0|1,0,0]=3 23083 B13R2.527 Cc1ccc(cc1)OCC2CO2 7a_100000210336_102125554688 [0,1,0,1,0,0|1,0,0]=3 23084 B13R2.527 Cc1ccc(cc1)OCC2CS2 7a_100000210336_100000031435 [0,1,0,1,0,0|1,1,0]=4 23085 B13R2.527 Cc1ccc(cc1)OC[C@@H]2CO2 7a_100000210336_100000745022 [0,1,0,1,0,0|1,0,0]=3 23086 B13R2.527 Cc1ccc(cc1)SCC2CC2 62a_100000186775_100000742324 [0,1,0,1,0,0|2,0,0]=4 23087 B13R2.527 Cc1ccc(cc1)SCC2CC2 62a_100000756562_100000186775 [0,1,0,1,0,0|2,0,0]=4 23088 B13R2.527 Cc1ccc(cc1)SCC2CO2 62a_100000186775_102125554688 [0,1,0,1,0,0|1,0,0]=3 23089 B13R2.527 Cc1ccc(cc1)SCC2CO2 62a_102125554688_100000186775 [0,1,0,1,0,0|1,0,0]=3 23090 B13R2.527 Cc1ccc(cc1)SCC2CS2 62a_100000031435_100000186775 [0,1,0,1,0,0|1,1,0]=4 23091 B13R2.527 Cc1ccc(cc1)SCC2CS2 62a_100000186775_100000031435 [0,1,0,1,0,0|1,1,0]=4 23092 B13R2.527 Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000186775_100000745022 [0,1,0,1,0,0|1,0,0]=3 23093 B13R2.527 Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000186775 [0,1,0,1,0,0|1,0,0]=3 23094 B13R2.527 Cc1ccc(cn1)OCC2CO2 34a_100000745506_102125554688 [0,1,0,1,0,0|2,0,0]=4 23095 B13R2.527 Cc1ccc(cn1)OCC2CO2 7a_100000745506_102125554688 [0,1,0,1,0,0|2,0,0]=4 23096 B13R2.527 Cc1ccc(cn1)OC[C@@H]2CO2 7a_100000745506_100000745022 [0,1,0,1,0,0|2,0,0]=4 23097 B13R2.527 Cc1ccc(cn1)SCC2CO2 62a_100000751577_102125554688 [0,1,0,1,0,0|2,0,0]=4 23098 B13R2.527 Cc1ccc(cn1)SCC2CO2 62a_102125554688_100000751577 [0,1,0,1,0,0|2,0,0]=4 23099 B13R2.527 Cc1ccc(cn1)SC[C@@H]2CO2 62a_100000745022_100000751577 [0,1,0,1,0,0|2,0,0]=4 23100 B13R2.527 Cc1ccc(cn1)SC[C@@H]2CO2 62a_100000751577_100000745022 [0,1,0,1,0,0|2,0,0]=4 23101 B13R2.527 Cc1ccc(nc1)OCC2CO2 34a_100000759353_102125554688 [0,1,0,1,0,0|2,0,0]=4 23102 B13R2.527 Cc1ccc(nc1)SCC2CO2 62a_100011192072_102125554688 [0,1,0,1,0,0|2,0,0]=4 23103 B13R2.527 Cc1ccc(nc1)SCC2CO2 62a_102125554688_100000754016 [0,1,0,1,0,0|2,0,0]=4 23104 B13R2.527 Cc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000754016 [0,1,0,1,0,0|2,0,0]=4 23105 B13R2.527 Cc1ccc(nc1)SC[C@@H]2CO2 62a_100011192072_100000745022 [0,1,0,1,0,0|2,0,0]=4 23106 B13R2.527 Clc1ccc(cc1)CNC2CC2 34a_100000174871_100000211595 [0,1,0,1,0,0|2,0,0]=4 23107 B13R2.527 Clc1ccc(cc1)CNC2CC2 34a_100000212008_100000694040 [0,1,0,1,0,0|2,0,0]=4 23108 B13R2.527 Clc1ccc(cc1)COC2CC2 34a_100000211118_100000211595 [0,1,0,1,0,0|2,0,0]=4 23109 B13R2.527 Clc1ccc(cc1)CSC2CC2 62a_100000187161_100000211595 [0,1,0,1,0,0|2,0,0]=4 23110 B13R2.527 Clc1ccc(cc1)NCC2CC2 2230a_100000210052_100000742324 [0,1,0,1,0,0|2,0,0]=4 23111 B13R2.527 Clc1ccc(cc1)NCC2CC2 34a_100000210052_100000742324 [0,1,0,1,0,0|2,0,0]=4 23112 B13R2.527 Clc1ccc(cc1)NCC2CO2 2230a_100000210052_100011216344 [0,1,0,1,0,0|1,0,0]=3 23113 B13R2.527 Clc1ccc(cc1)NCC2CO2 34a_100000210052_102125554688 [0,1,0,1,0,0|1,0,0]=3 23114 B13R2.527 Clc1ccc(cc1)OCC2CC2 34a_100000210216_100000742324 [0,1,0,1,0,0|2,0,0]=4 23115 B13R2.527 Clc1ccc(cc1)OCC2CC2 7a_100000210216_100000742324 [0,1,0,1,0,0|2,0,0]=4 23116 B13R2.527 Clc1ccc(cc1)OCC2CO2 34a_100000210216_102125554688 [0,1,0,1,0,0|1,0,0]=3 23117 B13R2.527 Clc1ccc(cc1)OCC2CO2 7a_100000210216_102125554688 [0,1,0,1,0,0|1,0,0]=3 23118 B13R2.527 Clc1ccc(cc1)OCC2CS2 7a_100000210216_100000031435 [0,1,0,1,0,0|1,1,0]=4 23119 B13R2.527 Clc1ccc(cc1)OC[C@@H]2CO2 7a_100000210216_100000745022 [0,1,0,1,0,0|1,0,0]=3 23120 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000755918_100000742324 [0,1,0,1,0,0|2,0,0]=4 23121 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000756562_100000755918 [0,1,0,1,0,0|2,0,0]=4 23122 B13R2.527 Clc1ccc(cc1)SCC2CO2 62a_100000755918_102125554688 [0,1,0,1,0,0|1,0,0]=3 23123 B13R2.527 Clc1ccc(cc1)SCC2CO2 62a_102125554688_100000755918 [0,1,0,1,0,0|1,0,0]=3 23124 B13R2.527 Clc1ccc(cc1)SCC2CS2 62a_100000031435_100000755918 [0,1,0,1,0,0|1,1,0]=4 23125 B13R2.527 Clc1ccc(cc1)SCC2CS2 62a_100000755918_100000031435 [0,1,0,1,0,0|1,1,0]=4 23126 B13R2.527 Clc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000755918 [0,1,0,1,0,0|1,0,0]=3 23127 B13R2.527 Clc1ccc(cc1)SC[C@@H]2CO2 62a_100000755918_100000745022 [0,1,0,1,0,0|1,0,0]=3 23128 B13R2.527 Clc1ccc(cn1)OCC2CO2 34a_100000744096_102125554688 [0,1,0,1,0,0|2,0,0]=4 23129 B13R2.527 Clc1ccc(cn1)OCC2CO2 7a_100000744096_102125554688 [0,1,0,1,0,0|2,0,0]=4 23130 B13R2.527 Clc1ccc(cn1)OC[C@@H]2CO2 7a_100000744096_100000745022 [0,1,0,1,0,0|2,0,0]=4 23131 B13R2.527 Clc1ccc(cn1)SCC2CO2 62a_100000034144_102125554688 [0,1,0,1,0,0|2,0,0]=4 23132 B13R2.527 Clc1ccc(cn1)SCC2CO2 62a_102125554688_100000034144 [0,1,0,1,0,0|2,0,0]=4 23133 B13R2.527 Clc1ccc(cn1)SC[C@@H]2CO2 62a_100000034144_100000745022 [0,1,0,1,0,0|2,0,0]=4 23134 B13R2.527 Clc1ccc(cn1)SC[C@@H]2CO2 62a_100000745022_100000034144 [0,1,0,1,0,0|2,0,0]=4 23135 B13R2.527 Clc1ccc(nc1)OCC2CO2 34a_100011215309_102125554688 [0,1,0,1,0,0|2,0,0]=4 23136 B13R2.527 Clc1ccc(nc1)SCC2CO2 62a_100011356976_102125554688 [0,1,0,1,0,0|2,0,0]=4 23137 B13R2.527 Clc1ccc(nc1)SCC2CO2 62a_102125554688_100011356976 [0,1,0,1,0,0|2,0,0]=4 23138 B13R2.527 Clc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011356976 [0,1,0,1,0,0|2,0,0]=4 23139 B13R2.527 Clc1ccc(nc1)SC[C@@H]2CO2 62a_100011356976_100000745022 [0,1,0,1,0,0|2,0,0]=4 23140 B13R2.527 Fc1ccc(cc1)CNC2CC2 34a_100000174882_100000211595 [0,1,0,1,0,0|2,0,0]=4 23141 B13R2.527 Fc1ccc(cc1)CNC2CC2 34a_100000212008_100000198546 [0,1,0,1,0,0|2,0,0]=4 23142 B13R2.527 Fc1ccc(cc1)COC2CC2 34a_100000210977_100000211595 [0,1,0,1,0,0|2,0,0]=4 23143 B13R2.527 Fc1ccc(cc1)CSC2CC2 62a_100000198546_100000211595 [0,1,0,1,0,0|2,0,0]=4 23144 B13R2.527 Fc1ccc(cc1)NCC2CC2 34a_100000185862_100000742324 [0,1,0,1,0,0|2,0,0]=4 23145 B13R2.527 Fc1ccc(cc1)NCC2CO2 34a_100000185862_102125554688 [0,1,0,1,0,0|1,0,0]=3 23146 B13R2.527 Fc1ccc(cc1)OCC2CC2 34a_100000210339_100000742324 [0,1,0,1,0,0|2,0,0]=4 23147 B13R2.527 Fc1ccc(cc1)OCC2CO2 34a_100000210339_102125554688 [0,1,0,1,0,0|1,0,0]=3 23148 B13R2.527 Fc1ccc(cc1)SCC2CC2 62a_100000211213_100000742324 [0,1,0,1,0,0|2,0,0]=4 23149 B13R2.527 Fc1ccc(cc1)SCC2CC2 62a_100000756562_100000211213 [0,1,0,1,0,0|2,0,0]=4 23150 B13R2.527 Fc1ccc(cc1)SCC2CO2 62a_100000211213_102125554688 [0,1,0,1,0,0|1,0,0]=3 23151 B13R2.527 Fc1ccc(cc1)SCC2CO2 62a_102125554688_100000211213 [0,1,0,1,0,0|1,0,0]=3 23152 B13R2.527 Fc1ccc(cc1)SCC2CS2 62a_100000031435_100000211213 [0,1,0,1,0,0|1,1,0]=4 23153 B13R2.527 Fc1ccc(cc1)SCC2CS2 62a_100000211213_100000031435 [0,1,0,1,0,0|1,1,0]=4 23154 B13R2.527 Fc1ccc(cc1)SC[C@@H]2CO2 62a_100000211213_100000745022 [0,1,0,1,0,0|1,0,0]=3 23155 B13R2.527 Fc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000211213 [0,1,0,1,0,0|1,0,0]=3 23156 B13R2.527 Fc1ccc(cn1)OCC2CO2 34a_100000688820_102125554688 [0,1,0,1,0,0|2,0,0]=4 23157 B13R2.527 Fc1ccc(cn1)OCC2CO2 7a_100000688820_102125554688 [0,1,0,1,0,0|2,0,0]=4 23158 B13R2.527 Fc1ccc(cn1)OC[C@@H]2CO2 7a_100000688820_100000745022 [0,1,0,1,0,0|2,0,0]=4 23159 B13R2.527 Fc1ccc(cn1)SCC2CO2 62a_100000042367_102125554688 [0,1,0,1,0,0|2,0,0]=4 23160 B13R2.527 Fc1ccc(cn1)SCC2CO2 62a_102125554688_100000042367 [0,1,0,1,0,0|2,0,0]=4 23161 B13R2.527 Fc1ccc(cn1)SC[C@@H]2CO2 62a_100000042367_100000745022 [0,1,0,1,0,0|2,0,0]=4 23162 B13R2.527 Fc1ccc(cn1)SC[C@@H]2CO2 62a_100000745022_100000042367 [0,1,0,1,0,0|2,0,0]=4 23163 B13R2.527 Fc1ccc(nc1)OCC2CO2 34a_100000742473_102125554688 [0,1,0,1,0,0|2,0,0]=4 23164 B13R2.527 Fc1ccc(nc1)SCC2CO2 62a_100000744514_102125554688 [0,1,0,1,0,0|2,0,0]=4 23165 B13R2.527 Fc1ccc(nc1)SCC2CO2 62a_102125554688_100000744514 [0,1,0,1,0,0|2,0,0]=4 23166 B13R2.527 Fc1ccc(nc1)SC[C@@H]2CO2 62a_100000744514_100000745022 [0,1,0,1,0,0|2,0,0]=4 23167 B13R2.527 Fc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000744514 [0,1,0,1,0,0|2,0,0]=4 23168 B13R2.527 Ic1ccc(cc1)CNC2CC2 34a_100000212008_100000189116 [0,1,0,1,0,0|2,0,0]=4 23169 B13R2.527 Ic1ccc(cc1)CNC2CC2 34a_100016989417_100000211595 [0,1,0,1,0,0|2,0,0]=4 23170 B13R2.527 Ic1ccc(cc1)COC2CC2 34a_100000690907_100000211595 [0,1,0,1,0,0|2,0,0]=4 23171 B13R2.527 Ic1ccc(cc1)CSC2CC2 62a_100000189116_100000211595 [0,1,0,1,0,0|2,0,0]=4 23172 B13R2.527 Ic1ccc(cc1)NCC2CC2 34a_100000185761_100000742324 [0,1,0,1,0,0|2,0,0]=4 23173 B13R2.527 Ic1ccc(cc1)NCC2CO2 34a_100000185761_102125554688 [0,1,0,1,0,0|1,0,0]=3 23174 B13R2.527 Ic1ccc(cc1)OCC2CC2 34a_100000212066_100000742324 [0,1,0,1,0,0|2,0,0]=4 23175 B13R2.527 Ic1ccc(cc1)OCC2CC2 7a_100000212066_100000742324 [0,1,0,1,0,0|2,0,0]=4 23176 B13R2.527 Ic1ccc(cc1)OCC2CO2 34a_100000212066_102125554688 [0,1,0,1,0,0|1,0,0]=3 23177 B13R2.527 Ic1ccc(cc1)OCC2CO2 7a_100000212066_102125554688 [0,1,0,1,0,0|1,0,0]=3 23178 B13R2.527 Ic1ccc(cc1)OCC2CS2 7a_100000212066_100000031435 [0,1,0,1,0,0|1,1,0]=4 23179 B13R2.527 Ic1ccc(cc1)OC[C@@H]2CO2 7a_100000212066_100000745022 [0,1,0,1,0,0|1,0,0]=3 23180 B13R2.527 Ic1ccc(cn1)OCC2CO2 34a_100000687607_102125554688 [0,1,0,1,0,0|2,0,0]=4 23181 B13R2.527 Ic1ccc(cn1)OCC2CO2 7a_100000687607_102125554688 [0,1,0,1,0,0|2,0,0]=4 23182 B13R2.527 Ic1ccc(cn1)OC[C@@H]2CO2 7a_100000687607_100000745022 [0,1,0,1,0,0|2,0,0]=4 23183 B13R2.527 Nc1ccc(cc1)COC2CC2 34a_100011215238_100000211595 [0,1,0,1,0,0|2,0,0]=4 23184 B13R2.527 Nc1ccc(cc1)OCC2CC2 34a_100000185829_100000742324 [0,1,0,1,0,0|2,0,0]=4 23185 B13R2.527 Nc1ccc(cc1)OCC2CO2 34a_100000185829_102125554688 [0,1,0,1,0,0|1,0,0]=3 23186 B13R2.527 Nc1ccc(cc1)SCC2CC2 62a_100000185761_100000742324 [0,1,0,1,0,0|2,0,0]=4 23187 B13R2.527 Nc1ccc(cc1)SCC2CC2 62a_100000756562_100000185761 [0,1,0,1,0,0|2,0,0]=4 23188 B13R2.527 Nc1ccc(cc1)SCC2CO2 62a_100000185761_102125554688 [0,1,0,1,0,0|1,0,0]=3 23189 B13R2.527 Nc1ccc(cc1)SCC2CO2 62a_102125554688_100000185761 [0,1,0,1,0,0|1,0,0]=3 23190 B13R2.527 Nc1ccc(cc1)SCC2CS2 62a_100000031435_100000185761 [0,1,0,1,0,0|1,1,0]=4 23191 B13R2.527 Nc1ccc(cc1)SCC2CS2 62a_100000185761_100000031435 [0,1,0,1,0,0|1,1,0]=4 23192 B13R2.527 Nc1ccc(cc1)SC[C@@H]2CO2 62a_100000185761_100000745022 [0,1,0,1,0,0|1,0,0]=3 23193 B13R2.527 Nc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185761 [0,1,0,1,0,0|1,0,0]=3 23194 B13R2.527 Nc1ccc(cn1)OCC2CO2 34a_100015188713_102125554688 [0,1,0,1,0,0|2,0,0]=4 23195 B13R2.527 Nc1ccc(cn1)OCC2CO2 7a_100015188713_102125554688 [0,1,0,1,0,0|2,0,0]=4 23196 B13R2.527 Nc1ccc(cn1)OC[C@@H]2CO2 7a_100015188713_100000745022 [0,1,0,1,0,0|2,0,0]=4 23197 B13R2.527 Nc1ccc(cn1)SCC2CO2 62a_100000187370_102125554688 [0,1,0,1,0,0|2,0,0]=4 23198 B13R2.527 Nc1ccc(cn1)SCC2CO2 62a_102125554688_100000187370 [0,1,0,1,0,0|2,0,0]=4 23199 B13R2.527 Nc1ccc(cn1)SC[C@@H]2CO2 62a_100000187370_100000745022 [0,1,0,1,0,0|2,0,0]=4 23200 B13R2.527 Nc1ccc(cn1)SC[C@@H]2CO2 62a_100000745022_100000187370 [0,1,0,1,0,0|2,0,0]=4 23201 B13R2.527 Nc1ccc(nc1)OCC2CO2 34a_100000729260_102125554688 [0,1,0,1,0,0|2,0,0]=4 23202 B13R2.527 Nc1ccc(nc1)SCC2CO2 62a_100000737798_102125554688 [0,1,0,1,0,0|2,0,0]=4 23203 B13R2.527 Nc1ccc(nc1)SCC2CO2 62a_102125554688_100000737798 [0,1,0,1,0,0|2,0,0]=4 23204 B13R2.527 Nc1ccc(nc1)SC[C@@H]2CO2 62a_100000737798_100000745022 [0,1,0,1,0,0|2,0,0]=4 23205 B13R2.527 Nc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000737798 [0,1,0,1,0,0|2,0,0]=4 23206 B13R2.527 O=c1ccc(c[nH]1)OCC2CO2 34a_100000075641_102125554688 [0,1,0,1,0,0|2,0,0]=4 23207 B13R2.527 O=c1ccc(c[nH]1)SCC2CO2 62a_100000212171_102125554688 [0,1,0,1,0,0|2,0,0]=4 23208 B13R2.527 O=c1ccc(c[nH]1)SCC2CO2 62a_102125554688_100000212171 [0,1,0,1,0,0|2,0,0]=4 23209 B13R2.527 O=c1ccc(c[nH]1)SC[C@@H]2CO2 62a_100000212171_100000745022 [0,1,0,1,0,0|2,0,0]=4 23210 B13R2.527 O=c1ccc(c[nH]1)SC[C@@H]2CO2 62a_100000745022_100000212171 [0,1,0,1,0,0|2,0,0]=4 23211 B13R2.527 Oc1ccc(cc1)CNC2CC2 271570a_203496583355_100015184634 [0,1,0,1,0,0|2,0,0]=4 23212 B13R2.527 Oc1ccc(cc1)CNC2CC2 34a_100000185549_100000211595 [0,1,0,1,0,0|2,0,0]=4 23213 B13R2.527 Oc1ccc(cc1)NCC2CC2 34a_100000185829_100000742324 [0,1,0,1,0,0|2,0,0]=4 23214 B13R2.527 Oc1ccc(cc1)NCC2CO2 34a_100000185829_102125554688 [0,1,0,1,0,0|1,0,0]=3 23215 B13R2.527 Oc1ccc(cc1)OCC2CC2 271570a_203496583355_100011316336 [0,1,0,1,0,0|2,0,0]=4 23216 B13R2.527 Oc1ccc(cc1)SCC2CC2 62a_100000756562_100000185759 [0,1,0,1,0,0|2,0,0]=4 23217 B13R2.527 Oc1ccc(cc1)SCC2CO2 62a_102125554688_100000185759 [0,1,0,1,0,0|1,0,0]=3 23218 B13R2.527 Oc1ccc(cc1)SCC2CS2 62a_100000031435_100000185759 [0,1,0,1,0,0|1,1,0]=4 23219 B13R2.527 Oc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185759 [0,1,0,1,0,0|1,0,0]=3 23220 B13R2.527 Oc1ccc(nc1)SCC2CO2 62a_100000685995_102125554688 [0,1,0,1,0,0|2,0,0]=4 23221 B13R2.527 Oc1ccc(nc1)SCC2CO2 62a_102125554688_100000744096 [0,1,0,1,0,0|2,0,0]=4 23222 B13R2.527 Oc1ccc(nc1)SC[C@@H]2CO2 62a_100000685995_100000745022 [0,1,0,1,0,0|2,0,0]=4 23223 B13R2.527 Oc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100000744096 [0,1,0,1,0,0|2,0,0]=4 23224 B13R2.527 [O-][n+]1ccc(cc1)SCC2CO2 62a_102125554688_100000039755 [0,1,0,1,0,0|2,0,0]=4 23225 B13R2.527 [O-][n+]1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000039755 [0,1,0,1,0,0|2,0,0]=4 23226 B13R2.2988 Oc1ccc(cc1)C2CC2(F)F 271570a_203496583355_100010729999 [0,1,0,1,0,0|2,0,0]=4 23227 B13R2.3791 CC1(CNc2c1cc(cc2)O)C 271570a_203496583355_100000756796 [0,1,0,1,0,0|2,0,0]=4 23228 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,1,0,1,0,0|2,0,0]=4 23229 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,1,0,1,0,0|2,0,0]=4 23230 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 23231 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 23232 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 23233 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 23234 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 23235 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 23236 B13R2.33 CN1CCc2ccccc2CC1 2230a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 23237 B13R2.33 CN1CCc2ccccc2CC1 269982a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 23238 B13R2.33 CN1CCc2ccccc2CC1 34a_100000044199_200000210301 [0,1,0,1,0,0|2,0,0]=4 23239 B13R2.33 [13CH3]N1CCc2ccccc2CC1 2230a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 23240 B13R2.33 [13CH3]N1CCc2ccccc2CC1 269982a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 23241 B13R2.33 [13CH3]N1CCc2ccccc2CC1 34a_100000044199_200025704644 [0,1,0,1,0,0|2,0,0]=4 23242 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,1,0,1,0,0|2,0,0]=4 23243 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,1,0,1,0,0|2,0,0]=4 23244 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,1,0,1,0,0|2,0,0]=4 23245 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100015361967 [0,1,0,1,0,0|2,0,0]=4 23246 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015361967 [0,1,0,1,0,0|2,0,0]=4 23247 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,1,0,1,0,0|1,0,0]=3 23248 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,1,0,1,0,0|1,0,0]=3 23249 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,1,0,1,0,0|1,0,0]=3 23250 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,1,0,1,0,0|2,0,0]=4 23251 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,1,0,1,0,0|2,0,0]=4 23252 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,1,0,1,0,0|2,0,0]=4 23253 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,1,0,1,0,0|1,0,0]=3 23254 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,1,0,1,0,0|1,0,0]=3 23255 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,1,0,1,0,0|1,0,0]=3 23256 B13R2.57 CNC1COc2ccccc2C1 2230a_100000739546_200000210301 [0,1,0,1,0,0|2,0,0]=4 23257 B13R2.57 CNC1COc2ccccc2C1 270004a_106832991635_100000048293 [0,1,0,1,0,0|2,0,0]=4 23258 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,1,0,1,0,0|0,0,0]=2 23259 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,1,0,1,0,0|0,0,0]=2 23260 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [0,1,0,1,0,0|1,0,0]=3 23261 B13R2.57 FCN1CCc2ccccc2C1 269982a_100000188457_100015361967 [0,1,0,1,0,0|2,0,0]=4 23262 B13R2.57 FCN1CCc2ccccc2C1 34a_100000188457_100015361967 [0,1,0,1,0,0|2,0,0]=4 23263 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,1,0,1,0,0|1,0,0]=3 23264 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,1,0,1,0,0|1,0,0]=3 23265 B13R2.57 [13CH3]NC1COc2ccccc2C1 2230a_100000739546_200025704644 [0,1,0,1,0,0|2,0,0]=4 23266 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,1,0,1,0,0|0,0,0]=2 23267 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,1,0,1,0,0|0,0,0]=2 23268 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [0,1,0,1,0,0|1,0,0]=3 23269 B13R2.2383 c1cc(ccn1)CNC2COC2 207a_100016991112_100000186114 [0,1,0,1,0,0|2,0,0]=4 23270 B13R2.2383 c1cc(ccn1)CNC2COC2 2230a_100016991112_100015193705 [0,1,0,1,0,0|2,0,0]=4 23271 B13R2.2383 c1cc(ccn1)CSC2COC2 62a_100015193705_100009818527 [0,1,0,1,0,0|2,0,0]=4 23272 B13R2.2383 c1cc(ccn1)OCC2CCO2 34a_100000212176_100000103362 [0,1,0,1,0,0|2,0,0]=4 23273 B13R2.2383 c1cc(ccn1)OCC2COC2 34a_100000212176_100010264016 [0,1,0,1,0,0|2,0,0]=4 23274 B13R2.2383 c1cc(ccn1)SCC2CCO2 62a_100000103362_100000728582 [0,1,0,1,0,0|2,0,0]=4 23275 B13R2.2383 c1cc(ccn1)SCC2CCO2 62a_100000728582_100000103362 [0,1,0,1,0,0|2,0,0]=4 23276 B13R2.2383 c1cc(ccn1)SCC2COC2 62a_100000728582_100010264016 [0,1,0,1,0,0|2,0,0]=4 23277 B13R2.2383 c1cc(ccn1)SCC2COC2 62a_100010264016_100000728582 [0,1,0,1,0,0|2,0,0]=4 23278 B13R2.2383 c1ccc(cc1)CCN2CCC2 269982a_100000754969_100000765856 [0,1,0,1,0,0|2,0,0]=4 23279 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,1,0,1,0,0|2,0,0]=4 23280 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,1,0,1,0,0|2,0,0]=4 23281 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,1,0,1,0,0|2,0,0]=4 23282 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,1,0,1,0,0|2,0,0]=4 23283 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,1,0,1,0,0|1,0,0]=3 23284 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,1,0,1,0,0|1,0,0]=3 23285 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,1,0,1,0,0|1,0,0]=3 23286 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,1,0,1,0,0|1,0,0]=3 23287 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,1,0,1,0,0|1,1,0]=4 23288 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,1,0,1,0,0|1,1,0]=4 23289 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,1,0,1,0,0|2,0,0]=4 23290 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,1,0,1,0,0|2,0,0]=4 23291 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [0,1,0,1,0,0|1,0,0]=3 23292 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [0,1,0,1,0,0|1,0,0]=3 23293 B13R2.2383 c1ccc(cc1)COC2CSC2 7a_100000072292_100000211182 [0,1,0,1,0,0|1,1,0]=4 23294 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,1,0,1,0,0|2,0,0]=4 23295 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [0,1,0,1,0,0|1,0,0]=3 23296 B13R2.2383 c1ccc(cc1)NCC2CCC2 34a_100000106764_100000763275 [0,1,0,1,0,0|2,0,0]=4 23297 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [0,1,0,1,0,0|1,0,0]=3 23298 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [0,1,0,1,0,0|1,0,0]=3 23299 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [0,1,0,1,0,0|2,0,0]=4 23300 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [0,1,0,1,0,0|2,0,0]=4 23301 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,1,0,1,0,0|1,0,0]=3 23302 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,1,0,1,0,0|1,0,0]=3 23303 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,1,0,1,0,0|1,0,0]=3 23304 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,1,0,1,0,0|1,0,0]=3 23305 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000719477_100000763275 [0,1,0,1,0,0|2,0,0]=4 23306 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000763275_100000041952 [0,1,0,1,0,0|2,0,0]=4 23307 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [0,1,0,1,0,0|1,0,0]=3 23308 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [0,1,0,1,0,0|1,0,0]=3 23309 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [0,1,0,1,0,0|1,0,0]=3 23310 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [0,1,0,1,0,0|1,0,0]=3 23311 B13R2.2383 c1ccc(nc1)CNC2COC2 207a_100016991112_100000209966 [0,1,0,1,0,0|2,0,0]=4 23312 B13R2.2383 c1ccc(nc1)CNC2COC2 2230a_100016991112_100000721315 [0,1,0,1,0,0|2,0,0]=4 23313 B13R2.2383 c1ccc(nc1)CNC2COC2 270004a_100016991112_100000209966 [0,1,0,1,0,0|2,0,0]=4 23314 B13R2.2383 c1ccc(nc1)CSC2COC2 62a_100000721315_100009818527 [0,1,0,1,0,0|2,0,0]=4 23315 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100000103362_100011216584 [0,1,0,1,0,0|2,0,0]=4 23316 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100011216584_100000103362 [0,1,0,1,0,0|2,0,0]=4 23317 B13R2.2383 c1ccc(nc1)SCC2COC2 62a_100010264016_100011216584 [0,1,0,1,0,0|2,0,0]=4 23318 B13R2.2383 c1ccc(nc1)SCC2COC2 62a_100011216584_100010264016 [0,1,0,1,0,0|2,0,0]=4 23319 B13R2.2383 c1cncc(c1)CNC2COC2 207a_100016991112_100000209961 [0,1,0,1,0,0|2,0,0]=4 23320 B13R2.2383 c1cncc(c1)CNC2COC2 2230a_100016991112_100000741622 [0,1,0,1,0,0|2,0,0]=4 23321 B13R2.2383 c1cncc(c1)CNC2COC2 270004a_100016991112_100000209961 [0,1,0,1,0,0|2,0,0]=4 23322 B13R2.2383 c1cncc(c1)CSC2COC2 62a_100000741622_100009818527 [0,1,0,1,0,0|2,0,0]=4 23323 B13R2.2383 c1cncc(c1)OCC2CCO2 34a_100000210849_100000103362 [0,1,0,1,0,0|2,0,0]=4 23324 B13R2.2383 c1cncc(c1)OCC2CCO2 7a_100000210849_100000103362 [0,1,0,1,0,0|2,0,0]=4 23325 B13R2.2383 c1cncc(c1)OCC2COC2 34a_100000210849_100010264016 [0,1,0,1,0,0|2,0,0]=4 23326 B13R2.2383 c1cncc(c1)OCC2COC2 7a_100000210849_100010264016 [0,1,0,1,0,0|2,0,0]=4 23327 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000103362_100000210063 [0,1,0,1,0,0|2,0,0]=4 23328 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000210063_100000103362 [0,1,0,1,0,0|2,0,0]=4 23329 B13R2.2383 c1cncc(c1)SCC2COC2 62a_100000210063_100010264016 [0,1,0,1,0,0|2,0,0]=4 23330 B13R2.2383 c1cncc(c1)SCC2COC2 62a_100010264016_100000210063 [0,1,0,1,0,0|2,0,0]=4 23331 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,1,0,1,0,0|0,0,0]=2 23332 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,1,0,1,0,0|0,0,0]=2 23333 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,1,0,1,0,0|0,0,0]=2 23334 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,1,0,1,0,0|0,0,0]=2 23335 B13R2.3203 CC1(CC1)NCc2ccccc2 207a_100000757604_100015611070 [0,1,0,1,0,0|2,0,0]=4 23336 B13R2.3203 CC1(CC1)NCc2ccccc2 2230a_100000757604_100015291786 [0,1,0,1,0,0|2,0,0]=4 23337 B13R2.3203 CC1(CC1)OCc2ccccc2 7a_100011725673_100000211182 [0,1,0,1,0,0|2,0,0]=4 23338 B13R2.3203 CC1(CO1)CNc2ccccc2 34a_100000106764_100000760498 [0,1,0,1,0,0|1,0,0]=3 23339 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [0,1,0,1,0,0|1,0,0]=3 23340 B13R2.3203 CC1(CO1)COc2cccnc2 34a_100000210849_100000760498 [0,1,0,1,0,0|2,0,0]=4 23341 B13R2.3203 CC1(CO1)COc2ccncc2 34a_100000212176_100000760498 [0,1,0,1,0,0|2,0,0]=4 23342 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000719477_100000760498 [0,1,0,1,0,0|1,0,0]=3 23343 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000760498_100000041952 [0,1,0,1,0,0|1,0,0]=3 23344 B13R2.3203 CC1(CO1)CSc2ccccn2 62a_100000760498_100011216584 [0,1,0,1,0,0|2,0,0]=4 23345 B13R2.3203 CC1(CO1)CSc2ccccn2 62a_100011216584_100000760498 [0,1,0,1,0,0|2,0,0]=4 23346 B13R2.3203 CC1(CO1)CSc2cccnc2 62a_100000210063_100000760498 [0,1,0,1,0,0|2,0,0]=4 23347 B13R2.3203 CC1(CO1)CSc2cccnc2 62a_100000760498_100000210063 [0,1,0,1,0,0|2,0,0]=4 23348 B13R2.3203 CC1(CO1)CSc2ccncc2 62a_100000728582_100000760498 [0,1,0,1,0,0|2,0,0]=4 23349 B13R2.3203 CC1(CO1)CSc2ccncc2 62a_100000760498_100000728582 [0,1,0,1,0,0|2,0,0]=4 23350 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,1,0,1,0,0|0,0,2]=4 23351 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [0,1,0,1,0,0|2,0,0]=4 23352 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,1,0,1,0,0|0,0,2]=4 23353 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,1,0,1,0,0|0,0,2]=4 23354 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,1,0,1,0,0|0,0,2]=4 23355 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,1,0,1,0,0|0,0,2]=4 23356 B13R2.15272 O=C(CF)C1Cc2c1cccc2 1458a_200000238571_100015361967 [0,1,0,1,0,0|0,0,2]=4 23357 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,1,0,1,0,0|0,0,2]=4 23358 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,1,0,1,0,0|0,0,2]=4 23359 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,1,0,1,0,0|0,0,2]=4 23360 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,1,0,1,0,0|0,0,2]=4 23361 B13R2.435 CC(C)N1Cc2ccccc2C1 2230a_100000752595_100000210206 [0,1,0,1,0,0|2,0,0]=4 23362 B13R2.435 CC(C)N1Cc2ccccc2C1 269982a_100000752595_100000210206 [0,1,0,1,0,0|2,0,0]=4 23363 B13R2.435 CC(C)N1Cc2ccccc2C1 34a_100000752595_100000210206 [0,1,0,1,0,0|2,0,0]=4 23364 B13R2.435 CN(C)C1Cc2ccccc2C1 2230a_100016990990_200000210301 [0,1,0,1,0,0|2,0,0]=4 23365 B13R2.435 CN(C)C1Cc2ccccc2C1 269982a_100016990990_200000210301 [0,1,0,1,0,0|2,0,0]=4 23366 B13R2.435 CN(C)C1Cc2ccccc2C1 269982a_100102631434_100000753484 [0,1,0,1,0,0|2,0,0]=4 23367 B13R2.435 CN(C)C1Cc2ccccc2C1 34a_100016990990_200000210301 [0,1,0,1,0,0|2,0,0]=4 23368 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 2230a_100016990990_200025704644 [0,1,0,1,0,0|2,0,0]=4 23369 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 269982a_100016990990_200025704644 [0,1,0,1,0,0|2,0,0]=4 23370 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 34a_100016990990_200025704644 [0,1,0,1,0,0|2,0,0]=4 23371 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,1,0,1,0,0|0,0,2]=4 23372 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,1,0,1,0,0|0,0,2]=4 23373 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,1,0,1,0,0|0,0,2]=4 23374 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000226674_100015291786 [0,1,0,1,0,0|2,0,0]=4 23375 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 23376 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000186898_100000211595 [0,1,0,1,0,0|2,0,0]=4 23377 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000226674_100000211182 [0,1,0,1,0,0|2,0,0]=4 23378 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 23379 B13R2.444 CN(Cc1ccccc1)C2CC2 270004a_100000226674_100015611070 [0,1,0,1,0,0|2,0,0]=4 23380 B13R2.444 CN(Cc1ccccc1)C2CC2 34a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 23381 B13R2.444 O=C(Cc1ccccc1)C2CC2 1458a_100000210395_100015291786 [0,1,0,1,0,0|1,0,1]=4 23382 B13R2.444 O=C(Cc1ccccc1)C2CO2 1458a_100000701028_100015291786 [0,1,0,1,0,0|0,0,1]=3 23383 B13R2.444 O=C(Cc1ccccn1)C2CO2 1458a_100000701028_100000721315 [0,1,0,1,0,0|1,0,1]=4 23384 B13R2.444 O=C(Cc1cccnc1)C2CO2 1458a_100000701028_100000733263 [0,1,0,1,0,0|1,0,1]=4 23385 B13R2.444 O=C(Cc1ccncc1)C2CO2 1458a_100000701028_100000705612 [0,1,0,1,0,0|1,0,1]=4 23386 B13R2.444 O=C(Nc1ccccc1)C2CO2 11a_100000106764_100000701028 [0,1,0,1,0,0|1,0,1]=4 23387 B13R2.444 O=C(Nc1ccccc1)C2CO2 1626a_100000106764_100000701028 [0,1,0,1,0,0|1,0,1]=4 23388 B13R2.444 O=C(Nc1ccccc1)C2CO2 22a_100000106764_100000701028 [0,1,0,1,0,0|1,0,1]=4 23389 B13R2.444 O=C(Nc1ccccc1)C2CO2 527a_100000106764_100000701028 [0,1,0,1,0,0|1,0,1]=4 23390 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 2230a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 23391 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 269982a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 23392 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 34a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 23393 B13R2.238 CN1CC(C1)(O)c2ccccc2 2230a_100000717221_200000210301 [0,1,0,1,0,0|2,0,0]=4 23394 B13R2.238 CN1CC(C1)(O)c2ccccc2 269982a_100000717221_200000210301 [0,1,0,1,0,0|2,0,0]=4 23395 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 2230a_100000717221_200025704644 [0,1,0,1,0,0|2,0,0]=4 23396 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 269982a_100000717221_200025704644 [0,1,0,1,0,0|2,0,0]=4 23397 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 23398 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 23399 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 23400 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 23401 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 23402 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 23403 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,1,0,1,0,0|2,0,0]=4 23404 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,1,0,1,0,0|2,0,0]=4 23405 B13R2.690 CN(CC1CC1)c2ccccc2 2230a_100000210012_100000742324 [0,1,0,1,0,0|2,0,0]=4 23406 B13R2.690 CN(CC1CC1)c2ccccc2 269982a_100000210012_100000756562 [0,1,0,1,0,0|2,0,0]=4 23407 B13R2.690 CN(CC1CC1)c2ccccc2 34a_100000210012_100000742324 [0,1,0,1,0,0|2,0,0]=4 23408 B13R2.690 CN(CC1CO1)c2ccccc2 2230a_100000210012_100011216344 [0,1,0,1,0,0|1,0,0]=3 23409 B13R2.690 CN(CC1CO1)c2ccccc2 269982a_100000210012_102125554688 [0,1,0,1,0,0|1,0,0]=3 23410 B13R2.690 CN(CC1CO1)c2ccccc2 34a_100000210012_102125554688 [0,1,0,1,0,0|1,0,0]=3 23411 B13R2.690 CN(CC1CS1)c2ccccc2 269982a_100000210012_100000031435 [0,1,0,1,0,0|1,1,0]=4 23412 B13R2.690 CN(C[C@@H]1CO1)c2ccccc2 269982a_100000210012_100000745022 [0,1,0,1,0,0|1,0,0]=3 23413 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,1,0,1,0,0|2,0,0]=4 23414 B13R2.690 O=C(CC1CC1)c2ccccc2 1458a_100000185807_100000742324 [0,1,0,1,0,0|1,0,1]=4 23415 B13R2.690 O=C(CC1CO1)c2ccccc2 1458a_100000185807_100011216344 [0,1,0,1,0,0|0,0,1]=3 23416 B13R2.690 O=C(CC1CS1)c2ccccc2 1458a_100000185807_100000031435 [0,1,0,1,0,0|0,1,1]=4 23417 B13R2.690 O=C(C[C@@H]1CO1)c2ccccc2 1458a_100000185807_100000745022 [0,1,0,1,0,0|0,0,1]=3 23418 B13R2.216 Cc1cnccc1N2CC(C2)O 27a_100000749847_100000765111 [0,1,0,1,0,0|2,0,0]=4 23419 B13R2.216 OC1CN(C1)c2ccncc2Br 27a_100000749847_100000726257 [0,1,0,1,0,0|2,0,0]=4 23420 B13R2.216 OC1CN(C1)c2ccncc2F 27a_100000749847_100000035921 [0,1,0,1,0,0|2,0,0]=4 23421 B13R2.216 OC1CN(C1)c2ncccc2Br 27a_100000749847_100000696092 [0,1,0,1,0,0|2,0,0]=4 23422 B13R2.3587 Brc1ccccc1CNC2CC2 34a_100000212008_100000184730 [0,1,0,1,0,0|2,0,0]=4 23423 B13R2.3587 Brc1ccccc1CNC2CC2 34a_100000689332_100000211595 [0,1,0,1,0,0|2,0,0]=4 23424 B13R2.3587 Brc1ccccc1COC2CC2 34a_100000756307_100000211595 [0,1,0,1,0,0|2,0,0]=4 23425 B13R2.3587 Brc1ccccc1CSC2CC2 62a_100000184730_100000211595 [0,1,0,1,0,0|2,0,0]=4 23426 B13R2.3587 Brc1ccccc1NCC2CC2 34a_100000210017_100000742324 [0,1,0,1,0,0|2,0,0]=4 23427 B13R2.3587 Brc1ccccc1NCC2CO2 34a_100000210017_102125554688 [0,1,0,1,0,0|1,0,0]=3 23428 B13R2.3587 Brc1ccccc1OCC2CC2 34a_100000181306_100000742324 [0,1,0,1,0,0|2,0,0]=4 23429 B13R2.3587 Brc1ccccc1OCC2CC2 7a_100000181306_100000742324 [0,1,0,1,0,0|2,0,0]=4 23430 B13R2.3587 Brc1ccccc1OCC2CO2 34a_100000181306_102125554688 [0,1,0,1,0,0|1,0,0]=3 23431 B13R2.3587 Brc1ccccc1OCC2CO2 7a_100000181306_102125554688 [0,1,0,1,0,0|1,0,0]=3 23432 B13R2.3587 Brc1ccccc1OCC2CS2 7a_100000181306_100000031435 [0,1,0,1,0,0|1,1,0]=4 23433 B13R2.3587 Brc1ccccc1OC[C@@H]2CO2 7a_100000181306_100000745022 [0,1,0,1,0,0|1,0,0]=3 23434 B13R2.3587 Brc1ccccc1SCC2CC2 62a_100000695589_100000742324 [0,1,0,1,0,0|2,0,0]=4 23435 B13R2.3587 Brc1ccccc1SCC2CC2 62a_100000756562_100000695589 [0,1,0,1,0,0|2,0,0]=4 23436 B13R2.3587 Brc1ccccc1SCC2CO2 62a_100000695589_102125554688 [0,1,0,1,0,0|1,0,0]=3 23437 B13R2.3587 Brc1ccccc1SCC2CO2 62a_102125554688_100000695589 [0,1,0,1,0,0|1,0,0]=3 23438 B13R2.3587 Brc1ccccc1SCC2CS2 62a_100000031435_100000695589 [0,1,0,1,0,0|1,1,0]=4 23439 B13R2.3587 Brc1ccccc1SCC2CS2 62a_100000695589_100000031435 [0,1,0,1,0,0|1,1,0]=4 23440 B13R2.3587 Brc1ccccc1SC[C@@H]2CO2 62a_100000695589_100000745022 [0,1,0,1,0,0|1,0,0]=3 23441 B13R2.3587 Brc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000695589 [0,1,0,1,0,0|1,0,0]=3 23442 B13R2.3587 Brc1cccnc1SCC2CO2 62a_100000696092_102125554688 [0,1,0,1,0,0|2,0,0]=4 23443 B13R2.3587 Brc1cccnc1SCC2CO2 62a_102125554688_100000696092 [0,1,0,1,0,0|2,0,0]=4 23444 B13R2.3587 Brc1cccnc1SC[C@@H]2CO2 62a_100000696092_100000745022 [0,1,0,1,0,0|2,0,0]=4 23445 B13R2.3587 Brc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000696092 [0,1,0,1,0,0|2,0,0]=4 23446 B13R2.3587 Brc1ccncc1SCC2CO2 62a_100010138639_102125554688 [0,1,0,1,0,0|2,0,0]=4 23447 B13R2.3587 Brc1ccncc1SCC2CO2 62a_102125554688_100010138639 [0,1,0,1,0,0|2,0,0]=4 23448 B13R2.3587 Brc1ccncc1SC[C@@H]2CO2 62a_100000745022_100010138639 [0,1,0,1,0,0|2,0,0]=4 23449 B13R2.3587 Brc1ccncc1SC[C@@H]2CO2 62a_100010138639_100000745022 [0,1,0,1,0,0|2,0,0]=4 23450 B13R2.3587 Brc1cnccc1OCC2CO2 34a_100011996408_102125554688 [0,1,0,1,0,0|2,0,0]=4 23451 B13R2.3587 Brc1cnccc1SCC2CO2 62a_100000726257_102125554688 [0,1,0,1,0,0|2,0,0]=4 23452 B13R2.3587 Brc1cnccc1SCC2CO2 62a_102125554688_100000726257 [0,1,0,1,0,0|2,0,0]=4 23453 B13R2.3587 Brc1cnccc1SC[C@@H]2CO2 62a_100000726257_100000745022 [0,1,0,1,0,0|2,0,0]=4 23454 B13R2.3587 Brc1cnccc1SC[C@@H]2CO2 62a_100000745022_100000726257 [0,1,0,1,0,0|2,0,0]=4 23455 B13R2.3587 Brc1ncccc1OCC2CO2 34a_100000744436_102125554688 [0,1,0,1,0,0|2,0,0]=4 23456 B13R2.3587 Brc1ncccc1OCC2CO2 7a_100000744436_102125554688 [0,1,0,1,0,0|2,0,0]=4 23457 B13R2.3587 Brc1ncccc1OC[C@@H]2CO2 7a_100000744436_100000745022 [0,1,0,1,0,0|2,0,0]=4 23458 B13R2.3587 Brc1ncccc1SCC2CO2 62a_100010202626_102125554688 [0,1,0,1,0,0|2,0,0]=4 23459 B13R2.3587 Brc1ncccc1SCC2CO2 62a_102125554688_100010202626 [0,1,0,1,0,0|2,0,0]=4 23460 B13R2.3587 Brc1ncccc1SC[C@@H]2CO2 62a_100000745022_100010202626 [0,1,0,1,0,0|2,0,0]=4 23461 B13R2.3587 Brc1ncccc1SC[C@@H]2CO2 62a_100010202626_100000745022 [0,1,0,1,0,0|2,0,0]=4 23462 B13R2.3587 C[n+]1ccccc1SCC2CO2 62a_102125554688_100000212160 [0,1,0,1,0,0|2,0,0]=4 23463 B13R2.3587 C[n+]1ccccc1SC[C@@H]2CO2 62a_100000745022_100000212160 [0,1,0,1,0,0|2,0,0]=4 23464 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000174972_100000211595 [0,1,0,1,0,0|2,0,0]=4 23465 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000212008_100000211839 [0,1,0,1,0,0|2,0,0]=4 23466 B13R2.3587 Cc1ccccc1COC2CC2 34a_100000698903_100000211595 [0,1,0,1,0,0|2,0,0]=4 23467 B13R2.3587 Cc1ccccc1CSC2CC2 62a_100000211839_100000211595 [0,1,0,1,0,0|2,0,0]=4 23468 B13R2.3587 Cc1ccccc1NCC2CC2 34a_100015192222_100000742324 [0,1,0,1,0,0|2,0,0]=4 23469 B13R2.3587 Cc1ccccc1NCC2CO2 34a_100015192222_102125554688 [0,1,0,1,0,0|1,0,0]=3 23470 B13R2.3587 Cc1ccccc1OCC2CC2 34a_100000210338_100000742324 [0,1,0,1,0,0|2,0,0]=4 23471 B13R2.3587 Cc1ccccc1OCC2CC2 7a_100000210338_100000742324 [0,1,0,1,0,0|2,0,0]=4 23472 B13R2.3587 Cc1ccccc1OCC2CO2 34a_100000210338_102125554688 [0,1,0,1,0,0|1,0,0]=3 23473 B13R2.3587 Cc1ccccc1OCC2CO2 7a_100000210338_102125554688 [0,1,0,1,0,0|1,0,0]=3 23474 B13R2.3587 Cc1ccccc1OCC2CS2 7a_100000210338_100000031435 [0,1,0,1,0,0|1,1,0]=4 23475 B13R2.3587 Cc1ccccc1OC[C@@H]2CO2 7a_100000210338_100000745022 [0,1,0,1,0,0|1,0,0]=3 23476 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000210755_100000742324 [0,1,0,1,0,0|2,0,0]=4 23477 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000756562_100000210755 [0,1,0,1,0,0|2,0,0]=4 23478 B13R2.3587 Cc1ccccc1SCC2CO2 62a_100000210755_102125554688 [0,1,0,1,0,0|1,0,0]=3 23479 B13R2.3587 Cc1ccccc1SCC2CO2 62a_102125554688_100000210755 [0,1,0,1,0,0|1,0,0]=3 23480 B13R2.3587 Cc1ccccc1SCC2CS2 62a_100000031435_100000210755 [0,1,0,1,0,0|1,1,0]=4 23481 B13R2.3587 Cc1ccccc1SCC2CS2 62a_100000210755_100000031435 [0,1,0,1,0,0|1,1,0]=4 23482 B13R2.3587 Cc1ccccc1SC[C@@H]2CO2 62a_100000210755_100000745022 [0,1,0,1,0,0|1,0,0]=3 23483 B13R2.3587 Cc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000210755 [0,1,0,1,0,0|1,0,0]=3 23484 B13R2.3587 Cc1cccnc1SCC2CO2 62a_100000751373_102125554688 [0,1,0,1,0,0|2,0,0]=4 23485 B13R2.3587 Cc1cccnc1SCC2CO2 62a_102125554688_100000751373 [0,1,0,1,0,0|2,0,0]=4 23486 B13R2.3587 Cc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000751373 [0,1,0,1,0,0|2,0,0]=4 23487 B13R2.3587 Cc1cccnc1SC[C@@H]2CO2 62a_100000751373_100000745022 [0,1,0,1,0,0|2,0,0]=4 23488 B13R2.3587 Cc1ccncc1OCC2CO2 34a_100011997053_102125554688 [0,1,0,1,0,0|2,0,0]=4 23489 B13R2.3587 Cc1ccncc1OCC2CO2 7a_100011997053_102125554688 [0,1,0,1,0,0|2,0,0]=4 23490 B13R2.3587 Cc1ccncc1OC[C@@H]2CO2 7a_100011997053_100000745022 [0,1,0,1,0,0|2,0,0]=4 23491 B13R2.3587 Cc1ccncc1SCC2CO2 62a_100000761580_102125554688 [0,1,0,1,0,0|2,0,0]=4 23492 B13R2.3587 Cc1ccncc1SCC2CO2 62a_102125554688_100000761580 [0,1,0,1,0,0|2,0,0]=4 23493 B13R2.3587 Cc1ccncc1SC[C@@H]2CO2 62a_100000745022_100000761580 [0,1,0,1,0,0|2,0,0]=4 23494 B13R2.3587 Cc1ccncc1SC[C@@H]2CO2 62a_100000761580_100000745022 [0,1,0,1,0,0|2,0,0]=4 23495 B13R2.3587 Cc1cnccc1OCC2CO2 34a_100000694293_102125554688 [0,1,0,1,0,0|2,0,0]=4 23496 B13R2.3587 Cc1cnccc1SCC2CO2 62a_100000765111_102125554688 [0,1,0,1,0,0|2,0,0]=4 23497 B13R2.3587 Cc1cnccc1SCC2CO2 62a_102125554688_100000765111 [0,1,0,1,0,0|2,0,0]=4 23498 B13R2.3587 Cc1cnccc1SC[C@@H]2CO2 62a_100000745022_100000765111 [0,1,0,1,0,0|2,0,0]=4 23499 B13R2.3587 Cc1cnccc1SC[C@@H]2CO2 62a_100000765111_100000745022 [0,1,0,1,0,0|2,0,0]=4 23500 B13R2.3587 Cc1ncccc1OCC2CO2 34a_100000745507_102125554688 [0,1,0,1,0,0|2,0,0]=4 23501 B13R2.3587 Cc1ncccc1OCC2CO2 7a_100000745507_102125554688 [0,1,0,1,0,0|2,0,0]=4 23502 B13R2.3587 Cc1ncccc1OC[C@@H]2CO2 7a_100000745507_100000745022 [0,1,0,1,0,0|2,0,0]=4 23503 B13R2.3587 Cc1ncccc1SCC2CO2 62a_100000751574_102125554688 [0,1,0,1,0,0|2,0,0]=4 23504 B13R2.3587 Cc1ncccc1SCC2CO2 62a_102125554688_100000751574 [0,1,0,1,0,0|2,0,0]=4 23505 B13R2.3587 Cc1ncccc1SC[C@@H]2CO2 62a_100000745022_100000751574 [0,1,0,1,0,0|2,0,0]=4 23506 B13R2.3587 Cc1ncccc1SC[C@@H]2CO2 62a_100000751574_100000745022 [0,1,0,1,0,0|2,0,0]=4 23507 B13R2.3587 Clc1ccccc1CNC2CC2 34a_100000174879_100000211595 [0,1,0,1,0,0|2,0,0]=4 23508 B13R2.3587 Clc1ccccc1CNC2CC2 34a_100000212008_100000187162 [0,1,0,1,0,0|2,0,0]=4 23509 B13R2.3587 Clc1ccccc1COC2CC2 34a_100000210847_100000211595 [0,1,0,1,0,0|2,0,0]=4 23510 B13R2.3587 Clc1ccccc1CSC2CC2 62a_100000187162_100000211595 [0,1,0,1,0,0|2,0,0]=4 23511 B13R2.3587 Clc1ccccc1NCC2CC2 34a_100000185783_100000742324 [0,1,0,1,0,0|2,0,0]=4 23512 B13R2.3587 Clc1ccccc1NCC2CO2 34a_100000185783_102125554688 [0,1,0,1,0,0|1,0,0]=3 23513 B13R2.3587 Clc1ccccc1OCC2CC2 34a_100000210172_100000742324 [0,1,0,1,0,0|2,0,0]=4 23514 B13R2.3587 Clc1ccccc1OCC2CC2 7a_100000210172_100000742324 [0,1,0,1,0,0|2,0,0]=4 23515 B13R2.3587 Clc1ccccc1OCC2CO2 34a_100000210172_102125554688 [0,1,0,1,0,0|1,0,0]=3 23516 B13R2.3587 Clc1ccccc1OCC2CO2 7a_100000210172_102125554688 [0,1,0,1,0,0|1,0,0]=3 23517 B13R2.3587 Clc1ccccc1OCC2CS2 7a_100000210172_100000031435 [0,1,0,1,0,0|1,1,0]=4 23518 B13R2.3587 Clc1ccccc1OC[C@@H]2CO2 7a_100000210172_100000745022 [0,1,0,1,0,0|1,0,0]=3 23519 B13R2.3587 Clc1ccccc1SCC2CC2 62a_100000756562_100000764095 [0,1,0,1,0,0|2,0,0]=4 23520 B13R2.3587 Clc1ccccc1SCC2CC2 62a_100000764095_100000742324 [0,1,0,1,0,0|2,0,0]=4 23521 B13R2.3587 Clc1ccccc1SCC2CO2 62a_100000764095_102125554688 [0,1,0,1,0,0|1,0,0]=3 23522 B13R2.3587 Clc1ccccc1SCC2CO2 62a_102125554688_100000764095 [0,1,0,1,0,0|1,0,0]=3 23523 B13R2.3587 Clc1ccccc1SCC2CS2 62a_100000031435_100000764095 [0,1,0,1,0,0|1,1,0]=4 23524 B13R2.3587 Clc1ccccc1SCC2CS2 62a_100000764095_100000031435 [0,1,0,1,0,0|1,1,0]=4 23525 B13R2.3587 Clc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000764095 [0,1,0,1,0,0|1,0,0]=3 23526 B13R2.3587 Clc1ccccc1SC[C@@H]2CO2 62a_100000764095_100000745022 [0,1,0,1,0,0|1,0,0]=3 23527 B13R2.3587 Clc1cccnc1OCC2CO2 34a_100011290957_102125554688 [0,1,0,1,0,0|2,0,0]=4 23528 B13R2.3587 Clc1cccnc1SCC2CO2 62a_100011356963_102125554688 [0,1,0,1,0,0|2,0,0]=4 23529 B13R2.3587 Clc1cccnc1SCC2CO2 62a_102125554688_100011356963 [0,1,0,1,0,0|2,0,0]=4 23530 B13R2.3587 Clc1cccnc1SC[C@@H]2CO2 62a_100000745022_100011356963 [0,1,0,1,0,0|2,0,0]=4 23531 B13R2.3587 Clc1cccnc1SC[C@@H]2CO2 62a_100011356963_100000745022 [0,1,0,1,0,0|2,0,0]=4 23532 B13R2.3587 Clc1ccncc1OCC2CO2 34a_100011996695_102125554688 [0,1,0,1,0,0|2,0,0]=4 23533 B13R2.3587 Clc1ccncc1SCC2CO2 62a_100009995489_102125554688 [0,1,0,1,0,0|2,0,0]=4 23534 B13R2.3587 Clc1ccncc1SCC2CO2 62a_102125554688_100009995489 [0,1,0,1,0,0|2,0,0]=4 23535 B13R2.3587 Clc1ccncc1SC[C@@H]2CO2 62a_100000745022_100009995489 [0,1,0,1,0,0|2,0,0]=4 23536 B13R2.3587 Clc1ccncc1SC[C@@H]2CO2 62a_100009995489_100000745022 [0,1,0,1,0,0|2,0,0]=4 23537 B13R2.3587 Clc1cnccc1OCC2CO2 34a_100011997054_102125554688 [0,1,0,1,0,0|2,0,0]=4 23538 B13R2.3587 Clc1cnccc1SCC2CO2 62a_100000708259_102125554688 [0,1,0,1,0,0|2,0,0]=4 23539 B13R2.3587 Clc1cnccc1SCC2CO2 62a_102125554688_100000708259 [0,1,0,1,0,0|2,0,0]=4 23540 B13R2.3587 Clc1cnccc1SC[C@@H]2CO2 62a_100000708259_100000745022 [0,1,0,1,0,0|2,0,0]=4 23541 B13R2.3587 Clc1cnccc1SC[C@@H]2CO2 62a_100000745022_100000708259 [0,1,0,1,0,0|2,0,0]=4 23542 B13R2.3587 Clc1ncccc1OCC2CO2 34a_100000757616_102125554688 [0,1,0,1,0,0|2,0,0]=4 23543 B13R2.3587 Clc1ncccc1OCC2CO2 7a_100000757616_102125554688 [0,1,0,1,0,0|2,0,0]=4 23544 B13R2.3587 Clc1ncccc1OC[C@@H]2CO2 7a_100000757616_100000745022 [0,1,0,1,0,0|2,0,0]=4 23545 B13R2.3587 Clc1ncccc1SCC2CO2 62a_100000036424_102125554688 [0,1,0,1,0,0|2,0,0]=4 23546 B13R2.3587 Clc1ncccc1SCC2CO2 62a_102125554688_100000036424 [0,1,0,1,0,0|2,0,0]=4 23547 B13R2.3587 Clc1ncccc1SC[C@@H]2CO2 62a_100000036424_100000745022 [0,1,0,1,0,0|2,0,0]=4 23548 B13R2.3587 Clc1ncccc1SC[C@@H]2CO2 62a_100000745022_100000036424 [0,1,0,1,0,0|2,0,0]=4 23549 B13R2.3587 Fc1ccccc1CNC2CC2 34a_100000174869_100000211595 [0,1,0,1,0,0|2,0,0]=4 23550 B13R2.3587 Fc1ccccc1CNC2CC2 34a_100000212008_100000211605 [0,1,0,1,0,0|2,0,0]=4 23551 B13R2.3587 Fc1ccccc1COC2CC2 34a_100000211962_100000211595 [0,1,0,1,0,0|2,0,0]=4 23552 B13R2.3587 Fc1ccccc1CSC2CC2 62a_100000211605_100000211595 [0,1,0,1,0,0|2,0,0]=4 23553 B13R2.3587 Fc1ccccc1NCC2CC2 34a_100000210422_100000742324 [0,1,0,1,0,0|2,0,0]=4 23554 B13R2.3587 Fc1ccccc1NCC2CO2 34a_100000210422_102125554688 [0,1,0,1,0,0|1,0,0]=3 23555 B13R2.3587 Fc1ccccc1OCC2CC2 34a_100000210171_100000742324 [0,1,0,1,0,0|2,0,0]=4 23556 B13R2.3587 Fc1ccccc1OCC2CC2 7a_100000210171_100000742324 [0,1,0,1,0,0|2,0,0]=4 23557 B13R2.3587 Fc1ccccc1OCC2CO2 34a_100000210171_102125554688 [0,1,0,1,0,0|1,0,0]=3 23558 B13R2.3587 Fc1ccccc1OCC2CO2 7a_100000210171_102125554688 [0,1,0,1,0,0|1,0,0]=3 23559 B13R2.3587 Fc1ccccc1OCC2CS2 7a_100000210171_100000031435 [0,1,0,1,0,0|1,1,0]=4 23560 B13R2.3587 Fc1ccccc1OC[C@@H]2CO2 7a_100000210171_100000745022 [0,1,0,1,0,0|1,0,0]=3 23561 B13R2.3587 Fc1ccccc1SCC2CC2 62a_100000756562_100011215700 [0,1,0,1,0,0|2,0,0]=4 23562 B13R2.3587 Fc1ccccc1SCC2CC2 62a_100011215700_100000742324 [0,1,0,1,0,0|2,0,0]=4 23563 B13R2.3587 Fc1ccccc1SCC2CO2 62a_100011215700_102125554688 [0,1,0,1,0,0|1,0,0]=3 23564 B13R2.3587 Fc1ccccc1SCC2CO2 62a_102125554688_100011215700 [0,1,0,1,0,0|1,0,0]=3 23565 B13R2.3587 Fc1ccccc1SCC2CS2 62a_100000031435_100011215700 [0,1,0,1,0,0|1,1,0]=4 23566 B13R2.3587 Fc1ccccc1SCC2CS2 62a_100011215700_100000031435 [0,1,0,1,0,0|1,1,0]=4 23567 B13R2.3587 Fc1ccccc1SC[C@@H]2CO2 62a_100000745022_100011215700 [0,1,0,1,0,0|1,0,0]=3 23568 B13R2.3587 Fc1ccccc1SC[C@@H]2CO2 62a_100011215700_100000745022 [0,1,0,1,0,0|1,0,0]=3 23569 B13R2.3587 Fc1cccnc1OCC2CO2 34a_100011219419_102125554688 [0,1,0,1,0,0|2,0,0]=4 23570 B13R2.3587 Fc1cccnc1SCC2CO2 62a_100000685392_102125554688 [0,1,0,1,0,0|2,0,0]=4 23571 B13R2.3587 Fc1cccnc1SCC2CO2 62a_102125554688_100000685392 [0,1,0,1,0,0|2,0,0]=4 23572 B13R2.3587 Fc1cccnc1SC[C@@H]2CO2 62a_100000685392_100000745022 [0,1,0,1,0,0|2,0,0]=4 23573 B13R2.3587 Fc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000685392 [0,1,0,1,0,0|2,0,0]=4 23574 B13R2.3587 Fc1ccncc1SCC2CO2 62a_100009820683_102125554688 [0,1,0,1,0,0|2,0,0]=4 23575 B13R2.3587 Fc1ccncc1SCC2CO2 62a_102125554688_100009820683 [0,1,0,1,0,0|2,0,0]=4 23576 B13R2.3587 Fc1ccncc1SC[C@@H]2CO2 62a_100000745022_100009820683 [0,1,0,1,0,0|2,0,0]=4 23577 B13R2.3587 Fc1ccncc1SC[C@@H]2CO2 62a_100009820683_100000745022 [0,1,0,1,0,0|2,0,0]=4 23578 B13R2.3587 Fc1cnccc1OCC2CO2 34a_200000081243_102125554688 [0,1,0,1,0,0|2,0,0]=4 23579 B13R2.3587 Fc1cnccc1SCC2CO2 62a_100000047030_102125554688 [0,1,0,1,0,0|2,0,0]=4 23580 B13R2.3587 Fc1cnccc1SCC2CO2 62a_102125554688_100000047030 [0,1,0,1,0,0|2,0,0]=4 23581 B13R2.3587 Fc1cnccc1SC[C@@H]2CO2 62a_100000047030_100000745022 [0,1,0,1,0,0|2,0,0]=4 23582 B13R2.3587 Fc1cnccc1SC[C@@H]2CO2 62a_100000745022_100000047030 [0,1,0,1,0,0|2,0,0]=4 23583 B13R2.3587 Fc1ncccc1OCC2CO2 34a_100000061740_102125554688 [0,1,0,1,0,0|2,0,0]=4 23584 B13R2.3587 Fc1ncccc1OCC2CO2 7a_100000061740_102125554688 [0,1,0,1,0,0|2,0,0]=4 23585 B13R2.3587 Fc1ncccc1OC[C@@H]2CO2 7a_100000061740_100000745022 [0,1,0,1,0,0|2,0,0]=4 23586 B13R2.3587 Fc1ncccc1SCC2CO2 62a_100009816115_102125554688 [0,1,0,1,0,0|2,0,0]=4 23587 B13R2.3587 Fc1ncccc1SCC2CO2 62a_102125554688_100009816115 [0,1,0,1,0,0|2,0,0]=4 23588 B13R2.3587 Fc1ncccc1SC[C@@H]2CO2 62a_100000745022_100009816115 [0,1,0,1,0,0|2,0,0]=4 23589 B13R2.3587 Fc1ncccc1SC[C@@H]2CO2 62a_100009816115_100000745022 [0,1,0,1,0,0|2,0,0]=4 23590 B13R2.3587 Ic1ccccc1CNC2CC2 34a_100000212008_100011215278 [0,1,0,1,0,0|2,0,0]=4 23591 B13R2.3587 Ic1ccccc1COC2CC2 34a_100000187465_100000211595 [0,1,0,1,0,0|2,0,0]=4 23592 B13R2.3587 Ic1ccccc1CSC2CC2 62a_100011216222_100000211595 [0,1,0,1,0,0|2,0,0]=4 23593 B13R2.3587 Ic1ccccc1NCC2CC2 34a_100000210053_100000742324 [0,1,0,1,0,0|2,0,0]=4 23594 B13R2.3587 Ic1ccccc1NCC2CO2 34a_100000210053_102125554688 [0,1,0,1,0,0|1,0,0]=3 23595 B13R2.3587 Ic1ccccc1OCC2CC2 34a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 23596 B13R2.3587 Ic1ccccc1OCC2CC2 7a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 23597 B13R2.3587 Ic1ccccc1OCC2CO2 34a_100000739446_102125554688 [0,1,0,1,0,0|1,0,0]=3 23598 B13R2.3587 Ic1ccccc1OCC2CO2 7a_100000739446_102125554688 [0,1,0,1,0,0|1,0,0]=3 23599 B13R2.3587 Ic1ccccc1OCC2CS2 7a_100000739446_100000031435 [0,1,0,1,0,0|1,1,0]=4 23600 B13R2.3587 Ic1ccccc1OC[C@@H]2CO2 7a_100000739446_100000745022 [0,1,0,1,0,0|1,0,0]=3 23601 B13R2.3587 Ic1ccncc1OCC2CO2 34a_100000050107_102125554688 [0,1,0,1,0,0|2,0,0]=4 23602 B13R2.3587 Ic1ncccc1OCC2CO2 34a_100000034122_102125554688 [0,1,0,1,0,0|2,0,0]=4 23603 B13R2.3587 Ic1ncccc1OCC2CO2 7a_100000034122_102125554688 [0,1,0,1,0,0|2,0,0]=4 23604 B13R2.3587 Ic1ncccc1OC[C@@H]2CO2 7a_100000034122_100000745022 [0,1,0,1,0,0|2,0,0]=4 23605 B13R2.3587 Nc1ccccc1COC2CC2 34a_100000212039_100000211595 [0,1,0,1,0,0|2,0,0]=4 23606 B13R2.3587 Nc1ccccc1OCC2CC2 34a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 23607 B13R2.3587 Nc1ccccc1OCC2CC2 7a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 23608 B13R2.3587 Nc1ccccc1OCC2CO2 34a_100000185747_102125554688 [0,1,0,1,0,0|1,0,0]=3 23609 B13R2.3587 Nc1ccccc1OCC2CO2 7a_100000185747_102125554688 [0,1,0,1,0,0|1,0,0]=3 23610 B13R2.3587 Nc1ccccc1OCC2CS2 7a_100000185747_100000031435 [0,1,0,1,0,0|1,1,0]=4 23611 B13R2.3587 Nc1ccccc1OC[C@@H]2CO2 7a_100000185747_100000745022 [0,1,0,1,0,0|1,0,0]=3 23612 B13R2.3587 Nc1ccccc1SCC2CC2 62a_100000210017_100000742324 [0,1,0,1,0,0|2,0,0]=4 23613 B13R2.3587 Nc1ccccc1SCC2CC2 62a_100000756562_100000210017 [0,1,0,1,0,0|2,0,0]=4 23614 B13R2.3587 Nc1ccccc1SCC2CO2 62a_100000210017_102125554688 [0,1,0,1,0,0|1,0,0]=3 23615 B13R2.3587 Nc1ccccc1SCC2CO2 62a_102125554688_100000210017 [0,1,0,1,0,0|1,0,0]=3 23616 B13R2.3587 Nc1ccccc1SCC2CS2 62a_100000031435_100000210017 [0,1,0,1,0,0|1,1,0]=4 23617 B13R2.3587 Nc1ccccc1SCC2CS2 62a_100000210017_100000031435 [0,1,0,1,0,0|1,1,0]=4 23618 B13R2.3587 Nc1ccccc1SC[C@@H]2CO2 62a_100000210017_100000745022 [0,1,0,1,0,0|1,0,0]=3 23619 B13R2.3587 Nc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000210017 [0,1,0,1,0,0|1,0,0]=3 23620 B13R2.3587 Nc1cccnc1OCC2CO2 34a_100000746358_102125554688 [0,1,0,1,0,0|2,0,0]=4 23621 B13R2.3587 Nc1cccnc1SCC2CO2 62a_100000688686_102125554688 [0,1,0,1,0,0|2,0,0]=4 23622 B13R2.3587 Nc1cccnc1SCC2CO2 62a_102125554688_100000688686 [0,1,0,1,0,0|2,0,0]=4 23623 B13R2.3587 Nc1cccnc1SC[C@@H]2CO2 62a_100000688686_100000745022 [0,1,0,1,0,0|2,0,0]=4 23624 B13R2.3587 Nc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000688686 [0,1,0,1,0,0|2,0,0]=4 23625 B13R2.3587 Nc1ccncc1OCC2CO2 34a_100000753702_102125554688 [0,1,0,1,0,0|2,0,0]=4 23626 B13R2.3587 Nc1ccncc1SCC2CO2 62a_100000047001_102125554688 [0,1,0,1,0,0|2,0,0]=4 23627 B13R2.3587 Nc1ccncc1SCC2CO2 62a_102125554688_100000047001 [0,1,0,1,0,0|2,0,0]=4 23628 B13R2.3587 Nc1ccncc1SC[C@@H]2CO2 62a_100000047001_100000745022 [0,1,0,1,0,0|2,0,0]=4 23629 B13R2.3587 Nc1ccncc1SC[C@@H]2CO2 62a_100000745022_100000047001 [0,1,0,1,0,0|2,0,0]=4 23630 B13R2.3587 Nc1cnccc1SCC2CO2 62a_100000756074_102125554688 [0,1,0,1,0,0|2,0,0]=4 23631 B13R2.3587 Nc1cnccc1SCC2CO2 62a_102125554688_100000756074 [0,1,0,1,0,0|2,0,0]=4 23632 B13R2.3587 Nc1cnccc1SC[C@@H]2CO2 62a_100000745022_100000756074 [0,1,0,1,0,0|2,0,0]=4 23633 B13R2.3587 Nc1cnccc1SC[C@@H]2CO2 62a_100000756074_100000745022 [0,1,0,1,0,0|2,0,0]=4 23634 B13R2.3587 Nc1ncccc1OCC2CO2 34a_100000211975_102125554688 [0,1,0,1,0,0|2,0,0]=4 23635 B13R2.3587 Nc1ncccc1OCC2CO2 7a_100000211975_102125554688 [0,1,0,1,0,0|2,0,0]=4 23636 B13R2.3587 Nc1ncccc1OC[C@@H]2CO2 7a_100000211975_100000745022 [0,1,0,1,0,0|2,0,0]=4 23637 B13R2.3587 Nc1ncccc1SCC2CO2 62a_100000045569_102125554688 [0,1,0,1,0,0|2,0,0]=4 23638 B13R2.3587 Nc1ncccc1SCC2CO2 62a_102125554688_100000045569 [0,1,0,1,0,0|2,0,0]=4 23639 B13R2.3587 Nc1ncccc1SC[C@@H]2CO2 62a_100000045569_100000745022 [0,1,0,1,0,0|2,0,0]=4 23640 B13R2.3587 Nc1ncccc1SC[C@@H]2CO2 62a_100000745022_100000045569 [0,1,0,1,0,0|2,0,0]=4 23641 B13R2.3587 O=c1cc[nH]cc1SCC2CO2 62a_100009998708_102125554688 [0,1,0,1,0,0|2,0,0]=4 23642 B13R2.3587 O=c1cc[nH]cc1SCC2CO2 62a_102125554688_100009998708 [0,1,0,1,0,0|2,0,0]=4 23643 B13R2.3587 O=c1cc[nH]cc1SC[C@@H]2CO2 62a_100000745022_100009998708 [0,1,0,1,0,0|2,0,0]=4 23644 B13R2.3587 O=c1cc[nH]cc1SC[C@@H]2CO2 62a_100009998708_100000745022 [0,1,0,1,0,0|2,0,0]=4 23645 B13R2.3587 O=c1ccocc1OCC2CO2 34a_100000060831_102125554688 [0,1,0,1,0,0|2,0,0]=4 23646 B13R2.3587 O=c1occcc1OCC2CO2 34a_100000077404_102125554688 [0,1,0,1,0,0|2,0,0]=4 23647 B13R2.3587 O=c1occcc1OCC2CO2 7a_100000077404_102125554688 [0,1,0,1,0,0|2,0,0]=4 23648 B13R2.3587 O=c1occcc1OC[C@@H]2CO2 7a_100000077404_100000745022 [0,1,0,1,0,0|2,0,0]=4 23649 B13R2.3587 Oc1ccccc1CNC2CC2 34a_100000185550_100000211595 [0,1,0,1,0,0|2,0,0]=4 23650 B13R2.3587 Oc1ccccc1NCC2CC2 34a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 23651 B13R2.3587 Oc1ccccc1NCC2CO2 34a_100000185747_102125554688 [0,1,0,1,0,0|1,0,0]=3 23652 B13R2.3587 Oc1ccccc1OCC2CC2 271570a_203496583355_100011316338 [0,1,0,1,0,0|2,0,0]=4 23653 B13R2.3587 Oc1ccccc1SCC2CC2 62a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 23654 B13R2.3587 Oc1ccccc1SCC2CC2 62a_100000756562_100000739446 [0,1,0,1,0,0|2,0,0]=4 23655 B13R2.3587 Oc1ccccc1SCC2CO2 62a_100000739446_102125554688 [0,1,0,1,0,0|1,0,0]=3 23656 B13R2.3587 Oc1ccccc1SCC2CO2 62a_102125554688_100000739446 [0,1,0,1,0,0|1,0,0]=3 23657 B13R2.3587 Oc1ccccc1SCC2CS2 62a_100000031435_100000739446 [0,1,0,1,0,0|1,1,0]=4 23658 B13R2.3587 Oc1ccccc1SCC2CS2 62a_100000739446_100000031435 [0,1,0,1,0,0|1,1,0]=4 23659 B13R2.3587 Oc1ccccc1SC[C@@H]2CO2 62a_100000739446_100000745022 [0,1,0,1,0,0|1,0,0]=3 23660 B13R2.3587 Oc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000739446 [0,1,0,1,0,0|1,0,0]=3 23661 B13R2.3587 Oc1cccnc1SCC2CO2 62a_100000034122_102125554688 [0,1,0,1,0,0|2,0,0]=4 23662 B13R2.3587 Oc1cccnc1SCC2CO2 62a_102125554688_100000034122 [0,1,0,1,0,0|2,0,0]=4 23663 B13R2.3587 Oc1cccnc1SC[C@@H]2CO2 62a_100000034122_100000745022 [0,1,0,1,0,0|2,0,0]=4 23664 B13R2.3587 Oc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000034122 [0,1,0,1,0,0|2,0,0]=4 23665 B13R2.3587 Oc1cnccc1SCC2CO2 62a_100009817591_102125554688 [0,1,0,1,0,0|2,0,0]=4 23666 B13R2.3587 Oc1cnccc1SCC2CO2 62a_102125554688_100009817591 [0,1,0,1,0,0|2,0,0]=4 23667 B13R2.3587 Oc1cnccc1SC[C@@H]2CO2 62a_100000745022_100009817591 [0,1,0,1,0,0|2,0,0]=4 23668 B13R2.3587 Oc1cnccc1SC[C@@H]2CO2 62a_100009817591_100000745022 [0,1,0,1,0,0|2,0,0]=4 23669 B13R2.3587 Oc1ncccc1SCC2CO2 62a_100000760158_102125554688 [0,1,0,1,0,0|2,0,0]=4 23670 B13R2.3587 Oc1ncccc1SCC2CO2 62a_102125554688_100000760158 [0,1,0,1,0,0|2,0,0]=4 23671 B13R2.3587 Oc1ncccc1SC[C@@H]2CO2 62a_100000745022_100000760158 [0,1,0,1,0,0|2,0,0]=4 23672 B13R2.3587 Oc1ncccc1SC[C@@H]2CO2 62a_100000760158_100000745022 [0,1,0,1,0,0|2,0,0]=4 23673 B13R2.3587 S=c1cc[nH]cc1SCC2CO2 62a_102125554688_200012280681 [0,1,0,1,0,0|2,0,0]=4 23674 B13R2.3587 S=c1cc[nH]cc1SCC2CO2 62a_200012280681_102125554688 [0,1,0,1,0,0|2,0,0]=4 23675 B13R2.3587 S=c1cc[nH]cc1SC[C@@H]2CO2 62a_100000745022_200012280681 [0,1,0,1,0,0|2,0,0]=4 23676 B13R2.3587 S=c1cc[nH]cc1SC[C@@H]2CO2 62a_200012280681_100000745022 [0,1,0,1,0,0|2,0,0]=4 23677 B13R2.3587 [O-][n+]1ccccc1OCC2CO2 7a_100000211761_102125554688 [0,1,0,1,0,0|2,0,0]=4 23678 B13R2.3587 [O-][n+]1ccccc1OC[C@@H]2CO2 7a_100000211761_100000745022 [0,1,0,1,0,0|2,0,0]=4 23679 B13R2.3587 [O-][n+]1ccccc1SCC2CO2 62a_102125554688_200000042595 [0,1,0,1,0,0|2,0,0]=4 23680 B13R2.3587 [O-][n+]1ccccc1SC[C@@H]2CO2 62a_100000745022_200000042595 [0,1,0,1,0,0|2,0,0]=4 23681 B13R2.5179 CN1CCc2c(cccc2C1)Br 2230a_100000756787_200000210301 [0,1,0,1,0,0|2,0,0]=4 23682 B13R2.5179 CN1CCc2c(cccc2C1)Br 269982a_100000756787_200000210301 [0,1,0,1,0,0|2,0,0]=4 23683 B13R2.5179 CN1CCc2c(cccc2C1)Br 34a_100000756787_200000210301 [0,1,0,1,0,0|2,0,0]=4 23684 B13R2.5179 CN1CCc2c(cccc2C1)Cl 2230a_100015184967_200000210301 [0,1,0,1,0,0|2,0,0]=4 23685 B13R2.5179 CN1CCc2c(cccc2C1)Cl 269982a_100015184967_200000210301 [0,1,0,1,0,0|2,0,0]=4 23686 B13R2.5179 CN1CCc2c(cccc2C1)Cl 34a_100015184967_200000210301 [0,1,0,1,0,0|2,0,0]=4 23687 B13R2.5179 CN1CCc2c(cccc2C1)F 2230a_100016987532_200000210301 [0,1,0,1,0,0|2,0,0]=4 23688 B13R2.5179 CN1CCc2c(cccc2C1)F 269982a_100016987532_200000210301 [0,1,0,1,0,0|2,0,0]=4 23689 B13R2.5179 CN1CCc2c(cccc2C1)F 34a_100016987532_200000210301 [0,1,0,1,0,0|2,0,0]=4 23690 B13R2.5179 CN1CCc2c(cccc2C1)O 2230a_100020635587_200000210301 [0,1,0,1,0,0|2,0,0]=4 23691 B13R2.5179 CN1CCc2c(cccc2C1)O 269982a_100020635587_200000210301 [0,1,0,1,0,0|2,0,0]=4 23692 B13R2.5179 CN1CCc2c(cccc2C1)O 34a_100020635587_200000210301 [0,1,0,1,0,0|2,0,0]=4 23693 B13R2.5179 Cc1cccc2c1CCN(C2)C 2230a_200000752276_200000210301 [0,1,0,1,0,0|2,0,0]=4 23694 B13R2.5179 Cc1cccc2c1CCN(C2)C 269982a_200000752276_200000210301 [0,1,0,1,0,0|2,0,0]=4 23695 B13R2.5179 Cc1cccc2c1CCN(C2)C 34a_200000752276_200000210301 [0,1,0,1,0,0|2,0,0]=4 23696 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 2230a_200000752276_200025704644 [0,1,0,1,0,0|2,0,0]=4 23697 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 269982a_200000752276_200025704644 [0,1,0,1,0,0|2,0,0]=4 23698 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 34a_200000752276_200025704644 [0,1,0,1,0,0|2,0,0]=4 23699 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,1,0,1,0,0|0,0,2]=4 23700 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,1,0,1,0,0|1,0,1]=4 23701 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 2230a_100000756787_200025704644 [0,1,0,1,0,0|2,0,0]=4 23702 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 269982a_100000756787_200025704644 [0,1,0,1,0,0|2,0,0]=4 23703 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 34a_100000756787_200025704644 [0,1,0,1,0,0|2,0,0]=4 23704 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 2230a_100015184967_200025704644 [0,1,0,1,0,0|2,0,0]=4 23705 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 269982a_100015184967_200025704644 [0,1,0,1,0,0|2,0,0]=4 23706 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 34a_100015184967_200025704644 [0,1,0,1,0,0|2,0,0]=4 23707 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 2230a_100016987532_200025704644 [0,1,0,1,0,0|2,0,0]=4 23708 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 269982a_100016987532_200025704644 [0,1,0,1,0,0|2,0,0]=4 23709 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 34a_100016987532_200025704644 [0,1,0,1,0,0|2,0,0]=4 23710 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 2230a_100020635587_200025704644 [0,1,0,1,0,0|2,0,0]=4 23711 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 269982a_100020635587_200025704644 [0,1,0,1,0,0|2,0,0]=4 23712 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 34a_100020635587_200025704644 [0,1,0,1,0,0|2,0,0]=4 23713 B13R2.151 Cc1cc(ccn1)N2CC(C2)O 27a_100000749847_100000758586 [0,1,0,1,0,0|2,0,0]=4 23714 B13R2.151 O=c1cc(cc[nH]1)N2CC(C2)O 27a_100000749847_100000061649 [0,1,0,1,0,0|2,0,0]=4 23715 B13R2.151 OC1CN(C1)c2cc(ccn2)F 27a_100000749847_100000764206 [0,1,0,1,0,0|2,0,0]=4 23716 B13R2.151 OC1CN(C1)c2cccc(n2)F 27a_100000749847_100009815982 [0,1,0,1,0,0|2,0,0]=4 23717 B13R2.151 OC1CN(C1)c2ccnc(c2)F 27a_100000749847_100009816116 [0,1,0,1,0,0|2,0,0]=4 23718 B13R2.162 CN1CCc2cccc(c2C1)Br 2230a_100000687140_200000210301 [0,1,0,1,0,0|2,0,0]=4 23719 B13R2.162 CN1CCc2cccc(c2C1)Br 269982a_100000687140_200000210301 [0,1,0,1,0,0|2,0,0]=4 23720 B13R2.162 CN1CCc2cccc(c2C1)Br 34a_100000687140_200000210301 [0,1,0,1,0,0|2,0,0]=4 23721 B13R2.162 CN1CCc2cccc(c2C1)Cl 2230a_100011273781_200000210301 [0,1,0,1,0,0|2,0,0]=4 23722 B13R2.162 CN1CCc2cccc(c2C1)Cl 269982a_100011273781_200000210301 [0,1,0,1,0,0|2,0,0]=4 23723 B13R2.162 CN1CCc2cccc(c2C1)Cl 34a_100011273781_200000210301 [0,1,0,1,0,0|2,0,0]=4 23724 B13R2.162 CN1CCc2cccc(c2C1)F 2230a_100000695702_200000210301 [0,1,0,1,0,0|2,0,0]=4 23725 B13R2.162 CN1CCc2cccc(c2C1)F 269982a_100000695702_200000210301 [0,1,0,1,0,0|2,0,0]=4 23726 B13R2.162 CN1CCc2cccc(c2C1)F 34a_100000695702_200000210301 [0,1,0,1,0,0|2,0,0]=4 23727 B13R2.162 CN1CCc2cccc(c2C1)O 2230a_100016995156_200000210301 [0,1,0,1,0,0|2,0,0]=4 23728 B13R2.162 CN1CCc2cccc(c2C1)O 269982a_100016995156_200000210301 [0,1,0,1,0,0|2,0,0]=4 23729 B13R2.162 CN1CCc2cccc(c2C1)O 34a_100016995156_200000210301 [0,1,0,1,0,0|2,0,0]=4 23730 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [0,1,0,1,0,0|0,0,2]=4 23731 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 2230a_100000687140_200025704644 [0,1,0,1,0,0|2,0,0]=4 23732 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 269982a_100000687140_200025704644 [0,1,0,1,0,0|2,0,0]=4 23733 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 34a_100000687140_200025704644 [0,1,0,1,0,0|2,0,0]=4 23734 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 2230a_100011273781_200025704644 [0,1,0,1,0,0|2,0,0]=4 23735 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 269982a_100011273781_200025704644 [0,1,0,1,0,0|2,0,0]=4 23736 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 34a_100011273781_200025704644 [0,1,0,1,0,0|2,0,0]=4 23737 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 2230a_100000695702_200025704644 [0,1,0,1,0,0|2,0,0]=4 23738 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 269982a_100000695702_200025704644 [0,1,0,1,0,0|2,0,0]=4 23739 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 34a_100000695702_200025704644 [0,1,0,1,0,0|2,0,0]=4 23740 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 2230a_100016995156_200025704644 [0,1,0,1,0,0|2,0,0]=4 23741 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 269982a_100016995156_200025704644 [0,1,0,1,0,0|2,0,0]=4 23742 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 34a_100016995156_200025704644 [0,1,0,1,0,0|2,0,0]=4 23743 B13R2.3683 CC1CCc2cc(ccc2N1)O 271570a_203496583355_100010333662 [0,1,0,1,0,0|1,0,0]=3 23744 B13R2.3683 CC1Cc2ccc(cc2CN1)O 271570a_203496583355_200000706634 [0,1,0,1,0,0|2,0,0]=4 23745 B13R2.3683 CN1CCc2cc(ccc2C1)Br 2230a_100000686056_200000210301 [0,1,0,1,0,0|2,0,0]=4 23746 B13R2.3683 CN1CCc2cc(ccc2C1)Br 269982a_100000686056_200000210301 [0,1,0,1,0,0|2,0,0]=4 23747 B13R2.3683 CN1CCc2cc(ccc2C1)Br 34a_100000686056_200000210301 [0,1,0,1,0,0|2,0,0]=4 23748 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 2230a_100011273784_200000210301 [0,1,0,1,0,0|2,0,0]=4 23749 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 269982a_100011273784_200000210301 [0,1,0,1,0,0|2,0,0]=4 23750 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 34a_100011273784_200000210301 [0,1,0,1,0,0|2,0,0]=4 23751 B13R2.3683 CN1CCc2cc(ccc2C1)F 2230a_100011273785_200000210301 [0,1,0,1,0,0|2,0,0]=4 23752 B13R2.3683 CN1CCc2cc(ccc2C1)F 269982a_100011273785_200000210301 [0,1,0,1,0,0|2,0,0]=4 23753 B13R2.3683 CN1CCc2cc(ccc2C1)F 34a_100011273785_200000210301 [0,1,0,1,0,0|2,0,0]=4 23754 B13R2.3683 CN1CCc2cc(ccc2C1)O 2230a_100000077532_200000210301 [0,1,0,1,0,0|2,0,0]=4 23755 B13R2.3683 CN1CCc2cc(ccc2C1)O 269982a_100000077532_200000210301 [0,1,0,1,0,0|2,0,0]=4 23756 B13R2.3683 CN1CCc2cc(ccc2C1)O 34a_100000077532_200000210301 [0,1,0,1,0,0|2,0,0]=4 23757 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 2230a_100000718575_200000210301 [0,1,0,1,0,0|2,0,0]=4 23758 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 269982a_100000718575_200000210301 [0,1,0,1,0,0|2,0,0]=4 23759 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 34a_100000718575_200000210301 [0,1,0,1,0,0|2,0,0]=4 23760 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 2230a_100000718575_200025704644 [0,1,0,1,0,0|2,0,0]=4 23761 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 269982a_100000718575_200025704644 [0,1,0,1,0,0|2,0,0]=4 23762 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 34a_100000718575_200025704644 [0,1,0,1,0,0|2,0,0]=4 23763 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,1,0,1,0,0|0,0,2]=4 23764 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,1,0,1,0,0|1,0,1]=4 23765 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 2230a_100000686056_200025704644 [0,1,0,1,0,0|2,0,0]=4 23766 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 269982a_100000686056_200025704644 [0,1,0,1,0,0|2,0,0]=4 23767 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 34a_100000686056_200025704644 [0,1,0,1,0,0|2,0,0]=4 23768 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 2230a_100011273784_200025704644 [0,1,0,1,0,0|2,0,0]=4 23769 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 269982a_100011273784_200025704644 [0,1,0,1,0,0|2,0,0]=4 23770 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 34a_100011273784_200025704644 [0,1,0,1,0,0|2,0,0]=4 23771 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 2230a_100011273785_200025704644 [0,1,0,1,0,0|2,0,0]=4 23772 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 269982a_100011273785_200025704644 [0,1,0,1,0,0|2,0,0]=4 23773 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 34a_100011273785_200025704644 [0,1,0,1,0,0|2,0,0]=4 23774 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 2230a_100000077532_200025704644 [0,1,0,1,0,0|2,0,0]=4 23775 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 269982a_100000077532_200025704644 [0,1,0,1,0,0|2,0,0]=4 23776 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 34a_100000077532_200025704644 [0,1,0,1,0,0|2,0,0]=4 23777 B13R2.5331 Brc1cc(ccn1)SCC2CO2 62a_100009814637_102125554688 [0,1,0,1,0,0|2,0,0]=4 23778 B13R2.5331 Brc1cc(ccn1)SCC2CO2 62a_102125554688_100009814637 [0,1,0,1,0,0|2,0,0]=4 23779 B13R2.5331 Brc1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100009814637 [0,1,0,1,0,0|2,0,0]=4 23780 B13R2.5331 Brc1cc(ccn1)SC[C@@H]2CO2 62a_100009814637_100000745022 [0,1,0,1,0,0|2,0,0]=4 23781 B13R2.5331 Brc1cccc(c1)CNC2CC2 34a_100000174977_100000211595 [0,1,0,1,0,0|2,0,0]=4 23782 B13R2.5331 Brc1cccc(c1)CNC2CC2 34a_100000212008_100000698116 [0,1,0,1,0,0|2,0,0]=4 23783 B13R2.5331 Brc1cccc(c1)COC2CC2 34a_100000687537_100000211595 [0,1,0,1,0,0|2,0,0]=4 23784 B13R2.5331 Brc1cccc(c1)CSC2CC2 62a_100000211773_100000211595 [0,1,0,1,0,0|2,0,0]=4 23785 B13R2.5331 Brc1cccc(c1)NCC2CC2 34a_100000210019_100000742324 [0,1,0,1,0,0|2,0,0]=4 23786 B13R2.5331 Brc1cccc(c1)NCC2CO2 34a_100000210019_102125554688 [0,1,0,1,0,0|1,0,0]=3 23787 B13R2.5331 Brc1cccc(c1)OCC2CC2 34a_100000210342_100000742324 [0,1,0,1,0,0|2,0,0]=4 23788 B13R2.5331 Brc1cccc(c1)OCC2CC2 7a_100000210342_100000742324 [0,1,0,1,0,0|2,0,0]=4 23789 B13R2.5331 Brc1cccc(c1)OCC2CO2 34a_100000210342_102125554688 [0,1,0,1,0,0|1,0,0]=3 23790 B13R2.5331 Brc1cccc(c1)OCC2CO2 7a_100000210342_102125554688 [0,1,0,1,0,0|1,0,0]=3 23791 B13R2.5331 Brc1cccc(c1)OCC2CS2 7a_100000210342_100000031435 [0,1,0,1,0,0|1,1,0]=4 23792 B13R2.5331 Brc1cccc(c1)OC[C@@H]2CO2 7a_100000210342_100000745022 [0,1,0,1,0,0|1,0,0]=3 23793 B13R2.5331 Brc1cccc(c1)SCC2CC2 62a_100000691529_100000742324 [0,1,0,1,0,0|2,0,0]=4 23794 B13R2.5331 Brc1cccc(c1)SCC2CC2 62a_100000756562_100000691529 [0,1,0,1,0,0|2,0,0]=4 23795 B13R2.5331 Brc1cccc(c1)SCC2CO2 62a_100000691529_102125554688 [0,1,0,1,0,0|1,0,0]=3 23796 B13R2.5331 Brc1cccc(c1)SCC2CO2 62a_102125554688_100000691529 [0,1,0,1,0,0|1,0,0]=3 23797 B13R2.5331 Brc1cccc(c1)SCC2CS2 62a_100000031435_100000691529 [0,1,0,1,0,0|1,1,0]=4 23798 B13R2.5331 Brc1cccc(c1)SCC2CS2 62a_100000691529_100000031435 [0,1,0,1,0,0|1,1,0]=4 23799 B13R2.5331 Brc1cccc(c1)SC[C@@H]2CO2 62a_100000691529_100000745022 [0,1,0,1,0,0|1,0,0]=3 23800 B13R2.5331 Brc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000691529 [0,1,0,1,0,0|1,0,0]=3 23801 B13R2.5331 Brc1cccc(n1)SCC2CO2 62a_100000684672_102125554688 [0,1,0,1,0,0|2,0,0]=4 23802 B13R2.5331 Brc1cccc(n1)SCC2CO2 62a_102125554688_100000684672 [0,1,0,1,0,0|2,0,0]=4 23803 B13R2.5331 Brc1cccc(n1)SC[C@@H]2CO2 62a_100000684672_100000745022 [0,1,0,1,0,0|2,0,0]=4 23804 B13R2.5331 Brc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100000684672 [0,1,0,1,0,0|2,0,0]=4 23805 B13R2.5331 Brc1cncc(c1)OCC2CO2 34a_100000754920_102125554688 [0,1,0,1,0,0|2,0,0]=4 23806 B13R2.5331 Brc1cncc(c1)OCC2CO2 7a_100000754920_102125554688 [0,1,0,1,0,0|2,0,0]=4 23807 B13R2.5331 Brc1cncc(c1)OC[C@@H]2CO2 7a_100000754920_100000745022 [0,1,0,1,0,0|2,0,0]=4 23808 B13R2.5331 Brc1cncc(c1)SCC2CO2 62a_100000728054_102125554688 [0,1,0,1,0,0|2,0,0]=4 23809 B13R2.5331 Brc1cncc(c1)SCC2CO2 62a_102125554688_100000728054 [0,1,0,1,0,0|2,0,0]=4 23810 B13R2.5331 Brc1cncc(c1)SC[C@@H]2CO2 62a_100000728054_100000745022 [0,1,0,1,0,0|2,0,0]=4 23811 B13R2.5331 Brc1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000728054 [0,1,0,1,0,0|2,0,0]=4 23812 B13R2.5331 C[n+]1cccc(c1)SCC2CO2 62a_100009996589_102125554688 [0,1,0,1,0,0|2,0,0]=4 23813 B13R2.5331 C[n+]1cccc(c1)SCC2CO2 62a_102125554688_100009996589 [0,1,0,1,0,0|2,0,0]=4 23814 B13R2.5331 C[n+]1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100009996589 [0,1,0,1,0,0|2,0,0]=4 23815 B13R2.5331 C[n+]1cccc(c1)SC[C@@H]2CO2 62a_100009996589_100000745022 [0,1,0,1,0,0|2,0,0]=4 23816 B13R2.5331 Cc1cc(ccn1)OCC2CO2 34a_100000688365_102125554688 [0,1,0,1,0,0|2,0,0]=4 23817 B13R2.5331 Cc1cc(ccn1)SCC2CO2 62a_100000758586_102125554688 [0,1,0,1,0,0|2,0,0]=4 23818 B13R2.5331 Cc1cc(ccn1)SCC2CO2 62a_102125554688_100000758586 [0,1,0,1,0,0|2,0,0]=4 23819 B13R2.5331 Cc1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100000758586 [0,1,0,1,0,0|2,0,0]=4 23820 B13R2.5331 Cc1cc(ccn1)SC[C@@H]2CO2 62a_100000758586_100000745022 [0,1,0,1,0,0|2,0,0]=4 23821 B13R2.5331 Cc1cccc(c1)CNC2CC2 34a_100000185548_100000211595 [0,1,0,1,0,0|2,0,0]=4 23822 B13R2.5331 Cc1cccc(c1)CNC2CC2 34a_100000212008_100000211840 [0,1,0,1,0,0|2,0,0]=4 23823 B13R2.5331 Cc1cccc(c1)COC2CC2 34a_100011217746_100000211595 [0,1,0,1,0,0|2,0,0]=4 23824 B13R2.5331 Cc1cccc(c1)CSC2CC2 62a_100000211840_100000211595 [0,1,0,1,0,0|2,0,0]=4 23825 B13R2.5331 Cc1cccc(c1)NCC2CC2 2230a_100000188690_100000742324 [0,1,0,1,0,0|2,0,0]=4 23826 B13R2.5331 Cc1cccc(c1)NCC2CC2 34a_100000188690_100000742324 [0,1,0,1,0,0|2,0,0]=4 23827 B13R2.5331 Cc1cccc(c1)NCC2CO2 2230a_100000188690_100011216344 [0,1,0,1,0,0|1,0,0]=3 23828 B13R2.5331 Cc1cccc(c1)NCC2CO2 34a_100000188690_102125554688 [0,1,0,1,0,0|1,0,0]=3 23829 B13R2.5331 Cc1cccc(c1)OCC2CC2 34a_100000210337_100000742324 [0,1,0,1,0,0|2,0,0]=4 23830 B13R2.5331 Cc1cccc(c1)OCC2CC2 7a_100000210337_100000742324 [0,1,0,1,0,0|2,0,0]=4 23831 B13R2.5331 Cc1cccc(c1)OCC2CO2 34a_100000210337_102125554688 [0,1,0,1,0,0|1,0,0]=3 23832 B13R2.5331 Cc1cccc(c1)OCC2CO2 7a_100000210337_102125554688 [0,1,0,1,0,0|1,0,0]=3 23833 B13R2.5331 Cc1cccc(c1)OCC2CS2 7a_100000210337_100000031435 [0,1,0,1,0,0|1,1,0]=4 23834 B13R2.5331 Cc1cccc(c1)OC[C@@H]2CO2 7a_100000210337_100000745022 [0,1,0,1,0,0|1,0,0]=3 23835 B13R2.5331 Cc1cccc(c1)SCC2CC2 62a_100000756562_100011215228 [0,1,0,1,0,0|2,0,0]=4 23836 B13R2.5331 Cc1cccc(c1)SCC2CC2 62a_100011215228_100000742324 [0,1,0,1,0,0|2,0,0]=4 23837 B13R2.5331 Cc1cccc(c1)SCC2CO2 62a_100011215228_102125554688 [0,1,0,1,0,0|1,0,0]=3 23838 B13R2.5331 Cc1cccc(c1)SCC2CO2 62a_102125554688_100011215228 [0,1,0,1,0,0|1,0,0]=3 23839 B13R2.5331 Cc1cccc(c1)SCC2CS2 62a_100000031435_100011215228 [0,1,0,1,0,0|1,1,0]=4 23840 B13R2.5331 Cc1cccc(c1)SCC2CS2 62a_100011215228_100000031435 [0,1,0,1,0,0|1,1,0]=4 23841 B13R2.5331 Cc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100011215228 [0,1,0,1,0,0|1,0,0]=3 23842 B13R2.5331 Cc1cccc(c1)SC[C@@H]2CO2 62a_100011215228_100000745022 [0,1,0,1,0,0|1,0,0]=3 23843 B13R2.5331 Cc1cccc(n1)SCC2CO2 62a_100000742759_102125554688 [0,1,0,1,0,0|2,0,0]=4 23844 B13R2.5331 Cc1cccc(n1)SCC2CO2 62a_102125554688_100000742759 [0,1,0,1,0,0|2,0,0]=4 23845 B13R2.5331 Cc1cccc(n1)SC[C@@H]2CO2 62a_100000742759_100000745022 [0,1,0,1,0,0|2,0,0]=4 23846 B13R2.5331 Cc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100000742759 [0,1,0,1,0,0|2,0,0]=4 23847 B13R2.5331 Cc1ccnc(c1)SCC2CO2 62a_100000750283_102125554688 [0,1,0,1,0,0|2,0,0]=4 23848 B13R2.5331 Cc1ccnc(c1)SCC2CO2 62a_102125554688_100000750283 [0,1,0,1,0,0|2,0,0]=4 23849 B13R2.5331 Cc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000750283 [0,1,0,1,0,0|2,0,0]=4 23850 B13R2.5331 Cc1ccnc(c1)SC[C@@H]2CO2 62a_100000750283_100000745022 [0,1,0,1,0,0|2,0,0]=4 23851 B13R2.5331 Cc1cncc(c1)OCC2CO2 34a_100011830280_102125554688 [0,1,0,1,0,0|2,0,0]=4 23852 B13R2.5331 Cc1cncc(c1)OCC2CO2 7a_100011830280_102125554688 [0,1,0,1,0,0|2,0,0]=4 23853 B13R2.5331 Cc1cncc(c1)OC[C@@H]2CO2 7a_100011830280_100000745022 [0,1,0,1,0,0|2,0,0]=4 23854 B13R2.5331 Cc1cncc(c1)SCC2CO2 62a_100000760492_102125554688 [0,1,0,1,0,0|2,0,0]=4 23855 B13R2.5331 Cc1cncc(c1)SCC2CO2 62a_102125554688_100000760492 [0,1,0,1,0,0|2,0,0]=4 23856 B13R2.5331 Cc1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000760492 [0,1,0,1,0,0|2,0,0]=4 23857 B13R2.5331 Cc1cncc(c1)SC[C@@H]2CO2 62a_100000760492_100000745022 [0,1,0,1,0,0|2,0,0]=4 23858 B13R2.5331 Clc1cc(ccn1)OCC2CO2 34a_100000762945_102125554688 [0,1,0,1,0,0|2,0,0]=4 23859 B13R2.5331 Clc1cc(ccn1)SCC2CO2 62a_100000035001_102125554688 [0,1,0,1,0,0|2,0,0]=4 23860 B13R2.5331 Clc1cc(ccn1)SCC2CO2 62a_102125554688_100000035001 [0,1,0,1,0,0|2,0,0]=4 23861 B13R2.5331 Clc1cc(ccn1)SC[C@@H]2CO2 62a_100000035001_100000745022 [0,1,0,1,0,0|2,0,0]=4 23862 B13R2.5331 Clc1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100000035001 [0,1,0,1,0,0|2,0,0]=4 23863 B13R2.5331 Clc1cccc(c1)CNC2CC2 34a_100000174878_100000211595 [0,1,0,1,0,0|2,0,0]=4 23864 B13R2.5331 Clc1cccc(c1)CNC2CC2 34a_100000212008_100000187163 [0,1,0,1,0,0|2,0,0]=4 23865 B13R2.5331 Clc1cccc(c1)COC2CC2 34a_100000241301_100000211595 [0,1,0,1,0,0|2,0,0]=4 23866 B13R2.5331 Clc1cccc(c1)CSC2CC2 62a_100000187163_100000211595 [0,1,0,1,0,0|2,0,0]=4 23867 B13R2.5331 Clc1cccc(c1)NCC2CC2 34a_100000185859_100000742324 [0,1,0,1,0,0|2,0,0]=4 23868 B13R2.5331 Clc1cccc(c1)NCC2CO2 34a_100000185859_102125554688 [0,1,0,1,0,0|1,0,0]=3 23869 B13R2.5331 Clc1cccc(c1)OCC2CC2 34a_100000210295_100000742324 [0,1,0,1,0,0|2,0,0]=4 23870 B13R2.5331 Clc1cccc(c1)OCC2CC2 7a_100000210295_100000742324 [0,1,0,1,0,0|2,0,0]=4 23871 B13R2.5331 Clc1cccc(c1)OCC2CO2 34a_100000210295_102125554688 [0,1,0,1,0,0|1,0,0]=3 23872 B13R2.5331 Clc1cccc(c1)OCC2CO2 7a_100000210295_102125554688 [0,1,0,1,0,0|1,0,0]=3 23873 B13R2.5331 Clc1cccc(c1)OCC2CS2 7a_100000210295_100000031435 [0,1,0,1,0,0|1,1,0]=4 23874 B13R2.5331 Clc1cccc(c1)OC[C@@H]2CO2 7a_100000210295_100000745022 [0,1,0,1,0,0|1,0,0]=3 23875 B13R2.5331 Clc1cccc(c1)SCC2CC2 62a_100000699651_100000742324 [0,1,0,1,0,0|2,0,0]=4 23876 B13R2.5331 Clc1cccc(c1)SCC2CC2 62a_100000756562_100000699651 [0,1,0,1,0,0|2,0,0]=4 23877 B13R2.5331 Clc1cccc(c1)SCC2CO2 62a_100000699651_102125554688 [0,1,0,1,0,0|1,0,0]=3 23878 B13R2.5331 Clc1cccc(c1)SCC2CO2 62a_102125554688_100000699651 [0,1,0,1,0,0|1,0,0]=3 23879 B13R2.5331 Clc1cccc(c1)SCC2CS2 62a_100000031435_100000699651 [0,1,0,1,0,0|1,1,0]=4 23880 B13R2.5331 Clc1cccc(c1)SCC2CS2 62a_100000699651_100000031435 [0,1,0,1,0,0|1,1,0]=4 23881 B13R2.5331 Clc1cccc(c1)SC[C@@H]2CO2 62a_100000699651_100000745022 [0,1,0,1,0,0|1,0,0]=3 23882 B13R2.5331 Clc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000699651 [0,1,0,1,0,0|1,0,0]=3 23883 B13R2.5331 Clc1cccc(n1)SCC2CO2 62a_100000051397_102125554688 [0,1,0,1,0,0|2,0,0]=4 23884 B13R2.5331 Clc1cccc(n1)SCC2CO2 62a_102125554688_100000051397 [0,1,0,1,0,0|2,0,0]=4 23885 B13R2.5331 Clc1cccc(n1)SC[C@@H]2CO2 62a_100000051397_100000745022 [0,1,0,1,0,0|2,0,0]=4 23886 B13R2.5331 Clc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100000051397 [0,1,0,1,0,0|2,0,0]=4 23887 B13R2.5331 Clc1ccnc(c1)SCC2CO2 62a_100010167805_102125554688 [0,1,0,1,0,0|2,0,0]=4 23888 B13R2.5331 Clc1ccnc(c1)SCC2CO2 62a_102125554688_100010167805 [0,1,0,1,0,0|2,0,0]=4 23889 B13R2.5331 Clc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100010167805 [0,1,0,1,0,0|2,0,0]=4 23890 B13R2.5331 Clc1ccnc(c1)SC[C@@H]2CO2 62a_100010167805_100000745022 [0,1,0,1,0,0|2,0,0]=4 23891 B13R2.5331 Clc1cncc(c1)OCC2CO2 7a_100000032511_102125554688 [0,1,0,1,0,0|2,0,0]=4 23892 B13R2.5331 Clc1cncc(c1)OC[C@@H]2CO2 7a_100000032511_100000745022 [0,1,0,1,0,0|2,0,0]=4 23893 B13R2.5331 Clc1cncc(c1)SCC2CO2 62a_100000049639_102125554688 [0,1,0,1,0,0|2,0,0]=4 23894 B13R2.5331 Clc1cncc(c1)SCC2CO2 62a_102125554688_100000049639 [0,1,0,1,0,0|2,0,0]=4 23895 B13R2.5331 Clc1cncc(c1)SC[C@@H]2CO2 62a_100000049639_100000745022 [0,1,0,1,0,0|2,0,0]=4 23896 B13R2.5331 Clc1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000049639 [0,1,0,1,0,0|2,0,0]=4 23897 B13R2.5331 Fc1cc(ccn1)OCC2CO2 34a_100000732698_102125554688 [0,1,0,1,0,0|2,0,0]=4 23898 B13R2.5331 Fc1cc(ccn1)SCC2CO2 62a_100009816116_102125554688 [0,1,0,1,0,0|2,0,0]=4 23899 B13R2.5331 Fc1cc(ccn1)SCC2CO2 62a_102125554688_100009816116 [0,1,0,1,0,0|2,0,0]=4 23900 B13R2.5331 Fc1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100009816116 [0,1,0,1,0,0|2,0,0]=4 23901 B13R2.5331 Fc1cc(ccn1)SC[C@@H]2CO2 62a_100009816116_100000745022 [0,1,0,1,0,0|2,0,0]=4 23902 B13R2.5331 Fc1cccc(c1)CNC2CC2 34a_100000174948_100000211595 [0,1,0,1,0,0|2,0,0]=4 23903 B13R2.5331 Fc1cccc(c1)CNC2CC2 34a_100000212008_100000187166 [0,1,0,1,0,0|2,0,0]=4 23904 B13R2.5331 Fc1cccc(c1)COC2CC2 34a_100000210976_100000211595 [0,1,0,1,0,0|2,0,0]=4 23905 B13R2.5331 Fc1cccc(c1)CSC2CC2 62a_100000230114_100000211595 [0,1,0,1,0,0|2,0,0]=4 23906 B13R2.5331 Fc1cccc(c1)NCC2CC2 34a_100000210047_100000742324 [0,1,0,1,0,0|2,0,0]=4 23907 B13R2.5331 Fc1cccc(c1)NCC2CO2 34a_100000210047_102125554688 [0,1,0,1,0,0|1,0,0]=3 23908 B13R2.5331 Fc1cccc(c1)OCC2CC2 34a_100000210426_100000742324 [0,1,0,1,0,0|2,0,0]=4 23909 B13R2.5331 Fc1cccc(c1)OCC2CC2 7a_100000210426_100000742324 [0,1,0,1,0,0|2,0,0]=4 23910 B13R2.5331 Fc1cccc(c1)OCC2CO2 34a_100000210426_102125554688 [0,1,0,1,0,0|1,0,0]=3 23911 B13R2.5331 Fc1cccc(c1)OCC2CO2 7a_100000210426_102125554688 [0,1,0,1,0,0|1,0,0]=3 23912 B13R2.5331 Fc1cccc(c1)OCC2CS2 7a_100000210426_100000031435 [0,1,0,1,0,0|1,1,0]=4 23913 B13R2.5331 Fc1cccc(c1)OC[C@@H]2CO2 7a_100000210426_100000745022 [0,1,0,1,0,0|1,0,0]=3 23914 B13R2.5331 Fc1cccc(c1)SCC2CC2 62a_100000685547_100000742324 [0,1,0,1,0,0|2,0,0]=4 23915 B13R2.5331 Fc1cccc(c1)SCC2CC2 62a_100000756562_100000685547 [0,1,0,1,0,0|2,0,0]=4 23916 B13R2.5331 Fc1cccc(c1)SCC2CO2 62a_100000685547_102125554688 [0,1,0,1,0,0|1,0,0]=3 23917 B13R2.5331 Fc1cccc(c1)SCC2CO2 62a_102125554688_100000685547 [0,1,0,1,0,0|1,0,0]=3 23918 B13R2.5331 Fc1cccc(c1)SCC2CS2 62a_100000031435_100000685547 [0,1,0,1,0,0|1,1,0]=4 23919 B13R2.5331 Fc1cccc(c1)SCC2CS2 62a_100000685547_100000031435 [0,1,0,1,0,0|1,1,0]=4 23920 B13R2.5331 Fc1cccc(c1)SC[C@@H]2CO2 62a_100000685547_100000745022 [0,1,0,1,0,0|1,0,0]=3 23921 B13R2.5331 Fc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000685547 [0,1,0,1,0,0|1,0,0]=3 23922 B13R2.5331 Fc1cccc(n1)OCC2CO2 34a_100011432558_102125554688 [0,1,0,1,0,0|2,0,0]=4 23923 B13R2.5331 Fc1cccc(n1)SCC2CO2 62a_100009815982_102125554688 [0,1,0,1,0,0|2,0,0]=4 23924 B13R2.5331 Fc1cccc(n1)SCC2CO2 62a_102125554688_100009815982 [0,1,0,1,0,0|2,0,0]=4 23925 B13R2.5331 Fc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100009815982 [0,1,0,1,0,0|2,0,0]=4 23926 B13R2.5331 Fc1cccc(n1)SC[C@@H]2CO2 62a_100009815982_100000745022 [0,1,0,1,0,0|2,0,0]=4 23927 B13R2.5331 Fc1ccnc(c1)SCC2CO2 62a_100000764206_102125554688 [0,1,0,1,0,0|2,0,0]=4 23928 B13R2.5331 Fc1ccnc(c1)SCC2CO2 62a_102125554688_100000764206 [0,1,0,1,0,0|2,0,0]=4 23929 B13R2.5331 Fc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000764206 [0,1,0,1,0,0|2,0,0]=4 23930 B13R2.5331 Fc1ccnc(c1)SC[C@@H]2CO2 62a_100000764206_100000745022 [0,1,0,1,0,0|2,0,0]=4 23931 B13R2.5331 Fc1cncc(c1)OCC2CO2 34a_100011830296_102125554688 [0,1,0,1,0,0|2,0,0]=4 23932 B13R2.5331 Fc1cncc(c1)OCC2CO2 7a_100011830296_102125554688 [0,1,0,1,0,0|2,0,0]=4 23933 B13R2.5331 Fc1cncc(c1)OC[C@@H]2CO2 7a_100011830296_100000745022 [0,1,0,1,0,0|2,0,0]=4 23934 B13R2.5331 Fc1cncc(c1)SCC2CO2 62a_100000744099_102125554688 [0,1,0,1,0,0|2,0,0]=4 23935 B13R2.5331 Fc1cncc(c1)SCC2CO2 62a_102125554688_100000744099 [0,1,0,1,0,0|2,0,0]=4 23936 B13R2.5331 Fc1cncc(c1)SC[C@@H]2CO2 62a_100000744099_100000745022 [0,1,0,1,0,0|2,0,0]=4 23937 B13R2.5331 Fc1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000744099 [0,1,0,1,0,0|2,0,0]=4 23938 B13R2.5331 Ic1cccc(c1)CNC2CC2 34a_100000106179_100000211595 [0,1,0,1,0,0|2,0,0]=4 23939 B13R2.5331 Ic1cccc(c1)CNC2CC2 34a_100000212008_100011218688 [0,1,0,1,0,0|2,0,0]=4 23940 B13R2.5331 Ic1cccc(c1)COC2CC2 34a_100011215336_100000211595 [0,1,0,1,0,0|2,0,0]=4 23941 B13R2.5331 Ic1cccc(c1)CSC2CC2 62a_100011218688_100000211595 [0,1,0,1,0,0|2,0,0]=4 23942 B13R2.5331 Ic1cccc(c1)NCC2CC2 34a_100000211102_100000742324 [0,1,0,1,0,0|2,0,0]=4 23943 B13R2.5331 Ic1cccc(c1)NCC2CO2 34a_100000211102_102125554688 [0,1,0,1,0,0|1,0,0]=3 23944 B13R2.5331 Ic1cccc(c1)OCC2CC2 34a_100000211634_100000742324 [0,1,0,1,0,0|2,0,0]=4 23945 B13R2.5331 Ic1cccc(c1)OCC2CC2 7a_100000211634_100000742324 [0,1,0,1,0,0|2,0,0]=4 23946 B13R2.5331 Ic1cccc(c1)OCC2CO2 34a_100000211634_102125554688 [0,1,0,1,0,0|1,0,0]=3 23947 B13R2.5331 Ic1cccc(c1)OCC2CO2 7a_100000211634_102125554688 [0,1,0,1,0,0|1,0,0]=3 23948 B13R2.5331 Ic1cccc(c1)OCC2CS2 7a_100000211634_100000031435 [0,1,0,1,0,0|1,1,0]=4 23949 B13R2.5331 Ic1cccc(c1)OC[C@@H]2CO2 7a_100000211634_100000745022 [0,1,0,1,0,0|1,0,0]=3 23950 B13R2.5331 Nc1cc(ccn1)OCC2CO2 34a_100011834064_102125554688 [0,1,0,1,0,0|2,0,0]=4 23951 B13R2.5331 Nc1cc(ccn1)SCC2CO2 62a_100000049665_102125554688 [0,1,0,1,0,0|2,0,0]=4 23952 B13R2.5331 Nc1cc(ccn1)SCC2CO2 62a_102125554688_100000049665 [0,1,0,1,0,0|2,0,0]=4 23953 B13R2.5331 Nc1cc(ccn1)SC[C@@H]2CO2 62a_100000049665_100000745022 [0,1,0,1,0,0|2,0,0]=4 23954 B13R2.5331 Nc1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100000049665 [0,1,0,1,0,0|2,0,0]=4 23955 B13R2.5331 Nc1cccc(c1)COC2CC2 34a_100000211919_100000211595 [0,1,0,1,0,0|2,0,0]=4 23956 B13R2.5331 Nc1cccc(c1)OCC2CC2 34a_100000210217_100000742324 [0,1,0,1,0,0|2,0,0]=4 23957 B13R2.5331 Nc1cccc(c1)OCC2CO2 34a_100000210217_102125554688 [0,1,0,1,0,0|1,0,0]=3 23958 B13R2.5331 Nc1cccc(c1)SCC2CC2 62a_100000210019_100000742324 [0,1,0,1,0,0|2,0,0]=4 23959 B13R2.5331 Nc1cccc(c1)SCC2CC2 62a_100000756562_100000210019 [0,1,0,1,0,0|2,0,0]=4 23960 B13R2.5331 Nc1cccc(c1)SCC2CO2 62a_100000210019_102125554688 [0,1,0,1,0,0|1,0,0]=3 23961 B13R2.5331 Nc1cccc(c1)SCC2CO2 62a_102125554688_100000210019 [0,1,0,1,0,0|1,0,0]=3 23962 B13R2.5331 Nc1cccc(c1)SCC2CS2 62a_100000031435_100000210019 [0,1,0,1,0,0|1,1,0]=4 23963 B13R2.5331 Nc1cccc(c1)SCC2CS2 62a_100000210019_100000031435 [0,1,0,1,0,0|1,1,0]=4 23964 B13R2.5331 Nc1cccc(c1)SC[C@@H]2CO2 62a_100000210019_100000745022 [0,1,0,1,0,0|1,0,0]=3 23965 B13R2.5331 Nc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000210019 [0,1,0,1,0,0|1,0,0]=3 23966 B13R2.5331 Nc1cccc(n1)SCC2CO2 62a_100000740741_102125554688 [0,1,0,1,0,0|2,0,0]=4 23967 B13R2.5331 Nc1cccc(n1)SCC2CO2 62a_102125554688_100000740741 [0,1,0,1,0,0|2,0,0]=4 23968 B13R2.5331 Nc1cccc(n1)SC[C@@H]2CO2 62a_100000740741_100000745022 [0,1,0,1,0,0|2,0,0]=4 23969 B13R2.5331 Nc1cccc(n1)SC[C@@H]2CO2 62a_100000745022_100000740741 [0,1,0,1,0,0|2,0,0]=4 23970 B13R2.5331 Nc1ccnc(c1)SCC2CO2 62a_100009814236_102125554688 [0,1,0,1,0,0|2,0,0]=4 23971 B13R2.5331 Nc1ccnc(c1)SCC2CO2 62a_102125554688_100009814236 [0,1,0,1,0,0|2,0,0]=4 23972 B13R2.5331 Nc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100009814236 [0,1,0,1,0,0|2,0,0]=4 23973 B13R2.5331 Nc1ccnc(c1)SC[C@@H]2CO2 62a_100009814236_100000745022 [0,1,0,1,0,0|2,0,0]=4 23974 B13R2.5331 Nc1cncc(c1)OCC2CO2 34a_100011997051_102125554688 [0,1,0,1,0,0|2,0,0]=4 23975 B13R2.5331 Nc1cncc(c1)SCC2CO2 62a_100000687067_102125554688 [0,1,0,1,0,0|2,0,0]=4 23976 B13R2.5331 Nc1cncc(c1)SCC2CO2 62a_102125554688_100000687067 [0,1,0,1,0,0|2,0,0]=4 23977 B13R2.5331 Nc1cncc(c1)SC[C@@H]2CO2 62a_100000687067_100000745022 [0,1,0,1,0,0|2,0,0]=4 23978 B13R2.5331 Nc1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000687067 [0,1,0,1,0,0|2,0,0]=4 23979 B13R2.5331 O=c1cc(cc[nH]1)OCC2CO2 34a_100000032262_102125554688 [0,1,0,1,0,0|2,0,0]=4 23980 B13R2.5331 O=c1cc(cc[nH]1)SCC2CO2 62a_100009816521_102125554688 [0,1,0,1,0,0|2,0,0]=4 23981 B13R2.5331 O=c1cc(cc[nH]1)SCC2CO2 62a_102125554688_100009816521 [0,1,0,1,0,0|2,0,0]=4 23982 B13R2.5331 O=c1cc(cc[nH]1)SC[C@@H]2CO2 62a_100000745022_100009816521 [0,1,0,1,0,0|2,0,0]=4 23983 B13R2.5331 O=c1cc(cc[nH]1)SC[C@@H]2CO2 62a_100009816521_100000745022 [0,1,0,1,0,0|2,0,0]=4 23984 B13R2.5331 O=c1cc[nH]c(c1)SCC2CO2 62a_100009817434_102125554688 [0,1,0,1,0,0|2,0,0]=4 23985 B13R2.5331 O=c1cc[nH]c(c1)SC[C@@H]2CO2 62a_100009817434_100000745022 [0,1,0,1,0,0|2,0,0]=4 23986 B13R2.5331 O=c1cccc([nH]1)OCC2CO2 34a_100000033347_102125554688 [0,1,0,1,0,0|2,0,0]=4 23987 B13R2.5331 O=c1cccc([nH]1)SCC2CO2 62a_102125554688_100000752884 [0,1,0,1,0,0|2,0,0]=4 23988 B13R2.5331 O=c1cccc([nH]1)SC[C@@H]2CO2 62a_100000745022_100000752884 [0,1,0,1,0,0|2,0,0]=4 23989 B13R2.5331 Oc1cccc(c1)CNC2CC2 271570a_203496583355_100000745908 [0,1,0,1,0,0|2,0,0]=4 23990 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000212008_100011660834 [0,1,0,1,0,0|2,0,0]=4 23991 B13R2.5331 Oc1cccc(c1)CNC2CC2 34a_100000743036_100000211595 [0,1,0,1,0,0|2,0,0]=4 23992 B13R2.5331 Oc1cccc(c1)CSC2CC2 62a_100011660834_100000211595 [0,1,0,1,0,0|2,0,0]=4 23993 B13R2.5331 Oc1cccc(c1)NCC2CC2 34a_100000210217_100000742324 [0,1,0,1,0,0|2,0,0]=4 23994 B13R2.5331 Oc1cccc(c1)NCC2CO2 34a_100000210217_102125554688 [0,1,0,1,0,0|1,0,0]=3 23995 B13R2.5331 Oc1cccc(c1)OCC2CC2 271570a_203496583355_100011316337 [0,1,0,1,0,0|2,0,0]=4 23996 B13R2.5331 Oc1cccc(c1)SCC2CC2 271570a_203496583355_200010212085 [0,1,0,1,0,0|2,0,0]=4 23997 B13R2.5331 Oc1cccc(c1)SCC2CC2 62a_100000756562_100000211634 [0,1,0,1,0,0|2,0,0]=4 23998 B13R2.5331 Oc1cccc(c1)SCC2CO2 62a_102125554688_100000211634 [0,1,0,1,0,0|1,0,0]=3 23999 B13R2.5331 Oc1cccc(c1)SCC2CS2 62a_100000031435_100000211634 [0,1,0,1,0,0|1,1,0]=4 24000 B13R2.5331 Oc1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100000211634 [0,1,0,1,0,0|1,0,0]=3 24001 B13R2.5331 Oc1ccnc(c1)SCC2CO2 62a_102125554688_100000762945 [0,1,0,1,0,0|2,0,0]=4 24002 B13R2.5331 Oc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000762945 [0,1,0,1,0,0|2,0,0]=4 24003 B13R2.5331 Oc1cncc(c1)SCC2CO2 62a_100000754920_102125554688 [0,1,0,1,0,0|2,0,0]=4 24004 B13R2.5331 Oc1cncc(c1)SCC2CO2 62a_102125554688_100000754920 [0,1,0,1,0,0|2,0,0]=4 24005 B13R2.5331 Oc1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000754920 [0,1,0,1,0,0|2,0,0]=4 24006 B13R2.5331 Oc1cncc(c1)SC[C@@H]2CO2 62a_100000754920_100000745022 [0,1,0,1,0,0|2,0,0]=4 24007 B13R2.5331 [O-][n+]1cccc(c1)OCC2CO2 34a_100000039713_102125554688 [0,1,0,1,0,0|2,0,0]=4 24008 B13R2.5331 [O-][n+]1cccc(c1)OCC2CO2 7a_100000039713_102125554688 [0,1,0,1,0,0|2,0,0]=4 24009 B13R2.5331 [O-][n+]1cccc(c1)OC[C@@H]2CO2 7a_100000039713_100000745022 [0,1,0,1,0,0|2,0,0]=4 24010 B13R2.5331 [O-][n+]1cccc(c1)SCC2CO2 62a_102125554688_100009815978 [0,1,0,1,0,0|2,0,0]=4 24011 B13R2.5331 [O-][n+]1cccc(c1)SC[C@@H]2CO2 62a_100000745022_100009815978 [0,1,0,1,0,0|2,0,0]=4 24012 B13R2.5331 [S]c1cccc(c1)SCC2CC2 62a_100000756562_114929384022 [0,1,0,1,0,0|2,0,0]=4 24013 B13R2.5331 [S]c1cccc(c1)SCC2CC2 62a_114929384022_100000742324 [0,1,0,1,0,0|2,0,0]=4 24014 B13R2.5331 [S]c1cccc(c1)SCC2CO2 62a_102125554688_114929384022 [0,1,0,1,0,0|1,0,0]=3 24015 B13R2.5331 [S]c1cccc(c1)SCC2CO2 62a_114929384022_102125554688 [0,1,0,1,0,0|1,0,0]=3 24016 B13R2.5331 [S]c1cccc(c1)SCC2CS2 62a_100000031435_114929384022 [0,1,0,1,0,0|1,1,0]=4 24017 B13R2.5331 [S]c1cccc(c1)SCC2CS2 62a_114929384022_100000031435 [0,1,0,1,0,0|1,1,0]=4 24018 B13R2.5331 [S]c1cccc(c1)SC[C@@H]2CO2 62a_100000745022_114929384022 [0,1,0,1,0,0|1,0,0]=3 24019 B13R2.5331 [S]c1cccc(c1)SC[C@@H]2CO2 62a_114929384022_100000745022 [0,1,0,1,0,0|1,0,0]=3 24020 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,0,1,0,1,0|2,0,0]=4 24021 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,0,1,0,1,0|1,0,0]=3 24022 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,0,0,0,1,0|2,0,0]=4 24023 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [1,0,0,0,1,0|2,0,0]=4 24024 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,1,0|1,0,0]=3 24025 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,1,0|1,0,0]=3 24026 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,1,0|1,0,0]=3 24027 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,1,0|1,0,0]=3 24028 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [1,0,0,0,1,0|2,0,0]=4 24029 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [1,0,0,0,1,0|2,0,0]=4 24030 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,1,0|2,0,0]=4 24031 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,0,0,0,1,0|2,0,0]=4 24032 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [1,0,0,0,1,0|2,0,0]=4 24033 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [1,0,0,0,1,0|2,0,0]=4 24034 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,0,0,0,1,0|2,0,0]=4 24035 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,0,0,0,1,0|2,0,0]=4 24036 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,1,0|2,0,0]=4 24037 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,0,0,0,1,0|2,0,0]=4 24038 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [1,0,0,0,1,0|2,0,0]=4 24039 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [1,0,0,0,1,0|2,0,0]=4 24040 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,1,0|2,0,0]=4 24041 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,1,0|2,0,0]=4 24042 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,0,0,0,1,0|2,0,0]=4 24043 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,0,0,0,1,0|2,0,0]=4 24044 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [1,0,0,0,1,0|2,0,0]=4 24045 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [1,0,0,0,1,0|2,0,0]=4 24046 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [1,0,0,0,1,0|2,0,0]=4 24047 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [1,0,0,0,1,0|2,0,0]=4 24048 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,1,0|2,0,0]=4 24049 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,1,0|2,0,0]=4 24050 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,1,0|2,0,0]=4 24051 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,1,0|2,0,0]=4 24052 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,0,0,0,1,0|2,0,0]=4 24053 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,0,0,0,1,0|2,0,0]=4 24054 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,0,0,0,1,0|2,0,0]=4 24055 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [1,0,0,0,1,0|2,0,0]=4 24056 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [1,0,0,0,1,0|2,0,0]=4 24057 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [1,0,0,0,1,0|2,0,0]=4 24058 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [1,0,0,0,1,0|2,0,0]=4 24059 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [1,0,0,0,1,0|2,0,0]=4 24060 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [1,0,0,0,1,0|2,0,0]=4 24061 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [1,0,0,0,1,0|2,0,0]=4 24062 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [1,0,0,0,1,0|2,0,0]=4 24063 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [1,0,0,0,1,0|2,0,0]=4 24064 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,1,0|2,0,0]=4 24065 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,1,0|2,0,0]=4 24066 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [1,0,0,0,1,0|2,0,0]=4 24067 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [1,0,0,0,1,0|2,0,0]=4 24068 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [1,0,0,0,1,0|2,0,0]=4 24069 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [1,0,0,0,1,0|2,0,0]=4 24070 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [1,0,0,0,1,0|2,0,0]=4 24071 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,1,0|2,0,0]=4 24072 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,1,0|2,0,0]=4 24073 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,1,0|2,0,0]=4 24074 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,1,0|2,0,0]=4 24075 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,1,0|2,0,0]=4 24076 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,1,0|2,0,0]=4 24077 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,1,0|2,0,0]=4 24078 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [1,0,0,0,1,0|2,0,0]=4 24079 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [1,0,0,0,1,0|2,0,0]=4 24080 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [1,0,0,0,1,0|2,0,0]=4 24081 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [1,0,0,0,1,0|2,0,0]=4 24082 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [1,0,0,0,1,0|2,0,0]=4 24083 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 24084 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,1,0|2,0,0]=4 24085 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 24086 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,1,0|2,0,0]=4 24087 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,1,0|2,0,0]=4 24088 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,1,0|2,0,0]=4 24089 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,1,0|2,0,0]=4 24090 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [1,0,0,0,1,0|2,0,0]=4 24091 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [1,0,0,0,1,0|2,0,0]=4 24092 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [1,0,0,0,1,0|2,0,0]=4 24093 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [1,0,0,0,1,0|2,0,0]=4 24094 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,0,0,0,1,0|2,0,0]=4 24095 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,0,0,0,1,0|2,0,0]=4 24096 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,0,0,0,1,0|2,0,0]=4 24097 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,0,0,0,1,0|2,0,0]=4 24098 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [1,0,0,0,1,0|2,0,0]=4 24099 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [1,0,0,0,1,0|2,0,0]=4 24100 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [1,0,0,0,1,0|2,0,0]=4 24101 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [1,0,0,0,1,0|2,0,0]=4 24102 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,1,0|2,0,0]=4 24103 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,1,0|2,0,0]=4 24104 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,1,0|2,0,0]=4 24105 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,1,0|2,0,0]=4 24106 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [1,0,0,0,1,0|2,0,0]=4 24107 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [1,0,0,0,1,0|2,0,0]=4 24108 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [1,0,0,0,1,0|2,0,0]=4 24109 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 24110 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 24111 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,1,0|2,0,0]=4 24112 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,1,0|2,0,0]=4 24113 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,1,0|2,0,0]=4 24114 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,1,0|2,0,0]=4 24115 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [1,0,0,0,1,0|2,0,0]=4 24116 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [1,0,0,0,1,0|2,0,0]=4 24117 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,2,0|1,0,1]=4 24118 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,2,0|0,0,2]=4 24119 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,2,0|2,0,0]=4 24120 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,2,0|2,0,0]=4 24121 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,2,0|2,0,0]=4 24122 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,2,0|2,0,0]=4 24123 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,2,0|2,0,0]=4 24124 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,2,0|2,0,0]=4 24125 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,2,0|0,0,2]=4 24126 B11R0.45 C=CCC(C=C)OCCC(C)O 34a_100000038011_100012276601 [0,0,1,0,0,1|0,0,2]=4 24127 B11R0.45 C=CCC(C=C)OCCC(C)O 7a_100000038011_100012276601 [0,0,1,0,0,1|0,0,2]=4 24128 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [0,0,0,0,0,2|1,0,1]=4 24129 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [0,0,0,0,0,2|1,0,1]=4 24130 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,0,0,0,0,2|1,0,1]=4 24131 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,0,0,0,0,2|1,0,1]=4 24132 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,0,0,0,0,2|1,0,1]=4 24133 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [0,0,0,0,0,2|1,0,1]=4 24134 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [0,0,0,0,0,2|1,0,1]=4 24135 B13R1.337 C=C(C)CNCCc1ccccc1 2230a_100000106460_100000748629 [0,0,0,0,0,2|1,0,1]=4 24136 B13R1.337 C=C(C)CNCCc1ccccc1 34a_100000106460_100000748629 [0,0,0,0,0,2|1,0,1]=4 24137 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,0,0,0,0,2|1,0,1]=4 24138 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,0,0,0,0,2|1,0,1]=4 24139 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,0,0,0,0,2|1,0,1]=4 24140 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000748629_100011218657 [0,0,0,0,0,2|1,0,1]=4 24141 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000765856_100000211660 [0,0,0,0,0,2|1,0,1]=4 24142 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100000748629_100011218342 [0,0,0,0,0,2|1,0,1]=4 24143 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100011218342_100000211660 [0,0,0,0,0,2|1,0,1]=4 24144 B13R1.337 CC(=CCCNc1ccccc1)C 34a_100000106764_100011217483 [0,0,0,0,0,2|1,0,1]=4 24145 B13R1.337 CC(=CCCOc1ccccc1)C 34a_100000210340_100011217483 [0,0,0,0,0,2|1,0,1]=4 24146 B13R1.337 CC(=CCCOc1ccccc1)C 7a_100000210340_100011217483 [0,0,0,0,0,2|1,0,1]=4 24147 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100000719477_100011217483 [0,0,0,0,0,2|1,0,1]=4 24148 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100011217483_100000041952 [0,0,0,0,0,2|1,0,1]=4 24149 B13R1.337 CC(=CCNCc1ccccc1)C 2230a_100015324214_100000761012 [0,0,0,0,0,2|1,0,1]=4 24150 B13R1.337 CC(=CCNCc1ccccc1)C 270004a_100000718196_100015611070 [0,0,0,0,0,2|1,0,1]=4 24151 B13R1.337 CC(=CCNCc1ccccc1)C 34a_100000718196_100015291786 [0,0,0,0,0,2|1,0,1]=4 24152 B13R1.337 CC(=CCNCc1ccccc1)C 34a_100015324214_100000761012 [0,0,0,0,0,2|1,0,1]=4 24153 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [0,0,0,0,0,2|1,0,1]=4 24154 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [0,0,0,0,0,2|1,0,1]=4 24155 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [0,0,0,0,0,2|1,0,1]=4 24156 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000211182_100000761012 [0,0,0,0,0,2|1,0,1]=4 24157 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000761012_100015291786 [0,0,0,0,0,2|1,0,1]=4 24158 B13R1.337 CC(=O)C=CCCc1ccccc1 1458a_100016484021_200000210301 [0,0,0,0,0,2|0,0,2]=4 24159 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,0,0,0,0,2|0,0,2]=4 24160 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,0,0,0,0,2|0,0,2]=4 24161 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,0,0,0,0,2|0,0,2]=4 24162 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,0,0,0,0,2|0,0,2]=4 24163 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,0,0,0,0,2|0,0,2]=4 24164 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,0,0,0,0,2|0,0,2]=4 24165 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,0,0,0,0,2|0,0,2]=4 24166 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,0,0,0,0,2|0,0,2]=4 24167 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,0,0,0,0,2|0,0,2]=4 24168 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,0,0,0,0,2|0,0,2]=4 24169 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,0,0,0,0,2|0,0,2]=4 24170 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,0,0,0,0,2|0,0,2]=4 24171 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,0,0,0,0,2|0,0,2]=4 24172 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,0,0,0,0,2|0,0,2]=4 24173 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,0,0,0,0,2|0,0,2]=4 24174 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,0,0,0,0,2|0,0,2]=4 24175 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,0,0,0,0,2|0,0,2]=4 24176 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,0,0,0,0,2|0,0,2]=4 24177 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,0,0,0,0,2|0,0,2]=4 24178 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,0,0,0,0,2|0,0,2]=4 24179 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,0,0,0,0,2|0,0,2]=4 24180 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,0,0,0,0,2|0,0,2]=4 24181 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,0,0,0,0,2|0,0,2]=4 24182 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,0,0,0,0,2|0,0,2]=4 24183 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,0,0,0,0,2|0,0,2]=4 24184 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [0,0,0,0,0,2|0,0,2]=4 24185 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [0,0,0,0,0,2|0,0,2]=4 24186 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [0,0,0,0,0,2|0,0,2]=4 24187 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [0,0,0,0,0,2|0,0,2]=4 24188 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [0,0,0,0,0,2|0,0,2]=4 24189 B13R1.337 CC(=O)NCCSc1ccccc1 240690a_100000189519_100015343762 [0,0,0,0,0,2|0,0,2]=4 24190 B13R1.337 CC(=O)NCCSc1ccccc1 527a_100000189519_100103153847 [0,0,0,0,0,2|0,0,2]=4 24191 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000189650_100000041952 [0,0,0,0,0,2|0,0,2]=4 24192 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000719477_100000189650 [0,0,0,0,0,2|0,0,2]=4 24193 B13R1.337 CC(=O)NNCCc1ccccc1 22a_100000740470_100000070787 [0,0,0,0,0,2|0,0,2]=4 24194 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [0,0,0,0,0,2|0,0,2]=4 24195 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [0,0,0,0,0,2|0,0,2]=4 24196 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [0,0,0,0,0,2|0,0,2]=4 24197 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [0,0,0,0,0,2|0,0,2]=4 24198 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [0,0,0,0,0,2|0,0,2]=4 24199 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [0,0,0,0,0,2|0,0,2]=4 24200 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,0,0,0,0,2|0,0,2]=4 24201 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [0,0,0,0,0,2|0,0,2]=4 24202 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [0,0,0,0,0,2|0,0,2]=4 24203 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,0,0,0,0,2|1,0,0]=3 24204 B13R1.337 CC(Br)CCOCc1ccccn1 34a_100009893172_100000721315 [0,0,0,0,0,2|2,0,0]=4 24205 B13R1.337 CC(Br)CCOCc1cccnc1 34a_100009893172_100000733263 [0,0,0,0,0,2|2,0,0]=4 24206 B13R1.337 CC(Br)COCCc1ccccc1 34a_100012180447_100000765856 [0,0,0,0,0,2|1,0,0]=3 24207 B13R1.337 CC(C)C=NNCc1ccccc1 4a_100000007032_100000210432 [0,0,0,0,0,2|1,0,1]=4 24208 B13R1.337 CC(C)CC=NNc1ccccc1 4a_100015195140_100000185833 [0,0,0,0,0,2|1,0,1]=4 24209 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [0,0,0,0,0,2|1,0,0]=3 24210 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [0,0,0,0,0,2|1,0,0]=3 24211 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [0,0,0,0,0,2|1,0,0]=3 24212 B13R1.337 CC(C)CCCOc1cccnc1 34a_100000210849_100011214892 [0,0,0,0,0,2|2,0,0]=4 24213 B13R1.337 CC(C)CCCOc1cccnc1 7a_100000210849_100011214892 [0,0,0,0,0,2|2,0,0]=4 24214 B13R1.337 CC(C)CCCOc1ccncc1 34a_100000212176_100011214892 [0,0,0,0,0,2|2,0,0]=4 24215 B13R1.337 CC(C)CCCSc1ccccc1 62a_100000719477_100011214892 [0,0,0,0,0,2|1,0,0]=3 24216 B13R1.337 CC(C)CCCSc1ccccc1 62a_100011214892_100000041952 [0,0,0,0,0,2|1,0,0]=3 24217 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011214892_100011216584 [0,0,0,0,0,2|2,0,0]=4 24218 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011216584_100011214892 [0,0,0,0,0,2|2,0,0]=4 24219 B13R1.337 CC(C)CCCSc1cccnc1 62a_100000210063_100011214892 [0,0,0,0,0,2|2,0,0]=4 24220 B13R1.337 CC(C)CCCSc1cccnc1 62a_100011214892_100000210063 [0,0,0,0,0,2|2,0,0]=4 24221 B13R1.337 CC(C)CCCSc1ccncc1 62a_100000728582_100011214892 [0,0,0,0,0,2|2,0,0]=4 24222 B13R1.337 CC(C)CCCSc1ccncc1 62a_100011214892_100000728582 [0,0,0,0,0,2|2,0,0]=4 24223 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [0,0,0,0,0,2|1,0,0]=3 24224 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [0,0,0,0,0,2|1,0,0]=3 24225 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [0,0,0,0,0,2|1,0,0]=3 24226 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [0,0,0,0,0,2|1,0,0]=3 24227 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [0,0,0,0,0,2|1,0,0]=3 24228 B13R1.337 CC(C)CCNCc1ccccn1 207a_100000210545_100000209966 [0,0,0,0,0,2|2,0,0]=4 24229 B13R1.337 CC(C)CCNCc1ccccn1 270004a_100000210545_100000209966 [0,0,0,0,0,2|2,0,0]=4 24230 B13R1.337 CC(C)CCNCc1cccnc1 207a_100000210545_100000209961 [0,0,0,0,0,2|2,0,0]=4 24231 B13R1.337 CC(C)CCNCc1cccnc1 269862a_100000210453_100000185833 [0,0,0,0,0,2|2,0,0]=4 24232 B13R1.337 CC(C)CCNCc1cccnc1 270004a_100000210545_100000209961 [0,0,0,0,0,2|2,0,0]=4 24233 B13R1.337 CC(C)CCNCc1ccncc1 207a_100000210545_100000186114 [0,0,0,0,0,2|2,0,0]=4 24234 B13R1.337 CC(C)CCNCc1ccncc1 269862a_100000210450_100000185833 [0,0,0,0,0,2|2,0,0]=4 24235 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,0,0,0,0,2|1,0,0]=3 24236 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,0,0,0,0,2|1,0,0]=3 24237 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,0,0,0,0,2|1,0,0]=3 24238 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,0,0,0,0,2|1,0,0]=3 24239 B13R1.337 CC(C)CCOCc1ccccn1 34a_100000210254_100000721315 [0,0,0,0,0,2|2,0,0]=4 24240 B13R1.337 CC(C)CCOCc1ccccn1 7a_100000210254_100000721315 [0,0,0,0,0,2|2,0,0]=4 24241 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [0,0,0,0,0,2|2,0,0]=4 24242 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [0,0,0,0,0,2|2,0,0]=4 24243 B13R1.337 CC(C)CCOCc1ccncc1 7a_100000210254_100015193705 [0,0,0,0,0,2|2,0,0]=4 24244 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [0,0,0,0,0,2|1,0,0]=3 24245 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [0,0,0,0,0,2|1,0,0]=3 24246 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000210312_100000721315 [0,0,0,0,0,2|2,0,0]=4 24247 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000721315_100000210312 [0,0,0,0,0,2|2,0,0]=4 24248 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000210312_100000741622 [0,0,0,0,0,2|2,0,0]=4 24249 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000741622_100000210312 [0,0,0,0,0,2|2,0,0]=4 24250 B13R1.337 CC(C)CCSCc1ccncc1 62a_100000210312_100015193705 [0,0,0,0,0,2|2,0,0]=4 24251 B13R1.337 CC(C)CCSCc1ccncc1 62a_100015193705_100000210312 [0,0,0,0,0,2|2,0,0]=4 24252 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [0,0,0,0,0,2|1,0,0]=3 24253 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [0,0,0,0,0,2|1,0,0]=3 24254 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [0,0,0,0,0,2|1,0,0]=3 24255 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [0,0,0,0,0,2|1,0,0]=3 24256 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [0,0,0,0,0,2|1,0,0]=3 24257 B13R1.337 CC(C)CNCCc1ccccn1 2230a_100000210953_100015183660 [0,0,0,0,0,2|2,0,0]=4 24258 B13R1.337 CC(C)CNCCc1ccccn1 270004a_100000211156_100000210432 [0,0,0,0,0,2|2,0,0]=4 24259 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000210953_200011713674 [0,0,0,0,0,2|2,0,0]=4 24260 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000736294_100000210760 [0,0,0,0,0,2|2,0,0]=4 24261 B13R1.337 CC(C)CNCCc1cccnc1 270004a_100000736294_100000210432 [0,0,0,0,0,2|2,0,0]=4 24262 B13R1.337 CC(C)CNCCc1ccncc1 2230a_100000210953_100000723409 [0,0,0,0,0,2|2,0,0]=4 24263 B13R1.337 CC(C)CNCCc1ccncc1 270004a_100000742849_100000210432 [0,0,0,0,0,2|2,0,0]=4 24264 B13R1.337 CC(C)CNCSc1ccccc1 2230a_100000210953_100011218342 [0,0,0,0,0,2|1,0,0]=3 24265 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [0,0,0,0,0,2|1,0,0]=3 24266 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [0,0,0,0,0,2|1,0,0]=3 24267 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [0,0,0,0,0,2|1,0,0]=3 24268 B13R1.337 CC(C)COCCc1ccccn1 34a_100000210271_100000210624 [0,0,0,0,0,2|2,0,0]=4 24269 B13R1.337 CC(C)COCCc1cccnc1 34a_100011217484_100000210624 [0,0,0,0,0,2|2,0,0]=4 24270 B13R1.337 CC(C)COCCc1ccncc1 34a_100011216225_100000210624 [0,0,0,0,0,2|2,0,0]=4 24271 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [0,0,0,0,0,2|1,0,0]=3 24272 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [0,0,0,0,0,2|1,0,0]=3 24273 B13R1.337 CC(C)CSCCc1ccccn1 62a_100000210624_100015183660 [0,0,0,0,0,2|2,0,0]=4 24274 B13R1.337 CC(C)CSCCc1ccccn1 62a_100015183660_100000210760 [0,0,0,0,0,2|2,0,0]=4 24275 B13R1.337 CC(C)CSCCc1cccnc1 62a_100000210624_200011713674 [0,0,0,0,0,2|2,0,0]=4 24276 B13R1.337 CC(C)CSCCc1cccnc1 62a_200011713674_100000210760 [0,0,0,0,0,2|2,0,0]=4 24277 B13R1.337 CC(C)CSCCc1ccncc1 62a_100000210624_100000723409 [0,0,0,0,0,2|2,0,0]=4 24278 B13R1.337 CC(C)CSCCc1ccncc1 62a_100000723409_100000210760 [0,0,0,0,0,2|2,0,0]=4 24279 B13R1.337 CC(C)CSCSc1ccccc1 62a_100000210624_100011218342 [0,0,0,0,0,2|1,0,0]=3 24280 B13R1.337 CC(C)CSCSc1ccccc1 62a_100011218342_100000210760 [0,0,0,0,0,2|1,0,0]=3 24281 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000210206 [0,0,0,0,0,2|1,0,1]=4 24282 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100138425928_100016265936 [0,0,0,0,0,2|1,0,1]=4 24283 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100020603302_100000210206 [0,0,0,0,0,2|1,0,1]=4 24284 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100138425928_100016265936 [0,0,0,0,0,2|1,0,1]=4 24285 B13R1.337 CC(C)NCC#Cc1ccccc1 2230a_100138425928_100011352542 [0,0,0,0,0,2|1,0,1]=4 24286 B13R1.337 CC(C)NCC#Cc1ccccc1 34a_100000735379_100000210206 [0,0,0,0,0,2|1,0,1]=4 24287 B13R1.337 CC(C)NCC#Cc1ccccc1 34a_100138425928_100011352542 [0,0,0,0,0,2|1,0,1]=4 24288 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100000211184_100000210206 [0,0,0,0,0,2|1,0,0]=3 24289 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100138425928_100000211621 [0,0,0,0,0,2|1,0,0]=3 24290 B13R1.337 CC(C)NCCCc1ccccc1 34a_100000211184_100000210206 [0,0,0,0,0,2|1,0,0]=3 24291 B13R1.337 CC(C)NCCCc1ccccc1 34a_100138425928_100000211621 [0,0,0,0,0,2|1,0,0]=3 24292 B13R1.337 CC(C)NCCCc1cccnc1 2230a_100011532358_100000210206 [0,0,0,0,0,2|2,0,0]=4 24293 B13R1.337 CC(C)NCCCc1cccnc1 34a_100011532358_100000210206 [0,0,0,0,0,2|2,0,0]=4 24294 B13R1.337 CC(C)NCCCc1ccncc1 2230a_100011275580_100000210206 [0,0,0,0,0,2|2,0,0]=4 24295 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100000174943_100000210206 [0,0,0,0,0,2|1,0,0]=3 24296 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100138425928_100000184471 [0,0,0,0,0,2|1,0,0]=3 24297 B13R1.337 CC(C)NCCOc1ccccc1 34a_100000174943_100000210206 [0,0,0,0,0,2|1,0,0]=3 24298 B13R1.337 CC(C)NCCOc1ccccc1 34a_100138425928_100000184471 [0,0,0,0,0,2|1,0,0]=3 24299 B13R1.337 CC(C)NCCOc1ccccn1 2230a_106741647558_100000210206 [0,0,0,0,0,2|2,0,0]=4 24300 B13R1.337 CC(C)NCCOc1cccnc1 2230a_100000754688_100000210206 [0,0,0,0,0,2|2,0,0]=4 24301 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100000189519_100000210206 [0,0,0,0,0,2|1,0,0]=3 24302 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100138425928_100000246102 [0,0,0,0,0,2|1,0,0]=3 24303 B13R1.337 CC(C)NCCSc1ccccc1 34a_100138425928_100000246102 [0,0,0,0,0,2|1,0,0]=3 24304 B13R1.337 CC(C)NCOCc1ccccc1 2230a_100138425928_100000763385 [0,0,0,0,0,2|1,0,0]=3 24305 B13R1.337 CC(C)NCOCc1ccccc1 34a_100138425928_100000763385 [0,0,0,0,0,2|1,0,0]=3 24306 B13R1.337 CC(C)NCSCc1ccccc1 2230a_100138425928_200011217039 [0,0,0,0,0,2|1,0,0]=3 24307 B13R1.337 CC(C)NCSCc1ccccc1 34a_100138425928_200011217039 [0,0,0,0,0,2|1,0,0]=3 24308 B13R1.337 CC(C)NN=CCc1ccccc1 4a_100000741168_100000209964 [0,0,0,0,0,2|1,0,1]=4 24309 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000210206 [0,0,0,0,0,2|1,0,1]=4 24310 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000212225_100016265936 [0,0,0,0,0,2|1,0,1]=4 24311 B13R1.337 CC(C)OCC#Cc1ccccc1 34a_100000212225_100011352542 [0,0,0,0,0,2|1,0,1]=4 24312 B13R1.337 CC(C)OCC#Cc1ccccc1 34a_100011217464_100000210206 [0,0,0,0,0,2|1,0,1]=4 24313 B13R1.337 CC(C)OCC#Cc1ccccc1 7a_100011217464_100000210206 [0,0,0,0,0,2|1,0,1]=4 24314 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [0,0,0,0,0,2|1,0,0]=3 24315 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [0,0,0,0,0,2|1,0,0]=3 24316 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [0,0,0,0,0,2|1,0,0]=3 24317 B13R1.337 CC(C)OCCCc1ccccn1 34a_100011215068_100000210206 [0,0,0,0,0,2|2,0,0]=4 24318 B13R1.337 CC(C)OCCCc1cccnc1 34a_100000211284_100000210206 [0,0,0,0,0,2|2,0,0]=4 24319 B13R1.337 CC(C)OCCCc1ccncc1 34a_100000210659_100000210206 [0,0,0,0,0,2|2,0,0]=4 24320 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000106764_100000211751 [0,0,0,0,0,2|1,0,0]=3 24321 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000211345_100000210206 [0,0,0,0,0,2|1,0,0]=3 24322 B13R1.337 CC(C)OCCNc1ccncc1 34a_200011243140_100000210206 [0,0,0,0,0,2|2,0,0]=4 24323 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210260_100000210206 [0,0,0,0,0,2|1,0,0]=3 24324 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210340_100000211751 [0,0,0,0,0,2|1,0,0]=3 24325 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000212225_100000184471 [0,0,0,0,0,2|1,0,0]=3 24326 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210260_100000210206 [0,0,0,0,0,2|1,0,0]=3 24327 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210340_100000211751 [0,0,0,0,0,2|1,0,0]=3 24328 B13R1.337 CC(C)OCCOc1cccnc1 34a_100000210849_100000211751 [0,0,0,0,0,2|2,0,0]=4 24329 B13R1.337 CC(C)OCCOc1cccnc1 7a_100000210849_100000211751 [0,0,0,0,0,2|2,0,0]=4 24330 B13R1.337 CC(C)OCCOc1ccncc1 34a_100000212176_100000211751 [0,0,0,0,0,2|2,0,0]=4 24331 B13R1.337 CC(C)OCCSc1ccccc1 34a_100000212225_100000246102 [0,0,0,0,0,2|1,0,0]=3 24332 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000211751_100000041952 [0,0,0,0,0,2|1,0,0]=3 24333 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000719477_100000211751 [0,0,0,0,0,2|1,0,0]=3 24334 B13R1.337 CC(C)OCCSc1ccccc1 7a_100000230494_100000210206 [0,0,0,0,0,2|1,0,0]=3 24335 B13R1.337 CC(C)OCCSc1ccccn1 62a_100000211751_100011216584 [0,0,0,0,0,2|2,0,0]=4 24336 B13R1.337 CC(C)OCCSc1ccccn1 62a_100011216584_100000211751 [0,0,0,0,0,2|2,0,0]=4 24337 B13R1.337 CC(C)OCCSc1ccccn1 7a_100000156319_100000210206 [0,0,0,0,0,2|2,0,0]=4 24338 B13R1.337 CC(C)OCCSc1cccnc1 62a_100000210063_100000211751 [0,0,0,0,0,2|2,0,0]=4 24339 B13R1.337 CC(C)OCCSc1cccnc1 62a_100000211751_100000210063 [0,0,0,0,0,2|2,0,0]=4 24340 B13R1.337 CC(C)OCCSc1ccncc1 62a_100000211751_100000728582 [0,0,0,0,0,2|2,0,0]=4 24341 B13R1.337 CC(C)OCCSc1ccncc1 62a_100000728582_100000211751 [0,0,0,0,0,2|2,0,0]=4 24342 B13R1.337 CC(C)OCNCc1ccccc1 2230a_100015324214_100000709892 [0,0,0,0,0,2|1,0,0]=3 24343 B13R1.337 CC(C)OCNCc1ccccc1 34a_100015324214_100000709892 [0,0,0,0,0,2|1,0,0]=3 24344 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000210790_100000709892 [0,0,0,0,0,2|1,0,0]=3 24345 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000212225_100000763385 [0,0,0,0,0,2|1,0,0]=3 24346 B13R1.337 CC(C)OCSCc1ccccc1 34a_100000212225_200011217039 [0,0,0,0,0,2|1,0,0]=3 24347 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000211182_100000709892 [0,0,0,0,0,2|1,0,0]=3 24348 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000709892_100015291786 [0,0,0,0,0,2|1,0,0]=3 24349 B13R1.337 CC(C)OCSCc1ccccn1 62a_100000709892_100000721315 [0,0,0,0,0,2|2,0,0]=4 24350 B13R1.337 CC(C)OCSCc1ccccn1 62a_100000721315_100000709892 [0,0,0,0,0,2|2,0,0]=4 24351 B13R1.337 CC(C)OCSCc1cccnc1 62a_100000709892_100000741622 [0,0,0,0,0,2|2,0,0]=4 24352 B13R1.337 CC(C)OCSCc1cccnc1 62a_100000741622_100000709892 [0,0,0,0,0,2|2,0,0]=4 24353 B13R1.337 CC(C)OCSCc1ccncc1 62a_100000709892_100015193705 [0,0,0,0,0,2|2,0,0]=4 24354 B13R1.337 CC(C)OCSCc1ccncc1 62a_100015193705_100000709892 [0,0,0,0,0,2|2,0,0]=4 24355 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100000210206_100016265936 [0,0,0,0,0,2|1,0,1]=4 24356 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100016265936_100000210206 [0,0,0,0,0,2|1,0,1]=4 24357 B13R1.337 CC(C)SCC#Cc1ccccc1 62a_100000210206_100011352542 [0,0,0,0,0,2|1,0,1]=4 24358 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000210206_100000211621 [0,0,0,0,0,2|1,0,0]=3 24359 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000211621_100000210206 [0,0,0,0,0,2|1,0,0]=3 24360 B13R1.337 CC(C)SCCNc1ccccc1 34a_100000106764_100000730970 [0,0,0,0,0,2|1,0,0]=3 24361 B13R1.337 CC(C)SCCOc1ccccc1 34a_100000210340_100000730970 [0,0,0,0,0,2|1,0,0]=3 24362 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000184471_100000210206 [0,0,0,0,0,2|1,0,0]=3 24363 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000210206_100000184471 [0,0,0,0,0,2|1,0,0]=3 24364 B13R1.337 CC(C)SCCOc1ccccc1 7a_100000210340_100000730970 [0,0,0,0,0,2|1,0,0]=3 24365 B13R1.337 CC(C)SCCOc1cccnc1 34a_100000210849_100000730970 [0,0,0,0,0,2|2,0,0]=4 24366 B13R1.337 CC(C)SCCOc1cccnc1 7a_100000210849_100000730970 [0,0,0,0,0,2|2,0,0]=4 24367 B13R1.337 CC(C)SCCOc1ccncc1 34a_100000212176_100000730970 [0,0,0,0,0,2|2,0,0]=4 24368 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000210206_100000246102 [0,0,0,0,0,2|1,0,0]=3 24369 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000246102_100000210206 [0,0,0,0,0,2|1,0,0]=3 24370 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000719477_100000730970 [0,0,0,0,0,2|1,0,0]=3 24371 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000730970_100000041952 [0,0,0,0,0,2|1,0,0]=3 24372 B13R1.337 CC(C)SCCSc1ccccn1 62a_100000730970_100011216584 [0,0,0,0,0,2|2,0,0]=4 24373 B13R1.337 CC(C)SCCSc1ccccn1 62a_100011216584_100000730970 [0,0,0,0,0,2|2,0,0]=4 24374 B13R1.337 CC(C)SCCSc1cccnc1 62a_100000210063_100000730970 [0,0,0,0,0,2|2,0,0]=4 24375 B13R1.337 CC(C)SCCSc1cccnc1 62a_100000730970_100000210063 [0,0,0,0,0,2|2,0,0]=4 24376 B13R1.337 CC(C)SCCSc1ccncc1 62a_100000728582_100000730970 [0,0,0,0,0,2|2,0,0]=4 24377 B13R1.337 CC(C)SCCSc1ccncc1 62a_100000730970_100000728582 [0,0,0,0,0,2|2,0,0]=4 24378 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000210206_100000763385 [0,0,0,0,0,2|1,0,0]=3 24379 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000763385_100000210206 [0,0,0,0,0,2|1,0,0]=3 24380 B13R1.337 CC(C)SCSCc1ccccc1 62a_100000210206_200011217039 [0,0,0,0,0,2|1,0,0]=3 24381 B13R1.337 CC(C)SCSCc1ccccc1 62a_200011217039_100000210206 [0,0,0,0,0,2|1,0,0]=3 24382 B13R1.337 CC(F)COCCc1ccccc1 34a_100015925927_100000765856 [0,0,0,0,0,2|1,0,0]=3 24383 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [0,0,0,0,0,2|0,0,0]=2 24384 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,0,0,0,0,2|0,0,0]=2 24385 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,0,0,0,0,2|0,0,0]=2 24386 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,0,0,0,0,2|1,0,0]=3 24387 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,0,0,0,0,2|1,0,0]=3 24388 B13R1.337 CC(O)CCCOc1ccncc1 34a_100000212176_200000718107 [0,0,0,0,0,2|1,0,0]=3 24389 B13R1.337 CC(O)CCCOc1ccnnc1 34a_100015204005_200000718107 [0,0,0,0,0,2|2,0,0]=4 24390 B13R1.337 CC(O)CCCOc1cncnc1 7a_100000754086_200000718107 [0,0,0,0,0,2|2,0,0]=4 24391 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [0,0,0,0,0,2|0,0,0]=2 24392 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [0,0,0,0,0,2|0,0,0]=2 24393 B13R1.337 CC(O)CCCSc1ccccn1 62a_100011216584_200000718107 [0,0,0,0,0,2|1,0,0]=3 24394 B13R1.337 CC(O)CCCSc1ccccn1 62a_200000718107_100011216584 [0,0,0,0,0,2|1,0,0]=3 24395 B13R1.337 CC(O)CCCSc1cccnc1 62a_100000210063_200000718107 [0,0,0,0,0,2|1,0,0]=3 24396 B13R1.337 CC(O)CCCSc1cccnc1 62a_200000718107_100000210063 [0,0,0,0,0,2|1,0,0]=3 24397 B13R1.337 CC(O)CCCSc1cccnn1 62a_100016991348_200000718107 [0,0,0,0,0,2|2,0,0]=4 24398 B13R1.337 CC(O)CCCSc1cccnn1 62a_200000718107_100016991348 [0,0,0,0,0,2|2,0,0]=4 24399 B13R1.337 CC(O)CCCSc1ccncc1 62a_100000728582_200000718107 [0,0,0,0,0,2|1,0,0]=3 24400 B13R1.337 CC(O)CCCSc1ccncc1 62a_200000718107_100000728582 [0,0,0,0,0,2|1,0,0]=3 24401 B13R1.337 CC(O)CCCSc1ccncn1 62a_100000703185_200000718107 [0,0,0,0,0,2|2,0,0]=4 24402 B13R1.337 CC(O)CCCSc1ccncn1 62a_200000718107_100000703185 [0,0,0,0,0,2|2,0,0]=4 24403 B13R1.337 CC(O)CCCSc1ccnnc1 62a_100000732662_200000718107 [0,0,0,0,0,2|2,0,0]=4 24404 B13R1.337 CC(O)CCCSc1ccnnc1 62a_200000718107_100000732662 [0,0,0,0,0,2|2,0,0]=4 24405 B13R1.337 CC(O)CCCSc1cnccn1 62a_100000211759_200000718107 [0,0,0,0,0,2|2,0,0]=4 24406 B13R1.337 CC(O)CCCSc1cnccn1 62a_200000718107_100000211759 [0,0,0,0,0,2|2,0,0]=4 24407 B13R1.337 CC(O)CCCSc1cncnc1 62a_100011206942_200000718107 [0,0,0,0,0,2|2,0,0]=4 24408 B13R1.337 CC(O)CCCSc1cncnc1 62a_200000718107_100011206942 [0,0,0,0,0,2|2,0,0]=4 24409 B13R1.337 CC(O)CCCSc1ncccn1 62a_100000211032_200000718107 [0,0,0,0,0,2|2,0,0]=4 24410 B13R1.337 CC(O)CCCSc1ncccn1 62a_200000718107_100000211032 [0,0,0,0,0,2|2,0,0]=4 24411 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,0,0,0,0,2|0,0,0]=2 24412 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,0,0,0,0,2|0,0,0]=2 24413 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,0,0,0,0,2|0,0,0]=2 24414 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,0,0,0,0,2|0,0,0]=2 24415 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,0,0,0,0,2|0,0,0]=2 24416 B13R1.337 CC(O)CCNCc1ccccn1 207a_200000755665_100000209966 [0,0,0,0,0,2|1,0,0]=3 24417 B13R1.337 CC(O)CCNCc1ccccn1 2230a_200000755665_100000721315 [0,0,0,0,0,2|1,0,0]=3 24418 B13R1.337 CC(O)CCNCc1ccccn1 270004a_200000755665_100000209966 [0,0,0,0,0,2|1,0,0]=3 24419 B13R1.337 CC(O)CCNCc1cccnc1 207a_200000755665_100000209961 [0,0,0,0,0,2|1,0,0]=3 24420 B13R1.337 CC(O)CCNCc1cccnc1 2230a_200000755665_100000741622 [0,0,0,0,0,2|1,0,0]=3 24421 B13R1.337 CC(O)CCNCc1cccnc1 270004a_200000755665_100000209961 [0,0,0,0,0,2|1,0,0]=3 24422 B13R1.337 CC(O)CCNCc1cccnn1 2230a_100159270163_100012276601 [0,0,0,0,0,2|2,0,0]=4 24423 B13R1.337 CC(O)CCNCc1cccnn1 2230a_200000755665_100016990269 [0,0,0,0,0,2|2,0,0]=4 24424 B13R1.337 CC(O)CCNCc1ccncc1 207a_200000755665_100000186114 [0,0,0,0,0,2|1,0,0]=3 24425 B13R1.337 CC(O)CCNCc1ccncc1 2230a_200000755665_100015193705 [0,0,0,0,0,2|1,0,0]=3 24426 B13R1.337 CC(O)CCNCc1ccnnc1 270004a_200000755665_100011934578 [0,0,0,0,0,2|2,0,0]=4 24427 B13R1.337 CC(O)CCNCc1cnccn1 2230a_200000755665_100016995436 [0,0,0,0,0,2|2,0,0]=4 24428 B13R1.337 CC(O)CCNCc1cnccn1 270004a_200000755665_100000749867 [0,0,0,0,0,2|2,0,0]=4 24429 B13R1.337 CC(O)CCNCc1cncnc1 2230a_100011243677_100012276601 [0,0,0,0,0,2|2,0,0]=4 24430 B13R1.337 CC(O)CCNCc1cncnc1 2230a_200000755665_100015196519 [0,0,0,0,0,2|2,0,0]=4 24431 B13R1.337 CC(O)CCNCc1cncnc1 270004a_200000755665_100000749868 [0,0,0,0,0,2|2,0,0]=4 24432 B13R1.337 CC(O)CCNCc1ncccn1 2230a_200000755665_100000703007 [0,0,0,0,0,2|2,0,0]=4 24433 B13R1.337 CC(O)CCNCc1ncccn1 270004a_200000755665_100011532527 [0,0,0,0,0,2|2,0,0]=4 24434 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,0,0,0,0,2|0,0,0]=2 24435 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,0,0,0,0,2|0,0,0]=2 24436 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,0,0,0,0,2|0,0,0]=2 24437 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,0,0,0,0,2|0,0,0]=2 24438 B13R1.337 CC(O)CCSCc1ccccn1 62a_100000721315_100012276601 [0,0,0,0,0,2|1,0,0]=3 24439 B13R1.337 CC(O)CCSCc1ccccn1 62a_100012276601_100000721315 [0,0,0,0,0,2|1,0,0]=3 24440 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [0,0,0,0,0,2|1,0,0]=3 24441 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [0,0,0,0,0,2|1,0,0]=3 24442 B13R1.337 CC(O)CCSCc1cccnn1 62a_100012276601_100016990269 [0,0,0,0,0,2|2,0,0]=4 24443 B13R1.337 CC(O)CCSCc1cccnn1 62a_100016990269_100012276601 [0,0,0,0,0,2|2,0,0]=4 24444 B13R1.337 CC(O)CCSCc1ccncc1 62a_100012276601_100015193705 [0,0,0,0,0,2|1,0,0]=3 24445 B13R1.337 CC(O)CCSCc1ccncc1 62a_100015193705_100012276601 [0,0,0,0,0,2|1,0,0]=3 24446 B13R1.337 CC(O)CCSCc1cnccn1 62a_100012276601_100016995436 [0,0,0,0,0,2|2,0,0]=4 24447 B13R1.337 CC(O)CCSCc1cnccn1 62a_100016995436_100012276601 [0,0,0,0,0,2|2,0,0]=4 24448 B13R1.337 CC(O)CCSCc1cncnc1 62a_100012276601_100015196519 [0,0,0,0,0,2|2,0,0]=4 24449 B13R1.337 CC(O)CCSCc1cncnc1 62a_100015196519_100012276601 [0,0,0,0,0,2|2,0,0]=4 24450 B13R1.337 CC(O)CCSCc1ncccn1 62a_100000703007_100012276601 [0,0,0,0,0,2|2,0,0]=4 24451 B13R1.337 CC(O)CCSCc1ncccn1 62a_100012276601_100000703007 [0,0,0,0,0,2|2,0,0]=4 24452 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [0,0,0,0,0,2|0,0,0]=2 24453 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [0,0,0,0,0,2|0,0,0]=2 24454 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [0,0,0,0,0,2|0,0,0]=2 24455 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [0,0,0,0,0,2|0,0,0]=2 24456 B13R1.337 CC(O)CNCCc1ccccn1 2230a_100000210904_100015183660 [0,0,0,0,0,2|1,0,0]=3 24457 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [0,0,0,0,0,2|1,0,0]=3 24458 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [0,0,0,0,0,2|1,0,0]=3 24459 B13R1.337 CC(O)CNCCc1ccncc1 2230a_100000210904_100000723409 [0,0,0,0,0,2|1,0,0]=3 24460 B13R1.337 CC(O)CNCSc1ccccc1 2230a_100000210904_100011218342 [0,0,0,0,0,2|0,0,0]=2 24461 B13R1.337 CC(O)CNN=Cc1ccccc1 4a_200000730056_100015611070 [0,0,0,0,0,2|0,0,1]=3 24462 B13R1.337 CC(O)CNN=Cc1ccccn1 4a_200000730056_100000209966 [0,0,0,0,0,2|1,0,1]=4 24463 B13R1.337 CC(O)CNN=Cc1cccnc1 4a_200000730056_100000209961 [0,0,0,0,0,2|1,0,1]=4 24464 B13R1.337 CC(O)CNN=Cc1ccncc1 4a_200000730056_100000186114 [0,0,0,0,0,2|1,0,1]=4 24465 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,0,0,0,0,2|0,0,0]=2 24466 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,0,0,0,0,2|0,0,0]=2 24467 B13R1.337 CC(O)COCCc1ccccn1 34a_100000210271_100011218427 [0,0,0,0,0,2|1,0,0]=3 24468 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [0,0,0,0,0,2|1,0,0]=3 24469 B13R1.337 CC(O)COCCc1ccncc1 34a_100011216225_100011218427 [0,0,0,0,0,2|1,0,0]=3 24470 B13R1.337 CC(O)COCCc1cnccn1 34a_100011349526_100011218427 [0,0,0,0,0,2|2,0,0]=4 24471 B13R1.337 CC(O)COCCc1cncnc1 34a_100011709255_100011218427 [0,0,0,0,0,2|2,0,0]=4 24472 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [0,0,0,0,0,2|0,0,0]=2 24473 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [0,0,0,0,0,2|0,0,0]=2 24474 B13R1.337 CC(O)CSCCc1ccccn1 62a_100011218427_100015183660 [0,0,0,0,0,2|1,0,0]=3 24475 B13R1.337 CC(O)CSCCc1ccccn1 62a_100015183660_100011218427 [0,0,0,0,0,2|1,0,0]=3 24476 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [0,0,0,0,0,2|1,0,0]=3 24477 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [0,0,0,0,0,2|1,0,0]=3 24478 B13R1.337 CC(O)CSCCc1ccncc1 62a_100000723409_100011218427 [0,0,0,0,0,2|1,0,0]=3 24479 B13R1.337 CC(O)CSCCc1ccncc1 62a_100011218427_100000723409 [0,0,0,0,0,2|1,0,0]=3 24480 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218342_100011218427 [0,0,0,0,0,2|0,0,0]=2 24481 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218427_100011218342 [0,0,0,0,0,2|0,0,0]=2 24482 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [0,0,0,0,0,2|2,0,0]=4 24483 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [0,0,0,0,0,2|2,0,0]=4 24484 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [0,0,0,0,0,2|2,0,0]=4 24485 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [0,0,0,0,0,2|2,0,0]=4 24486 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [0,0,0,0,0,2|2,0,0]=4 24487 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [0,0,0,0,0,2|2,0,0]=4 24488 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [0,0,0,0,0,2|2,0,0]=4 24489 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [0,0,0,0,0,2|2,0,0]=4 24490 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [0,0,0,0,0,2|2,0,0]=4 24491 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [0,0,0,0,0,2|2,0,0]=4 24492 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [0,0,0,0,0,2|2,0,0]=4 24493 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [0,0,0,0,0,2|2,0,0]=4 24494 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [0,0,0,0,0,2|2,0,0]=4 24495 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [0,0,0,0,0,2|2,0,0]=4 24496 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [0,0,0,0,0,2|2,0,0]=4 24497 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [0,0,0,0,0,2|2,0,0]=4 24498 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [0,0,0,0,0,2|2,0,0]=4 24499 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,0,0,0,0,2|2,0,0]=4 24500 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,0,0,0,0,2|2,0,0]=4 24501 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,0,0,0,0,2|2,0,0]=4 24502 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,0,0,0,0,2|2,0,0]=4 24503 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,0,0,0,0,2|2,0,0]=4 24504 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [0,0,0,0,0,2|2,0,0]=4 24505 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [0,0,0,0,0,2|2,0,0]=4 24506 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [0,0,0,0,0,2|2,0,0]=4 24507 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [0,0,0,0,0,2|2,0,0]=4 24508 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [0,0,0,0,0,2|2,0,0]=4 24509 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [0,0,0,0,0,2|2,0,0]=4 24510 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [0,0,0,0,0,2|2,0,0]=4 24511 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [0,0,0,0,0,2|2,0,0]=4 24512 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [0,0,0,0,0,2|2,0,0]=4 24513 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [0,0,0,0,0,2|2,0,0]=4 24514 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,0,0,0,0,2|2,0,0]=4 24515 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,0,0,0,0,2|2,0,0]=4 24516 B13R1.337 C[C@@H](Cl)COCCc1ccccc1 34a_100016084084_100000765856 [0,0,0,0,0,2|1,0,0]=3 24517 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,0,0,0,0,2|1,0,0]=3 24518 B13R1.337 C[C@@H](N)CCOCc1ccccn1 34a_100000706166_100000721315 [0,0,0,0,0,2|2,0,0]=4 24519 B13R1.337 C[C@@H](N)CCOCc1cccnc1 34a_100000706166_100000733263 [0,0,0,0,0,2|2,0,0]=4 24520 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,0,0,0,0,2|1,0,0]=3 24521 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [0,0,0,0,0,2|0,0,0]=2 24522 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [0,0,0,0,0,2|0,0,0]=2 24523 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [0,0,0,0,0,2|1,0,0]=3 24524 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,0,0,0,0,2|0,0,0]=2 24525 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,0,0,0,0,2|0,0,0]=2 24526 B13R1.337 C[C@@H](O)COCCc1ccccn1 34a_100000210271_100009817552 [0,0,0,0,0,2|1,0,0]=3 24527 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [0,0,0,0,0,2|1,0,0]=3 24528 B13R1.337 C[C@@H](O)COCCc1ccncc1 34a_100011216225_100009817552 [0,0,0,0,0,2|1,0,0]=3 24529 B13R1.337 C[C@@H](O)COCCc1cnccn1 34a_100011349526_100009817552 [0,0,0,0,0,2|2,0,0]=4 24530 B13R1.337 C[C@@H](O)COCCc1cncnc1 34a_100011709255_100009817552 [0,0,0,0,0,2|2,0,0]=4 24531 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [0,0,0,0,0,2|0,0,0]=2 24532 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [0,0,0,0,0,2|0,0,0]=2 24533 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100009817552_100015183660 [0,0,0,0,0,2|1,0,0]=3 24534 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100015183660_100009817552 [0,0,0,0,0,2|1,0,0]=3 24535 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [0,0,0,0,0,2|1,0,0]=3 24536 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [0,0,0,0,0,2|1,0,0]=3 24537 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100000723409_100009817552 [0,0,0,0,0,2|1,0,0]=3 24538 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100009817552_100000723409 [0,0,0,0,0,2|1,0,0]=3 24539 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100009817552_100011218342 [0,0,0,0,0,2|0,0,0]=2 24540 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100011218342_100009817552 [0,0,0,0,0,2|0,0,0]=2 24541 B13R1.337 FC(F)CCOCc1ccccc1 34a_100103093639_100015291786 [0,0,0,0,0,2|2,0,0]=4 24542 B13R1.337 FC(F)CNCCc1ccccc1 2230a_100000106460_100011934356 [0,0,0,0,0,2|2,0,0]=4 24543 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000106460_100011934356 [0,0,0,0,0,2|2,0,0]=4 24544 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000765723_100000765856 [0,0,0,0,0,2|2,0,0]=4 24545 B13R1.337 FC(F)COCCc1ccccc1 34a_100000210268_100011934356 [0,0,0,0,0,2|2,0,0]=4 24546 B13R1.337 FC(F)COCCc1ccccc1 34a_100000743014_100000765856 [0,0,0,0,0,2|2,0,0]=4 24547 B13R1.337 FC(F)COCCc1ccccc1 7a_100000210268_100011934356 [0,0,0,0,0,2|2,0,0]=4 24548 B13R1.337 FC(F)CSCCc1ccccc1 62a_100000765856_100011934356 [0,0,0,0,0,2|2,0,0]=4 24549 B13R1.337 FC(F)CSCCc1ccccc1 62a_100011934356_100011218657 [0,0,0,0,0,2|2,0,0]=4 24550 B13R1.337 FC(F)CSCSc1ccccc1 62a_100011218342_100011934356 [0,0,0,0,0,2|2,0,0]=4 24551 B13R1.337 FC(F)CSCSc1ccccc1 62a_100011934356_100011218342 [0,0,0,0,0,2|2,0,0]=4 24552 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,0,0,0,2|1,0,1]=4 24553 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,0,0,0,0,2|1,0,1]=4 24554 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,0,0,0,2|1,0,1]=4 24555 B13R1.337 [13CH3]C(=O)C=CCCc1ccccc1 1458a_100016484021_200025704644 [0,0,0,0,0,2|0,0,2]=4 24556 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,0,0,0,0,2|0,0,2]=4 24557 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,0,0,0,0,2|0,0,2]=4 24558 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,0,0,0,0,2|0,0,2]=4 24559 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,0,0,0,0,2|0,0,2]=4 24560 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,0,0,0,0,2|0,0,2]=4