0 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.252 C=C(C)CCOc1ccnnc1 34a_100015204005_100000730704 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.252 C=C(C)CCOc1cncnc1 7a_100000754086_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,0,0,0,0,0|2,1,0]=3 9 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,0,0,0,0,0|2,1,0]=3 10 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,0,0,0,0,0|3,1,0]=4 11 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,0,0,0,0,0|3,1,0]=4 12 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000210063_100000730704 [0,0,0,0,0,0|3,1,0]=4 13 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000730704_100000210063 [0,0,0,0,0,0|3,1,0]=4 14 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000728582_100000730704 [0,0,0,0,0,0|3,1,0]=4 15 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000730704_100000728582 [0,0,0,0,0,0|3,1,0]=4 16 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,0,0,0,0,0|2,0,1]=3 32 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,0,0,0,0,0|2,0,1]=3 33 B12R1.252 CC(=CCOc1cccnc1)C 34a_100000210849_100000761012 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.252 CC(=CCOc1cccnc1)C 7a_100000210849_100000761012 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.252 CC(=CCOc1ccncc1)C 34a_100000212176_100000761012 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,0,0,0,0,0|2,1,1]=4 37 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,0,0,0,0,0|2,1,1]=4 38 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,0|2,0,1]=3 39 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,0|2,0,1]=3 40 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,0,0,0,0|1,1,2]=4 41 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,0|2,0,0]=2 43 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,0|1,0,0]=1 47 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,0|1,0,0]=1 48 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,0|1,0,0]=1 49 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,0|2,0,0]=2 50 B12R1.252 CC(=O)CCOc1cncnc1 7a_100000754086_100000053229 [0,0,0,0,0,0|3,0,0]=3 51 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,0|1,1,0]=2 52 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,0|1,1,0]=2 53 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,0|1,1,0]=2 54 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,0|1,1,0]=2 55 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,0|2,1,0]=3 56 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,0|2,1,0]=3 57 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,0|2,1,0]=3 58 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,0|2,1,0]=3 59 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,0|3,1,0]=4 60 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,0|3,1,0]=4 61 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,0|2,1,0]=3 62 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,0|2,1,0]=3 63 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,0|3,1,0]=4 64 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,0|3,1,0]=4 65 B12R1.252 CC(=O)CCSc1ccnnc1 62a_100000053229_100000732662 [0,0,0,0,0,0|3,1,0]=4 66 B12R1.252 CC(=O)CCSc1ccnnc1 62a_100000732662_100000053229 [0,0,0,0,0,0|3,1,0]=4 67 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,0|3,1,0]=4 68 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,0|3,1,0]=4 69 B12R1.252 CC(=O)CCSc1cncnc1 62a_100000053229_100011206942 [0,0,0,0,0,0|3,1,0]=4 70 B12R1.252 CC(=O)CCSc1cncnc1 62a_100011206942_100000053229 [0,0,0,0,0,0|3,1,0]=4 71 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,0|3,1,0]=4 72 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,0|3,1,0]=4 73 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,0|3,0,0]=3 75 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,0|3,0,0]=3 78 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,0|3,0,0]=3 81 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,0|3,0,0]=3 82 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,0|3,0,0]=3 83 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,0|3,0,0]=3 84 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,0|4,0,0]=4 86 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,0|4,0,0]=4 87 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,0|4,0,0]=4 88 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,0|4,0,0]=4 89 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,0|4,0,0]=4 93 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,0|4,0,0]=4 94 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,0|4,0,0]=4 95 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,0|4,0,0]=4 96 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,0,0,0,0,0|4,0,0]=4 97 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,0|4,0,0]=4 98 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,0|3,0,0]=3 99 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,0|2,0,0]=2 100 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.252 CC(=O)OCOc1ccnnc1 34a_100015204005_100009813279 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,0|2,1,0]=3 104 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,0|2,1,0]=3 105 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,0|3,1,0]=4 106 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,0|3,1,0]=4 107 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,0,0,0,0,0|3,1,0]=4 108 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,0,0,0,0,0|3,1,0]=4 109 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [0,0,0,0,0,0|3,1,0]=4 110 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [0,0,0,0,0,0|3,1,0]=4 111 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,0,0,0,0,0|3,0,1]=4 112 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,0,0,0,0,0|2,0,1]=3 113 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,0,0,0,0,0|2,0,1]=3 114 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,0,0,0,0,0|3,0,1]=4 116 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,0,0,0,0,0|3,0,1]=4 117 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,0,0,0,0,0|2,1,1]=4 118 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,0,0,0,0,0|2,1,1]=4 119 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,0,0,0,0,0|3,0,1]=4 120 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,0,0,0,0,0|2,0,1]=3 121 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,0,0,0,0,0|1,0,1]=2 122 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,0,0,0,0,0|1,0,1]=2 123 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,0,0,0,0,0|2,0,1]=3 124 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,0,0,0,0,0|2,0,1]=3 125 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,0,0,0,0,0|2,0,1]=3 126 B12R1.252 CC(O)CCOc1ccnnc1 34a_100015204005_100012276601 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.252 CC(O)CCOc1cncnc1 7a_100000754086_100012276601 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,0,0,0,0,0|1,1,1]=3 129 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,0,0,0,0,0|1,1,1]=3 130 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,0,0,0,0,0|2,1,1]=4 131 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,0,0,0,0,0|2,1,1]=4 132 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,0,0,0,0,0|2,1,1]=4 133 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,0,0,0,0,0|2,1,1]=4 134 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,0,0,0,0,0|2,1,1]=4 135 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,0,0,0,0,0|2,1,1]=4 136 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,0,0,0,0,0|3,0,1]=4 143 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,0,0,0,0,0|3,0,1]=4 144 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,0,0,0,0|3,0,1]=4 145 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,0,0,0,0|3,0,1]=4 146 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,0,0,0,0,0|4,0,0]=4 147 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,0,0,0,0,0|4,0,0]=4 148 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,0,0,0,0,0|4,0,0]=4 149 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,0,0,0,0,0|4,0,0]=4 150 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,0,0,0,0,0|3,0,0]=3 151 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,0,0,0,0,0|3,0,0]=3 152 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,0,0,0,0,0|3,0,0]=3 153 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,0,0,0,0,0|3,0,0]=3 154 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,0,0,0,0,0|3,0,0]=3 155 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,0,0,0,0,0|3,0,0]=3 156 B12R1.252 CN(C)CCOc1cccnc1 7a_100000210849_100000755713 [0,0,0,0,0,0|4,0,0]=4 157 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,0,0,0,0,0|3,1,0]=4 158 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,0,0,0,0,0|3,1,0]=4 159 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,0,0,0,0,0|3,1,0]=4 160 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,0,0,0,0,0|4,0,0]=4 161 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,0,0,0,0,0|4,0,0]=4 162 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,0,0,0,0,0|3,0,0]=3 164 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,0,0,0,0,0|3,0,1]=4 167 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,0,0,0,0,0|3,0,1]=4 168 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,0|2,0,0]=2 171 B12R1.252 NC(=O)CCNc1cccnn1 27a_100000740010_100016991348 [0,0,0,0,0,0|4,0,0]=4 172 B12R1.252 NC(=O)CCNc1ccncn1 27a_100000740010_100000703185 [0,0,0,0,0,0|4,0,0]=4 173 B12R1.252 NC(=O)CCNc1cnccn1 27a_100000740010_100000211759 [0,0,0,0,0,0|4,0,0]=4 174 B12R1.252 NC(=O)CCNc1ncccn1 27a_100000740010_100000211032 [0,0,0,0,0,0|4,0,0]=4 175 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,0|1,0,0]=1 176 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,0|1,0,0]=1 177 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,0,0,0,0,0|2,0,0]=2 178 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,0,0,0,0,0|2,0,0]=2 179 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,0,0,0,0,0|2,0,0]=2 180 B12R1.252 NC(=O)CCOc1ccnnc1 34a_100015204005_100000731001 [0,0,0,0,0,0|3,0,0]=3 181 B12R1.252 NC(=O)CCOc1cncnc1 7a_100000754086_100000744528 [0,0,0,0,0,0|3,0,0]=3 182 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,0|1,1,0]=2 183 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,0|1,1,0]=2 184 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,0,0,0,0,0|2,1,0]=3 185 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,0,0,0,0,0|2,1,0]=3 186 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,0,0,0,0,0|2,1,0]=3 187 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,0,0,0,0,0|2,1,0]=3 188 B12R1.252 NC(=O)CCSc1cccnn1 62a_100000744528_100016991348 [0,0,0,0,0,0|3,1,0]=4 189 B12R1.252 NC(=O)CCSc1cccnn1 62a_100016991348_100000744528 [0,0,0,0,0,0|3,1,0]=4 190 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,0,0,0,0,0|2,1,0]=3 191 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,0,0,0,0,0|2,1,0]=3 192 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000703185_100000744528 [0,0,0,0,0,0|3,1,0]=4 193 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000744528_100000703185 [0,0,0,0,0,0|3,1,0]=4 194 B12R1.252 NC(=O)CCSc1ccnnc1 62a_100000732662_100000744528 [0,0,0,0,0,0|3,1,0]=4 195 B12R1.252 NC(=O)CCSc1ccnnc1 62a_100000744528_100000732662 [0,0,0,0,0,0|3,1,0]=4 196 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000211759_100000744528 [0,0,0,0,0,0|3,1,0]=4 197 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000744528_100000211759 [0,0,0,0,0,0|3,1,0]=4 198 B12R1.252 NC(=O)CCSc1cncnc1 62a_100000744528_100011206942 [0,0,0,0,0,0|3,1,0]=4 199 B12R1.252 NC(=O)CCSc1cncnc1 62a_100011206942_100000744528 [0,0,0,0,0,0|3,1,0]=4 200 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000211032_100000744528 [0,0,0,0,0,0|3,1,0]=4 201 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000744528_100000211032 [0,0,0,0,0,0|3,1,0]=4 202 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,0|3,0,0]=3 203 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,0|3,0,0]=3 204 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,0|3,0,0]=3 205 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,0|4,0,0]=4 206 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,0,0,0,0,0|4,0,0]=4 207 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,0,0,0,0,0|4,0,0]=4 208 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,0|3,0,0]=3 209 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,0|3,0,0]=3 210 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,0|3,0,0]=3 211 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,0|3,0,0]=3 212 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,0|4,0,0]=4 213 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,0|4,0,0]=4 214 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,0,0,0,0,0|4,0,0]=4 215 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,0,0,0,0,0|4,0,0]=4 216 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,0,0,0,0,0|4,0,0]=4 217 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,0,0,0,0,0|4,0,0]=4 218 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,0|2,0,0]=2 219 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,0|3,0,0]=3 220 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,0|3,0,0]=3 221 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,0|4,0,0]=4 222 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,0|3,0,0]=3 223 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,0|4,0,0]=4 224 B12R1.252 O=C(O)CNCc1cncnc1 269956a_100016091260_100016991940 [0,0,0,0,0,0|4,0,0]=4 225 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,0|4,0,0]=4 226 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,0|2,0,1]=3 227 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,0|2,0,1]=3 228 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,0|2,0,1]=3 229 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,0|2,0,1]=3 230 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,0|3,0,1]=4 231 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,0|3,0,1]=4 232 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,0,0,0,0,0|3,0,1]=4 233 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,0,0,0,0,0|3,0,1]=4 234 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [0,0,0,0,0,0|3,0,1]=4 235 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [0,0,0,0,0,0|3,0,1]=4 236 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,0,0,0,0,0|3,0,1]=4 237 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,0,0,0,0,0|3,0,1]=4 238 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,0,0,0,0,0|3,0,1]=4 239 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,0|2,0,1]=3 240 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,0,0,0,0|1,1,2]=4 241 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,0|2,0,0]=2 242 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,0|3,0,0]=3 243 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,0|3,0,0]=3 244 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,0|1,0,0]=1 245 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,0|1,1,0]=2 246 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,0|3,0,0]=3 247 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,0|3,0,0]=3 248 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,0|4,0,0]=4 249 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,0,0,0,0,0|1,0,1]=3 251 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,0,0,0,0,0|1,0,1]=3 252 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [1,0,0,0,0,0|2,0,1]=4 253 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.28 C#CCCOc1ccncc1 34a_100000212176_100000688953 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,0,0,0,0,0|1,1,1]=4 256 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,0,0,0,0,0|1,1,1]=4 257 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,0,0,0,0,0|2,0,1]=4 258 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,0,0,0,0|1,0,1]=3 259 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,0,0,0,0|1,0,1]=3 260 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [1,0,0,0,0,0|2,0,1]=4 262 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [1,0,0,0,0,0|2,0,1]=4 263 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,0,0,0,0,0|1,1,1]=4 264 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,0,0,0,0,0|1,1,1]=4 265 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,0,0,0,0,0|2,0,0]=3 266 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,0,0,0,0,0|1,0,0]=2 267 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,0,0,0,0,0|1,0,0]=2 268 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [1,0,0,0,0,0|2,0,0]=3 269 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [1,0,0,0,0,0|2,0,0]=3 270 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [1,0,0,0,0,0|2,0,0]=3 271 B11R1.28 C=CCCOc1ccnnc1 34a_100015204005_100000754431 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.28 C=CCCOc1cncnc1 7a_100000754086_100000754431 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,0,0,0,0,0|1,1,0]=3 274 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,0,0,0,0,0|1,1,0]=3 275 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [1,0,0,0,0,0|2,1,0]=4 276 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [1,0,0,0,0,0|2,1,0]=4 277 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [1,0,0,0,0,0|2,1,0]=4 278 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [1,0,0,0,0,0|2,1,0]=4 279 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [1,0,0,0,0,0|2,1,0]=4 280 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [1,0,0,0,0,0|2,1,0]=4 281 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,0,0,0,0,0|3,0,0]=4 288 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,0,0,0,0,0|1,0,2]=4 291 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,0,0,0,0,0|1,0,2]=4 292 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,0,0,0,0,0|2,0,1]=4 293 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,0,0,0,0|1,0,1]=3 294 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,0,0,0,0|1,0,1]=3 295 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [1,0,0,0,0,0|2,0,1]=4 297 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,0,0,0,0,0|1,1,1]=4 299 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,0,0,0,0,0|1,1,1]=4 300 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,0,0,0,0|2,0,1]=4 301 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,0,0,0,0|1,0,1]=3 302 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,0,0,0,0|1,0,1]=3 303 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,0,0,0,0,0|2,0,1]=4 304 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,0,0,0,0,0|2,0,1]=4 305 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,0,0,0,0,0|2,0,1]=4 306 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,0,0,0,0|1,1,1]=4 307 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,0,0,0,0|1,1,1]=4 308 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,0,0,0,0|3,0,0]=4 310 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,0,0,0,0,0|2,0,0]=3 314 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,0,0,0,0,0|2,0,0]=3 315 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,0,0,0,0,0|2,0,0]=3 316 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,0,0,0,0,0|2,0,0]=3 317 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,0,0,0,0,0|2,0,0]=3 318 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,0,0,0,0,0|2,0,0]=3 319 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,0,0,0,0,0|2,1,0]=4 322 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,0,0,0,0,0|2,1,0]=4 323 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,0,0,0,0,0|2,1,0]=4 324 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,0,0,0,0,0|2,1,0]=4 325 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,0,0,0,0,0|3,0,0]=4 329 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,0,0,0,0,0|2,0,0]=3 331 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,0,0,0,0,0|2,0,0]=3 332 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,0,0,0,0,0|2,0,0]=3 333 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,0,0,0,0,0|2,0,0]=3 334 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,0,0,0,0,0|2,0,0]=3 335 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,0,0,0,0,0|3,0,0]=4 336 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,0,0,0,0,0|3,0,0]=4 337 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,0,0,0,0,0|3,0,0]=4 338 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,0,0,0,0,0|2,1,0]=4 339 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,0,0,0,0,0|2,1,0]=4 340 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,0,0,0,0,0|2,1,0]=4 341 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,0,0,0,0,0|2,1,0]=4 342 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,0,0,0,0|3,0,0]=4 343 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,0,0,0,0|3,0,0]=4 344 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,0,0,0,0,0|2,0,0]=3 346 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,0,0,0,0,0|2,0,0]=3 347 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,0,0,0,0,0|2,0,0]=3 349 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,0,0,0,0,0|3,0,0]=4 350 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,0,0,0,0,0|3,0,0]=4 351 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [1,0,0,0,0,0|3,0,0]=4 352 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,0,0,0,0,0|2,1,0]=4 353 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,0,0,0,0,0|2,1,0]=4 354 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,0,0,0,0,0|2,1,0]=4 355 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,0,0,0,0,0|2,1,0]=4 356 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,0,0,0,0,0|2,0,1]=4 357 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,0,0,0,0,0|1,0,1]=3 358 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,0,0,0,0,0|1,0,1]=3 359 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [1,0,0,0,0,0|2,0,1]=4 360 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [1,0,0,0,0,0|2,0,1]=4 361 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [1,0,0,0,0,0|2,0,1]=4 362 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,0,0,0,0,0|1,1,1]=4 363 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,0,0,0,0,0|1,1,1]=4 364 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,0,0,0,0,0|1,0,1]=3 365 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,0,0,0,0,0|1,1,1]=4 367 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,0,0,0,0,0|1,1,1]=4 368 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,0,0,0,0|2,0,0]=3 369 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,0,0,0,0|2,0,0]=3 370 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,0|2,0,0]=3 371 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,0|2,0,0]=3 372 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,0,0,0,0|2,0,0]=3 373 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,0,0,0,0|2,0,0]=3 374 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [1,0,0,0,0,0|3,0,0]=4 375 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [1,0,0,0,0,0|3,0,0]=4 376 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [1,0,0,0,0,0|3,0,0]=4 377 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [1,0,0,0,0,0|3,0,0]=4 378 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [1,0,0,0,0,0|3,0,0]=4 379 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,0,0,0,0,0|1,0,1]=3 381 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,0,0,0,0,0|0,0,1]=2 382 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,0,0,0,0,0|0,0,1]=2 383 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,0,0,0,0,0|1,0,1]=3 384 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,0,0,0,0,0|1,0,1]=3 385 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [1,0,0,0,0,0|1,0,1]=3 386 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [1,0,0,0,0,0|2,0,1]=4 387 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [1,0,0,0,0,0|2,0,1]=4 388 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,0,0,0,0,0|0,1,1]=3 389 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,0,0,0,0,0|0,1,1]=3 390 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [1,0,0,0,0,0|1,1,1]=4 391 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [1,0,0,0,0,0|1,1,1]=4 392 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,0,0,0,0,0|1,1,1]=4 393 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,0,0,0,0,0|1,1,1]=4 394 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [1,0,0,0,0,0|1,1,1]=4 395 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [1,0,0,0,0,0|1,1,1]=4 396 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,0,0,0,0|2,0,1]=4 397 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,0,0,0,0|2,0,1]=4 398 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,0,0,0,0|2,0,1]=4 399 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,0,0,0,0|2,0,1]=4 400 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,0,0,0,0|2,0,1]=4 401 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,0,0,0,0|2,0,1]=4 402 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,0,0,0,0,0|2,0,1]=4 403 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,0,0,0,0,0|2,0,1]=4 404 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,0,0,0,0,0|2,0,1]=4 405 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,0,0,0,0,0|2,0,1]=4 406 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,0,0,0,0|3,0,0]=4 407 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,0,0,0,0|3,0,0]=4 408 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,0,0,0,0,0|2,0,0]=3 409 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,0,0,0,0,0|2,0,0]=3 410 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [1,0,0,0,0,0|3,0,0]=4 411 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,0,0,0,0,0|3,0,0]=4 412 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,0,0,0,0,0|2,1,0]=4 413 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,0,0,0|3,0,0]=4 414 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,0,0,0|3,0,0]=4 415 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,0,0,0,0,0|3,0,0]=4 416 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,0,0,0,0,0|2,0,0]=3 417 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,0,0,0,0,0|2,0,0]=3 418 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,0,0,0,0,0|2,1,0]=4 419 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,0,0,0,0|3,0,0]=4 420 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,0,0,0,0|3,0,0]=4 421 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,0,0,0,0,0|2,0,0]=3 423 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,0,0,0,0,0|2,1,0]=4 424 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,0,0,0,0,0|2,1,0]=4 425 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,1,0,0,0,0|3,0,0]=4 426 B13R1.45 C=C(C)CCN(C)c1ccccc1 2230a_100000210012_100000730704 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.45 C=C(C)CCN(C)c1ccccc1 269982a_100000210012_100000730704 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.45 C=C(C)CCN(C)c1ccccc1 34a_100000210012_100000730704 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,1,0,0,0,0|2,0,0]=3 430 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [0,1,0,0,0,0|2,0,0]=3 431 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,1,0,0,0,0|2,0,0]=3 432 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,1,0,0,0,0|3,0,0]=4 437 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,1,0,0,0,0|3,0,0]=4 438 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,1,0,0,0,0|3,0,0]=4 439 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,1,0,0,0,0|3,0,0]=4 440 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,1,0,0,0,0|3,0,0]=4 441 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,1,0,0,0,0|3,0,0]=4 442 B13R1.45 CC(=O)OCN(C)c1ccccc1 269982a_100000210012_100000076356 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.45 CC(=O)OCN(C)c1ccccc1 34a_100000210012_100009813279 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,1,0,0,0,0|2,0,0]=3 446 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,1,0,0,0,0|2,0,1]=4 447 B13R1.45 CC(O)CCN(C)c1ccccc1 2230a_100000210012_100012276601 [0,1,0,0,0,0|2,0,1]=4 448 B13R1.45 CC(O)CCN(C)c1ccccc1 269982a_100000210012_100012276601 [0,1,0,0,0,0|2,0,1]=4 449 B13R1.45 CC(O)CCN(C)c1ccccc1 34a_100000210012_100012276601 [0,1,0,0,0,0|2,0,1]=4 450 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.45 CN(CCC(=O)N)c1ccccc1 2230a_100000210012_100000744528 [0,1,0,0,0,0|2,0,0]=3 455 B13R1.45 CN(CCC(=O)N)c1ccccc1 269982a_100000210012_100000744528 [0,1,0,0,0,0|2,0,0]=3 456 B13R1.45 CN(CCC(=O)N)c1ccccc1 34a_100000210012_100000731001 [0,1,0,0,0,0|2,0,0]=3 457 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,1,0,0,0,0|2,0,1]=4 461 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,1,0,0,0,0|3,0,0]=4 462 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,1,0,0,0,0|3,0,0]=4 464 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,1,0,0,0,0|3,0,0]=4 465 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.149 C=C(C)CCNc1cccc(c1)Br 34a_100000210019_100000730704 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.149 C=C(C)CCNc1cccc(c1)C 2230a_100000188690_100000730704 [0,1,0,0,0,0|3,0,0]=4 468 B13R1.149 C=C(C)CCNc1cccc(c1)C 34a_100000188690_100000730704 [0,1,0,0,0,0|3,0,0]=4 469 B13R1.149 C=C(C)CCNc1cccc(c1)Cl 34a_100000185859_100000730704 [0,1,0,0,0,0|3,0,0]=4 470 B13R1.149 C=C(C)CCNc1cccc(c1)F 34a_100000210047_100000730704 [0,1,0,0,0,0|3,0,0]=4 471 B13R1.149 C=C(C)CCNc1cccc(c1)I 34a_100000211102_100000730704 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.149 C=C(C)CCNc1cccc(c1)O 34a_100000210217_100000730704 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.149 C=C(C)CCOc1cc[nH]c(=O)c1 34a_100000032262_100000730704 [0,1,0,0,0,0|3,0,0]=4 474 B13R1.149 C=C(C)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000730704 [0,1,0,0,0,0|3,0,0]=4 475 B13R1.149 C=C(C)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000730704 [0,1,0,0,0,0|3,0,0]=4 476 B13R1.149 C=C(C)CCOc1cccc(=O)[nH]1 34a_100000033347_100000730704 [0,1,0,0,0,0|3,0,0]=4 477 B13R1.149 C=C(C)CCOc1cccc(c1)Br 34a_100000210342_100000730704 [0,1,0,0,0,0|2,0,0]=3 478 B13R1.149 C=C(C)CCOc1cccc(c1)Br 7a_100000210342_100000730704 [0,1,0,0,0,0|2,0,0]=3 479 B13R1.149 C=C(C)CCOc1cccc(c1)C 34a_100000210337_100000730704 [0,1,0,0,0,0|2,0,0]=3 480 B13R1.149 C=C(C)CCOc1cccc(c1)C 7a_100000210337_100000730704 [0,1,0,0,0,0|2,0,0]=3 481 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 34a_100000210295_100000730704 [0,1,0,0,0,0|2,0,0]=3 482 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 7a_100000210295_100000730704 [0,1,0,0,0,0|2,0,0]=3 483 B13R1.149 C=C(C)CCOc1cccc(c1)F 34a_100000210426_100000730704 [0,1,0,0,0,0|2,0,0]=3 484 B13R1.149 C=C(C)CCOc1cccc(c1)F 7a_100000210426_100000730704 [0,1,0,0,0,0|2,0,0]=3 485 B13R1.149 C=C(C)CCOc1cccc(c1)I 34a_100000211634_100000730704 [0,1,0,0,0,0|2,0,0]=3 486 B13R1.149 C=C(C)CCOc1cccc(c1)I 7a_100000211634_100000730704 [0,1,0,0,0,0|2,0,0]=3 487 B13R1.149 C=C(C)CCOc1cccc(c1)N 34a_100000210217_100000730704 [0,1,0,0,0,0|2,0,0]=3 488 B13R1.149 C=C(C)CCOc1cccc(n1)F 34a_100011432558_100000730704 [0,1,0,0,0,0|3,0,0]=4 489 B13R1.149 C=C(C)CCOc1ccnc(c1)C 34a_100000688365_100000730704 [0,1,0,0,0,0|3,0,0]=4 490 B13R1.149 C=C(C)CCOc1ccnc(c1)Cl 34a_100000762945_100000730704 [0,1,0,0,0,0|3,0,0]=4 491 B13R1.149 C=C(C)CCOc1ccnc(c1)F 34a_100000732698_100000730704 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.149 C=C(C)CCOc1ccnc(c1)N 34a_100011834064_100000730704 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.149 C=C(C)CCOc1cncc(c1)Br 34a_100000754920_100000730704 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.149 C=C(C)CCOc1cncc(c1)Br 7a_100000754920_100000730704 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.149 C=C(C)CCOc1cncc(c1)C 34a_100011830280_100000730704 [0,1,0,0,0,0|3,0,0]=4 496 B13R1.149 C=C(C)CCOc1cncc(c1)C 7a_100011830280_100000730704 [0,1,0,0,0,0|3,0,0]=4 497 B13R1.149 C=C(C)CCOc1cncc(c1)Cl 7a_100000032511_100000730704 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.149 C=C(C)CCOc1cncc(c1)F 34a_100011830296_100000730704 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.149 C=C(C)CCOc1cncc(c1)F 7a_100011830296_100000730704 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.149 C=C(C)CCOc1cncc(c1)N 34a_100011997051_100000730704 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.149 C=C(C)CCSc1cccc(c1)Br 62a_100000691529_100000730704 [0,1,0,0,0,0|2,1,0]=4 502 B13R1.149 C=C(C)CCSc1cccc(c1)Br 62a_100000730704_100000691529 [0,1,0,0,0,0|2,1,0]=4 503 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100000730704_100011215228 [0,1,0,0,0,0|2,1,0]=4 504 B13R1.149 C=C(C)CCSc1cccc(c1)C 62a_100011215228_100000730704 [0,1,0,0,0,0|2,1,0]=4 505 B13R1.149 C=C(C)CCSc1cccc(c1)Cl 62a_100000699651_100000730704 [0,1,0,0,0,0|2,1,0]=4 506 B13R1.149 C=C(C)CCSc1cccc(c1)Cl 62a_100000730704_100000699651 [0,1,0,0,0,0|2,1,0]=4 507 B13R1.149 C=C(C)CCSc1cccc(c1)F 62a_100000685547_100000730704 [0,1,0,0,0,0|2,1,0]=4 508 B13R1.149 C=C(C)CCSc1cccc(c1)F 62a_100000730704_100000685547 [0,1,0,0,0,0|2,1,0]=4 509 B13R1.149 C=C(C)CCSc1cccc(c1)N 62a_100000210019_100000730704 [0,1,0,0,0,0|2,1,0]=4 510 B13R1.149 C=C(C)CCSc1cccc(c1)N 62a_100000730704_100000210019 [0,1,0,0,0,0|2,1,0]=4 511 B13R1.149 C=C(C)CCSc1cccc(c1)O 62a_100000730704_100000211634 [0,1,0,0,0,0|2,1,0]=4 512 B13R1.149 C=C(C)CCSc1cccc(c1)[S] 62a_100000730704_114929384022 [0,1,0,0,0,0|2,1,0]=4 513 B13R1.149 C=C(C)CCSc1cccc(c1)[S] 62a_114929384022_100000730704 [0,1,0,0,0,0|2,1,0]=4 514 B13R1.149 CC(=CCOc1cccc(c1)Br)C 34a_100000210342_100000761012 [0,1,0,0,0,0|2,0,1]=4 515 B13R1.149 CC(=CCOc1cccc(c1)Br)C 7a_100000210342_100000761012 [0,1,0,0,0,0|2,0,1]=4 516 B13R1.149 CC(=CCOc1cccc(c1)C)C 34a_100000210337_100000761012 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.149 CC(=CCOc1cccc(c1)C)C 7a_100000210337_100000761012 [0,1,0,0,0,0|2,0,1]=4 518 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 34a_100000210295_100000761012 [0,1,0,0,0,0|2,0,1]=4 519 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 7a_100000210295_100000761012 [0,1,0,0,0,0|2,0,1]=4 520 B13R1.149 CC(=CCOc1cccc(c1)F)C 34a_100000210426_100000761012 [0,1,0,0,0,0|2,0,1]=4 521 B13R1.149 CC(=CCOc1cccc(c1)F)C 7a_100000210426_100000761012 [0,1,0,0,0,0|2,0,1]=4 522 B13R1.149 CC(=CCOc1cccc(c1)I)C 34a_100000211634_100000761012 [0,1,0,0,0,0|2,0,1]=4 523 B13R1.149 CC(=CCOc1cccc(c1)I)C 7a_100000211634_100000761012 [0,1,0,0,0,0|2,0,1]=4 524 B13R1.149 CC(=CCOc1cccc(c1)N)C 34a_100000210217_100000761012 [0,1,0,0,0,0|2,0,1]=4 525 B13R1.149 CC(=O)CC#Cc1cccc(c1)Br 1458a_100000070787_100010706776 [0,1,0,0,0,0|2,0,1]=4 526 B13R1.149 CC(=O)CC#Cc1cccc(c1)F 1458a_100000070787_100010402994 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,1,0,0,0,0|2,0,0]=3 528 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,1,0,0,0,0|2,0,0]=3 529 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,1,0,0,0,0|2,0,0]=3 530 B13R1.149 CC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000053229 [0,1,0,0,0,0|2,0,0]=3 531 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000070787_100000183150 [0,1,0,0,0,0|1,0,0]=2 532 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000183437_200000210301 [0,1,0,0,0,0|1,0,0]=2 533 B13R1.149 CC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000053229 [0,1,0,0,0,0|1,0,0]=2 534 B13R1.149 CC(=O)CCOc1cccc(c1)C 1458a_100000182325_200000210301 [0,1,0,0,0,0|1,0,0]=2 535 B13R1.149 CC(=O)CCOc1cccc(c1)C 7a_100000210337_100000053229 [0,1,0,0,0,0|1,0,0]=2 536 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000070787_100000181161 [0,1,0,0,0,0|1,0,0]=2 537 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200000210301 [0,1,0,0,0,0|1,0,0]=2 538 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000053229 [0,1,0,0,0,0|1,0,0]=2 539 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000070787_100000739188 [0,1,0,0,0,0|1,0,0]=2 540 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000737089_200000210301 [0,1,0,0,0,0|1,0,0]=2 541 B13R1.149 CC(=O)CCOc1cccc(c1)F 7a_100000210426_100000053229 [0,1,0,0,0,0|1,0,0]=2 542 B13R1.149 CC(=O)CCOc1cccc(c1)I 7a_100000211634_100000053229 [0,1,0,0,0,0|1,0,0]=2 543 B13R1.149 CC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000053229 [0,1,0,0,0,0|2,0,0]=3 544 B13R1.149 CC(=O)CCOc1cncc(c1)C 7a_100011830280_100000053229 [0,1,0,0,0,0|2,0,0]=3 545 B13R1.149 CC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000053229 [0,1,0,0,0,0|2,0,0]=3 546 B13R1.149 CC(=O)CCOc1cncc(c1)F 7a_100011830296_100000053229 [0,1,0,0,0,0|2,0,0]=3 547 B13R1.149 CC(=O)CCSc1cc(=O)cc[nH]1 62a_100009817434_100000053229 [0,1,0,0,0,0|2,1,0]=4 548 B13R1.149 CC(=O)CCSc1cc(ccn1)C 62a_100000053229_100000750283 [0,1,0,0,0,0|2,1,0]=4 549 B13R1.149 CC(=O)CCSc1cc(ccn1)C 62a_100000750283_100000053229 [0,1,0,0,0,0|2,1,0]=4 550 B13R1.149 CC(=O)CCSc1cc(ccn1)Cl 62a_100000053229_100010167805 [0,1,0,0,0,0|2,1,0]=4 551 B13R1.149 CC(=O)CCSc1cc(ccn1)Cl 62a_100010167805_100000053229 [0,1,0,0,0,0|2,1,0]=4 552 B13R1.149 CC(=O)CCSc1cc(ccn1)F 62a_100000053229_100000764206 [0,1,0,0,0,0|2,1,0]=4 553 B13R1.149 CC(=O)CCSc1cc(ccn1)F 62a_100000764206_100000053229 [0,1,0,0,0,0|2,1,0]=4 554 B13R1.149 CC(=O)CCSc1cc(ccn1)N 62a_100000053229_100009814236 [0,1,0,0,0,0|2,1,0]=4 555 B13R1.149 CC(=O)CCSc1cc(ccn1)N 62a_100009814236_100000053229 [0,1,0,0,0,0|2,1,0]=4 556 B13R1.149 CC(=O)CCSc1cc(ccn1)O 62a_100000053229_100000762945 [0,1,0,0,0,0|2,1,0]=4 557 B13R1.149 CC(=O)CCSc1cc[nH]c(=O)c1 62a_100000053229_100009816521 [0,1,0,0,0,0|2,1,0]=4 558 B13R1.149 CC(=O)CCSc1cc[nH]c(=O)c1 62a_100009816521_100000053229 [0,1,0,0,0,0|2,1,0]=4 559 B13R1.149 CC(=O)CCSc1ccc[n+](c1)C 62a_100000053229_100009996589 [0,1,0,0,0,0|2,1,0]=4 560 B13R1.149 CC(=O)CCSc1ccc[n+](c1)C 62a_100009996589_100000053229 [0,1,0,0,0,0|2,1,0]=4 561 B13R1.149 CC(=O)CCSc1ccc[n+](c1)[O-] 62a_100000053229_100009815978 [0,1,0,0,0,0|2,1,0]=4 562 B13R1.149 CC(=O)CCSc1cccc(=O)[nH]1 62a_100000053229_100000752884 [0,1,0,0,0,0|2,1,0]=4 563 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000053229_100000691529 [0,1,0,0,0,0|1,1,0]=3 564 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000053229 [0,1,0,0,0,0|1,1,0]=3 565 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100000053229_100011215228 [0,1,0,0,0,0|1,1,0]=3 566 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100011215228_100000053229 [0,1,0,0,0,0|1,1,0]=3 567 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000053229_100000699651 [0,1,0,0,0,0|1,1,0]=3 568 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000053229 [0,1,0,0,0,0|1,1,0]=3 569 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000053229_100000685547 [0,1,0,0,0,0|1,1,0]=3 570 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000685547_100000053229 [0,1,0,0,0,0|1,1,0]=3 571 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000053229_100000210019 [0,1,0,0,0,0|1,1,0]=3 572 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000210019_100000053229 [0,1,0,0,0,0|1,1,0]=3 573 B13R1.149 CC(=O)CCSc1cccc(c1)O 62a_100000053229_100000211634 [0,1,0,0,0,0|1,1,0]=3 574 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_100000053229_114929384022 [0,1,0,0,0,0|1,1,0]=3 575 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000053229 [0,1,0,0,0,0|1,1,0]=3 576 B13R1.149 CC(=O)CCSc1cccc(n1)Br 62a_100000053229_100000684672 [0,1,0,0,0,0|2,1,0]=4 577 B13R1.149 CC(=O)CCSc1cccc(n1)Br 62a_100000684672_100000053229 [0,1,0,0,0,0|2,1,0]=4 578 B13R1.149 CC(=O)CCSc1cccc(n1)C 62a_100000053229_100000742759 [0,1,0,0,0,0|2,1,0]=4 579 B13R1.149 CC(=O)CCSc1cccc(n1)C 62a_100000742759_100000053229 [0,1,0,0,0,0|2,1,0]=4 580 B13R1.149 CC(=O)CCSc1cccc(n1)Cl 62a_100000051397_100000053229 [0,1,0,0,0,0|2,1,0]=4 581 B13R1.149 CC(=O)CCSc1cccc(n1)Cl 62a_100000053229_100000051397 [0,1,0,0,0,0|2,1,0]=4 582 B13R1.149 CC(=O)CCSc1cccc(n1)F 62a_100000053229_100009815982 [0,1,0,0,0,0|2,1,0]=4 583 B13R1.149 CC(=O)CCSc1cccc(n1)F 62a_100009815982_100000053229 [0,1,0,0,0,0|2,1,0]=4 584 B13R1.149 CC(=O)CCSc1cccc(n1)N 62a_100000053229_100000740741 [0,1,0,0,0,0|2,1,0]=4 585 B13R1.149 CC(=O)CCSc1cccc(n1)N 62a_100000740741_100000053229 [0,1,0,0,0,0|2,1,0]=4 586 B13R1.149 CC(=O)CCSc1ccnc(c1)Br 62a_100000053229_100009814637 [0,1,0,0,0,0|2,1,0]=4 587 B13R1.149 CC(=O)CCSc1ccnc(c1)Br 62a_100009814637_100000053229 [0,1,0,0,0,0|2,1,0]=4 588 B13R1.149 CC(=O)CCSc1ccnc(c1)C 62a_100000053229_100000758586 [0,1,0,0,0,0|2,1,0]=4 589 B13R1.149 CC(=O)CCSc1ccnc(c1)C 62a_100000758586_100000053229 [0,1,0,0,0,0|2,1,0]=4 590 B13R1.149 CC(=O)CCSc1ccnc(c1)Cl 62a_100000035001_100000053229 [0,1,0,0,0,0|2,1,0]=4 591 B13R1.149 CC(=O)CCSc1ccnc(c1)Cl 62a_100000053229_100000035001 [0,1,0,0,0,0|2,1,0]=4 592 B13R1.149 CC(=O)CCSc1ccnc(c1)F 62a_100000053229_100009816116 [0,1,0,0,0,0|2,1,0]=4 593 B13R1.149 CC(=O)CCSc1ccnc(c1)F 62a_100009816116_100000053229 [0,1,0,0,0,0|2,1,0]=4 594 B13R1.149 CC(=O)CCSc1ccnc(c1)N 62a_100000049665_100000053229 [0,1,0,0,0,0|2,1,0]=4 595 B13R1.149 CC(=O)CCSc1ccnc(c1)N 62a_100000053229_100000049665 [0,1,0,0,0,0|2,1,0]=4 596 B13R1.149 CC(=O)CCSc1cncc(c1)Br 62a_100000053229_100000728054 [0,1,0,0,0,0|2,1,0]=4 597 B13R1.149 CC(=O)CCSc1cncc(c1)Br 62a_100000728054_100000053229 [0,1,0,0,0,0|2,1,0]=4 598 B13R1.149 CC(=O)CCSc1cncc(c1)C 62a_100000053229_100000760492 [0,1,0,0,0,0|2,1,0]=4 599 B13R1.149 CC(=O)CCSc1cncc(c1)C 62a_100000760492_100000053229 [0,1,0,0,0,0|2,1,0]=4 600 B13R1.149 CC(=O)CCSc1cncc(c1)Cl 62a_100000049639_100000053229 [0,1,0,0,0,0|2,1,0]=4 601 B13R1.149 CC(=O)CCSc1cncc(c1)Cl 62a_100000053229_100000049639 [0,1,0,0,0,0|2,1,0]=4 602 B13R1.149 CC(=O)CCSc1cncc(c1)F 62a_100000053229_100000744099 [0,1,0,0,0,0|2,1,0]=4 603 B13R1.149 CC(=O)CCSc1cncc(c1)F 62a_100000744099_100000053229 [0,1,0,0,0,0|2,1,0]=4 604 B13R1.149 CC(=O)CCSc1cncc(c1)N 62a_100000053229_100000687067 [0,1,0,0,0,0|2,1,0]=4 605 B13R1.149 CC(=O)CCSc1cncc(c1)N 62a_100000687067_100000053229 [0,1,0,0,0,0|2,1,0]=4 606 B13R1.149 CC(=O)CCSc1cncc(c1)O 62a_100000053229_100000754920 [0,1,0,0,0,0|2,1,0]=4 607 B13R1.149 CC(=O)CCSc1cncc(c1)O 62a_100000754920_100000053229 [0,1,0,0,0,0|2,1,0]=4 608 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [0,1,0,0,0,0|3,0,0]=4 612 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.149 CC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [0,1,0,0,0,0|3,0,0]=4 616 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [0,1,0,0,0,0|3,0,0]=4 627 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [0,1,0,0,0,0|3,0,0]=4 630 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [0,1,0,0,0,0|3,0,0]=4 631 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.149 CC(=O)OCNc1cccc(c1)Br 34a_100000210019_100009813279 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.149 CC(=O)OCNc1cccc(c1)C 34a_100000188690_100009813279 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.149 CC(=O)OCNc1cccc(c1)Cl 34a_100000185859_100009813279 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.149 CC(=O)OCNc1cccc(c1)F 34a_100000210047_100009813279 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.149 CC(=O)OCNc1cccc(c1)I 34a_100000211102_100009813279 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.149 CC(=O)OCNc1cccc(c1)O 34a_100000210217_100009813279 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.149 CC(=O)OCOc1cc[nH]c(=O)c1 34a_100000032262_100009813279 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.149 CC(=O)OCOc1ccc[n+](c1)[O-] 34a_100000039713_100009813279 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.149 CC(=O)OCOc1cccc(=O)[nH]1 34a_100000033347_100009813279 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.149 CC(=O)OCOc1cccc(c1)Br 34a_100000210342_100009813279 [0,1,0,0,0,0|2,0,0]=3 643 B13R1.149 CC(=O)OCOc1cccc(c1)C 34a_100000210337_100009813279 [0,1,0,0,0,0|2,0,0]=3 644 B13R1.149 CC(=O)OCOc1cccc(c1)Cl 34a_100000210295_100009813279 [0,1,0,0,0,0|2,0,0]=3 645 B13R1.149 CC(=O)OCOc1cccc(c1)F 34a_100000210426_100009813279 [0,1,0,0,0,0|2,0,0]=3 646 B13R1.149 CC(=O)OCOc1cccc(c1)I 34a_100000211634_100009813279 [0,1,0,0,0,0|2,0,0]=3 647 B13R1.149 CC(=O)OCOc1cccc(c1)N 34a_100000210217_100009813279 [0,1,0,0,0,0|2,0,0]=3 648 B13R1.149 CC(=O)OCOc1cccc(n1)F 34a_100011432558_100009813279 [0,1,0,0,0,0|3,0,0]=4 649 B13R1.149 CC(=O)OCOc1ccnc(c1)C 34a_100000688365_100009813279 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.149 CC(=O)OCOc1ccnc(c1)Cl 34a_100000762945_100009813279 [0,1,0,0,0,0|3,0,0]=4 651 B13R1.149 CC(=O)OCOc1ccnc(c1)F 34a_100000732698_100009813279 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.149 CC(=O)OCOc1ccnc(c1)N 34a_100011834064_100009813279 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.149 CC(=O)OCOc1cncc(c1)Br 34a_100000754920_100009813279 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.149 CC(=O)OCOc1cncc(c1)C 34a_100011830280_100009813279 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.149 CC(=O)OCOc1cncc(c1)F 34a_100011830296_100009813279 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.149 CC(=O)OCOc1cncc(c1)N 34a_100011997051_100009813279 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000076356_100000691529 [0,1,0,0,0,0|2,1,0]=4 658 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000076356 [0,1,0,0,0,0|2,1,0]=4 659 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100000076356_100011215228 [0,1,0,0,0,0|2,1,0]=4 660 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100011215228_100000076356 [0,1,0,0,0,0|2,1,0]=4 661 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000076356_100000699651 [0,1,0,0,0,0|2,1,0]=4 662 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000076356 [0,1,0,0,0,0|2,1,0]=4 663 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000076356_100000685547 [0,1,0,0,0,0|2,1,0]=4 664 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000685547_100000076356 [0,1,0,0,0,0|2,1,0]=4 665 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000076356_100000210019 [0,1,0,0,0,0|2,1,0]=4 666 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000210019_100000076356 [0,1,0,0,0,0|2,1,0]=4 667 B13R1.149 CC(=O)OCSc1cccc(c1)O 62a_100000076356_100000211634 [0,1,0,0,0,0|2,1,0]=4 668 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_100000076356_114929384022 [0,1,0,0,0,0|2,1,0]=4 669 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000076356 [0,1,0,0,0,0|2,1,0]=4 670 B13R1.149 CC(C)CCOc1cccc(c1)Br 34a_100000210342_100000210312 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.149 CC(C)CCOc1cccc(c1)Br 7a_100000210342_100000210626 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.149 CC(C)CCOc1cccc(c1)Cl 34a_100000210295_100000210312 [0,1,0,0,0,0|2,0,1]=4 673 B13R1.149 CC(C)CCOc1cccc(c1)Cl 7a_100000210295_100000210626 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.149 CC(C)CCOc1cccc(c1)F 34a_100000210426_100000210312 [0,1,0,0,0,0|2,0,1]=4 675 B13R1.149 CC(C)CCOc1cccc(c1)F 7a_100000210426_100000210626 [0,1,0,0,0,0|2,0,1]=4 676 B13R1.149 CC(C)CCOc1cccc(c1)I 34a_100000211634_100000210312 [0,1,0,0,0,0|2,0,1]=4 677 B13R1.149 CC(C)CCOc1cccc(c1)I 7a_100000211634_100000210626 [0,1,0,0,0,0|2,0,1]=4 678 B13R1.149 CC(C)CCOc1cccc(c1)N 34a_100000210217_100000210312 [0,1,0,0,0,0|2,0,1]=4 679 B13R1.149 CC(O)CCNc1cccc(c1)Br 34a_100000210019_100012276601 [0,1,0,0,0,0|2,0,1]=4 680 B13R1.149 CC(O)CCNc1cccc(c1)Cl 34a_100000185859_100012276601 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.149 CC(O)CCNc1cccc(c1)F 34a_100000210047_100012276601 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.149 CC(O)CCNc1cccc(c1)I 34a_100000211102_100012276601 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.149 CC(O)CCNc1cccc(c1)O 34a_100000210217_100012276601 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.149 CC(O)CCOc1cc[nH]c(=O)c1 34a_100000032262_100012276601 [0,1,0,0,0,0|2,0,1]=4 685 B13R1.149 CC(O)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100012276601 [0,1,0,0,0,0|2,0,1]=4 686 B13R1.149 CC(O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100012276601 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.149 CC(O)CCOc1cccc(=O)[nH]1 34a_100000033347_100012276601 [0,1,0,0,0,0|2,0,1]=4 688 B13R1.149 CC(O)CCOc1cccc(c1)Br 34a_100000210342_100012276601 [0,1,0,0,0,0|1,0,1]=3 689 B13R1.149 CC(O)CCOc1cccc(c1)Br 7a_100000210342_100012276601 [0,1,0,0,0,0|1,0,1]=3 690 B13R1.149 CC(O)CCOc1cccc(c1)Cl 34a_100000210295_100012276601 [0,1,0,0,0,0|1,0,1]=3 691 B13R1.149 CC(O)CCOc1cccc(c1)Cl 7a_100000210295_100012276601 [0,1,0,0,0,0|1,0,1]=3 692 B13R1.149 CC(O)CCOc1cccc(c1)F 34a_100000210426_100012276601 [0,1,0,0,0,0|1,0,1]=3 693 B13R1.149 CC(O)CCOc1cccc(c1)F 7a_100000210426_100012276601 [0,1,0,0,0,0|1,0,1]=3 694 B13R1.149 CC(O)CCOc1cccc(c1)I 34a_100000211634_100012276601 [0,1,0,0,0,0|1,0,1]=3 695 B13R1.149 CC(O)CCOc1cccc(c1)I 7a_100000211634_100012276601 [0,1,0,0,0,0|1,0,1]=3 696 B13R1.149 CC(O)CCOc1cccc(c1)N 34a_100000210217_100012276601 [0,1,0,0,0,0|1,0,1]=3 697 B13R1.149 CC(O)CCOc1cccc(n1)F 34a_100011432558_100012276601 [0,1,0,0,0,0|2,0,1]=4 698 B13R1.149 CC(O)CCOc1ccnc(c1)Cl 34a_100000762945_100012276601 [0,1,0,0,0,0|2,0,1]=4 699 B13R1.149 CC(O)CCOc1ccnc(c1)F 34a_100000732698_100012276601 [0,1,0,0,0,0|2,0,1]=4 700 B13R1.149 CC(O)CCOc1ccnc(c1)N 34a_100011834064_100012276601 [0,1,0,0,0,0|2,0,1]=4 701 B13R1.149 CC(O)CCOc1cncc(c1)Br 34a_100000754920_100012276601 [0,1,0,0,0,0|2,0,1]=4 702 B13R1.149 CC(O)CCOc1cncc(c1)Br 7a_100000754920_100012276601 [0,1,0,0,0,0|2,0,1]=4 703 B13R1.149 CC(O)CCOc1cncc(c1)Cl 7a_100000032511_100012276601 [0,1,0,0,0,0|2,0,1]=4 704 B13R1.149 CC(O)CCOc1cncc(c1)F 34a_100011830296_100012276601 [0,1,0,0,0,0|2,0,1]=4 705 B13R1.149 CC(O)CCOc1cncc(c1)F 7a_100011830296_100012276601 [0,1,0,0,0,0|2,0,1]=4 706 B13R1.149 CC(O)CCOc1cncc(c1)N 34a_100011997051_100012276601 [0,1,0,0,0,0|2,0,1]=4 707 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100000691529_100012276601 [0,1,0,0,0,0|1,1,1]=4 708 B13R1.149 CC(O)CCSc1cccc(c1)Br 62a_100012276601_100000691529 [0,1,0,0,0,0|1,1,1]=4 709 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100000699651_100012276601 [0,1,0,0,0,0|1,1,1]=4 710 B13R1.149 CC(O)CCSc1cccc(c1)Cl 62a_100012276601_100000699651 [0,1,0,0,0,0|1,1,1]=4 711 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100000685547_100012276601 [0,1,0,0,0,0|1,1,1]=4 712 B13R1.149 CC(O)CCSc1cccc(c1)F 62a_100012276601_100000685547 [0,1,0,0,0,0|1,1,1]=4 713 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100000210019_100012276601 [0,1,0,0,0,0|1,1,1]=4 714 B13R1.149 CC(O)CCSc1cccc(c1)N 62a_100012276601_100000210019 [0,1,0,0,0,0|1,1,1]=4 715 B13R1.149 CC(O)CCSc1cccc(c1)O 62a_100012276601_100000211634 [0,1,0,0,0,0|1,1,1]=4 716 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_100012276601_114929384022 [0,1,0,0,0,0|1,1,1]=4 717 B13R1.149 CC(O)CCSc1cccc(c1)[S] 62a_114929384022_100012276601 [0,1,0,0,0,0|1,1,1]=4 718 B13R1.149 CN(C)CCOc1cccc(c1)Br 2230a_100102631434_100000183150 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.149 CN(C)CCOc1cccc(c1)Br 2230a_200000225663_200000210301 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.149 CN(C)CCOc1cccc(c1)Br 269982a_100102631434_100000183150 [0,1,0,0,0,0|3,0,0]=4 721 B13R1.149 CN(C)CCOc1cccc(c1)Br 269982a_200000225663_200000210301 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.149 CN(C)CCOc1cccc(c1)Br 34a_200000225663_200000210301 [0,1,0,0,0,0|3,0,0]=4 723 B13R1.149 CN(C)CCOc1cccc(c1)Br 7a_100000210342_100000755713 [0,1,0,0,0,0|3,0,0]=4 724 B13R1.149 CN(C)CCOc1cccc(c1)Cl 2230a_100000225664_200000210301 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.149 CN(C)CCOc1cccc(c1)Cl 2230a_100102631434_100000181161 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.149 CN(C)CCOc1cccc(c1)Cl 269982a_100000225664_200000210301 [0,1,0,0,0,0|3,0,0]=4 727 B13R1.149 CN(C)CCOc1cccc(c1)Cl 269982a_100102631434_100000181161 [0,1,0,0,0,0|3,0,0]=4 728 B13R1.149 CN(C)CCOc1cccc(c1)Cl 34a_100000225664_200000210301 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.149 CN(C)CCOc1cccc(c1)Cl 7a_100000210295_100000755713 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.149 CN(C)CCOc1cccc(c1)F 2230a_100102631434_100000739188 [0,1,0,0,0,0|3,0,0]=4 731 B13R1.149 CN(C)CCOc1cccc(c1)F 269982a_100102631434_100000739188 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.149 CN(C)CCOc1cccc(c1)F 7a_100000210426_100000755713 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.149 CN(C)CCOc1cccc(c1)I 7a_100000211634_100000755713 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.149 CN(C)CCOc1cccc(c1)O 271570a_203496583355_100138557206 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.149 CN([13CH3])CCOc1cccc(c1)Br 2230a_200000225663_200025704644 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.149 CN([13CH3])CCOc1cccc(c1)Br 269982a_200000225663_200025704644 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.149 CN([13CH3])CCOc1cccc(c1)Br 34a_200000225663_200025704644 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.149 CN([13CH3])CCOc1cccc(c1)Cl 2230a_100000225664_200025704644 [0,1,0,0,0,0|3,0,0]=4 739 B13R1.149 CN([13CH3])CCOc1cccc(c1)Cl 269982a_100000225664_200025704644 [0,1,0,0,0,0|3,0,0]=4 740 B13R1.149 CN([13CH3])CCOc1cccc(c1)Cl 34a_100000225664_200025704644 [0,1,0,0,0,0|3,0,0]=4 741 B13R1.149 C[n+]1cccc(c1)SCCC(=O)N 62a_100000744528_100009996589 [0,1,0,0,0,0|2,1,0]=4 742 B13R1.149 C[n+]1cccc(c1)SCCC(=O)N 62a_100009996589_100000744528 [0,1,0,0,0,0|2,1,0]=4 743 B13R1.149 Cc1cc(ccn1)CNCC(=O)O 269956a_100016091260_200020672517 [0,1,0,0,0,0|3,0,0]=4 744 B13R1.149 Cc1cc(ccn1)NCCC(=O)N 27a_100000740010_100000758586 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.149 Cc1cc(ccn1)OCCC(=O)N 34a_100000688365_100000731001 [0,1,0,0,0,0|2,0,0]=3 746 B13R1.149 Cc1cc(ccn1)OCCC(C)O 34a_100000688365_100012276601 [0,1,0,0,0,0|2,0,1]=4 747 B13R1.149 Cc1cc(ccn1)SCCC(=O)N 62a_100000744528_100000758586 [0,1,0,0,0,0|2,1,0]=4 748 B13R1.149 Cc1cc(ccn1)SCCC(=O)N 62a_100000758586_100000744528 [0,1,0,0,0,0|2,1,0]=4 749 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000185548_100000747473 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000211840 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.149 Cc1cccc(c1)CNCC(=O)N 34a_100000185548_100000187820 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,1,0,0,0,0|2,0,0]=3 753 B13R1.149 Cc1cccc(c1)CNCC(=O)[O-] 34a_100000185548_100020667443 [0,1,0,0,0,0|2,0,1]=4 754 B13R1.149 Cc1cccc(c1)COCC(=O)N 34a_100011217746_100000187820 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.149 Cc1cccc(c1)COCC(=O)N 7a_100011217746_100000187820 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.149 Cc1cccc(c1)COCC(=O)[O-] 34a_100011217746_100020667443 [0,1,0,0,0,0|2,0,1]=4 757 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000211840_100000747473 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211840 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100000211840_100020667443 [0,1,0,0,0,0|2,0,1]=4 760 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100000211840 [0,1,0,0,0,0|2,0,1]=4 761 B13R1.149 Cc1cccc(c1)NCCC(=O)N 2230a_100000188690_100000744528 [0,1,0,0,0,0|2,0,0]=3 762 B13R1.149 Cc1cccc(c1)NCCC(=O)N 34a_100000188690_100000731001 [0,1,0,0,0,0|2,0,0]=3 763 B13R1.149 Cc1cccc(c1)NCCC(C)O 2230a_100000188690_100012276601 [0,1,0,0,0,0|2,0,1]=4 764 B13R1.149 Cc1cccc(c1)NCCC(C)O 34a_100000188690_100012276601 [0,1,0,0,0,0|2,0,1]=4 765 B13R1.149 Cc1cccc(c1)OCCC(=O)N 34a_100000210337_100000731001 [0,1,0,0,0,0|1,0,0]=2 766 B13R1.149 Cc1cccc(c1)OCCC(=O)N 7a_100000210337_100000744528 [0,1,0,0,0,0|1,0,0]=2 767 B13R1.149 Cc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000182325_200025704644 [0,1,0,0,0,0|1,0,0]=2 768 B13R1.149 Cc1cccc(c1)OCCC(C)C 34a_100000210337_100000210312 [0,1,0,0,0,0|2,0,1]=4 769 B13R1.149 Cc1cccc(c1)OCCC(C)C 7a_100000210337_100000210626 [0,1,0,0,0,0|2,0,1]=4 770 B13R1.149 Cc1cccc(c1)OCCC(C)O 34a_100000210337_100012276601 [0,1,0,0,0,0|1,0,1]=3 771 B13R1.149 Cc1cccc(c1)OCCC(C)O 7a_100000210337_100012276601 [0,1,0,0,0,0|1,0,1]=3 772 B13R1.149 Cc1cccc(c1)OCCN(C)C 2230a_100000741895_200000210301 [0,1,0,0,0,0|3,0,0]=4 773 B13R1.149 Cc1cccc(c1)OCCN(C)C 269982a_100000741895_200000210301 [0,1,0,0,0,0|3,0,0]=4 774 B13R1.149 Cc1cccc(c1)OCCN(C)C 34a_100000741895_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B13R1.149 Cc1cccc(c1)OCCN(C)C 7a_100000210337_100000755713 [0,1,0,0,0,0|3,0,0]=4 776 B13R1.149 Cc1cccc(c1)OCCN(C)[13CH3] 2230a_100000741895_200025704644 [0,1,0,0,0,0|3,0,0]=4 777 B13R1.149 Cc1cccc(c1)OCCN(C)[13CH3] 269982a_100000741895_200025704644 [0,1,0,0,0,0|3,0,0]=4 778 B13R1.149 Cc1cccc(c1)OCCN(C)[13CH3] 34a_100000741895_200025704644 [0,1,0,0,0,0|3,0,0]=4 779 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215228 [0,1,0,0,0,0|1,1,0]=3 780 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100011215228_100000744528 [0,1,0,0,0,0|1,1,0]=3 781 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100011215228_100012276601 [0,1,0,0,0,0|1,1,1]=4 782 B13R1.149 Cc1cccc(c1)SCCC(C)O 62a_100012276601_100011215228 [0,1,0,0,0,0|1,1,1]=4 783 B13R1.149 Cc1cccc(n1)CNCC(=O)O 269956a_100016091260_100000757606 [0,1,0,0,0,0|3,0,0]=4 784 B13R1.149 Cc1cccc(n1)SCCC(=O)N 62a_100000742759_100000744528 [0,1,0,0,0,0|2,1,0]=4 785 B13R1.149 Cc1cccc(n1)SCCC(=O)N 62a_100000744528_100000742759 [0,1,0,0,0,0|2,1,0]=4 786 B13R1.149 Cc1ccnc(c1)CNCC(=O)O 269956a_100016091260_100000718516 [0,1,0,0,0,0|3,0,0]=4 787 B13R1.149 Cc1ccnc(c1)SCCC(=O)N 62a_100000744528_100000750283 [0,1,0,0,0,0|2,1,0]=4 788 B13R1.149 Cc1ccnc(c1)SCCC(=O)N 62a_100000750283_100000744528 [0,1,0,0,0,0|2,1,0]=4 789 B13R1.149 Cc1cncc(c1)CNCC(=O)O 269956a_100016091260_100016988603 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.149 Cc1cncc(c1)OCCC(=O)N 34a_100011830280_100000731001 [0,1,0,0,0,0|2,0,0]=3 791 B13R1.149 Cc1cncc(c1)OCCC(=O)N 7a_100011830280_100000744528 [0,1,0,0,0,0|2,0,0]=3 792 B13R1.149 Cc1cncc(c1)OCCC(C)O 34a_100011830280_100012276601 [0,1,0,0,0,0|2,0,1]=4 793 B13R1.149 Cc1cncc(c1)OCCC(C)O 7a_100011830280_100012276601 [0,1,0,0,0,0|2,0,1]=4 794 B13R1.149 Cc1cncc(c1)SCCC(=O)N 62a_100000744528_100000760492 [0,1,0,0,0,0|2,1,0]=4 795 B13R1.149 Cc1cncc(c1)SCCC(=O)N 62a_100000760492_100000744528 [0,1,0,0,0,0|2,1,0]=4 796 B13R1.149 Cc1cnnc(c1)OCCC(=O)N 34a_100000766097_100000731001 [0,1,0,0,0,0|3,0,0]=4 797 B13R1.149 NC(=O)CCNc1cc(ccn1)F 27a_100000740010_100000764206 [0,1,0,0,0,0|3,0,0]=4 798 B13R1.149 NC(=O)CCNc1cc[nH]c(=O)c1 27a_100000740010_100000061649 [0,1,0,0,0,0|3,0,0]=4 799 B13R1.149 NC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000731001 [0,1,0,0,0,0|2,0,0]=3 800 B13R1.149 NC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000731001 [0,1,0,0,0,0|2,0,0]=3 801 B13R1.149 NC(=O)CCNc1cccc(c1)F 34a_100000210047_100000731001 [0,1,0,0,0,0|2,0,0]=3 802 B13R1.149 NC(=O)CCNc1cccc(c1)I 34a_100000211102_100000731001 [0,1,0,0,0,0|2,0,0]=3 803 B13R1.149 NC(=O)CCNc1cccc(c1)O 34a_100000210217_100000731001 [0,1,0,0,0,0|2,0,0]=3 804 B13R1.149 NC(=O)CCNc1cccc(n1)F 27a_100000740010_100009815982 [0,1,0,0,0,0|3,0,0]=4 805 B13R1.149 NC(=O)CCNc1ccnc(c1)F 27a_100000740010_100009816116 [0,1,0,0,0,0|3,0,0]=4 806 B13R1.149 NC(=O)CCOc1cc[nH]c(=O)c1 34a_100000032262_100000731001 [0,1,0,0,0,0|2,0,0]=3 807 B13R1.149 NC(=O)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000731001 [0,1,0,0,0,0|2,0,0]=3 808 B13R1.149 NC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000744528 [0,1,0,0,0,0|2,0,0]=3 809 B13R1.149 NC(=O)CCOc1cccc(=O)[nH]1 34a_100000033347_100000731001 [0,1,0,0,0,0|2,0,0]=3 810 B13R1.149 NC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000731001 [0,1,0,0,0,0|1,0,0]=2 811 B13R1.149 NC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000744528 [0,1,0,0,0,0|1,0,0]=2 812 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000731001 [0,1,0,0,0,0|1,0,0]=2 813 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000744528 [0,1,0,0,0,0|1,0,0]=2 814 B13R1.149 NC(=O)CCOc1cccc(c1)F 34a_100000210426_100000731001 [0,1,0,0,0,0|1,0,0]=2 815 B13R1.149 NC(=O)CCOc1cccc(c1)F 7a_100000210426_100000744528 [0,1,0,0,0,0|1,0,0]=2 816 B13R1.149 NC(=O)CCOc1cccc(c1)I 34a_100000211634_100000731001 [0,1,0,0,0,0|1,0,0]=2 817 B13R1.149 NC(=O)CCOc1cccc(c1)I 7a_100000211634_100000744528 [0,1,0,0,0,0|1,0,0]=2 818 B13R1.149 NC(=O)CCOc1cccc(c1)N 34a_100000210217_100000731001 [0,1,0,0,0,0|1,0,0]=2 819 B13R1.149 NC(=O)CCOc1cccc(n1)F 34a_100011432558_100000731001 [0,1,0,0,0,0|2,0,0]=3 820 B13R1.149 NC(=O)CCOc1ccnc(c1)Cl 34a_100000762945_100000731001 [0,1,0,0,0,0|2,0,0]=3 821 B13R1.149 NC(=O)CCOc1ccnc(c1)F 34a_100000732698_100000731001 [0,1,0,0,0,0|2,0,0]=3 822 B13R1.149 NC(=O)CCOc1ccnc(c1)N 34a_100011834064_100000731001 [0,1,0,0,0,0|2,0,0]=3 823 B13R1.149 NC(=O)CCOc1cncc(c1)Br 34a_100000754920_100000731001 [0,1,0,0,0,0|2,0,0]=3 824 B13R1.149 NC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000744528 [0,1,0,0,0,0|2,0,0]=3 825 B13R1.149 NC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000744528 [0,1,0,0,0,0|2,0,0]=3 826 B13R1.149 NC(=O)CCOc1cncc(c1)F 34a_100011830296_100000731001 [0,1,0,0,0,0|2,0,0]=3 827 B13R1.149 NC(=O)CCOc1cncc(c1)F 7a_100011830296_100000744528 [0,1,0,0,0,0|2,0,0]=3 828 B13R1.149 NC(=O)CCOc1cncc(c1)N 34a_100011997051_100000731001 [0,1,0,0,0,0|2,0,0]=3 829 B13R1.149 NC(=O)CCOc1cnnc(c1)Cl 34a_200010734679_100000731001 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.149 NC(=O)CCOc1cnnc(c1)N 34a_200015193112_100000731001 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.149 NC(=O)CCSc1cc(=O)cc[nH]1 62a_100009817434_100000744528 [0,1,0,0,0,0|2,1,0]=4 832 B13R1.149 NC(=O)CCSc1cc(ccn1)Cl 62a_100000744528_100010167805 [0,1,0,0,0,0|2,1,0]=4 833 B13R1.149 NC(=O)CCSc1cc(ccn1)Cl 62a_100010167805_100000744528 [0,1,0,0,0,0|2,1,0]=4 834 B13R1.149 NC(=O)CCSc1cc(ccn1)F 62a_100000744528_100000764206 [0,1,0,0,0,0|2,1,0]=4 835 B13R1.149 NC(=O)CCSc1cc(ccn1)F 62a_100000764206_100000744528 [0,1,0,0,0,0|2,1,0]=4 836 B13R1.149 NC(=O)CCSc1cc(ccn1)N 62a_100000744528_100009814236 [0,1,0,0,0,0|2,1,0]=4 837 B13R1.149 NC(=O)CCSc1cc(ccn1)N 62a_100009814236_100000744528 [0,1,0,0,0,0|2,1,0]=4 838 B13R1.149 NC(=O)CCSc1cc(ccn1)O 62a_100000744528_100000762945 [0,1,0,0,0,0|2,1,0]=4 839 B13R1.149 NC(=O)CCSc1cc[nH]c(=O)c1 62a_100000744528_100009816521 [0,1,0,0,0,0|2,1,0]=4 840 B13R1.149 NC(=O)CCSc1cc[nH]c(=O)c1 62a_100009816521_100000744528 [0,1,0,0,0,0|2,1,0]=4 841 B13R1.149 NC(=O)CCSc1ccc[n+](c1)[O-] 62a_100000744528_100009815978 [0,1,0,0,0,0|2,1,0]=4 842 B13R1.149 NC(=O)CCSc1cccc(=O)[nH]1 62a_100000744528_100000752884 [0,1,0,0,0,0|2,1,0]=4 843 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000744528 [0,1,0,0,0,0|1,1,0]=3 844 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000744528_100000691529 [0,1,0,0,0,0|1,1,0]=3 845 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000744528 [0,1,0,0,0,0|1,1,0]=3 846 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000744528_100000699651 [0,1,0,0,0,0|1,1,0]=3 847 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000685547_100000744528 [0,1,0,0,0,0|1,1,0]=3 848 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000744528_100000685547 [0,1,0,0,0,0|1,1,0]=3 849 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000210019_100000744528 [0,1,0,0,0,0|1,1,0]=3 850 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000744528_100000210019 [0,1,0,0,0,0|1,1,0]=3 851 B13R1.149 NC(=O)CCSc1cccc(c1)O 62a_100000744528_100000211634 [0,1,0,0,0,0|1,1,0]=3 852 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_100000744528_114929384022 [0,1,0,0,0,0|1,1,0]=3 853 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000744528 [0,1,0,0,0,0|1,1,0]=3 854 B13R1.149 NC(=O)CCSc1cccc(n1)Br 62a_100000684672_100000744528 [0,1,0,0,0,0|2,1,0]=4 855 B13R1.149 NC(=O)CCSc1cccc(n1)Br 62a_100000744528_100000684672 [0,1,0,0,0,0|2,1,0]=4 856 B13R1.149 NC(=O)CCSc1cccc(n1)Cl 62a_100000051397_100000744528 [0,1,0,0,0,0|2,1,0]=4 857 B13R1.149 NC(=O)CCSc1cccc(n1)Cl 62a_100000744528_100000051397 [0,1,0,0,0,0|2,1,0]=4 858 B13R1.149 NC(=O)CCSc1cccc(n1)F 62a_100000744528_100009815982 [0,1,0,0,0,0|2,1,0]=4 859 B13R1.149 NC(=O)CCSc1cccc(n1)F 62a_100009815982_100000744528 [0,1,0,0,0,0|2,1,0]=4 860 B13R1.149 NC(=O)CCSc1cccc(n1)N 62a_100000740741_100000744528 [0,1,0,0,0,0|2,1,0]=4 861 B13R1.149 NC(=O)CCSc1cccc(n1)N 62a_100000744528_100000740741 [0,1,0,0,0,0|2,1,0]=4 862 B13R1.149 NC(=O)CCSc1ccnc(c1)Br 62a_100000744528_100009814637 [0,1,0,0,0,0|2,1,0]=4 863 B13R1.149 NC(=O)CCSc1ccnc(c1)Br 62a_100009814637_100000744528 [0,1,0,0,0,0|2,1,0]=4 864 B13R1.149 NC(=O)CCSc1ccnc(c1)Cl 62a_100000035001_100000744528 [0,1,0,0,0,0|2,1,0]=4 865 B13R1.149 NC(=O)CCSc1ccnc(c1)Cl 62a_100000744528_100000035001 [0,1,0,0,0,0|2,1,0]=4 866 B13R1.149 NC(=O)CCSc1ccnc(c1)F 62a_100000744528_100009816116 [0,1,0,0,0,0|2,1,0]=4 867 B13R1.149 NC(=O)CCSc1ccnc(c1)F 62a_100009816116_100000744528 [0,1,0,0,0,0|2,1,0]=4 868 B13R1.149 NC(=O)CCSc1ccnc(c1)N 62a_100000049665_100000744528 [0,1,0,0,0,0|2,1,0]=4 869 B13R1.149 NC(=O)CCSc1ccnc(c1)N 62a_100000744528_100000049665 [0,1,0,0,0,0|2,1,0]=4 870 B13R1.149 NC(=O)CCSc1cncc(c1)Br 62a_100000728054_100000744528 [0,1,0,0,0,0|2,1,0]=4 871 B13R1.149 NC(=O)CCSc1cncc(c1)Br 62a_100000744528_100000728054 [0,1,0,0,0,0|2,1,0]=4 872 B13R1.149 NC(=O)CCSc1cncc(c1)Cl 62a_100000049639_100000744528 [0,1,0,0,0,0|2,1,0]=4 873 B13R1.149 NC(=O)CCSc1cncc(c1)Cl 62a_100000744528_100000049639 [0,1,0,0,0,0|2,1,0]=4 874 B13R1.149 NC(=O)CCSc1cncc(c1)F 62a_100000744099_100000744528 [0,1,0,0,0,0|2,1,0]=4 875 B13R1.149 NC(=O)CCSc1cncc(c1)F 62a_100000744528_100000744099 [0,1,0,0,0,0|2,1,0]=4 876 B13R1.149 NC(=O)CCSc1cncc(c1)N 62a_100000687067_100000744528 [0,1,0,0,0,0|2,1,0]=4 877 B13R1.149 NC(=O)CCSc1cncc(c1)N 62a_100000744528_100000687067 [0,1,0,0,0,0|2,1,0]=4 878 B13R1.149 NC(=O)CCSc1cncc(c1)O 62a_100000744528_100000754920 [0,1,0,0,0,0|2,1,0]=4 879 B13R1.149 NC(=O)CCSc1cncc(c1)O 62a_100000754920_100000744528 [0,1,0,0,0,0|2,1,0]=4 880 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747473 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000711301_100000698116 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.149 NC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000187820 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747473 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000711301_100000181238 [0,1,0,0,0,0|3,0,0]=4 885 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000187820 [0,1,0,0,0,0|3,0,0]=4 886 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747473 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000711301_100000230114 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.149 NC(=O)CNCc1cccc(c1)F 34a_100000174948_100000187820 [0,1,0,0,0,0|3,0,0]=4 889 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747473 [0,1,0,0,0,0|3,0,0]=4 890 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000711301_100011218688 [0,1,0,0,0,0|3,0,0]=4 891 B13R1.149 NC(=O)CNCc1cccc(c1)I 34a_100000106179_100000187820 [0,1,0,0,0,0|3,0,0]=4 892 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000711301_100011660834 [0,1,0,0,0,0|3,0,0]=4 893 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747473 [0,1,0,0,0,0|3,0,0]=4 894 B13R1.149 NC(=O)CNCc1cccc(c1)O 34a_100000743036_100000187820 [0,1,0,0,0,0|3,0,0]=4 895 B13R1.149 NC(=O)COCc1cccc(c1)Br 34a_100000687537_100000187820 [0,1,0,0,0,0|3,0,0]=4 896 B13R1.149 NC(=O)COCc1cccc(c1)Br 7a_100000687537_100000187820 [0,1,0,0,0,0|3,0,0]=4 897 B13R1.149 NC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000187820 [0,1,0,0,0,0|3,0,0]=4 898 B13R1.149 NC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000187820 [0,1,0,0,0,0|3,0,0]=4 899 B13R1.149 NC(=O)COCc1cccc(c1)F 34a_100000210976_100000187820 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.149 NC(=O)COCc1cccc(c1)F 7a_100000210976_100000187820 [0,1,0,0,0,0|3,0,0]=4 901 B13R1.149 NC(=O)COCc1cccc(c1)I 34a_100011215336_100000187820 [0,1,0,0,0,0|3,0,0]=4 902 B13R1.149 NC(=O)COCc1cccc(c1)I 7a_100011215336_100000187820 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.149 NC(=O)COCc1cccc(c1)N 34a_100000211919_100000187820 [0,1,0,0,0,0|3,0,0]=4 904 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747473 [0,1,0,0,0,0|3,0,0]=4 905 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000747473_100000211773 [0,1,0,0,0,0|3,0,0]=4 906 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747473 [0,1,0,0,0,0|3,0,0]=4 907 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000747473_100000187163 [0,1,0,0,0,0|3,0,0]=4 908 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747473 [0,1,0,0,0,0|3,0,0]=4 909 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000747473_100000230114 [0,1,0,0,0,0|3,0,0]=4 910 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100000747473_100011218688 [0,1,0,0,0,0|3,0,0]=4 911 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747473 [0,1,0,0,0,0|3,0,0]=4 912 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100000747473_100011660834 [0,1,0,0,0,0|3,0,0]=4 913 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747473 [0,1,0,0,0,0|3,0,0]=4 914 B13R1.149 Nc1cccc(c1)COCC(=O)[O-] 34a_100000211919_100020667443 [0,1,0,0,0,0|2,0,1]=4 915 B13R1.149 O=C(O)CNCc1cc(ccn1)Br 269956a_100016091260_100010173614 [0,1,0,0,0,0|3,0,0]=4 916 B13R1.149 O=C(O)CNCc1cc(ccn1)Cl 269956a_100016091260_100016988179 [0,1,0,0,0,0|3,0,0]=4 917 B13R1.149 O=C(O)CNCc1cccc(c1)Br 269956a_100016091260_100000211773 [0,1,0,0,0,0|2,0,0]=3 918 B13R1.149 O=C(O)CNCc1cccc(c1)Cl 269956a_100016091260_100000187163 [0,1,0,0,0,0|2,0,0]=3 919 B13R1.149 O=C(O)CNCc1cccc(c1)F 269956a_100016091260_100000230114 [0,1,0,0,0,0|2,0,0]=3 920 B13R1.149 O=C(O)CNCc1cccc(c1)I 269956a_100016091260_100011218688 [0,1,0,0,0,0|2,0,0]=3 921 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [0,1,0,0,0,0|2,0,0]=3 922 B13R1.149 O=C(O)CNCc1cccc(n1)Br 269956a_100016091260_100009889011 [0,1,0,0,0,0|3,0,0]=4 923 B13R1.149 O=C(O)CNCc1cccc(n1)Cl 269956a_100016091260_100000086093 [0,1,0,0,0,0|3,0,0]=4 924 B13R1.149 O=C(O)CNCc1cccc(n1)F 269956a_100016091260_100009819644 [0,1,0,0,0,0|3,0,0]=4 925 B13R1.149 O=C(O)CNCc1ccnc(c1)Br 269956a_100016091260_100010254460 [0,1,0,0,0,0|3,0,0]=4 926 B13R1.149 O=C(O)CNCc1ccnc(c1)Cl 269956a_100016091260_100000764220 [0,1,0,0,0,0|3,0,0]=4 927 B13R1.149 O=C(O)CNCc1cncc(c1)Br 269956a_100016091260_100000738771 [0,1,0,0,0,0|3,0,0]=4 928 B13R1.149 O=C(O)CNCc1cncc(c1)Cl 269956a_100016091260_100016992070 [0,1,0,0,0,0|3,0,0]=4 929 B13R1.149 O=C(O)CNCc1cncc(c1)F 269956a_100016091260_100000725299 [0,1,0,0,0,0|3,0,0]=4 930 B13R1.149 O=C([O-])CNCc1cccc(c1)Br 34a_100000174977_100020667443 [0,1,0,0,0,0|2,0,1]=4 931 B13R1.149 O=C([O-])CNCc1cccc(c1)Cl 34a_100000174878_100020667443 [0,1,0,0,0,0|2,0,1]=4 932 B13R1.149 O=C([O-])CNCc1cccc(c1)F 34a_100000174948_100020667443 [0,1,0,0,0,0|2,0,1]=4 933 B13R1.149 O=C([O-])CNCc1cccc(c1)I 34a_100000106179_100020667443 [0,1,0,0,0,0|2,0,1]=4 934 B13R1.149 O=C([O-])CNCc1cccc(c1)O 34a_100000743036_100020667443 [0,1,0,0,0,0|2,0,1]=4 935 B13R1.149 O=C([O-])COCc1cccc(c1)Br 34a_100000687537_100020667443 [0,1,0,0,0,0|2,0,1]=4 936 B13R1.149 O=C([O-])COCc1cccc(c1)Cl 34a_100000241301_100020667443 [0,1,0,0,0,0|2,0,1]=4 937 B13R1.149 O=C([O-])COCc1cccc(c1)F 34a_100000210976_100020667443 [0,1,0,0,0,0|2,0,1]=4 938 B13R1.149 O=C([O-])COCc1cccc(c1)I 34a_100011215336_100020667443 [0,1,0,0,0,0|2,0,1]=4 939 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100000211773_100020667443 [0,1,0,0,0,0|2,0,1]=4 940 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100020667443_100000211773 [0,1,0,0,0,0|2,0,1]=4 941 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100000187163_100020667443 [0,1,0,0,0,0|2,0,1]=4 942 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100020667443_100000187163 [0,1,0,0,0,0|2,0,1]=4 943 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100000230114_100020667443 [0,1,0,0,0,0|2,0,1]=4 944 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100020667443_100000230114 [0,1,0,0,0,0|2,0,1]=4 945 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100011218688_100020667443 [0,1,0,0,0,0|2,0,1]=4 946 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100020667443_100011218688 [0,1,0,0,0,0|2,0,1]=4 947 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100011660834_100020667443 [0,1,0,0,0,0|2,0,1]=4 948 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100020667443_100011660834 [0,1,0,0,0,0|2,0,1]=4 949 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,1,0,0,0,0|2,0,0]=3 950 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Br 1458a_100000183437_200025704644 [0,1,0,0,0,0|1,0,0]=2 951 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200025704644 [0,1,0,0,0,0|1,0,0]=2 952 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)F 1458a_100000737089_200025704644 [0,1,0,0,0,0|1,0,0]=2 953 B13R1.149 [13CH3]C(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200025704644 [0,1,0,0,0,0|3,0,0]=4 954 B13R1.158 C=C(C)CCNc1ccccc1Br 34a_100000210017_100000730704 [0,1,0,0,0,0|3,0,0]=4 955 B13R1.158 C=C(C)CCNc1ccccc1C 34a_100015192222_100000730704 [0,1,0,0,0,0|3,0,0]=4 956 B13R1.158 C=C(C)CCNc1ccccc1Cl 34a_100000185783_100000730704 [0,1,0,0,0,0|3,0,0]=4 957 B13R1.158 C=C(C)CCNc1ccccc1F 34a_100000210422_100000730704 [0,1,0,0,0,0|3,0,0]=4 958 B13R1.158 C=C(C)CCNc1ccccc1I 34a_100000210053_100000730704 [0,1,0,0,0,0|3,0,0]=4 959 B13R1.158 C=C(C)CCNc1ccccc1O 34a_100000185747_100000730704 [0,1,0,0,0,0|3,0,0]=4 960 B13R1.158 C=C(C)CCOc1cccc[n+]1[O-] 7a_100000211761_100000730704 [0,1,0,0,0,0|3,0,0]=4 961 B13R1.158 C=C(C)CCOc1ccccc1Br 34a_100000181306_100000730704 [0,1,0,0,0,0|2,0,0]=3 962 B13R1.158 C=C(C)CCOc1ccccc1Br 7a_100000181306_100000730704 [0,1,0,0,0,0|2,0,0]=3 963 B13R1.158 C=C(C)CCOc1ccccc1C 34a_100000210338_100000730704 [0,1,0,0,0,0|2,0,0]=3 964 B13R1.158 C=C(C)CCOc1ccccc1C 7a_100000210338_100000730704 [0,1,0,0,0,0|2,0,0]=3 965 B13R1.158 C=C(C)CCOc1ccccc1Cl 34a_100000210172_100000730704 [0,1,0,0,0,0|2,0,0]=3 966 B13R1.158 C=C(C)CCOc1ccccc1Cl 7a_100000210172_100000730704 [0,1,0,0,0,0|2,0,0]=3 967 B13R1.158 C=C(C)CCOc1ccccc1F 34a_100000210171_100000730704 [0,1,0,0,0,0|2,0,0]=3 968 B13R1.158 C=C(C)CCOc1ccccc1F 7a_100000210171_100000730704 [0,1,0,0,0,0|2,0,0]=3 969 B13R1.158 C=C(C)CCOc1ccccc1I 34a_100000739446_100000730704 [0,1,0,0,0,0|2,0,0]=3 970 B13R1.158 C=C(C)CCOc1ccccc1I 7a_100000739446_100000730704 [0,1,0,0,0,0|2,0,0]=3 971 B13R1.158 C=C(C)CCOc1ccccc1N 34a_100000185747_100000730704 [0,1,0,0,0,0|2,0,0]=3 972 B13R1.158 C=C(C)CCOc1ccccc1N 7a_100000185747_100000730704 [0,1,0,0,0,0|2,0,0]=3 973 B13R1.158 C=C(C)CCOc1cccnc1Br 34a_100000744436_100000730704 [0,1,0,0,0,0|3,0,0]=4 974 B13R1.158 C=C(C)CCOc1cccnc1Br 7a_100000744436_100000730704 [0,1,0,0,0,0|3,0,0]=4 975 B13R1.158 C=C(C)CCOc1cccnc1C 34a_100000745507_100000730704 [0,1,0,0,0,0|3,0,0]=4 976 B13R1.158 C=C(C)CCOc1cccnc1C 7a_100000745507_100000730704 [0,1,0,0,0,0|3,0,0]=4 977 B13R1.158 C=C(C)CCOc1cccnc1Cl 34a_100000757616_100000730704 [0,1,0,0,0,0|3,0,0]=4 978 B13R1.158 C=C(C)CCOc1cccnc1Cl 7a_100000757616_100000730704 [0,1,0,0,0,0|3,0,0]=4 979 B13R1.158 C=C(C)CCOc1cccnc1F 34a_100000061740_100000730704 [0,1,0,0,0,0|3,0,0]=4 980 B13R1.158 C=C(C)CCOc1cccnc1F 7a_100000061740_100000730704 [0,1,0,0,0,0|3,0,0]=4 981 B13R1.158 C=C(C)CCOc1cccnc1I 34a_100000034122_100000730704 [0,1,0,0,0,0|3,0,0]=4 982 B13R1.158 C=C(C)CCOc1cccnc1I 7a_100000034122_100000730704 [0,1,0,0,0,0|3,0,0]=4 983 B13R1.158 C=C(C)CCOc1cccnc1N 34a_100000211975_100000730704 [0,1,0,0,0,0|3,0,0]=4 984 B13R1.158 C=C(C)CCOc1cccnc1N 7a_100000211975_100000730704 [0,1,0,0,0,0|3,0,0]=4 985 B13R1.158 C=C(C)CCOc1cccoc1=O 34a_100000077404_100000730704 [0,1,0,0,0,0|3,0,0]=4 986 B13R1.158 C=C(C)CCOc1cccoc1=O 7a_100000077404_100000730704 [0,1,0,0,0,0|3,0,0]=4 987 B13R1.158 C=C(C)CCOc1ccncc1Br 34a_100011996408_100000730704 [0,1,0,0,0,0|3,0,0]=4 988 B13R1.158 C=C(C)CCOc1ccncc1C 34a_100000694293_100000730704 [0,1,0,0,0,0|3,0,0]=4 989 B13R1.158 C=C(C)CCOc1ccncc1Cl 34a_100011997054_100000730704 [0,1,0,0,0,0|3,0,0]=4 990 B13R1.158 C=C(C)CCOc1ccncc1F 34a_200000081243_100000730704 [0,1,0,0,0,0|3,0,0]=4 991 B13R1.158 C=C(C)CCOc1cnccc1C 34a_100011997053_100000730704 [0,1,0,0,0,0|3,0,0]=4 992 B13R1.158 C=C(C)CCOc1cnccc1C 7a_100011997053_100000730704 [0,1,0,0,0,0|3,0,0]=4 993 B13R1.158 C=C(C)CCOc1cnccc1Cl 34a_100011996695_100000730704 [0,1,0,0,0,0|3,0,0]=4 994 B13R1.158 C=C(C)CCOc1cnccc1I 34a_100000050107_100000730704 [0,1,0,0,0,0|3,0,0]=4 995 B13R1.158 C=C(C)CCOc1cnccc1N 34a_100000753702_100000730704 [0,1,0,0,0,0|3,0,0]=4 996 B13R1.158 C=C(C)CCOc1coccc1=O 34a_100000060831_100000730704 [0,1,0,0,0,0|3,0,0]=4 997 B13R1.158 C=C(C)CCOc1ncccc1Cl 34a_100011290957_100000730704 [0,1,0,0,0,0|3,0,0]=4 998 B13R1.158 C=C(C)CCOc1ncccc1F 34a_100011219419_100000730704 [0,1,0,0,0,0|3,0,0]=4 999 B13R1.158 C=C(C)CCOc1ncccc1N 34a_100000746358_100000730704 [0,1,0,0,0,0|3,0,0]=4 1000 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000695589_100000730704 [0,1,0,0,0,0|2,1,0]=4 1001 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000730704_100000695589 [0,1,0,0,0,0|2,1,0]=4 1002 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000210755_100000730704 [0,1,0,0,0,0|2,1,0]=4 1003 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000730704_100000210755 [0,1,0,0,0,0|2,1,0]=4 1004 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000730704_100000764095 [0,1,0,0,0,0|2,1,0]=4 1005 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000764095_100000730704 [0,1,0,0,0,0|2,1,0]=4 1006 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100000730704_100011215700 [0,1,0,0,0,0|2,1,0]=4 1007 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100011215700_100000730704 [0,1,0,0,0,0|2,1,0]=4 1008 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000210017_100000730704 [0,1,0,0,0,0|2,1,0]=4 1009 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000730704_100000210017 [0,1,0,0,0,0|2,1,0]=4 1010 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000730704_100000739446 [0,1,0,0,0,0|2,1,0]=4 1011 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000739446_100000730704 [0,1,0,0,0,0|2,1,0]=4 1012 B13R1.158 CC(=CCOc1ccccc1Br)C 34a_100000181306_100000761012 [0,1,0,0,0,0|2,0,1]=4 1013 B13R1.158 CC(=CCOc1ccccc1Br)C 7a_100000181306_100000761012 [0,1,0,0,0,0|2,0,1]=4 1014 B13R1.158 CC(=CCOc1ccccc1C)C 34a_100000210338_100000761012 [0,1,0,0,0,0|2,0,1]=4 1015 B13R1.158 CC(=CCOc1ccccc1C)C 7a_100000210338_100000761012 [0,1,0,0,0,0|2,0,1]=4 1016 B13R1.158 CC(=CCOc1ccccc1Cl)C 34a_100000210172_100000761012 [0,1,0,0,0,0|2,0,1]=4 1017 B13R1.158 CC(=CCOc1ccccc1Cl)C 7a_100000210172_100000761012 [0,1,0,0,0,0|2,0,1]=4 1018 B13R1.158 CC(=CCOc1ccccc1F)C 34a_100000210171_100000761012 [0,1,0,0,0,0|2,0,1]=4 1019 B13R1.158 CC(=CCOc1ccccc1F)C 7a_100000210171_100000761012 [0,1,0,0,0,0|2,0,1]=4 1020 B13R1.158 CC(=CCOc1ccccc1I)C 34a_100000739446_100000761012 [0,1,0,0,0,0|2,0,1]=4 1021 B13R1.158 CC(=CCOc1ccccc1I)C 7a_100000739446_100000761012 [0,1,0,0,0,0|2,0,1]=4 1022 B13R1.158 CC(=CCOc1ccccc1N)C 34a_100000185747_100000761012 [0,1,0,0,0,0|2,0,1]=4 1023 B13R1.158 CC(=CCOc1ccccc1N)C 7a_100000185747_100000761012 [0,1,0,0,0,0|2,0,1]=4 1024 B13R1.158 CC(=O)CC#Cc1ccccc1Br 1458a_100000070787_100010706765 [0,1,0,0,0,0|2,0,1]=4 1025 B13R1.158 CC(=O)CC#Cc1ccccc1F 1458a_100000070787_100010404167 [0,1,0,0,0,0|2,0,1]=4 1026 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,1,0,0,0,0|2,0,0]=3 1027 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,1,0,0,0,0|2,0,0]=3 1028 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,1,0,0,0,0|2,0,0]=3 1029 B13R1.158 CC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000053229 [0,1,0,0,0,0|2,0,0]=3 1030 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000070787_100000695877 [0,1,0,0,0,0|1,0,0]=2 1031 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000740817_200000210301 [0,1,0,0,0,0|1,0,0]=2 1032 B13R1.158 CC(=O)CCOc1ccccc1Br 7a_100000181306_100000053229 [0,1,0,0,0,0|1,0,0]=2 1033 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [0,1,0,0,0,0|1,0,0]=2 1034 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [0,1,0,0,0,0|1,0,0]=2 1035 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [0,1,0,0,0,0|1,0,0]=2 1036 B13R1.158 CC(=O)CCOc1ccccc1Cl 1458a_100000240438_200000210301 [0,1,0,0,0,0|1,0,0]=2 1037 B13R1.158 CC(=O)CCOc1ccccc1Cl 7a_100000210172_100000053229 [0,1,0,0,0,0|1,0,0]=2 1038 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000070787_100000183290 [0,1,0,0,0,0|1,0,0]=2 1039 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000184057_200000210301 [0,1,0,0,0,0|1,0,0]=2 1040 B13R1.158 CC(=O)CCOc1ccccc1F 7a_100000210171_100000053229 [0,1,0,0,0,0|1,0,0]=2 1041 B13R1.158 CC(=O)CCOc1ccccc1I 7a_100000739446_100000053229 [0,1,0,0,0,0|1,0,0]=2 1042 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [0,1,0,0,0,0|1,0,0]=2 1043 B13R1.158 CC(=O)CCOc1cccnc1Br 7a_100000744436_100000053229 [0,1,0,0,0,0|2,0,0]=3 1044 B13R1.158 CC(=O)CCOc1cccnc1C 7a_100000745507_100000053229 [0,1,0,0,0,0|2,0,0]=3 1045 B13R1.158 CC(=O)CCOc1cccnc1Cl 7a_100000757616_100000053229 [0,1,0,0,0,0|2,0,0]=3 1046 B13R1.158 CC(=O)CCOc1cccnc1F 7a_100000061740_100000053229 [0,1,0,0,0,0|2,0,0]=3 1047 B13R1.158 CC(=O)CCOc1cccnc1I 7a_100000034122_100000053229 [0,1,0,0,0,0|2,0,0]=3 1048 B13R1.158 CC(=O)CCOc1cccnc1N 7a_100000211975_100000053229 [0,1,0,0,0,0|2,0,0]=3 1049 B13R1.158 CC(=O)CCOc1cccoc1=O 7a_100000077404_100000053229 [0,1,0,0,0,0|2,0,0]=3 1050 B13R1.158 CC(=O)CCOc1cnccc1C 7a_100011997053_100000053229 [0,1,0,0,0,0|2,0,0]=3 1051 B13R1.158 CC(=O)CCOc1cncnc1N 7a_100000112926_100000053229 [0,1,0,0,0,0|3,0,0]=4 1052 B13R1.158 CC(=O)CCSc1c[nH]ccc1=O 62a_100000053229_100009998708 [0,1,0,0,0,0|2,1,0]=4 1053 B13R1.158 CC(=O)CCSc1c[nH]ccc1=O 62a_100009998708_100000053229 [0,1,0,0,0,0|2,1,0]=4 1054 B13R1.158 CC(=O)CCSc1c[nH]ccc1=S 62a_100000053229_200012280681 [0,1,0,0,0,0|2,1,0]=4 1055 B13R1.158 CC(=O)CCSc1c[nH]ccc1=S 62a_200012280681_100000053229 [0,1,0,0,0,0|2,1,0]=4 1056 B13R1.158 CC(=O)CCSc1cccc[n+]1C 62a_100000053229_100000212160 [0,1,0,0,0,0|2,1,0]=4 1057 B13R1.158 CC(=O)CCSc1cccc[n+]1[O-] 62a_100000053229_200000042595 [0,1,0,0,0,0|2,1,0]=4 1058 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000053229_100000695589 [0,1,0,0,0,0|1,1,0]=3 1059 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000695589_100000053229 [0,1,0,0,0,0|1,1,0]=3 1060 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000053229_100000210755 [0,1,0,0,0,0|1,1,0]=3 1061 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000210755_100000053229 [0,1,0,0,0,0|1,1,0]=3 1062 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000053229_100000764095 [0,1,0,0,0,0|1,1,0]=3 1063 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000764095_100000053229 [0,1,0,0,0,0|1,1,0]=3 1064 B13R1.158 CC(=O)CCSc1ccccc1F 1458a_100000208832_200000210301 [0,1,0,0,0,0|1,1,0]=3 1065 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100000053229_100011215700 [0,1,0,0,0,0|1,1,0]=3 1066 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100011215700_100000053229 [0,1,0,0,0,0|1,1,0]=3 1067 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000053229_100000210017 [0,1,0,0,0,0|1,1,0]=3 1068 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000210017_100000053229 [0,1,0,0,0,0|1,1,0]=3 1069 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000053229_100000739446 [0,1,0,0,0,0|1,1,0]=3 1070 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000739446_100000053229 [0,1,0,0,0,0|1,1,0]=3 1071 B13R1.158 CC(=O)CCSc1cccnc1Br 62a_100000053229_100010202626 [0,1,0,0,0,0|2,1,0]=4 1072 B13R1.158 CC(=O)CCSc1cccnc1Br 62a_100010202626_100000053229 [0,1,0,0,0,0|2,1,0]=4 1073 B13R1.158 CC(=O)CCSc1cccnc1C 62a_100000053229_100000751574 [0,1,0,0,0,0|2,1,0]=4 1074 B13R1.158 CC(=O)CCSc1cccnc1C 62a_100000751574_100000053229 [0,1,0,0,0,0|2,1,0]=4 1075 B13R1.158 CC(=O)CCSc1cccnc1Cl 62a_100000036424_100000053229 [0,1,0,0,0,0|2,1,0]=4 1076 B13R1.158 CC(=O)CCSc1cccnc1Cl 62a_100000053229_100000036424 [0,1,0,0,0,0|2,1,0]=4 1077 B13R1.158 CC(=O)CCSc1cccnc1F 62a_100000053229_100009816115 [0,1,0,0,0,0|2,1,0]=4 1078 B13R1.158 CC(=O)CCSc1cccnc1F 62a_100009816115_100000053229 [0,1,0,0,0,0|2,1,0]=4 1079 B13R1.158 CC(=O)CCSc1cccnc1N 62a_100000045569_100000053229 [0,1,0,0,0,0|2,1,0]=4 1080 B13R1.158 CC(=O)CCSc1cccnc1N 62a_100000053229_100000045569 [0,1,0,0,0,0|2,1,0]=4 1081 B13R1.158 CC(=O)CCSc1cccnc1O 62a_100000053229_100000760158 [0,1,0,0,0,0|2,1,0]=4 1082 B13R1.158 CC(=O)CCSc1cccnc1O 62a_100000760158_100000053229 [0,1,0,0,0,0|2,1,0]=4 1083 B13R1.158 CC(=O)CCSc1ccncc1Br 62a_100000053229_100000726257 [0,1,0,0,0,0|2,1,0]=4 1084 B13R1.158 CC(=O)CCSc1ccncc1Br 62a_100000726257_100000053229 [0,1,0,0,0,0|2,1,0]=4 1085 B13R1.158 CC(=O)CCSc1ccncc1C 62a_100000053229_100000765111 [0,1,0,0,0,0|2,1,0]=4 1086 B13R1.158 CC(=O)CCSc1ccncc1C 62a_100000765111_100000053229 [0,1,0,0,0,0|2,1,0]=4 1087 B13R1.158 CC(=O)CCSc1ccncc1Cl 62a_100000053229_100000708259 [0,1,0,0,0,0|2,1,0]=4 1088 B13R1.158 CC(=O)CCSc1ccncc1Cl 62a_100000708259_100000053229 [0,1,0,0,0,0|2,1,0]=4 1089 B13R1.158 CC(=O)CCSc1ccncc1F 62a_100000047030_100000053229 [0,1,0,0,0,0|2,1,0]=4 1090 B13R1.158 CC(=O)CCSc1ccncc1F 62a_100000053229_100000047030 [0,1,0,0,0,0|2,1,0]=4 1091 B13R1.158 CC(=O)CCSc1ccncc1N 62a_100000053229_100000756074 [0,1,0,0,0,0|2,1,0]=4 1092 B13R1.158 CC(=O)CCSc1ccncc1N 62a_100000756074_100000053229 [0,1,0,0,0,0|2,1,0]=4 1093 B13R1.158 CC(=O)CCSc1ccncc1O 62a_100000053229_100009817591 [0,1,0,0,0,0|2,1,0]=4 1094 B13R1.158 CC(=O)CCSc1ccncc1O 62a_100009817591_100000053229 [0,1,0,0,0,0|2,1,0]=4 1095 B13R1.158 CC(=O)CCSc1cnccc1Br 62a_100000053229_100010138639 [0,1,0,0,0,0|2,1,0]=4 1096 B13R1.158 CC(=O)CCSc1cnccc1Br 62a_100010138639_100000053229 [0,1,0,0,0,0|2,1,0]=4 1097 B13R1.158 CC(=O)CCSc1cnccc1C 62a_100000053229_100000761580 [0,1,0,0,0,0|2,1,0]=4 1098 B13R1.158 CC(=O)CCSc1cnccc1C 62a_100000761580_100000053229 [0,1,0,0,0,0|2,1,0]=4 1099 B13R1.158 CC(=O)CCSc1cnccc1Cl 62a_100000053229_100009995489 [0,1,0,0,0,0|2,1,0]=4 1100 B13R1.158 CC(=O)CCSc1cnccc1Cl 62a_100009995489_100000053229 [0,1,0,0,0,0|2,1,0]=4 1101 B13R1.158 CC(=O)CCSc1cnccc1F 62a_100000053229_100009820683 [0,1,0,0,0,0|2,1,0]=4 1102 B13R1.158 CC(=O)CCSc1cnccc1F 62a_100009820683_100000053229 [0,1,0,0,0,0|2,1,0]=4 1103 B13R1.158 CC(=O)CCSc1cnccc1N 62a_100000047001_100000053229 [0,1,0,0,0,0|2,1,0]=4 1104 B13R1.158 CC(=O)CCSc1cnccc1N 62a_100000053229_100000047001 [0,1,0,0,0,0|2,1,0]=4 1105 B13R1.158 CC(=O)CCSc1ncccc1Br 62a_100000053229_100000696092 [0,1,0,0,0,0|2,1,0]=4 1106 B13R1.158 CC(=O)CCSc1ncccc1Br 62a_100000696092_100000053229 [0,1,0,0,0,0|2,1,0]=4 1107 B13R1.158 CC(=O)CCSc1ncccc1C 62a_100000053229_100000751373 [0,1,0,0,0,0|2,1,0]=4 1108 B13R1.158 CC(=O)CCSc1ncccc1C 62a_100000751373_100000053229 [0,1,0,0,0,0|2,1,0]=4 1109 B13R1.158 CC(=O)CCSc1ncccc1Cl 62a_100000053229_100011356963 [0,1,0,0,0,0|2,1,0]=4 1110 B13R1.158 CC(=O)CCSc1ncccc1Cl 62a_100011356963_100000053229 [0,1,0,0,0,0|2,1,0]=4 1111 B13R1.158 CC(=O)CCSc1ncccc1F 62a_100000053229_100000685392 [0,1,0,0,0,0|2,1,0]=4 1112 B13R1.158 CC(=O)CCSc1ncccc1F 62a_100000685392_100000053229 [0,1,0,0,0,0|2,1,0]=4 1113 B13R1.158 CC(=O)CCSc1ncccc1N 62a_100000053229_100000688686 [0,1,0,0,0,0|2,1,0]=4 1114 B13R1.158 CC(=O)CCSc1ncccc1N 62a_100000688686_100000053229 [0,1,0,0,0,0|2,1,0]=4 1115 B13R1.158 CC(=O)CCSc1ncccc1O 62a_100000034122_100000053229 [0,1,0,0,0,0|2,1,0]=4 1116 B13R1.158 CC(=O)CCSc1ncccc1O 62a_100000053229_100000034122 [0,1,0,0,0,0|2,1,0]=4 1117 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,1,0,0,0,0|3,0,0]=4 1118 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,1,0,0,0,0|3,0,0]=4 1119 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,1,0,0,0,0|3,0,0]=4 1120 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,1,0,0,0,0|3,0,0]=4 1121 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,1,0,0,0,0|3,0,0]=4 1122 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [0,1,0,0,0,0|3,0,0]=4 1123 B13R1.158 CC(=O)CSCc1ccccc1Cl 1458a_100000150270_200000210301 [0,1,0,0,0,0|3,0,0]=4 1124 B13R1.158 CC(=O)CSCc1ccccc1F 1458a_100000150260_200000210301 [0,1,0,0,0,0|3,0,0]=4 1125 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [0,1,0,0,0,0|3,0,0]=4 1126 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [0,1,0,0,0,0|3,0,0]=4 1127 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [0,1,0,0,0,0|3,0,0]=4 1128 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [0,1,0,0,0,0|3,0,0]=4 1129 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,1,0,0,0,0|3,0,0]=4 1130 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,1,0,0,0,0|3,0,0]=4 1131 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,1,0,0,0,0|3,0,0]=4 1132 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,1,0,0,0,0|3,0,0]=4 1133 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [0,1,0,0,0,0|3,0,0]=4 1134 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [0,1,0,0,0,0|3,0,0]=4 1135 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [0,1,0,0,0,0|3,0,0]=4 1136 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [0,1,0,0,0,0|3,0,0]=4 1137 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [0,1,0,0,0,0|3,0,0]=4 1138 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [0,1,0,0,0,0|3,0,0]=4 1139 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [0,1,0,0,0,0|3,0,0]=4 1140 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [0,1,0,0,0,0|3,0,0]=4 1141 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,1,0,0,0,0|3,0,0]=4 1142 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,1,0,0,0,0|3,0,0]=4 1143 B13R1.158 CC(=O)OCNc1ccccc1Br 34a_100000210017_100009813279 [0,1,0,0,0,0|3,0,0]=4 1144 B13R1.158 CC(=O)OCNc1ccccc1C 34a_100015192222_100009813279 [0,1,0,0,0,0|3,0,0]=4 1145 B13R1.158 CC(=O)OCNc1ccccc1Cl 34a_100000185783_100009813279 [0,1,0,0,0,0|3,0,0]=4 1146 B13R1.158 CC(=O)OCNc1ccccc1F 34a_100000210422_100009813279 [0,1,0,0,0,0|3,0,0]=4 1147 B13R1.158 CC(=O)OCNc1ccccc1I 34a_100000210053_100009813279 [0,1,0,0,0,0|3,0,0]=4 1148 B13R1.158 CC(=O)OCNc1ccccc1O 34a_100000185747_100009813279 [0,1,0,0,0,0|3,0,0]=4 1149 B13R1.158 CC(=O)OCOc1ccccc1Br 34a_100000181306_100009813279 [0,1,0,0,0,0|2,0,0]=3 1150 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [0,1,0,0,0,0|2,0,0]=3 1151 B13R1.158 CC(=O)OCOc1ccccc1Cl 34a_100000210172_100009813279 [0,1,0,0,0,0|2,0,0]=3 1152 B13R1.158 CC(=O)OCOc1ccccc1F 34a_100000210171_100009813279 [0,1,0,0,0,0|2,0,0]=3 1153 B13R1.158 CC(=O)OCOc1ccccc1I 34a_100000739446_100009813279 [0,1,0,0,0,0|2,0,0]=3 1154 B13R1.158 CC(=O)OCOc1ccccc1N 34a_100000185747_100009813279 [0,1,0,0,0,0|2,0,0]=3 1155 B13R1.158 CC(=O)OCOc1cccnc1Br 34a_100000744436_100009813279 [0,1,0,0,0,0|3,0,0]=4 1156 B13R1.158 CC(=O)OCOc1cccnc1C 34a_100000745507_100009813279 [0,1,0,0,0,0|3,0,0]=4 1157 B13R1.158 CC(=O)OCOc1cccnc1Cl 34a_100000757616_100009813279 [0,1,0,0,0,0|3,0,0]=4 1158 B13R1.158 CC(=O)OCOc1cccnc1F 34a_100000061740_100009813279 [0,1,0,0,0,0|3,0,0]=4 1159 B13R1.158 CC(=O)OCOc1cccnc1I 34a_100000034122_100009813279 [0,1,0,0,0,0|3,0,0]=4 1160 B13R1.158 CC(=O)OCOc1cccnc1N 34a_100000211975_100009813279 [0,1,0,0,0,0|3,0,0]=4 1161 B13R1.158 CC(=O)OCOc1cccoc1=O 34a_100000077404_100009813279 [0,1,0,0,0,0|3,0,0]=4 1162 B13R1.158 CC(=O)OCOc1ccncc1Br 34a_100011996408_100009813279 [0,1,0,0,0,0|3,0,0]=4 1163 B13R1.158 CC(=O)OCOc1ccncc1C 34a_100000694293_100009813279 [0,1,0,0,0,0|3,0,0]=4 1164 B13R1.158 CC(=O)OCOc1ccncc1Cl 34a_100011997054_100009813279 [0,1,0,0,0,0|3,0,0]=4 1165 B13R1.158 CC(=O)OCOc1ccncc1F 34a_200000081243_100009813279 [0,1,0,0,0,0|3,0,0]=4 1166 B13R1.158 CC(=O)OCOc1cnccc1C 34a_100011997053_100009813279 [0,1,0,0,0,0|3,0,0]=4 1167 B13R1.158 CC(=O)OCOc1cnccc1Cl 34a_100011996695_100009813279 [0,1,0,0,0,0|3,0,0]=4 1168 B13R1.158 CC(=O)OCOc1cnccc1I 34a_100000050107_100009813279 [0,1,0,0,0,0|3,0,0]=4 1169 B13R1.158 CC(=O)OCOc1cnccc1N 34a_100000753702_100009813279 [0,1,0,0,0,0|3,0,0]=4 1170 B13R1.158 CC(=O)OCOc1coccc1=O 34a_100000060831_100009813279 [0,1,0,0,0,0|3,0,0]=4 1171 B13R1.158 CC(=O)OCOc1ncccc1Cl 34a_100011290957_100009813279 [0,1,0,0,0,0|3,0,0]=4 1172 B13R1.158 CC(=O)OCOc1ncccc1F 34a_100011219419_100009813279 [0,1,0,0,0,0|3,0,0]=4 1173 B13R1.158 CC(=O)OCOc1ncccc1N 34a_100000746358_100009813279 [0,1,0,0,0,0|3,0,0]=4 1174 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000076356_100000695589 [0,1,0,0,0,0|2,1,0]=4 1175 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000695589_100000076356 [0,1,0,0,0,0|2,1,0]=4 1176 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000076356_100000210755 [0,1,0,0,0,0|2,1,0]=4 1177 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000210755_100000076356 [0,1,0,0,0,0|2,1,0]=4 1178 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000076356_100000764095 [0,1,0,0,0,0|2,1,0]=4 1179 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000764095_100000076356 [0,1,0,0,0,0|2,1,0]=4 1180 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100000076356_100011215700 [0,1,0,0,0,0|2,1,0]=4 1181 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100011215700_100000076356 [0,1,0,0,0,0|2,1,0]=4 1182 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000076356_100000210017 [0,1,0,0,0,0|2,1,0]=4 1183 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000210017_100000076356 [0,1,0,0,0,0|2,1,0]=4 1184 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000076356_100000739446 [0,1,0,0,0,0|2,1,0]=4 1185 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000739446_100000076356 [0,1,0,0,0,0|2,1,0]=4 1186 B13R1.158 CC(C)CCOc1ccccc1Br 34a_100000181306_100000210312 [0,1,0,0,0,0|2,0,1]=4 1187 B13R1.158 CC(C)CCOc1ccccc1Br 7a_100000181306_100000210626 [0,1,0,0,0,0|2,0,1]=4 1188 B13R1.158 CC(C)CCOc1ccccc1Cl 34a_100000210172_100000210312 [0,1,0,0,0,0|2,0,1]=4 1189 B13R1.158 CC(C)CCOc1ccccc1Cl 7a_100000210172_100000210626 [0,1,0,0,0,0|2,0,1]=4 1190 B13R1.158 CC(C)CCOc1ccccc1F 34a_100000210171_100000210312 [0,1,0,0,0,0|2,0,1]=4 1191 B13R1.158 CC(C)CCOc1ccccc1F 7a_100000210171_100000210626 [0,1,0,0,0,0|2,0,1]=4 1192 B13R1.158 CC(C)CCOc1ccccc1I 34a_100000739446_100000210312 [0,1,0,0,0,0|2,0,1]=4 1193 B13R1.158 CC(C)CCOc1ccccc1I 7a_100000739446_100000210626 [0,1,0,0,0,0|2,0,1]=4 1194 B13R1.158 CC(C)CCOc1ccccc1N 34a_100000185747_100000210312 [0,1,0,0,0,0|2,0,1]=4 1195 B13R1.158 CC(C)CCOc1ccccc1N 7a_100000185747_100000210626 [0,1,0,0,0,0|2,0,1]=4 1196 B13R1.158 CC(O)CCNc1ccccc1Br 34a_100000210017_100012276601 [0,1,0,0,0,0|2,0,1]=4 1197 B13R1.158 CC(O)CCNc1ccccc1Cl 34a_100000185783_100012276601 [0,1,0,0,0,0|2,0,1]=4 1198 B13R1.158 CC(O)CCNc1ccccc1F 34a_100000210422_100012276601 [0,1,0,0,0,0|2,0,1]=4 1199 B13R1.158 CC(O)CCNc1ccccc1I 34a_100000210053_100012276601 [0,1,0,0,0,0|2,0,1]=4 1200 B13R1.158 CC(O)CCNc1ccccc1O 34a_100000185747_100012276601 [0,1,0,0,0,0|2,0,1]=4 1201 B13R1.158 CC(O)CCOc1cccc[n+]1[O-] 7a_100000211761_100012276601 [0,1,0,0,0,0|2,0,1]=4 1202 B13R1.158 CC(O)CCOc1ccccc1Br 34a_100000181306_100012276601 [0,1,0,0,0,0|1,0,1]=3 1203 B13R1.158 CC(O)CCOc1ccccc1Br 7a_100000181306_100012276601 [0,1,0,0,0,0|1,0,1]=3 1204 B13R1.158 CC(O)CCOc1ccccc1Cl 34a_100000210172_100012276601 [0,1,0,0,0,0|1,0,1]=3 1205 B13R1.158 CC(O)CCOc1ccccc1Cl 7a_100000210172_100012276601 [0,1,0,0,0,0|1,0,1]=3 1206 B13R1.158 CC(O)CCOc1ccccc1F 34a_100000210171_100012276601 [0,1,0,0,0,0|1,0,1]=3 1207 B13R1.158 CC(O)CCOc1ccccc1F 7a_100000210171_100012276601 [0,1,0,0,0,0|1,0,1]=3 1208 B13R1.158 CC(O)CCOc1ccccc1I 34a_100000739446_100012276601 [0,1,0,0,0,0|1,0,1]=3 1209 B13R1.158 CC(O)CCOc1ccccc1I 7a_100000739446_100012276601 [0,1,0,0,0,0|1,0,1]=3 1210 B13R1.158 CC(O)CCOc1ccccc1N 34a_100000185747_100012276601 [0,1,0,0,0,0|1,0,1]=3 1211 B13R1.158 CC(O)CCOc1ccccc1N 7a_100000185747_100012276601 [0,1,0,0,0,0|1,0,1]=3 1212 B13R1.158 CC(O)CCOc1cccnc1Br 34a_100000744436_100012276601 [0,1,0,0,0,0|2,0,1]=4 1213 B13R1.158 CC(O)CCOc1cccnc1Br 7a_100000744436_100012276601 [0,1,0,0,0,0|2,0,1]=4 1214 B13R1.158 CC(O)CCOc1cccnc1Cl 34a_100000757616_100012276601 [0,1,0,0,0,0|2,0,1]=4 1215 B13R1.158 CC(O)CCOc1cccnc1Cl 7a_100000757616_100012276601 [0,1,0,0,0,0|2,0,1]=4 1216 B13R1.158 CC(O)CCOc1cccnc1F 34a_100000061740_100012276601 [0,1,0,0,0,0|2,0,1]=4 1217 B13R1.158 CC(O)CCOc1cccnc1F 7a_100000061740_100012276601 [0,1,0,0,0,0|2,0,1]=4 1218 B13R1.158 CC(O)CCOc1cccnc1I 34a_100000034122_100012276601 [0,1,0,0,0,0|2,0,1]=4 1219 B13R1.158 CC(O)CCOc1cccnc1I 7a_100000034122_100012276601 [0,1,0,0,0,0|2,0,1]=4 1220 B13R1.158 CC(O)CCOc1cccnc1N 34a_100000211975_100012276601 [0,1,0,0,0,0|2,0,1]=4 1221 B13R1.158 CC(O)CCOc1cccnc1N 7a_100000211975_100012276601 [0,1,0,0,0,0|2,0,1]=4 1222 B13R1.158 CC(O)CCOc1cccoc1=O 34a_100000077404_100012276601 [0,1,0,0,0,0|2,0,1]=4 1223 B13R1.158 CC(O)CCOc1cccoc1=O 7a_100000077404_100012276601 [0,1,0,0,0,0|2,0,1]=4 1224 B13R1.158 CC(O)CCOc1ccncc1Br 34a_100011996408_100012276601 [0,1,0,0,0,0|2,0,1]=4 1225 B13R1.158 CC(O)CCOc1ccncc1Cl 34a_100011997054_100012276601 [0,1,0,0,0,0|2,0,1]=4 1226 B13R1.158 CC(O)CCOc1ccncc1F 34a_200000081243_100012276601 [0,1,0,0,0,0|2,0,1]=4 1227 B13R1.158 CC(O)CCOc1cnccc1Cl 34a_100011996695_100012276601 [0,1,0,0,0,0|2,0,1]=4 1228 B13R1.158 CC(O)CCOc1cnccc1I 34a_100000050107_100012276601 [0,1,0,0,0,0|2,0,1]=4 1229 B13R1.158 CC(O)CCOc1cnccc1N 34a_100000753702_100012276601 [0,1,0,0,0,0|2,0,1]=4 1230 B13R1.158 CC(O)CCOc1coccc1=O 34a_100000060831_100012276601 [0,1,0,0,0,0|2,0,1]=4 1231 B13R1.158 CC(O)CCOc1ncccc1Cl 34a_100011290957_100012276601 [0,1,0,0,0,0|2,0,1]=4 1232 B13R1.158 CC(O)CCOc1ncccc1F 34a_100011219419_100012276601 [0,1,0,0,0,0|2,0,1]=4 1233 B13R1.158 CC(O)CCOc1ncccc1N 34a_100000746358_100012276601 [0,1,0,0,0,0|2,0,1]=4 1234 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100000695589_100012276601 [0,1,0,0,0,0|1,1,1]=4 1235 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100012276601_100000695589 [0,1,0,0,0,0|1,1,1]=4 1236 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100000764095_100012276601 [0,1,0,0,0,0|1,1,1]=4 1237 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100012276601_100000764095 [0,1,0,0,0,0|1,1,1]=4 1238 B13R1.158 CC(O)CCSc1ccccc1F 62a_100011215700_100012276601 [0,1,0,0,0,0|1,1,1]=4 1239 B13R1.158 CC(O)CCSc1ccccc1F 62a_100012276601_100011215700 [0,1,0,0,0,0|1,1,1]=4 1240 B13R1.158 CC(O)CCSc1ccccc1N 62a_100000210017_100012276601 [0,1,0,0,0,0|1,1,1]=4 1241 B13R1.158 CC(O)CCSc1ccccc1N 62a_100012276601_100000210017 [0,1,0,0,0,0|1,1,1]=4 1242 B13R1.158 CC(O)CCSc1ccccc1O 62a_100000739446_100012276601 [0,1,0,0,0,0|1,1,1]=4 1243 B13R1.158 CC(O)CCSc1ccccc1O 62a_100012276601_100000739446 [0,1,0,0,0,0|1,1,1]=4 1244 B13R1.158 CN(C)CCOc1ccccc1Br 2230a_100102631434_100000695877 [0,1,0,0,0,0|3,0,0]=4 1245 B13R1.158 CN(C)CCOc1ccccc1Br 269982a_100102631434_100000695877 [0,1,0,0,0,0|3,0,0]=4 1246 B13R1.158 CN(C)CCOc1ccccc1Br 7a_100000181306_100000755713 [0,1,0,0,0,0|3,0,0]=4 1247 B13R1.158 CN(C)CCOc1ccccc1Cl 7a_100000210172_100000755713 [0,1,0,0,0,0|3,0,0]=4 1248 B13R1.158 CN(C)CCOc1ccccc1F 2230a_100102631434_100000183290 [0,1,0,0,0,0|3,0,0]=4 1249 B13R1.158 CN(C)CCOc1ccccc1F 269982a_100102631434_100000183290 [0,1,0,0,0,0|3,0,0]=4 1250 B13R1.158 CN(C)CCOc1ccccc1F 7a_100000210171_100000755713 [0,1,0,0,0,0|3,0,0]=4 1251 B13R1.158 CN(C)CCOc1ccccc1I 7a_100000739446_100000755713 [0,1,0,0,0,0|3,0,0]=4 1252 B13R1.158 CN(C)CCOc1ccccc1N 7a_100000185747_100000755713 [0,1,0,0,0,0|3,0,0]=4 1253 B13R1.158 CN(C)CCOc1ccccc1O 271570a_203496583355_100102946404 [0,1,0,0,0,0|3,0,0]=4 1254 B13R1.158 C[n+]1ccccc1SCCC(=O)N 62a_100000744528_100000212160 [0,1,0,0,0,0|2,1,0]=4 1255 B13R1.158 Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000211839 [0,1,0,0,0,0|3,0,0]=4 1256 B13R1.158 Cc1ccccc1CNCC(=O)N 34a_100000174972_100000187820 [0,1,0,0,0,0|3,0,0]=4 1257 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,1,0,0,0,0|2,0,0]=3 1258 B13R1.158 Cc1ccccc1CNCC(=O)[O-] 34a_100000174972_100020667443 [0,1,0,0,0,0|2,0,1]=4 1259 B13R1.158 Cc1ccccc1COCC(=O)N 34a_100000698903_100000187820 [0,1,0,0,0,0|3,0,0]=4 1260 B13R1.158 Cc1ccccc1COCC(=O)N 7a_100000698903_100000187820 [0,1,0,0,0,0|3,0,0]=4 1261 B13R1.158 Cc1ccccc1COCC(=O)[O-] 34a_100000698903_100020667443 [0,1,0,0,0,0|2,0,1]=4 1262 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000211839_100000747473 [0,1,0,0,0,0|3,0,0]=4 1263 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000747473_100000211839 [0,1,0,0,0,0|3,0,0]=4 1264 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [0,1,0,0,0,0|3,0,0]=4 1265 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100000211839_100020667443 [0,1,0,0,0,0|2,0,1]=4 1266 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000211839 [0,1,0,0,0,0|2,0,1]=4 1267 B13R1.158 Cc1ccccc1NCCC(=O)N 34a_100015192222_100000731001 [0,1,0,0,0,0|2,0,0]=3 1268 B13R1.158 Cc1ccccc1NCCC(C)O 34a_100015192222_100012276601 [0,1,0,0,0,0|2,0,1]=4 1269 B13R1.158 Cc1ccccc1OCCC(=O)N 34a_100000210338_100000731001 [0,1,0,0,0,0|1,0,0]=2 1270 B13R1.158 Cc1ccccc1OCCC(=O)N 7a_100000210338_100000744528 [0,1,0,0,0,0|1,0,0]=2 1271 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [0,1,0,0,0,0|1,0,0]=2 1272 B13R1.158 Cc1ccccc1OCCC(C)C 34a_100000210338_100000210312 [0,1,0,0,0,0|2,0,1]=4 1273 B13R1.158 Cc1ccccc1OCCC(C)C 7a_100000210338_100000210626 [0,1,0,0,0,0|2,0,1]=4 1274 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [0,1,0,0,0,0|1,0,1]=3 1275 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [0,1,0,0,0,0|1,0,1]=3 1276 B13R1.158 Cc1ccccc1OCCN(C)C 2230a_100102631434_100000184434 [0,1,0,0,0,0|3,0,0]=4 1277 B13R1.158 Cc1ccccc1OCCN(C)C 269982a_100102631434_100000184434 [0,1,0,0,0,0|3,0,0]=4 1278 B13R1.158 Cc1ccccc1OCCN(C)C 7a_100000210338_100000755713 [0,1,0,0,0,0|3,0,0]=4 1279 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000210755_100000744528 [0,1,0,0,0,0|1,1,0]=3 1280 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000744528_100000210755 [0,1,0,0,0,0|1,1,0]=3 1281 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100000210755_100012276601 [0,1,0,0,0,0|1,1,1]=4 1282 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100012276601_100000210755 [0,1,0,0,0,0|1,1,1]=4 1283 B13R1.158 Cc1cccnc1CNCC(=O)O 269956a_100016091260_100000696600 [0,1,0,0,0,0|3,0,0]=4 1284 B13R1.158 Cc1cccnc1SCCC(=O)N 62a_100000744528_100000751373 [0,1,0,0,0,0|2,1,0]=4 1285 B13R1.158 Cc1cccnc1SCCC(=O)N 62a_100000751373_100000744528 [0,1,0,0,0,0|2,1,0]=4 1286 B13R1.158 Cc1ccncc1CNCC(=O)O 269956a_100016091260_100000690890 [0,1,0,0,0,0|3,0,0]=4 1287 B13R1.158 Cc1ccncc1OCCC(=O)N 34a_100011997053_100000731001 [0,1,0,0,0,0|2,0,0]=3 1288 B13R1.158 Cc1ccncc1OCCC(=O)N 7a_100011997053_100000744528 [0,1,0,0,0,0|2,0,0]=3 1289 B13R1.158 Cc1ccncc1OCCC(C)O 34a_100011997053_100012276601 [0,1,0,0,0,0|2,0,1]=4 1290 B13R1.158 Cc1ccncc1OCCC(C)O 7a_100011997053_100012276601 [0,1,0,0,0,0|2,0,1]=4 1291 B13R1.158 Cc1ccncc1SCCC(=O)N 62a_100000744528_100000761580 [0,1,0,0,0,0|2,1,0]=4 1292 B13R1.158 Cc1ccncc1SCCC(=O)N 62a_100000761580_100000744528 [0,1,0,0,0,0|2,1,0]=4 1293 B13R1.158 Cc1cnccc1CNCC(=O)O 269956a_100016091260_100020672808 [0,1,0,0,0,0|3,0,0]=4 1294 B13R1.158 Cc1cnccc1NCCC(=O)N 27a_100000740010_100000765111 [0,1,0,0,0,0|3,0,0]=4 1295 B13R1.158 Cc1cnccc1OCCC(=O)N 34a_100000694293_100000731001 [0,1,0,0,0,0|2,0,0]=3 1296 B13R1.158 Cc1cnccc1OCCC(C)O 34a_100000694293_100012276601 [0,1,0,0,0,0|2,0,1]=4 1297 B13R1.158 Cc1cnccc1SCCC(=O)N 62a_100000744528_100000765111 [0,1,0,0,0,0|2,1,0]=4 1298 B13R1.158 Cc1cnccc1SCCC(=O)N 62a_100000765111_100000744528 [0,1,0,0,0,0|2,1,0]=4 1299 B13R1.158 Cc1ncccc1CNCC(=O)O 269956a_100016091260_100000732876 [0,1,0,0,0,0|3,0,0]=4 1300 B13R1.158 Cc1ncccc1OCCC(=O)N 34a_100000745507_100000731001 [0,1,0,0,0,0|2,0,0]=3 1301 B13R1.158 Cc1ncccc1OCCC(=O)N 7a_100000745507_100000744528 [0,1,0,0,0,0|2,0,0]=3 1302 B13R1.158 Cc1ncccc1OCCC(C)O 34a_100000745507_100012276601 [0,1,0,0,0,0|2,0,1]=4 1303 B13R1.158 Cc1ncccc1OCCC(C)O 7a_100000745507_100012276601 [0,1,0,0,0,0|2,0,1]=4 1304 B13R1.158 Cc1ncccc1SCCC(=O)N 62a_100000744528_100000751574 [0,1,0,0,0,0|2,1,0]=4 1305 B13R1.158 Cc1ncccc1SCCC(=O)N 62a_100000751574_100000744528 [0,1,0,0,0,0|2,1,0]=4 1306 B13R1.158 Cc1nccnc1OCCC(=O)N 34a_100000766352_100000731001 [0,1,0,0,0,0|3,0,0]=4 1307 B13R1.158 NC(=O)CCNc1ccccc1Br 34a_100000210017_100000731001 [0,1,0,0,0,0|2,0,0]=3 1308 B13R1.158 NC(=O)CCNc1ccccc1Cl 34a_100000185783_100000731001 [0,1,0,0,0,0|2,0,0]=3 1309 B13R1.158 NC(=O)CCNc1ccccc1F 34a_100000210422_100000731001 [0,1,0,0,0,0|2,0,0]=3 1310 B13R1.158 NC(=O)CCNc1ccccc1I 34a_100000210053_100000731001 [0,1,0,0,0,0|2,0,0]=3 1311 B13R1.158 NC(=O)CCNc1ccccc1O 34a_100000185747_100000731001 [0,1,0,0,0,0|2,0,0]=3 1312 B13R1.158 NC(=O)CCNc1ccncc1Br 27a_100000740010_100000726257 [0,1,0,0,0,0|3,0,0]=4 1313 B13R1.158 NC(=O)CCNc1ccncc1F 27a_100000740010_100000035921 [0,1,0,0,0,0|3,0,0]=4 1314 B13R1.158 NC(=O)CCNc1ncccc1Br 27a_100000740010_100000696092 [0,1,0,0,0,0|3,0,0]=4 1315 B13R1.158 NC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000744528 [0,1,0,0,0,0|2,0,0]=3 1316 B13R1.158 NC(=O)CCOc1ccccc1Br 34a_100000181306_100000731001 [0,1,0,0,0,0|1,0,0]=2 1317 B13R1.158 NC(=O)CCOc1ccccc1Br 7a_100000181306_100000744528 [0,1,0,0,0,0|1,0,0]=2 1318 B13R1.158 NC(=O)CCOc1ccccc1Cl 34a_100000210172_100000731001 [0,1,0,0,0,0|1,0,0]=2 1319 B13R1.158 NC(=O)CCOc1ccccc1Cl 7a_100000210172_100000744528 [0,1,0,0,0,0|1,0,0]=2 1320 B13R1.158 NC(=O)CCOc1ccccc1F 34a_100000210171_100000731001 [0,1,0,0,0,0|1,0,0]=2 1321 B13R1.158 NC(=O)CCOc1ccccc1F 7a_100000210171_100000744528 [0,1,0,0,0,0|1,0,0]=2 1322 B13R1.158 NC(=O)CCOc1ccccc1I 34a_100000739446_100000731001 [0,1,0,0,0,0|1,0,0]=2 1323 B13R1.158 NC(=O)CCOc1ccccc1I 7a_100000739446_100000744528 [0,1,0,0,0,0|1,0,0]=2 1324 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [0,1,0,0,0,0|1,0,0]=2 1325 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [0,1,0,0,0,0|1,0,0]=2 1326 B13R1.158 NC(=O)CCOc1cccnc1Br 34a_100000744436_100000731001 [0,1,0,0,0,0|2,0,0]=3 1327 B13R1.158 NC(=O)CCOc1cccnc1Br 7a_100000744436_100000744528 [0,1,0,0,0,0|2,0,0]=3 1328 B13R1.158 NC(=O)CCOc1cccnc1Cl 34a_100000757616_100000731001 [0,1,0,0,0,0|2,0,0]=3 1329 B13R1.158 NC(=O)CCOc1cccnc1Cl 7a_100000757616_100000744528 [0,1,0,0,0,0|2,0,0]=3 1330 B13R1.158 NC(=O)CCOc1cccnc1F 34a_100000061740_100000731001 [0,1,0,0,0,0|2,0,0]=3 1331 B13R1.158 NC(=O)CCOc1cccnc1F 7a_100000061740_100000744528 [0,1,0,0,0,0|2,0,0]=3 1332 B13R1.158 NC(=O)CCOc1cccnc1I 34a_100000034122_100000731001 [0,1,0,0,0,0|2,0,0]=3 1333 B13R1.158 NC(=O)CCOc1cccnc1I 7a_100000034122_100000744528 [0,1,0,0,0,0|2,0,0]=3 1334 B13R1.158 NC(=O)CCOc1cccnc1N 34a_100000211975_100000731001 [0,1,0,0,0,0|2,0,0]=3 1335 B13R1.158 NC(=O)CCOc1cccnc1N 7a_100000211975_100000744528 [0,1,0,0,0,0|2,0,0]=3 1336 B13R1.158 NC(=O)CCOc1cccoc1=O 34a_100000077404_100000731001 [0,1,0,0,0,0|2,0,0]=3 1337 B13R1.158 NC(=O)CCOc1cccoc1=O 7a_100000077404_100000744528 [0,1,0,0,0,0|2,0,0]=3 1338 B13R1.158 NC(=O)CCOc1ccncc1Br 34a_100011996408_100000731001 [0,1,0,0,0,0|2,0,0]=3 1339 B13R1.158 NC(=O)CCOc1ccncc1Cl 34a_100011997054_100000731001 [0,1,0,0,0,0|2,0,0]=3 1340 B13R1.158 NC(=O)CCOc1ccncc1F 34a_200000081243_100000731001 [0,1,0,0,0,0|2,0,0]=3 1341 B13R1.158 NC(=O)CCOc1cnccc1Cl 34a_100011996695_100000731001 [0,1,0,0,0,0|2,0,0]=3 1342 B13R1.158 NC(=O)CCOc1cnccc1I 34a_100000050107_100000731001 [0,1,0,0,0,0|2,0,0]=3 1343 B13R1.158 NC(=O)CCOc1cnccc1N 34a_100000753702_100000731001 [0,1,0,0,0,0|2,0,0]=3 1344 B13R1.158 NC(=O)CCOc1cncnc1N 7a_100000112926_100000744528 [0,1,0,0,0,0|3,0,0]=4 1345 B13R1.158 NC(=O)CCOc1coccc1=O 34a_100000060831_100000731001 [0,1,0,0,0,0|2,0,0]=3 1346 B13R1.158 NC(=O)CCOc1ncccc1Cl 34a_100011290957_100000731001 [0,1,0,0,0,0|2,0,0]=3 1347 B13R1.158 NC(=O)CCOc1ncccc1F 34a_100011219419_100000731001 [0,1,0,0,0,0|2,0,0]=3 1348 B13R1.158 NC(=O)CCOc1ncccc1N 34a_100000746358_100000731001 [0,1,0,0,0,0|2,0,0]=3 1349 B13R1.158 NC(=O)CCSc1c[nH]ccc1=O 62a_100000744528_100009998708 [0,1,0,0,0,0|2,1,0]=4 1350 B13R1.158 NC(=O)CCSc1c[nH]ccc1=O 62a_100009998708_100000744528 [0,1,0,0,0,0|2,1,0]=4 1351 B13R1.158 NC(=O)CCSc1c[nH]ccc1=S 62a_100000744528_200012280681 [0,1,0,0,0,0|2,1,0]=4 1352 B13R1.158 NC(=O)CCSc1c[nH]ccc1=S 62a_200012280681_100000744528 [0,1,0,0,0,0|2,1,0]=4 1353 B13R1.158 NC(=O)CCSc1cccc[n+]1[O-] 62a_100000744528_200000042595 [0,1,0,0,0,0|2,1,0]=4 1354 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000695589_100000744528 [0,1,0,0,0,0|1,1,0]=3 1355 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000744528_100000695589 [0,1,0,0,0,0|1,1,0]=3 1356 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000744528_100000764095 [0,1,0,0,0,0|1,1,0]=3 1357 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000764095_100000744528 [0,1,0,0,0,0|1,1,0]=3 1358 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100000744528_100011215700 [0,1,0,0,0,0|1,1,0]=3 1359 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100011215700_100000744528 [0,1,0,0,0,0|1,1,0]=3 1360 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000210017_100000744528 [0,1,0,0,0,0|1,1,0]=3 1361 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000744528_100000210017 [0,1,0,0,0,0|1,1,0]=3 1362 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000739446_100000744528 [0,1,0,0,0,0|1,1,0]=3 1363 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000744528_100000739446 [0,1,0,0,0,0|1,1,0]=3 1364 B13R1.158 NC(=O)CCSc1cccnc1Br 62a_100000744528_100010202626 [0,1,0,0,0,0|2,1,0]=4 1365 B13R1.158 NC(=O)CCSc1cccnc1Br 62a_100010202626_100000744528 [0,1,0,0,0,0|2,1,0]=4 1366 B13R1.158 NC(=O)CCSc1cccnc1Cl 62a_100000036424_100000744528 [0,1,0,0,0,0|2,1,0]=4 1367 B13R1.158 NC(=O)CCSc1cccnc1Cl 62a_100000744528_100000036424 [0,1,0,0,0,0|2,1,0]=4 1368 B13R1.158 NC(=O)CCSc1cccnc1F 62a_100000744528_100009816115 [0,1,0,0,0,0|2,1,0]=4 1369 B13R1.158 NC(=O)CCSc1cccnc1F 62a_100009816115_100000744528 [0,1,0,0,0,0|2,1,0]=4 1370 B13R1.158 NC(=O)CCSc1cccnc1N 62a_100000045569_100000744528 [0,1,0,0,0,0|2,1,0]=4 1371 B13R1.158 NC(=O)CCSc1cccnc1N 62a_100000744528_100000045569 [0,1,0,0,0,0|2,1,0]=4 1372 B13R1.158 NC(=O)CCSc1cccnc1O 62a_100000744528_100000760158 [0,1,0,0,0,0|2,1,0]=4 1373 B13R1.158 NC(=O)CCSc1cccnc1O 62a_100000760158_100000744528 [0,1,0,0,0,0|2,1,0]=4 1374 B13R1.158 NC(=O)CCSc1ccncc1Br 62a_100000726257_100000744528 [0,1,0,0,0,0|2,1,0]=4 1375 B13R1.158 NC(=O)CCSc1ccncc1Br 62a_100000744528_100000726257 [0,1,0,0,0,0|2,1,0]=4 1376 B13R1.158 NC(=O)CCSc1ccncc1Cl 62a_100000708259_100000744528 [0,1,0,0,0,0|2,1,0]=4 1377 B13R1.158 NC(=O)CCSc1ccncc1Cl 62a_100000744528_100000708259 [0,1,0,0,0,0|2,1,0]=4 1378 B13R1.158 NC(=O)CCSc1ccncc1F 62a_100000047030_100000744528 [0,1,0,0,0,0|2,1,0]=4 1379 B13R1.158 NC(=O)CCSc1ccncc1F 62a_100000744528_100000047030 [0,1,0,0,0,0|2,1,0]=4 1380 B13R1.158 NC(=O)CCSc1ccncc1N 62a_100000744528_100000756074 [0,1,0,0,0,0|2,1,0]=4 1381 B13R1.158 NC(=O)CCSc1ccncc1N 62a_100000756074_100000744528 [0,1,0,0,0,0|2,1,0]=4 1382 B13R1.158 NC(=O)CCSc1ccncc1O 62a_100000744528_100009817591 [0,1,0,0,0,0|2,1,0]=4 1383 B13R1.158 NC(=O)CCSc1ccncc1O 62a_100009817591_100000744528 [0,1,0,0,0,0|2,1,0]=4 1384 B13R1.158 NC(=O)CCSc1cnccc1Br 62a_100000744528_100010138639 [0,1,0,0,0,0|2,1,0]=4 1385 B13R1.158 NC(=O)CCSc1cnccc1Br 62a_100010138639_100000744528 [0,1,0,0,0,0|2,1,0]=4 1386 B13R1.158 NC(=O)CCSc1cnccc1Cl 62a_100000744528_100009995489 [0,1,0,0,0,0|2,1,0]=4 1387 B13R1.158 NC(=O)CCSc1cnccc1Cl 62a_100009995489_100000744528 [0,1,0,0,0,0|2,1,0]=4 1388 B13R1.158 NC(=O)CCSc1cnccc1F 62a_100000744528_100009820683 [0,1,0,0,0,0|2,1,0]=4 1389 B13R1.158 NC(=O)CCSc1cnccc1F 62a_100009820683_100000744528 [0,1,0,0,0,0|2,1,0]=4 1390 B13R1.158 NC(=O)CCSc1cnccc1N 62a_100000047001_100000744528 [0,1,0,0,0,0|2,1,0]=4 1391 B13R1.158 NC(=O)CCSc1cnccc1N 62a_100000744528_100000047001 [0,1,0,0,0,0|2,1,0]=4 1392 B13R1.158 NC(=O)CCSc1ncccc1Br 62a_100000696092_100000744528 [0,1,0,0,0,0|2,1,0]=4 1393 B13R1.158 NC(=O)CCSc1ncccc1Br 62a_100000744528_100000696092 [0,1,0,0,0,0|2,1,0]=4 1394 B13R1.158 NC(=O)CCSc1ncccc1Cl 62a_100000744528_100011356963 [0,1,0,0,0,0|2,1,0]=4 1395 B13R1.158 NC(=O)CCSc1ncccc1Cl 62a_100011356963_100000744528 [0,1,0,0,0,0|2,1,0]=4 1396 B13R1.158 NC(=O)CCSc1ncccc1F 62a_100000685392_100000744528 [0,1,0,0,0,0|2,1,0]=4 1397 B13R1.158 NC(=O)CCSc1ncccc1F 62a_100000744528_100000685392 [0,1,0,0,0,0|2,1,0]=4 1398 B13R1.158 NC(=O)CCSc1ncccc1N 62a_100000688686_100000744528 [0,1,0,0,0,0|2,1,0]=4 1399 B13R1.158 NC(=O)CCSc1ncccc1N 62a_100000744528_100000688686 [0,1,0,0,0,0|2,1,0]=4 1400 B13R1.158 NC(=O)CCSc1ncccc1O 62a_100000034122_100000744528 [0,1,0,0,0,0|2,1,0]=4 1401 B13R1.158 NC(=O)CCSc1ncccc1O 62a_100000744528_100000034122 [0,1,0,0,0,0|2,1,0]=4 1402 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747473 [0,1,0,0,0,0|3,0,0]=4 1403 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000711301_100000184730 [0,1,0,0,0,0|3,0,0]=4 1404 B13R1.158 NC(=O)CNCc1ccccc1Br 34a_100000689332_100000187820 [0,1,0,0,0,0|3,0,0]=4 1405 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747473 [0,1,0,0,0,0|3,0,0]=4 1406 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000711301_100000187162 [0,1,0,0,0,0|3,0,0]=4 1407 B13R1.158 NC(=O)CNCc1ccccc1Cl 34a_100000174879_100000187820 [0,1,0,0,0,0|3,0,0]=4 1408 B13R1.158 NC(=O)CNCc1ccccc1F 2230a_100000711301_100000211605 [0,1,0,0,0,0|3,0,0]=4 1409 B13R1.158 NC(=O)CNCc1ccccc1F 34a_100000174869_100000187820 [0,1,0,0,0,0|3,0,0]=4 1410 B13R1.158 NC(=O)CNCc1ccccc1I 2230a_100000711301_100011215278 [0,1,0,0,0,0|3,0,0]=4 1411 B13R1.158 NC(=O)CNCc1ccccc1O 34a_100000185550_100000187820 [0,1,0,0,0,0|3,0,0]=4 1412 B13R1.158 NC(=O)COCc1ccccc1Br 34a_100000756307_100000187820 [0,1,0,0,0,0|3,0,0]=4 1413 B13R1.158 NC(=O)COCc1ccccc1Br 7a_100000756307_100000187820 [0,1,0,0,0,0|3,0,0]=4 1414 B13R1.158 NC(=O)COCc1ccccc1Cl 34a_100000210847_100000187820 [0,1,0,0,0,0|3,0,0]=4 1415 B13R1.158 NC(=O)COCc1ccccc1Cl 7a_100000210847_100000187820 [0,1,0,0,0,0|3,0,0]=4 1416 B13R1.158 NC(=O)COCc1ccccc1F 34a_100000211962_100000187820 [0,1,0,0,0,0|3,0,0]=4 1417 B13R1.158 NC(=O)COCc1ccccc1F 7a_100000211962_100000187820 [0,1,0,0,0,0|3,0,0]=4 1418 B13R1.158 NC(=O)COCc1ccccc1I 34a_100000187465_100000187820 [0,1,0,0,0,0|3,0,0]=4 1419 B13R1.158 NC(=O)COCc1ccccc1I 7a_100000187465_100000187820 [0,1,0,0,0,0|3,0,0]=4 1420 B13R1.158 NC(=O)COCc1ccccc1N 34a_100000212039_100000187820 [0,1,0,0,0,0|3,0,0]=4 1421 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000184730_100000747473 [0,1,0,0,0,0|3,0,0]=4 1422 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000747473_100000184730 [0,1,0,0,0,0|3,0,0]=4 1423 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747473 [0,1,0,0,0,0|3,0,0]=4 1424 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000747473_100000187162 [0,1,0,0,0,0|3,0,0]=4 1425 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000211605_100000747473 [0,1,0,0,0,0|3,0,0]=4 1426 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000747473_100000211605 [0,1,0,0,0,0|3,0,0]=4 1427 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100000747473_100011216222 [0,1,0,0,0,0|3,0,0]=4 1428 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100011216222_100000747473 [0,1,0,0,0,0|3,0,0]=4 1429 B13R1.158 Nc1ccccc1COCC(=O)[O-] 34a_100000212039_100020667443 [0,1,0,0,0,0|2,0,1]=4 1430 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,1,0,0,0,0|2,0,0]=3 1431 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,1,0,0,0,0|2,0,0]=3 1432 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,1,0,0,0,0|2,0,0]=3 1433 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,1,0,0,0,0|2,0,0]=3 1434 B13R1.158 O=C(O)CNCc1cccnc1Br 269956a_100016091260_100010140945 [0,1,0,0,0,0|3,0,0]=4 1435 B13R1.158 O=C(O)CNCc1cccnc1Cl 269956a_100016091260_100000045678 [0,1,0,0,0,0|3,0,0]=4 1436 B13R1.158 O=C(O)CNCc1cccnc1F 269956a_100016091260_100000099810 [0,1,0,0,0,0|3,0,0]=4 1437 B13R1.158 O=C(O)CNCc1ccncc1Cl 269956a_100016091260_100000763264 [0,1,0,0,0,0|3,0,0]=4 1438 B13R1.158 O=C(O)CNCc1ncccc1Br 269956a_100016091260_100025702911 [0,1,0,0,0,0|3,0,0]=4 1439 B13R1.158 O=C(O)CNCc1ncccc1Cl 269956a_100016091260_100000099807 [0,1,0,0,0,0|3,0,0]=4 1440 B13R1.158 O=C(O)CNCc1ncccc1F 269956a_100016091260_100000104219 [0,1,0,0,0,0|3,0,0]=4 1441 B13R1.158 O=C(O)CNCc1ncccc1O 269956a_100016091260_200020655725 [0,1,0,0,0,0|3,0,0]=4 1442 B13R1.158 O=C([O-])CNCc1ccccc1Br 34a_100000689332_100020667443 [0,1,0,0,0,0|2,0,1]=4 1443 B13R1.158 O=C([O-])CNCc1ccccc1Cl 34a_100000174879_100020667443 [0,1,0,0,0,0|2,0,1]=4 1444 B13R1.158 O=C([O-])CNCc1ccccc1F 34a_100000174869_100020667443 [0,1,0,0,0,0|2,0,1]=4 1445 B13R1.158 O=C([O-])CNCc1ccccc1O 34a_100000185550_100020667443 [0,1,0,0,0,0|2,0,1]=4 1446 B13R1.158 O=C([O-])COCc1ccccc1Br 34a_100000756307_100020667443 [0,1,0,0,0,0|2,0,1]=4 1447 B13R1.158 O=C([O-])COCc1ccccc1Cl 34a_100000210847_100020667443 [0,1,0,0,0,0|2,0,1]=4 1448 B13R1.158 O=C([O-])COCc1ccccc1F 34a_100000211962_100020667443 [0,1,0,0,0,0|2,0,1]=4 1449 B13R1.158 O=C([O-])COCc1ccccc1I 34a_100000187465_100020667443 [0,1,0,0,0,0|2,0,1]=4 1450 B13R1.158 O=C([O-])CSCc1ccccc1Br 62a_100000184730_100020667443 [0,1,0,0,0,0|2,0,1]=4 1451 B13R1.158 O=C([O-])CSCc1ccccc1Br 62a_100020667443_100000184730 [0,1,0,0,0,0|2,0,1]=4 1452 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100000187162_100020667443 [0,1,0,0,0,0|2,0,1]=4 1453 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100020667443_100000187162 [0,1,0,0,0,0|2,0,1]=4 1454 B13R1.158 O=C([O-])CSCc1ccccc1F 62a_100000211605_100020667443 [0,1,0,0,0,0|2,0,1]=4 1455 B13R1.158 O=C([O-])CSCc1ccccc1F 62a_100020667443_100000211605 [0,1,0,0,0,0|2,0,1]=4 1456 B13R1.158 O=C([O-])CSCc1ccccc1I 62a_100011216222_100020667443 [0,1,0,0,0,0|2,0,1]=4 1457 B13R1.158 O=C([O-])CSCc1ccccc1I 62a_100020667443_100011216222 [0,1,0,0,0,0|2,0,1]=4 1458 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,1,0,0,0,0|2,0,0]=3 1459 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,1,0,0,0,0|2,0,0]=3 1460 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Br 1458a_100000740817_200025704644 [0,1,0,0,0,0|1,0,0]=2 1461 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Cl 1458a_100000240438_200025704644 [0,1,0,0,0,0|1,0,0]=2 1462 B13R1.158 [13CH3]C(=O)CCOc1ccccc1F 1458a_100000184057_200025704644 [0,1,0,0,0,0|1,0,0]=2 1463 B13R1.158 [13CH3]C(=O)CCSc1ccccc1F 1458a_100000208832_200025704644 [0,1,0,0,0,0|1,1,0]=3 1464 B13R1.158 [13CH3]C(=O)CSCc1ccccc1Cl 1458a_100000150270_200025704644 [0,1,0,0,0,0|3,0,0]=4 1465 B13R1.158 [13CH3]C(=O)CSCc1ccccc1F 1458a_100000150260_200025704644 [0,1,0,0,0,0|3,0,0]=4 1466 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,0,0,0,0|2,0,1]=4 1467 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,1,0,0,0,0|2,0,1]=4 1468 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,1,0,0,0,0|1,0,1]=3 1469 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,1,0,0,0,0|3,0,0]=4 1470 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,1,0,0,0,0|2,1,0]=4 1471 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,1,0,0,0,0|2,1,0]=4 1472 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,1,0,0,0,0|2,0,1]=4 1473 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,1,0,0,0,0|3,0,0]=4 1475 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,1,0,0,0,0|3,0,0]=4 1476 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,1,0,0,0,0|3,0,0]=4 1477 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,1,0,0,0,0|3,0,0]=4 1478 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,1,0,0,0,0|2,0,0]=3 1479 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,1,0,0,0,0|2,0,0]=3 1480 B13R1.348 CN(CC(=O)O)Cc1ccccn1 269956a_100000746989_100000721315 [0,1,0,0,0,0|3,0,0]=4 1481 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [0,1,0,0,0,0|3,0,0]=4 1482 B13R1.348 CN(CC(=O)O)Cc1ccncc1 269956a_100000746989_100015193705 [0,1,0,0,0,0|3,0,0]=4 1483 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,1,0,0,0,0|3,0,0]=4 1484 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [0,1,0,0,0,0|2,0,1]=4 1485 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,1,0,0,0,0|2,0,1]=4 1486 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,1,0,0,0,0|2,0,1]=4 1487 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,1,0,0,0,0|2,0,1]=4 1488 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,1,0,0,0,0|2,0,0]=3 1489 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,1,0,0,0,0|2,0,1]=4 1490 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,1,0,0,0,0|1,0,1]=3 1491 B13R1.351 CC(=O)C(=O)COc1cccnc1 34a_100000210849_100011261029 [0,1,0,0,0,0|2,0,1]=4 1492 B13R1.351 CC(=O)C(=O)COc1ccncc1 34a_100000212176_100011261029 [0,1,0,0,0,0|2,0,1]=4 1493 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,1,0,0,0,0|1,1,1]=4 1494 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,1,0,0,0,0|1,1,1]=4 1495 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,0|2,0,0]=3 1496 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,1,0,0,0,0|3,0,0]=4 1497 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,0,0,0,0|3,0,0]=4 1498 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,0,0,0,0|3,0,0]=4 1499 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,1,0,0,0,0|3,0,0]=4 1500 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,1,0,0,0,0|3,0,0]=4 1501 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,1,0,0,0,0|3,0,0]=4 1502 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,1,0,0,0,0|2,0,0]=3 1503 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,1,0,0,0,0|3,0,0]=4 1504 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,1,0,0,0,0|3,0,0]=4 1505 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,1,0,0,0,0|3,0,0]=4 1506 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,1,0,0,0,0|3,0,0]=4 1507 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,0,0,0,0|3,0,0]=4 1508 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,0|2,0,0]=3 1509 B13R1.351 CC(COc1ccccc1)N(C)C 270004a_100102631434_100000150576 [0,1,0,0,0,0|3,0,0]=4 1510 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,1,0,0,0,0|3,0,0]=4 1511 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,1,0,0,0,0|3,0,0]=4 1512 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,1,0,0,0,0|3,0,0]=4 1513 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,1,0,0,0,0|3,0,0]=4 1514 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,1,0,0,0,0|3,0,0]=4 1515 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,1,0,0,0,0|3,0,0]=4 1516 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,1,0,0,0,0|3,0,0]=4 1517 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,1,0,0,0,0|3,0,0]=4 1518 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,1,0,0,0,0|3,0,0]=4 1519 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,1,0,0,0,0|3,0,0]=4 1520 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,1,0,0,0,0|3,0,0]=4 1521 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,1,0,0,0,0|3,0,0]=4 1522 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,0|2,0,0]=3 1523 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,1,0,0,0,0|3,0,0]=4 1524 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,1,0,0,0,0|3,0,0]=4 1525 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,1,0,0,0,0|3,0,0]=4 1526 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,0,0,0,0|3,0,0]=4 1527 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,1,0,0,0,0|2,0,1]=4 1528 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,1,0,0,0,0|3,0,0]=4 1529 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,1,0,0,0,0|3,0,0]=4 1530 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,1,0,0,0,0|3,0,0]=4 1531 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,1,0,0,0,0|3,0,0]=4 1532 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,1,0,0,0,0|3,0,0]=4 1533 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,1,0,0,0,0|3,0,0]=4 1534 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [0,1,0,0,0,0|2,0,1]=4 1535 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,1,0,0,0,0|2,0,1]=4 1536 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,1,0,0,0,0|2,0,1]=4 1537 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,1,0,0,0,0|2,0,1]=4 1538 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,1,0,0,0,0|2,0,0]=3 1539 B13R1.513 C=C(C)CCNc1ccc(cc1)Br 2230a_100000210018_100000730704 [0,1,0,0,0,0|3,0,0]=4 1540 B13R1.513 C=C(C)CCNc1ccc(cc1)Br 34a_100000210018_100000730704 [0,1,0,0,0,0|3,0,0]=4 1541 B13R1.513 C=C(C)CCNc1ccc(cc1)C 34a_100000124888_100000730704 [0,1,0,0,0,0|3,0,0]=4 1542 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000730704 [0,1,0,0,0,0|3,0,0]=4 1543 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000730704 [0,1,0,0,0,0|3,0,0]=4 1544 B13R1.513 C=C(C)CCNc1ccc(cc1)F 34a_100000185862_100000730704 [0,1,0,0,0,0|3,0,0]=4 1545 B13R1.513 C=C(C)CCNc1ccc(cc1)I 34a_100000185761_100000730704 [0,1,0,0,0,0|3,0,0]=4 1546 B13R1.513 C=C(C)CCNc1ccc(cc1)O 34a_100000185829_100000730704 [0,1,0,0,0,0|3,0,0]=4 1547 B13R1.513 C=C(C)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000730704 [0,1,0,0,0,0|3,0,0]=4 1548 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 34a_100000185759_100000730704 [0,1,0,0,0,0|2,0,0]=3 1549 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 7a_100000185759_100000730704 [0,1,0,0,0,0|2,0,0]=3 1550 B13R1.513 C=C(C)CCOc1ccc(cc1)C 34a_100000210336_100000730704 [0,1,0,0,0,0|2,0,0]=3 1551 B13R1.513 C=C(C)CCOc1ccc(cc1)C 7a_100000210336_100000730704 [0,1,0,0,0,0|2,0,0]=3 1552 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000730704 [0,1,0,0,0,0|2,0,0]=3 1553 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000730704 [0,1,0,0,0,0|2,0,0]=3 1554 B13R1.513 C=C(C)CCOc1ccc(cc1)F 34a_100000210339_100000730704 [0,1,0,0,0,0|2,0,0]=3 1555 B13R1.513 C=C(C)CCOc1ccc(cc1)I 34a_100000212066_100000730704 [0,1,0,0,0,0|2,0,0]=3 1556 B13R1.513 C=C(C)CCOc1ccc(cc1)I 7a_100000212066_100000730704 [0,1,0,0,0,0|2,0,0]=3 1557 B13R1.513 C=C(C)CCOc1ccc(cc1)N 34a_100000185829_100000730704 [0,1,0,0,0,0|2,0,0]=3 1558 B13R1.513 C=C(C)CCOc1ccc(cn1)C 34a_100000759353_100000730704 [0,1,0,0,0,0|3,0,0]=4 1559 B13R1.513 C=C(C)CCOc1ccc(cn1)Cl 34a_100011215309_100000730704 [0,1,0,0,0,0|3,0,0]=4 1560 B13R1.513 C=C(C)CCOc1ccc(cn1)F 34a_100000742473_100000730704 [0,1,0,0,0,0|3,0,0]=4 1561 B13R1.513 C=C(C)CCOc1ccc(cn1)N 34a_100000729260_100000730704 [0,1,0,0,0,0|3,0,0]=4 1562 B13R1.513 C=C(C)CCOc1ccc(nc1)Br 34a_100000685995_100000730704 [0,1,0,0,0,0|3,0,0]=4 1563 B13R1.513 C=C(C)CCOc1ccc(nc1)Br 7a_100000685995_100000730704 [0,1,0,0,0,0|3,0,0]=4 1564 B13R1.513 C=C(C)CCOc1ccc(nc1)C 34a_100000745506_100000730704 [0,1,0,0,0,0|3,0,0]=4 1565 B13R1.513 C=C(C)CCOc1ccc(nc1)C 7a_100000745506_100000730704 [0,1,0,0,0,0|3,0,0]=4 1566 B13R1.513 C=C(C)CCOc1ccc(nc1)Cl 34a_100000744096_100000730704 [0,1,0,0,0,0|3,0,0]=4 1567 B13R1.513 C=C(C)CCOc1ccc(nc1)Cl 7a_100000744096_100000730704 [0,1,0,0,0,0|3,0,0]=4 1568 B13R1.513 C=C(C)CCOc1ccc(nc1)F 34a_100000688820_100000730704 [0,1,0,0,0,0|3,0,0]=4 1569 B13R1.513 C=C(C)CCOc1ccc(nc1)F 7a_100000688820_100000730704 [0,1,0,0,0,0|3,0,0]=4 1570 B13R1.513 C=C(C)CCOc1ccc(nc1)I 34a_100000687607_100000730704 [0,1,0,0,0,0|3,0,0]=4 1571 B13R1.513 C=C(C)CCOc1ccc(nc1)I 7a_100000687607_100000730704 [0,1,0,0,0,0|3,0,0]=4 1572 B13R1.513 C=C(C)CCOc1ccc(nc1)N 34a_100015188713_100000730704 [0,1,0,0,0,0|3,0,0]=4 1573 B13R1.513 C=C(C)CCOc1ccc(nc1)N 7a_100015188713_100000730704 [0,1,0,0,0,0|3,0,0]=4 1574 B13R1.513 C=C(C)CCSc1ccc(cc1)Br 62a_100000730704_100000752885 [0,1,0,0,0,0|2,1,0]=4 1575 B13R1.513 C=C(C)CCSc1ccc(cc1)Br 62a_100000752885_100000730704 [0,1,0,0,0,0|2,1,0]=4 1576 B13R1.513 C=C(C)CCSc1ccc(cc1)C 62a_100000186775_100000730704 [0,1,0,0,0,0|2,1,0]=4 1577 B13R1.513 C=C(C)CCSc1ccc(cc1)C 62a_100000730704_100000186775 [0,1,0,0,0,0|2,1,0]=4 1578 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000730704_100000755918 [0,1,0,0,0,0|2,1,0]=4 1579 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000730704 [0,1,0,0,0,0|2,1,0]=4 1580 B13R1.513 C=C(C)CCSc1ccc(cc1)F 62a_100000211213_100000730704 [0,1,0,0,0,0|2,1,0]=4 1581 B13R1.513 C=C(C)CCSc1ccc(cc1)F 62a_100000730704_100000211213 [0,1,0,0,0,0|2,1,0]=4 1582 B13R1.513 C=C(C)CCSc1ccc(cc1)N 62a_100000185761_100000730704 [0,1,0,0,0,0|2,1,0]=4 1583 B13R1.513 C=C(C)CCSc1ccc(cc1)N 62a_100000730704_100000185761 [0,1,0,0,0,0|2,1,0]=4 1584 B13R1.513 C=C(C)CCSc1ccc(cc1)O 62a_100000730704_100000185759 [0,1,0,0,0,0|2,1,0]=4 1585 B13R1.513 CC(=CCOc1ccc(cc1)Br)C 34a_100000185759_100000761012 [0,1,0,0,0,0|2,0,1]=4 1586 B13R1.513 CC(=CCOc1ccc(cc1)Br)C 7a_100000185759_100000761012 [0,1,0,0,0,0|2,0,1]=4 1587 B13R1.513 CC(=CCOc1ccc(cc1)C)C 34a_100000210336_100000761012 [0,1,0,0,0,0|2,0,1]=4 1588 B13R1.513 CC(=CCOc1ccc(cc1)C)C 7a_100000210336_100000761012 [0,1,0,0,0,0|2,0,1]=4 1589 B13R1.513 CC(=CCOc1ccc(cc1)Cl)C 34a_100000210216_100000761012 [0,1,0,0,0,0|2,0,1]=4 1590 B13R1.513 CC(=CCOc1ccc(cc1)Cl)C 7a_100000210216_100000761012 [0,1,0,0,0,0|2,0,1]=4 1591 B13R1.513 CC(=CCOc1ccc(cc1)F)C 34a_100000210339_100000761012 [0,1,0,0,0,0|2,0,1]=4 1592 B13R1.513 CC(=CCOc1ccc(cc1)I)C 34a_100000212066_100000761012 [0,1,0,0,0,0|2,0,1]=4 1593 B13R1.513 CC(=CCOc1ccc(cc1)I)C 7a_100000212066_100000761012 [0,1,0,0,0,0|2,0,1]=4 1594 B13R1.513 CC(=CCOc1ccc(cc1)N)C 34a_100000185829_100000761012 [0,1,0,0,0,0|2,0,1]=4 1595 B13R1.513 CC(=O)CC#Cc1ccc(cc1)Br 1458a_100000070787_100010706785 [0,1,0,0,0,0|2,0,1]=4 1596 B13R1.513 CC(=O)CC#Cc1ccc(cc1)F 1458a_100000070787_100010402171 [0,1,0,0,0,0|2,0,1]=4 1597 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,1,0,0,0,0|2,0,0]=3 1598 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,1,0,0,0,0|2,0,0]=3 1599 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,1,0,0,0,0|2,0,0]=3 1600 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,1,0,0,0,0|2,0,0]=3 1601 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,1,0,0,0,0|2,0,0]=3 1602 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,1,0,0,0,0|2,0,0]=3 1603 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,1,0,0,0,0|2,0,0]=3 1604 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,1,0,0,0,0|2,0,0]=3 1605 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,1,0,0,0,0|2,0,0]=3 1606 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000070787_100000183278 [0,1,0,0,0,0|1,0,0]=2 1607 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200000210301 [0,1,0,0,0,0|1,0,0]=2 1608 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000053229 [0,1,0,0,0,0|1,0,0]=2 1609 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000070787_100000183172 [0,1,0,0,0,0|1,0,0]=2 1610 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000182323_200000210301 [0,1,0,0,0,0|1,0,0]=2 1611 B13R1.513 CC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000053229 [0,1,0,0,0,0|1,0,0]=2 1612 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [0,1,0,0,0,0|1,0,0]=2 1613 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [0,1,0,0,0,0|1,0,0]=2 1614 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [0,1,0,0,0,0|1,0,0]=2 1615 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000070787_100000184936 [0,1,0,0,0,0|1,0,0]=2 1616 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000737396_200000210301 [0,1,0,0,0,0|1,0,0]=2 1617 B13R1.513 CC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000053229 [0,1,0,0,0,0|1,0,0]=2 1618 B13R1.513 CC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000053229 [0,1,0,0,0,0|2,0,0]=3 1619 B13R1.513 CC(=O)CCOc1ccc(nc1)C 7a_100000745506_100000053229 [0,1,0,0,0,0|2,0,0]=3 1620 B13R1.513 CC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000053229 [0,1,0,0,0,0|2,0,0]=3 1621 B13R1.513 CC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000053229 [0,1,0,0,0,0|2,0,0]=3 1622 B13R1.513 CC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000053229 [0,1,0,0,0,0|2,0,0]=3 1623 B13R1.513 CC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000053229 [0,1,0,0,0,0|2,0,0]=3 1624 B13R1.513 CC(=O)CCOc1cnc(nc1)Br 7a_100000730009_100000053229 [0,1,0,0,0,0|3,0,0]=4 1625 B13R1.513 CC(=O)CCOc1cnc(nc1)C 7a_100000062939_100000053229 [0,1,0,0,0,0|3,0,0]=4 1626 B13R1.513 CC(=O)CCOc1cnc(nc1)Cl 7a_100000092845_100000053229 [0,1,0,0,0,0|3,0,0]=4 1627 B13R1.513 CC(=O)CCOc1cnc(nc1)F 7a_200009874573_100000053229 [0,1,0,0,0,0|3,0,0]=4 1628 B13R1.513 CC(=O)CCOc1cnc(nc1)N 7a_100000087137_100000053229 [0,1,0,0,0,0|3,0,0]=4 1629 B13R1.513 CC(=O)CCSc1cc[n+](cc1)[O-] 62a_100000053229_100000039755 [0,1,0,0,0,0|2,1,0]=4 1630 B13R1.513 CC(=O)CCSc1ccc(=O)[nH]c1 62a_100000053229_100000212171 [0,1,0,0,0,0|2,1,0]=4 1631 B13R1.513 CC(=O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100000053229 [0,1,0,0,0,0|2,1,0]=4 1632 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200000210301 [0,1,0,0,0,0|1,1,0]=3 1633 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000053229_100000752885 [0,1,0,0,0,0|1,1,0]=3 1634 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000053229 [0,1,0,0,0,0|1,1,0]=3 1635 B13R1.513 CC(=O)CCSc1ccc(cc1)C 1458a_100000182377_200000210301 [0,1,0,0,0,0|1,1,0]=3 1636 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000053229_100000186775 [0,1,0,0,0,0|1,1,0]=3 1637 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000053229 [0,1,0,0,0,0|1,1,0]=3 1638 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200000210301 [0,1,0,0,0,0|1,1,0]=3 1639 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000053229_100000755918 [0,1,0,0,0,0|1,1,0]=3 1640 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000053229 [0,1,0,0,0,0|1,1,0]=3 1641 B13R1.513 CC(=O)CCSc1ccc(cc1)F 1458a_100000199091_200000210301 [0,1,0,0,0,0|1,1,0]=3 1642 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000053229_100000211213 [0,1,0,0,0,0|1,1,0]=3 1643 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000053229 [0,1,0,0,0,0|1,1,0]=3 1644 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000053229_100000185761 [0,1,0,0,0,0|1,1,0]=3 1645 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000053229 [0,1,0,0,0,0|1,1,0]=3 1646 B13R1.513 CC(=O)CCSc1ccc(cc1)O 62a_100000053229_100000185759 [0,1,0,0,0,0|1,1,0]=3 1647 B13R1.513 CC(=O)CCSc1ccc(cn1)Br 62a_100000053229_100000686858 [0,1,0,0,0,0|2,1,0]=4 1648 B13R1.513 CC(=O)CCSc1ccc(cn1)Br 62a_100000686858_100000053229 [0,1,0,0,0,0|2,1,0]=4 1649 B13R1.513 CC(=O)CCSc1ccc(cn1)C 62a_100000053229_100000754016 [0,1,0,0,0,0|2,1,0]=4 1650 B13R1.513 CC(=O)CCSc1ccc(cn1)C 62a_100011192072_100000053229 [0,1,0,0,0,0|2,1,0]=4 1651 B13R1.513 CC(=O)CCSc1ccc(cn1)Cl 62a_100000053229_100011356976 [0,1,0,0,0,0|2,1,0]=4 1652 B13R1.513 CC(=O)CCSc1ccc(cn1)Cl 62a_100011356976_100000053229 [0,1,0,0,0,0|2,1,0]=4 1653 B13R1.513 CC(=O)CCSc1ccc(cn1)F 62a_100000053229_100000744514 [0,1,0,0,0,0|2,1,0]=4 1654 B13R1.513 CC(=O)CCSc1ccc(cn1)F 62a_100000744514_100000053229 [0,1,0,0,0,0|2,1,0]=4 1655 B13R1.513 CC(=O)CCSc1ccc(cn1)N 62a_100000053229_100000737798 [0,1,0,0,0,0|2,1,0]=4 1656 B13R1.513 CC(=O)CCSc1ccc(cn1)N 62a_100000737798_100000053229 [0,1,0,0,0,0|2,1,0]=4 1657 B13R1.513 CC(=O)CCSc1ccc(cn1)O 62a_100000053229_100000744096 [0,1,0,0,0,0|2,1,0]=4 1658 B13R1.513 CC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000053229 [0,1,0,0,0,0|2,1,0]=4 1659 B13R1.513 CC(=O)CCSc1ccc(nc1)Br 62a_100000053229_100009814638 [0,1,0,0,0,0|2,1,0]=4 1660 B13R1.513 CC(=O)CCSc1ccc(nc1)Br 62a_100009814638_100000053229 [0,1,0,0,0,0|2,1,0]=4 1661 B13R1.513 CC(=O)CCSc1ccc(nc1)C 62a_100000053229_100000751577 [0,1,0,0,0,0|2,1,0]=4 1662 B13R1.513 CC(=O)CCSc1ccc(nc1)C 62a_100000751577_100000053229 [0,1,0,0,0,0|2,1,0]=4 1663 B13R1.513 CC(=O)CCSc1ccc(nc1)Cl 62a_100000034144_100000053229 [0,1,0,0,0,0|2,1,0]=4 1664 B13R1.513 CC(=O)CCSc1ccc(nc1)Cl 62a_100000053229_100000034144 [0,1,0,0,0,0|2,1,0]=4 1665 B13R1.513 CC(=O)CCSc1ccc(nc1)F 62a_100000042367_100000053229 [0,1,0,0,0,0|2,1,0]=4 1666 B13R1.513 CC(=O)CCSc1ccc(nc1)F 62a_100000053229_100000042367 [0,1,0,0,0,0|2,1,0]=4 1667 B13R1.513 CC(=O)CCSc1ccc(nc1)N 62a_100000053229_100000187370 [0,1,0,0,0,0|2,1,0]=4 1668 B13R1.513 CC(=O)CCSc1ccc(nc1)N 62a_100000187370_100000053229 [0,1,0,0,0,0|2,1,0]=4 1669 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [0,1,0,0,0,0|3,0,0]=4 1670 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [0,1,0,0,0,0|3,0,0]=4 1671 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [0,1,0,0,0,0|3,0,0]=4 1672 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,1,0,0,0,0|3,0,0]=4 1673 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [0,1,0,0,0,0|3,0,0]=4 1674 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [0,1,0,0,0,0|3,0,0]=4 1675 B13R1.513 CC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200000210301 [0,1,0,0,0,0|3,0,0]=4 1676 B13R1.513 CC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200000210301 [0,1,0,0,0,0|3,0,0]=4 1677 B13R1.513 CC(=O)CSCc1ccc(cc1)F 1458a_100000150272_200000210301 [0,1,0,0,0,0|3,0,0]=4 1678 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [0,1,0,0,0,0|3,0,0]=4 1679 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [0,1,0,0,0,0|3,0,0]=4 1680 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [0,1,0,0,0,0|3,0,0]=4 1681 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [0,1,0,0,0,0|3,0,0]=4 1682 B13R1.513 CC(=O)NCCc1ccc(cc1)C 11a_100000705350_100015343762 [0,1,0,0,0,0|3,0,0]=4 1683 B13R1.513 CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100015343762 [0,1,0,0,0,0|3,0,0]=4 1684 B13R1.513 CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100015343762 [0,1,0,0,0,0|3,0,0]=4 1685 B13R1.513 CC(=O)NCCc1ccc(cc1)C 527a_100000705350_100103153847 [0,1,0,0,0,0|3,0,0]=4 1686 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100015343762 [0,1,0,0,0,0|3,0,0]=4 1687 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100015343762 [0,1,0,0,0,0|3,0,0]=4 1688 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100015343762 [0,1,0,0,0,0|3,0,0]=4 1689 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100103153847 [0,1,0,0,0,0|3,0,0]=4 1690 B13R1.513 CC(=O)NCCc1ccc(cc1)F 11a_100000199005_100015343762 [0,1,0,0,0,0|3,0,0]=4 1691 B13R1.513 CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100015343762 [0,1,0,0,0,0|3,0,0]=4 1692 B13R1.513 CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100015343762 [0,1,0,0,0,0|3,0,0]=4 1693 B13R1.513 CC(=O)NCCc1ccc(cc1)F 527a_100000199005_100103153847 [0,1,0,0,0,0|3,0,0]=4 1694 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [0,1,0,0,0,0|3,0,0]=4 1695 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [0,1,0,0,0,0|3,0,0]=4 1696 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [0,1,0,0,0,0|3,0,0]=4 1697 B13R1.513 CC(=O)OCNc1ccc(cc1)Br 34a_100000210018_100009813279 [0,1,0,0,0,0|3,0,0]=4 1698 B13R1.513 CC(=O)OCNc1ccc(cc1)C 34a_100000124888_100009813279 [0,1,0,0,0,0|3,0,0]=4 1699 B13R1.513 CC(=O)OCNc1ccc(cc1)Cl 34a_100000210052_100009813279 [0,1,0,0,0,0|3,0,0]=4 1700 B13R1.513 CC(=O)OCNc1ccc(cc1)F 34a_100000185862_100009813279 [0,1,0,0,0,0|3,0,0]=4 1701 B13R1.513 CC(=O)OCNc1ccc(cc1)I 34a_100000185761_100009813279 [0,1,0,0,0,0|3,0,0]=4 1702 B13R1.513 CC(=O)OCNc1ccc(cc1)O 34a_100000185829_100009813279 [0,1,0,0,0,0|3,0,0]=4 1703 B13R1.513 CC(=O)OCOc1ccc(=O)[nH]c1 34a_100000075641_100009813279 [0,1,0,0,0,0|3,0,0]=4 1704 B13R1.513 CC(=O)OCOc1ccc(cc1)Br 34a_100000185759_100009813279 [0,1,0,0,0,0|2,0,0]=3 1705 B13R1.513 CC(=O)OCOc1ccc(cc1)C 34a_100000210336_100009813279 [0,1,0,0,0,0|2,0,0]=3 1706 B13R1.513 CC(=O)OCOc1ccc(cc1)Cl 34a_100000210216_100009813279 [0,1,0,0,0,0|2,0,0]=3 1707 B13R1.513 CC(=O)OCOc1ccc(cc1)F 34a_100000210339_100009813279 [0,1,0,0,0,0|2,0,0]=3 1708 B13R1.513 CC(=O)OCOc1ccc(cc1)I 34a_100000212066_100009813279 [0,1,0,0,0,0|2,0,0]=3 1709 B13R1.513 CC(=O)OCOc1ccc(cc1)N 34a_100000185829_100009813279 [0,1,0,0,0,0|2,0,0]=3 1710 B13R1.513 CC(=O)OCOc1ccc(cn1)C 34a_100000759353_100009813279 [0,1,0,0,0,0|3,0,0]=4 1711 B13R1.513 CC(=O)OCOc1ccc(cn1)Cl 34a_100011215309_100009813279 [0,1,0,0,0,0|3,0,0]=4 1712 B13R1.513 CC(=O)OCOc1ccc(cn1)F 34a_100000742473_100009813279 [0,1,0,0,0,0|3,0,0]=4 1713 B13R1.513 CC(=O)OCOc1ccc(cn1)N 34a_100000729260_100009813279 [0,1,0,0,0,0|3,0,0]=4 1714 B13R1.513 CC(=O)OCOc1ccc(nc1)Br 34a_100000685995_100009813279 [0,1,0,0,0,0|3,0,0]=4 1715 B13R1.513 CC(=O)OCOc1ccc(nc1)C 34a_100000745506_100009813279 [0,1,0,0,0,0|3,0,0]=4 1716 B13R1.513 CC(=O)OCOc1ccc(nc1)Cl 34a_100000744096_100009813279 [0,1,0,0,0,0|3,0,0]=4 1717 B13R1.513 CC(=O)OCOc1ccc(nc1)F 34a_100000688820_100009813279 [0,1,0,0,0,0|3,0,0]=4 1718 B13R1.513 CC(=O)OCOc1ccc(nc1)I 34a_100000687607_100009813279 [0,1,0,0,0,0|3,0,0]=4 1719 B13R1.513 CC(=O)OCOc1ccc(nc1)N 34a_100015188713_100009813279 [0,1,0,0,0,0|3,0,0]=4 1720 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000076356_100000752885 [0,1,0,0,0,0|2,1,0]=4 1721 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000076356 [0,1,0,0,0,0|2,1,0]=4 1722 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000076356_100000186775 [0,1,0,0,0,0|2,1,0]=4 1723 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000076356 [0,1,0,0,0,0|2,1,0]=4 1724 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000076356_100000755918 [0,1,0,0,0,0|2,1,0]=4 1725 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000076356 [0,1,0,0,0,0|2,1,0]=4 1726 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000076356_100000211213 [0,1,0,0,0,0|2,1,0]=4 1727 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000076356 [0,1,0,0,0,0|2,1,0]=4 1728 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000076356_100000185761 [0,1,0,0,0,0|2,1,0]=4 1729 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000076356 [0,1,0,0,0,0|2,1,0]=4 1730 B13R1.513 CC(=O)OCSc1ccc(cc1)O 62a_100000076356_100000185759 [0,1,0,0,0,0|2,1,0]=4 1731 B13R1.513 CC(C)CCOc1ccc(cc1)Br 34a_100000185759_100000210312 [0,1,0,0,0,0|2,0,1]=4 1732 B13R1.513 CC(C)CCOc1ccc(cc1)Br 7a_100000185759_100000210626 [0,1,0,0,0,0|2,0,1]=4 1733 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000210312 [0,1,0,0,0,0|2,0,1]=4 1734 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000210626 [0,1,0,0,0,0|2,0,1]=4 1735 B13R1.513 CC(C)CCOc1ccc(cc1)F 34a_100000210339_100000210312 [0,1,0,0,0,0|2,0,1]=4 1736 B13R1.513 CC(C)CCOc1ccc(cc1)I 34a_100000212066_100000210312 [0,1,0,0,0,0|2,0,1]=4 1737 B13R1.513 CC(C)CCOc1ccc(cc1)I 7a_100000212066_100000210626 [0,1,0,0,0,0|2,0,1]=4 1738 B13R1.513 CC(C)CCOc1ccc(cc1)N 34a_100000185829_100000210312 [0,1,0,0,0,0|2,0,1]=4 1739 B13R1.513 CC(O)CCNc1ccc(cc1)Br 2230a_100000210018_100012276601 [0,1,0,0,0,0|2,0,1]=4 1740 B13R1.513 CC(O)CCNc1ccc(cc1)Br 34a_100000210018_100012276601 [0,1,0,0,0,0|2,0,1]=4 1741 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2230a_100000210052_100012276601 [0,1,0,0,0,0|2,0,1]=4 1742 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 34a_100000210052_100012276601 [0,1,0,0,0,0|2,0,1]=4 1743 B13R1.513 CC(O)CCNc1ccc(cc1)F 34a_100000185862_100012276601 [0,1,0,0,0,0|2,0,1]=4 1744 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [0,1,0,0,0,0|2,0,1]=4 1745 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [0,1,0,0,0,0|2,0,1]=4 1746 B13R1.513 CC(O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100012276601 [0,1,0,0,0,0|2,0,1]=4 1747 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [0,1,0,0,0,0|1,0,1]=3 1748 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [0,1,0,0,0,0|1,0,1]=3 1749 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [0,1,0,0,0,0|1,0,1]=3 1750 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [0,1,0,0,0,0|1,0,1]=3 1751 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [0,1,0,0,0,0|1,0,1]=3 1752 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [0,1,0,0,0,0|1,0,1]=3 1753 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [0,1,0,0,0,0|1,0,1]=3 1754 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [0,1,0,0,0,0|1,0,1]=3 1755 B13R1.513 CC(O)CCOc1ccc(cn1)Cl 34a_100011215309_100012276601 [0,1,0,0,0,0|2,0,1]=4 1756 B13R1.513 CC(O)CCOc1ccc(cn1)F 34a_100000742473_100012276601 [0,1,0,0,0,0|2,0,1]=4 1757 B13R1.513 CC(O)CCOc1ccc(cn1)N 34a_100000729260_100012276601 [0,1,0,0,0,0|2,0,1]=4 1758 B13R1.513 CC(O)CCOc1ccc(nc1)Br 34a_100000685995_100012276601 [0,1,0,0,0,0|2,0,1]=4 1759 B13R1.513 CC(O)CCOc1ccc(nc1)Br 7a_100000685995_100012276601 [0,1,0,0,0,0|2,0,1]=4 1760 B13R1.513 CC(O)CCOc1ccc(nc1)Cl 34a_100000744096_100012276601 [0,1,0,0,0,0|2,0,1]=4 1761 B13R1.513 CC(O)CCOc1ccc(nc1)Cl 7a_100000744096_100012276601 [0,1,0,0,0,0|2,0,1]=4 1762 B13R1.513 CC(O)CCOc1ccc(nc1)F 34a_100000688820_100012276601 [0,1,0,0,0,0|2,0,1]=4 1763 B13R1.513 CC(O)CCOc1ccc(nc1)F 7a_100000688820_100012276601 [0,1,0,0,0,0|2,0,1]=4 1764 B13R1.513 CC(O)CCOc1ccc(nc1)I 34a_100000687607_100012276601 [0,1,0,0,0,0|2,0,1]=4 1765 B13R1.513 CC(O)CCOc1ccc(nc1)I 7a_100000687607_100012276601 [0,1,0,0,0,0|2,0,1]=4 1766 B13R1.513 CC(O)CCOc1ccc(nc1)N 34a_100015188713_100012276601 [0,1,0,0,0,0|2,0,1]=4 1767 B13R1.513 CC(O)CCOc1ccc(nc1)N 7a_100015188713_100012276601 [0,1,0,0,0,0|2,0,1]=4 1768 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100000752885_100012276601 [0,1,0,0,0,0|1,1,1]=4 1769 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100012276601_100000752885 [0,1,0,0,0,0|1,1,1]=4 1770 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100000755918_100012276601 [0,1,0,0,0,0|1,1,1]=4 1771 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100012276601_100000755918 [0,1,0,0,0,0|1,1,1]=4 1772 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100000211213_100012276601 [0,1,0,0,0,0|1,1,1]=4 1773 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100012276601_100000211213 [0,1,0,0,0,0|1,1,1]=4 1774 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100000185761_100012276601 [0,1,0,0,0,0|1,1,1]=4 1775 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100012276601_100000185761 [0,1,0,0,0,0|1,1,1]=4 1776 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [0,1,0,0,0,0|1,1,1]=4 1777 B13R1.513 CN(C)CCOc1ccc(cc1)Br 2230a_100102631434_100000183278 [0,1,0,0,0,0|3,0,0]=4 1778 B13R1.513 CN(C)CCOc1ccc(cc1)Br 269982a_100102631434_100000183278 [0,1,0,0,0,0|3,0,0]=4 1779 B13R1.513 CN(C)CCOc1ccc(cc1)Br 7a_100000185759_100000755713 [0,1,0,0,0,0|3,0,0]=4 1780 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 2230a_100102631434_100000184122 [0,1,0,0,0,0|3,0,0]=4 1781 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 269982a_100102631434_100000184122 [0,1,0,0,0,0|3,0,0]=4 1782 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000755713 [0,1,0,0,0,0|3,0,0]=4 1783 B13R1.513 CN(C)CCOc1ccc(cc1)F 2230a_100102631434_100000184936 [0,1,0,0,0,0|3,0,0]=4 1784 B13R1.513 CN(C)CCOc1ccc(cc1)F 269982a_100102631434_100000184936 [0,1,0,0,0,0|3,0,0]=4 1785 B13R1.513 CN(C)CCOc1ccc(cc1)I 7a_100000212066_100000755713 [0,1,0,0,0,0|3,0,0]=4 1786 B13R1.513 CN(C)CCOc1ccc(cc1)O 271570a_203496583355_100000174716 [0,1,0,0,0,0|3,0,0]=4 1787 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,1,0,0,0,0|2,0,0]=3 1788 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000174908_100000747473 [0,1,0,0,0,0|3,0,0]=4 1789 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000210814 [0,1,0,0,0,0|3,0,0]=4 1790 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 34a_100000174908_100000187820 [0,1,0,0,0,0|3,0,0]=4 1791 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,1,0,0,0,0|2,0,0]=3 1792 B13R1.513 Cc1ccc(cc1)CNCC(=O)[O-] 34a_100000174908_100020667443 [0,1,0,0,0,0|2,0,1]=4 1793 B13R1.513 Cc1ccc(cc1)COCC(=O)N 34a_100011215236_100000187820 [0,1,0,0,0,0|3,0,0]=4 1794 B13R1.513 Cc1ccc(cc1)COCC(=O)N 7a_100011215236_100000187820 [0,1,0,0,0,0|3,0,0]=4 1795 B13R1.513 Cc1ccc(cc1)COCC(=O)[O-] 34a_100011215236_100020667443 [0,1,0,0,0,0|2,0,1]=4 1796 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000210814_100000747473 [0,1,0,0,0,0|3,0,0]=4 1797 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000210814 [0,1,0,0,0,0|3,0,0]=4 1798 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100000210814_100020667443 [0,1,0,0,0,0|2,0,1]=4 1799 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000210814 [0,1,0,0,0,0|2,0,1]=4 1800 B13R1.513 Cc1ccc(cc1)NCCC(=O)N 34a_100000124888_100000731001 [0,1,0,0,0,0|2,0,0]=3 1801 B13R1.513 Cc1ccc(cc1)NCCC(C)O 34a_100000124888_100012276601 [0,1,0,0,0,0|2,0,1]=4 1802 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [0,1,0,0,0,0|1,0,0]=2 1803 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [0,1,0,0,0,0|1,0,0]=2 1804 B13R1.513 Cc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182323_200025704644 [0,1,0,0,0,0|1,0,0]=2 1805 B13R1.513 Cc1ccc(cc1)OCCC(C)C 34a_100000210336_100000210312 [0,1,0,0,0,0|2,0,1]=4 1806 B13R1.513 Cc1ccc(cc1)OCCC(C)C 7a_100000210336_100000210626 [0,1,0,0,0,0|2,0,1]=4 1807 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [0,1,0,0,0,0|1,0,1]=3 1808 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [0,1,0,0,0,0|1,0,1]=3 1809 B13R1.513 Cc1ccc(cc1)OCCN(C)C 2230a_100015185911_200000210301 [0,1,0,0,0,0|3,0,0]=4 1810 B13R1.513 Cc1ccc(cc1)OCCN(C)C 2230a_100102631434_100000183172 [0,1,0,0,0,0|3,0,0]=4 1811 B13R1.513 Cc1ccc(cc1)OCCN(C)C 269982a_100015185911_200000210301 [0,1,0,0,0,0|3,0,0]=4 1812 B13R1.513 Cc1ccc(cc1)OCCN(C)C 269982a_100102631434_100000183172 [0,1,0,0,0,0|3,0,0]=4 1813 B13R1.513 Cc1ccc(cc1)OCCN(C)C 34a_100015185911_200000210301 [0,1,0,0,0,0|3,0,0]=4 1814 B13R1.513 Cc1ccc(cc1)OCCN(C)C 7a_100000210336_100000755713 [0,1,0,0,0,0|3,0,0]=4 1815 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 2230a_100015185911_200025704644 [0,1,0,0,0,0|3,0,0]=4 1816 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 269982a_100015185911_200025704644 [0,1,0,0,0,0|3,0,0]=4 1817 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 34a_100015185911_200025704644 [0,1,0,0,0,0|3,0,0]=4 1818 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000186775_100000744528 [0,1,0,0,0,0|1,1,0]=3 1819 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000186775 [0,1,0,0,0,0|1,1,0]=3 1820 B13R1.513 Cc1ccc(cc1)SCCC(=O)[13CH3] 1458a_100000182377_200025704644 [0,1,0,0,0,0|1,1,0]=3 1821 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100000186775_100012276601 [0,1,0,0,0,0|1,1,1]=4 1822 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100012276601_100000186775 [0,1,0,0,0,0|1,1,1]=4 1823 B13R1.513 Cc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100016987292 [0,1,0,0,0,0|3,0,0]=4 1824 B13R1.513 Cc1ccc(cn1)OCCC(=O)N 34a_100000745506_100000731001 [0,1,0,0,0,0|2,0,0]=3 1825 B13R1.513 Cc1ccc(cn1)OCCC(=O)N 7a_100000745506_100000744528 [0,1,0,0,0,0|2,0,0]=3 1826 B13R1.513 Cc1ccc(cn1)OCCC(C)O 34a_100000745506_100012276601 [0,1,0,0,0,0|2,0,1]=4 1827 B13R1.513 Cc1ccc(cn1)OCCC(C)O 7a_100000745506_100012276601 [0,1,0,0,0,0|2,0,1]=4 1828 B13R1.513 Cc1ccc(cn1)SCCC(=O)N 62a_100000744528_100000751577 [0,1,0,0,0,0|2,1,0]=4 1829 B13R1.513 Cc1ccc(cn1)SCCC(=O)N 62a_100000751577_100000744528 [0,1,0,0,0,0|2,1,0]=4 1830 B13R1.513 Cc1ccc(nc1)CNCC(=O)O 269956a_100016091260_100000691093 [0,1,0,0,0,0|3,0,0]=4 1831 B13R1.513 Cc1ccc(nc1)OCCC(=O)N 34a_100000759353_100000731001 [0,1,0,0,0,0|2,0,0]=3 1832 B13R1.513 Cc1ccc(nc1)OCCC(C)O 34a_100000759353_100012276601 [0,1,0,0,0,0|2,0,1]=4 1833 B13R1.513 Cc1ccc(nc1)SCCC(=O)N 62a_100000744528_100000754016 [0,1,0,0,0,0|2,1,0]=4 1834 B13R1.513 Cc1ccc(nc1)SCCC(=O)N 62a_100011192072_100000744528 [0,1,0,0,0,0|2,1,0]=4 1835 B13R1.513 Cc1ncc(cn1)OCCC(=O)N 34a_100000062939_100000731001 [0,1,0,0,0,0|3,0,0]=4 1836 B13R1.513 Cc1ncc(cn1)OCCC(=O)N 7a_100000062939_100000744528 [0,1,0,0,0,0|3,0,0]=4 1837 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000744528 [0,1,0,0,0,0|2,0,0]=3 1838 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000731001 [0,1,0,0,0,0|2,0,0]=3 1839 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000744528 [0,1,0,0,0,0|2,0,0]=3 1840 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000731001 [0,1,0,0,0,0|2,0,0]=3 1841 B13R1.513 NC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000731001 [0,1,0,0,0,0|2,0,0]=3 1842 B13R1.513 NC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000731001 [0,1,0,0,0,0|2,0,0]=3 1843 B13R1.513 NC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000731001 [0,1,0,0,0,0|2,0,0]=3 1844 B13R1.513 NC(=O)CCNc1ccc(cn1)Br 27a_100000740010_100000686858 [0,1,0,0,0,0|3,0,0]=4 1845 B13R1.513 NC(=O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000731001 [0,1,0,0,0,0|2,0,0]=3 1846 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [0,1,0,0,0,0|1,0,0]=2 1847 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [0,1,0,0,0,0|1,0,0]=2 1848 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [0,1,0,0,0,0|1,0,0]=2 1849 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [0,1,0,0,0,0|1,0,0]=2 1850 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [0,1,0,0,0,0|1,0,0]=2 1851 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [0,1,0,0,0,0|1,0,0]=2 1852 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [0,1,0,0,0,0|1,0,0]=2 1853 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [0,1,0,0,0,0|1,0,0]=2 1854 B13R1.513 NC(=O)CCOc1ccc(cn1)Cl 34a_100011215309_100000731001 [0,1,0,0,0,0|2,0,0]=3 1855 B13R1.513 NC(=O)CCOc1ccc(cn1)F 34a_100000742473_100000731001 [0,1,0,0,0,0|2,0,0]=3 1856 B13R1.513 NC(=O)CCOc1ccc(cn1)N 34a_100000729260_100000731001 [0,1,0,0,0,0|2,0,0]=3 1857 B13R1.513 NC(=O)CCOc1ccc(nc1)Br 34a_100000685995_100000731001 [0,1,0,0,0,0|2,0,0]=3 1858 B13R1.513 NC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000744528 [0,1,0,0,0,0|2,0,0]=3 1859 B13R1.513 NC(=O)CCOc1ccc(nc1)Cl 34a_100000744096_100000731001 [0,1,0,0,0,0|2,0,0]=3 1860 B13R1.513 NC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000744528 [0,1,0,0,0,0|2,0,0]=3 1861 B13R1.513 NC(=O)CCOc1ccc(nc1)F 34a_100000688820_100000731001 [0,1,0,0,0,0|2,0,0]=3 1862 B13R1.513 NC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000744528 [0,1,0,0,0,0|2,0,0]=3 1863 B13R1.513 NC(=O)CCOc1ccc(nc1)I 34a_100000687607_100000731001 [0,1,0,0,0,0|2,0,0]=3 1864 B13R1.513 NC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000744528 [0,1,0,0,0,0|2,0,0]=3 1865 B13R1.513 NC(=O)CCOc1ccc(nc1)N 34a_100015188713_100000731001 [0,1,0,0,0,0|2,0,0]=3 1866 B13R1.513 NC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000744528 [0,1,0,0,0,0|2,0,0]=3 1867 B13R1.513 NC(=O)CCOc1cnc(cn1)Br 34a_100011934580_100000731001 [0,1,0,0,0,0|3,0,0]=4 1868 B13R1.513 NC(=O)CCOc1cnc(cn1)Cl 34a_100015839800_100000731001 [0,1,0,0,0,0|3,0,0]=4 1869 B13R1.513 NC(=O)CCOc1cnc(nc1)Br 34a_100000730009_100000731001 [0,1,0,0,0,0|3,0,0]=4 1870 B13R1.513 NC(=O)CCOc1cnc(nc1)Br 7a_100000730009_100000744528 [0,1,0,0,0,0|3,0,0]=4 1871 B13R1.513 NC(=O)CCOc1cnc(nc1)Cl 34a_100000092845_100000731001 [0,1,0,0,0,0|3,0,0]=4 1872 B13R1.513 NC(=O)CCOc1cnc(nc1)Cl 7a_100000092845_100000744528 [0,1,0,0,0,0|3,0,0]=4 1873 B13R1.513 NC(=O)CCOc1cnc(nc1)F 34a_200009874573_100000731001 [0,1,0,0,0,0|3,0,0]=4 1874 B13R1.513 NC(=O)CCOc1cnc(nc1)F 7a_200009874573_100000744528 [0,1,0,0,0,0|3,0,0]=4 1875 B13R1.513 NC(=O)CCOc1cnc(nc1)N 34a_100000087137_100000731001 [0,1,0,0,0,0|3,0,0]=4 1876 B13R1.513 NC(=O)CCOc1cnc(nc1)N 7a_100000087137_100000744528 [0,1,0,0,0,0|3,0,0]=4 1877 B13R1.513 NC(=O)CCOc1ncc(cn1)F 34a_100011934040_100000731001 [0,1,0,0,0,0|3,0,0]=4 1878 B13R1.513 NC(=O)CCSc1cc[n+](cc1)[O-] 62a_100000744528_100000039755 [0,1,0,0,0,0|2,1,0]=4 1879 B13R1.513 NC(=O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100000744528 [0,1,0,0,0,0|2,1,0]=4 1880 B13R1.513 NC(=O)CCSc1ccc(=O)[nH]c1 62a_100000744528_100000212171 [0,1,0,0,0,0|2,1,0]=4 1881 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000744528_100000752885 [0,1,0,0,0,0|1,1,0]=3 1882 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000744528 [0,1,0,0,0,0|1,1,0]=3 1883 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000744528_100000755918 [0,1,0,0,0,0|1,1,0]=3 1884 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000744528 [0,1,0,0,0,0|1,1,0]=3 1885 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000744528 [0,1,0,0,0,0|1,1,0]=3 1886 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000744528_100000211213 [0,1,0,0,0,0|1,1,0]=3 1887 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000744528 [0,1,0,0,0,0|1,1,0]=3 1888 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000744528_100000185761 [0,1,0,0,0,0|1,1,0]=3 1889 B13R1.513 NC(=O)CCSc1ccc(cc1)O 62a_100000744528_100000185759 [0,1,0,0,0,0|1,1,0]=3 1890 B13R1.513 NC(=O)CCSc1ccc(cn1)Br 62a_100000686858_100000744528 [0,1,0,0,0,0|2,1,0]=4 1891 B13R1.513 NC(=O)CCSc1ccc(cn1)Br 62a_100000744528_100000686858 [0,1,0,0,0,0|2,1,0]=4 1892 B13R1.513 NC(=O)CCSc1ccc(cn1)Cl 62a_100000744528_100011356976 [0,1,0,0,0,0|2,1,0]=4 1893 B13R1.513 NC(=O)CCSc1ccc(cn1)Cl 62a_100011356976_100000744528 [0,1,0,0,0,0|2,1,0]=4 1894 B13R1.513 NC(=O)CCSc1ccc(cn1)F 62a_100000744514_100000744528 [0,1,0,0,0,0|2,1,0]=4 1895 B13R1.513 NC(=O)CCSc1ccc(cn1)F 62a_100000744528_100000744514 [0,1,0,0,0,0|2,1,0]=4 1896 B13R1.513 NC(=O)CCSc1ccc(cn1)N 62a_100000737798_100000744528 [0,1,0,0,0,0|2,1,0]=4 1897 B13R1.513 NC(=O)CCSc1ccc(cn1)N 62a_100000744528_100000737798 [0,1,0,0,0,0|2,1,0]=4 1898 B13R1.513 NC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000744528 [0,1,0,0,0,0|2,1,0]=4 1899 B13R1.513 NC(=O)CCSc1ccc(cn1)O 62a_100000744528_100000744096 [0,1,0,0,0,0|2,1,0]=4 1900 B13R1.513 NC(=O)CCSc1ccc(nc1)Br 62a_100000744528_100009814638 [0,1,0,0,0,0|2,1,0]=4 1901 B13R1.513 NC(=O)CCSc1ccc(nc1)Br 62a_100009814638_100000744528 [0,1,0,0,0,0|2,1,0]=4 1902 B13R1.513 NC(=O)CCSc1ccc(nc1)Cl 62a_100000034144_100000744528 [0,1,0,0,0,0|2,1,0]=4 1903 B13R1.513 NC(=O)CCSc1ccc(nc1)Cl 62a_100000744528_100000034144 [0,1,0,0,0,0|2,1,0]=4 1904 B13R1.513 NC(=O)CCSc1ccc(nc1)F 62a_100000042367_100000744528 [0,1,0,0,0,0|2,1,0]=4 1905 B13R1.513 NC(=O)CCSc1ccc(nc1)F 62a_100000744528_100000042367 [0,1,0,0,0,0|2,1,0]=4 1906 B13R1.513 NC(=O)CCSc1ccc(nc1)N 62a_100000187370_100000744528 [0,1,0,0,0,0|2,1,0]=4 1907 B13R1.513 NC(=O)CCSc1ccc(nc1)N 62a_100000744528_100000187370 [0,1,0,0,0,0|2,1,0]=4 1908 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747473 [0,1,0,0,0,0|3,0,0]=4 1909 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000711301_100011217064 [0,1,0,0,0,0|3,0,0]=4 1910 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000187820 [0,1,0,0,0,0|3,0,0]=4 1911 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747473 [0,1,0,0,0,0|3,0,0]=4 1912 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000711301_100000694040 [0,1,0,0,0,0|3,0,0]=4 1913 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000187820 [0,1,0,0,0,0|3,0,0]=4 1914 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747473 [0,1,0,0,0,0|3,0,0]=4 1915 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000711301_100000198546 [0,1,0,0,0,0|3,0,0]=4 1916 B13R1.513 NC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000187820 [0,1,0,0,0,0|3,0,0]=4 1917 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100000711301_100000189116 [0,1,0,0,0,0|3,0,0]=4 1918 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747473 [0,1,0,0,0,0|3,0,0]=4 1919 B13R1.513 NC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000187820 [0,1,0,0,0,0|3,0,0]=4 1920 B13R1.513 NC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000187820 [0,1,0,0,0,0|3,0,0]=4 1921 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [0,1,0,0,0,0|3,0,0]=4 1922 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [0,1,0,0,0,0|3,0,0]=4 1923 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [0,1,0,0,0,0|3,0,0]=4 1924 B13R1.513 NC(=O)COCc1ccc(cc1)F 34a_100000210977_100000187820 [0,1,0,0,0,0|3,0,0]=4 1925 B13R1.513 NC(=O)COCc1ccc(cc1)F 7a_100000210977_100000187820 [0,1,0,0,0,0|3,0,0]=4 1926 B13R1.513 NC(=O)COCc1ccc(cc1)I 34a_100000690907_100000187820 [0,1,0,0,0,0|3,0,0]=4 1927 B13R1.513 NC(=O)COCc1ccc(cc1)I 7a_100000690907_100000187820 [0,1,0,0,0,0|3,0,0]=4 1928 B13R1.513 NC(=O)COCc1ccc(cc1)N 34a_100011215238_100000187820 [0,1,0,0,0,0|3,0,0]=4 1929 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [0,1,0,0,0,0|3,0,0]=4 1930 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [0,1,0,0,0,0|3,0,0]=4 1931 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747473 [0,1,0,0,0,0|3,0,0]=4 1932 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000747473_100000187161 [0,1,0,0,0,0|3,0,0]=4 1933 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747473 [0,1,0,0,0,0|3,0,0]=4 1934 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000747473_100000187164 [0,1,0,0,0,0|3,0,0]=4 1935 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747473 [0,1,0,0,0,0|3,0,0]=4 1936 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000747473_100000189116 [0,1,0,0,0,0|3,0,0]=4 1937 B13R1.513 Nc1ccc(cc1)COCC(=O)[O-] 34a_100011215238_100020667443 [0,1,0,0,0,0|2,0,1]=4 1938 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,1,0,0,0,0|2,0,0]=3 1939 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,1,0,0,0,0|2,0,0]=3 1940 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,1,0,0,0,0|2,0,0]=3 1941 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,1,0,0,0,0|2,0,0]=3 1942 B13R1.513 O=C(O)CNCc1ccc(cn1)Br 269956a_100016091260_100000702658 [0,1,0,0,0,0|3,0,0]=4 1943 B13R1.513 O=C(O)CNCc1ccc(cn1)Cl 269956a_100016091260_100012066911 [0,1,0,0,0,0|3,0,0]=4 1944 B13R1.513 O=C(O)CNCc1ccc(cn1)F 269956a_100016091260_100000703193 [0,1,0,0,0,0|3,0,0]=4 1945 B13R1.513 O=C(O)CNCc1ccc(nc1)Br 269956a_100016091260_100009831999 [0,1,0,0,0,0|3,0,0]=4 1946 B13R1.513 O=C(O)CNCc1ccc(nc1)Cl 269956a_100016091260_100000735431 [0,1,0,0,0,0|3,0,0]=4 1947 B13R1.513 O=C(O)CNCc1ccc(nc1)F 269956a_100016091260_100009820150 [0,1,0,0,0,0|3,0,0]=4 1948 B13R1.513 O=C([O-])CNCc1ccc(cc1)Br 34a_100000174875_100020667443 [0,1,0,0,0,0|2,0,1]=4 1949 B13R1.513 O=C([O-])CNCc1ccc(cc1)Cl 34a_100000174871_100020667443 [0,1,0,0,0,0|2,0,1]=4 1950 B13R1.513 O=C([O-])CNCc1ccc(cc1)F 34a_100000174882_100020667443 [0,1,0,0,0,0|2,0,1]=4 1951 B13R1.513 O=C([O-])CNCc1ccc(cc1)I 34a_100016989417_100020667443 [0,1,0,0,0,0|2,0,1]=4 1952 B13R1.513 O=C([O-])CNCc1ccc(cc1)O 34a_100000185549_100020667443 [0,1,0,0,0,0|2,0,1]=4 1953 B13R1.513 O=C([O-])COCc1ccc(cc1)Br 34a_100000695286_100020667443 [0,1,0,0,0,0|2,0,1]=4 1954 B13R1.513 O=C([O-])COCc1ccc(cc1)Cl 34a_100000211118_100020667443 [0,1,0,0,0,0|2,0,1]=4 1955 B13R1.513 O=C([O-])COCc1ccc(cc1)F 34a_100000210977_100020667443 [0,1,0,0,0,0|2,0,1]=4 1956 B13R1.513 O=C([O-])COCc1ccc(cc1)I 34a_100000690907_100020667443 [0,1,0,0,0,0|2,0,1]=4 1957 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100000189115_100020667443 [0,1,0,0,0,0|2,0,1]=4 1958 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100020667443_100000189115 [0,1,0,0,0,0|2,0,1]=4 1959 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100000187161_100020667443 [0,1,0,0,0,0|2,0,1]=4 1960 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100020667443_100000187161 [0,1,0,0,0,0|2,0,1]=4 1961 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100000198546_100020667443 [0,1,0,0,0,0|2,0,1]=4 1962 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100020667443_100000187164 [0,1,0,0,0,0|2,0,1]=4 1963 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100000189116_100020667443 [0,1,0,0,0,0|2,0,1]=4 1964 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100020667443_100000189116 [0,1,0,0,0,0|2,0,1]=4 1965 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,1,0,0,0,0|2,0,0]=3 1966 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,1,0,0,0,0|2,0,0]=3 1967 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,1,0,0,0,0|2,0,0]=3 1968 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,1,0,0,0,0|2,0,0]=3 1969 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,1,0,0,0,0|2,0,0]=3 1970 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200025704644 [0,1,0,0,0,0|1,0,0]=2 1971 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [0,1,0,0,0,0|1,0,0]=2 1972 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)F 1458a_100000737396_200025704644 [0,1,0,0,0,0|1,0,0]=2 1973 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200025704644 [0,1,0,0,0,0|1,1,0]=3 1974 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200025704644 [0,1,0,0,0,0|1,1,0]=3 1975 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)F 1458a_100000199091_200025704644 [0,1,0,0,0,0|1,1,0]=3 1976 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [0,1,0,0,0,0|3,0,0]=4 1977 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200025704644 [0,1,0,0,0,0|3,0,0]=4 1978 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200025704644 [0,1,0,0,0,0|3,0,0]=4 1979 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)F 1458a_100000150272_200025704644 [0,1,0,0,0,0|3,0,0]=4 1980 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,1,0,0,0,0|2,0,1]=4 1981 B13R1.718 C#CC(=O)CC#Cc1ccccc1 1458a_100000211873_100011352542 [0,1,0,0,0,0|2,0,1]=4 1982 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [0,1,0,0,0,0|2,0,0]=3 1983 B13R1.718 C#CC(=O)CCOc1ccccc1 1458a_100000211873_100000184471 [0,1,0,0,0,0|1,0,0]=2 1984 B13R1.718 C#CC(=O)CCSc1ccccc1 1458a_100000211873_100000246102 [0,1,0,0,0,0|1,1,0]=3 1985 B13R1.718 C#CC(=O)CSCc1ccccc1 1458a_100000211873_200011217039 [0,1,0,0,0,0|3,0,0]=4 1986 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,1,0,0,0,0|2,0,1]=4 1987 B13R1.718 C=CC(=O)CC#Cc1ccccc1 1458a_100000185746_100011352542 [0,1,0,0,0,0|2,0,1]=4 1988 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,1,0,0,0,0|2,0,0]=3 1989 B13R1.718 C=CC(=O)CCOc1ccccc1 1458a_100000185746_100000184471 [0,1,0,0,0,0|1,0,0]=2 1990 B13R1.718 C=CC(=O)CCSc1ccccc1 1458a_100000185746_100000246102 [0,1,0,0,0,0|1,1,0]=3 1991 B13R1.718 C=CC(=O)CSCc1ccccc1 1458a_100000185746_200011217039 [0,1,0,0,0,0|3,0,0]=4 1992 B13R1.718 C=CC(=O)NCCc1ccccc1 1626a_100000106460_100000185746 [0,1,0,0,0,0|3,0,0]=4 1993 B13R1.718 C=CC(=O)NCCc1ccccc1 240690a_100000106460_200121576911 [0,1,0,0,0,0|3,0,0]=4 1994 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,1,0,0,0,0|2,0,1]=4 1995 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,1,0,0,0,0|2,0,1]=4 1996 B13R1.718 CCC(=O)CC#Cc1ccccc1 1458a_100000210414_100011352542 [0,1,0,0,0,0|2,0,1]=4 1997 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,1,0,0,0,0|2,0,0]=3 1998 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,1,0,0,0,0|2,0,0]=3 1999 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,1,0,0,0,0|3,0,0]=4 2000 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,1,0,0,0,0|3,0,0]=4 2001 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,1,0,0,0,0|1,0,0]=2 2002 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,1,0,0,0,0|1,0,0]=2 2003 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,1,0,0,0,0|1,1,0]=3 2004 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,1,0,0,0,0|1,1,0]=3 2005 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,1,0,0,0,0|3,0,0]=4 2006 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,1,0,0,0,0|3,0,0]=4 2007 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,1,0,0,0,0|3,0,0]=4 2008 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,1,0,0,0,0|3,0,0]=4 2009 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,1,0,0,0,0|3,0,0]=4 2010 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,1,0,0,0,0|3,0,0]=4 2011 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,1,0,0,0,0|3,0,0]=4 2012 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,1,0,0,0,0|3,0,0]=4 2013 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,1,0,0,0,0|3,0,0]=4 2014 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,1,0,0,0,0|3,0,0]=4 2015 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,1,0,0,0,0|3,0,0]=4 2016 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [0,1,0,0,0,0|3,0,0]=4 2017 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [0,1,0,0,0,0|3,0,0]=4 2018 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [0,1,0,0,0,0|3,0,0]=4 2019 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [0,1,0,0,0,0|3,0,0]=4 2020 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [0,1,0,0,0,0|3,0,0]=4 2021 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [0,1,0,0,0,0|3,0,0]=4 2022 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [0,1,0,0,0,0|3,0,0]=4 2023 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [0,1,0,0,0,0|3,0,0]=4 2024 B13R1.718 CN(CF)CCOc1ccccc1 269982a_100000184383_100015361967 [0,1,0,0,0,0|3,0,0]=4 2025 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,1,0,0,0,0|2,0,1]=4 2026 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,1,0,0,0,0|2,0,1]=4 2027 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,1,0,0,0,0|2,0,1]=4 2028 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,0,0,0,0|2,0,0]=3 2029 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,0,0,0,0|2,0,0]=3 2030 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,0,0,0,0|2,0,0]=3 2031 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,0,0,0,0|2,0,0]=3 2032 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [0,1,0,0,0,0|3,0,0]=4 2033 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [0,1,0,0,0,0|3,0,0]=4 2034 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [0,1,0,0,0,0|3,0,0]=4 2035 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [0,1,0,0,0,0|3,0,0]=4 2036 B13R1.718 CNC(=O)CCCc1ccncc1 11a_106832991635_100020654287 [0,1,0,0,0,0|3,0,0]=4 2037 B13R1.718 CNC(=O)CCCc1ccncc1 1626a_100102657272_100020654287 [0,1,0,0,0,0|3,0,0]=4 2038 B13R1.718 CNC(=O)CCCc1ccncc1 240690a_100102657272_100020654287 [0,1,0,0,0,0|3,0,0]=4 2039 B13R1.718 CNC(=O)CCCc1ccncc1 527a_100102657272_100020654287 [0,1,0,0,0,0|3,0,0]=4 2040 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,1,0,0,0,0|2,0,0]=3 2041 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,1,0,0,0,0|1,0,0]=2 2042 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,1,0,0,0,0|1,0,0]=2 2043 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,1,0,0,0,0|1,0,0]=2 2044 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,1,0,0,0,0|1,0,0]=2 2045 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,1,0,0,0,0|1,0,0]=2 2046 B13R1.718 CNC(=O)CCOc1cccnc1 34a_100000210849_100012179268 [0,1,0,0,0,0|2,0,0]=3 2047 B13R1.718 CNC(=O)CCOc1cccnc1 7a_100000210849_100000737683 [0,1,0,0,0,0|2,0,0]=3 2048 B13R1.718 CNC(=O)CCOc1ccncc1 34a_100000212176_100012179268 [0,1,0,0,0,0|2,0,0]=3 2049 B13R1.718 CNC(=O)CCOc1ccnnc1 34a_100015204005_100012179268 [0,1,0,0,0,0|3,0,0]=4 2050 B13R1.718 CNC(=O)CCOc1cncnc1 7a_100000754086_100000737683 [0,1,0,0,0,0|3,0,0]=4 2051 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,1,0,0,0,0|1,1,0]=3 2052 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,1,0,0,0,0|1,1,0]=3 2053 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,1,0,0,0,0|1,1,0]=3 2054 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,1,0,0,0,0|1,1,0]=3 2055 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,1,0,0,0,0|1,1,0]=3 2056 B13R1.718 CNC(=O)CCSc1ccccn1 62a_100000737683_100011216584 [0,1,0,0,0,0|2,1,0]=4 2057 B13R1.718 CNC(=O)CCSc1ccccn1 62a_100011216584_100000737683 [0,1,0,0,0,0|2,1,0]=4 2058 B13R1.718 CNC(=O)CCSc1cccnc1 62a_100000210063_100000737683 [0,1,0,0,0,0|2,1,0]=4 2059 B13R1.718 CNC(=O)CCSc1cccnc1 62a_100000737683_100000210063 [0,1,0,0,0,0|2,1,0]=4 2060 B13R1.718 CNC(=O)CCSc1ccncc1 62a_100000728582_100000737683 [0,1,0,0,0,0|2,1,0]=4 2061 B13R1.718 CNC(=O)CCSc1ccncc1 62a_100000737683_100000728582 [0,1,0,0,0,0|2,1,0]=4 2062 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,1,0,0,0,0|3,0,0]=4 2063 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,1,0,0,0,0|3,0,0]=4 2064 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,1,0,0,0,0|3,0,0]=4 2065 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,1,0,0,0,0|3,0,0]=4 2066 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,1,0,0,0,0|3,0,0]=4 2067 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,1,0,0,0,0|3,0,0]=4 2068 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,1,0,0,0,0|3,0,0]=4 2069 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,1,0,0,0,0|3,0,0]=4 2070 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,1,0,0,0,0|3,0,0]=4 2071 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,1,0,0,0,0|3,0,0]=4 2072 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,1,0,0,0,0|3,0,0]=4 2073 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,1,0,0,0,0|3,0,0]=4 2074 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,1,0,0,0,0|3,0,0]=4 2075 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,1,0,0,0,0|3,0,0]=4 2076 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,1,0,0,0,0|3,0,0]=4 2077 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,1,0,0,0,0|3,0,0]=4 2078 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,1,0,0,0,0|3,0,0]=4 2079 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,1,0,0,0,0|3,0,0]=4 2080 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,1,0,0,0,0|3,0,0]=4 2081 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,1,0,0,0,0|3,0,0]=4 2082 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,1,0,0,0,0|3,0,0]=4 2083 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,1,0,0,0,0|3,0,0]=4 2084 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,1,0,0,0,0|3,0,0]=4 2085 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,1,0,0,0,0|3,0,0]=4 2086 B13R1.718 COC(=O)C=NNc1ccccc1 4a_100015195140_200011823558 [0,1,0,0,0,0|2,0,1]=4 2087 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,1,0,0,0,0|1,0,0]=2 2088 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,1,0,0,0,0|0,0,0]=1 2089 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,1,0,0,0,0|0,0,0]=1 2090 B13R1.718 COC(=O)CCOc1cccnc1 34a_100000210849_100000742370 [0,1,0,0,0,0|1,0,0]=2 2091 B13R1.718 COC(=O)CCOc1cccnc1 7a_100000210849_100000204255 [0,1,0,0,0,0|1,0,0]=2 2092 B13R1.718 COC(=O)CCOc1ccncc1 34a_100000212176_100000742370 [0,1,0,0,0,0|1,0,0]=2 2093 B13R1.718 COC(=O)CCOc1ccnnc1 34a_100015204005_100000742370 [0,1,0,0,0,0|2,0,0]=3 2094 B13R1.718 COC(=O)CCOc1cncnc1 7a_100000754086_100000204255 [0,1,0,0,0,0|2,0,0]=3 2095 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,1,0,0,0,0|0,1,0]=2 2096 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,1,0,0,0,0|0,1,0]=2 2097 B13R1.718 COC(=O)CCSc1ccccn1 62a_100000204255_100011216584 [0,1,0,0,0,0|1,1,0]=3 2098 B13R1.718 COC(=O)CCSc1ccccn1 62a_100011216584_100000204255 [0,1,0,0,0,0|1,1,0]=3 2099 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000204255_100000210063 [0,1,0,0,0,0|1,1,0]=3 2100 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000210063_100000204255 [0,1,0,0,0,0|1,1,0]=3 2101 B13R1.718 COC(=O)CCSc1cccnn1 62a_100000204255_100016991348 [0,1,0,0,0,0|2,1,0]=4 2102 B13R1.718 COC(=O)CCSc1cccnn1 62a_100016991348_100000204255 [0,1,0,0,0,0|2,1,0]=4 2103 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000204255_100000728582 [0,1,0,0,0,0|1,1,0]=3 2104 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000728582_100000204255 [0,1,0,0,0,0|1,1,0]=3 2105 B13R1.718 COC(=O)CCSc1ccncn1 62a_100000204255_100000703185 [0,1,0,0,0,0|2,1,0]=4 2106 B13R1.718 COC(=O)CCSc1ccncn1 62a_100000703185_100000204255 [0,1,0,0,0,0|2,1,0]=4 2107 B13R1.718 COC(=O)CCSc1ccnnc1 62a_100000204255_100000732662 [0,1,0,0,0,0|2,1,0]=4 2108 B13R1.718 COC(=O)CCSc1ccnnc1 62a_100000732662_100000204255 [0,1,0,0,0,0|2,1,0]=4 2109 B13R1.718 COC(=O)CCSc1cnccn1 62a_100000204255_100000211759 [0,1,0,0,0,0|2,1,0]=4 2110 B13R1.718 COC(=O)CCSc1cnccn1 62a_100000211759_100000204255 [0,1,0,0,0,0|2,1,0]=4 2111 B13R1.718 COC(=O)CCSc1cncnc1 62a_100000204255_100011206942 [0,1,0,0,0,0|2,1,0]=4 2112 B13R1.718 COC(=O)CCSc1cncnc1 62a_100011206942_100000204255 [0,1,0,0,0,0|2,1,0]=4 2113 B13R1.718 COC(=O)CCSc1ncccn1 62a_100000204255_100000211032 [0,1,0,0,0,0|2,1,0]=4 2114 B13R1.718 COC(=O)CCSc1ncccn1 62a_100000211032_100000204255 [0,1,0,0,0,0|2,1,0]=4 2115 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,1,0,0,0,0|2,0,0]=3 2116 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,1,0,0,0,0|2,0,0]=3 2117 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,0,0,0,0|2,0,0]=3 2118 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,0,0,0,0|2,0,0]=3 2119 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,1,0,0,0,0|2,0,0]=3 2120 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,1,0,0,0,0|2,0,0]=3 2121 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [0,1,0,0,0,0|3,0,0]=4 2122 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [0,1,0,0,0,0|3,0,0]=4 2123 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000741622_100000747449 [0,1,0,0,0,0|3,0,0]=4 2124 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000747449_100000741622 [0,1,0,0,0,0|3,0,0]=4 2125 B13R1.718 COC(=O)CSCc1ccncc1 62a_100000747449_100015193705 [0,1,0,0,0,0|3,0,0]=4 2126 B13R1.718 COC(=O)CSCc1ccncc1 62a_100015193705_100000747449 [0,1,0,0,0,0|3,0,0]=4 2127 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,1,0,0,0,0|1,1,0]=3 2128 B13R1.718 COC(=O)OCSc1ccccn1 62a_100011216584_100000139417 [0,1,0,0,0,0|2,1,0]=4 2129 B13R1.718 COC(=O)OCSc1cccnc1 62a_100000210063_100000139417 [0,1,0,0,0,0|2,1,0]=4 2130 B13R1.718 COC(=O)OCSc1ccncc1 62a_100000728582_100000139417 [0,1,0,0,0,0|2,1,0]=4 2131 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,1,0,0,0,0|2,0,1]=4 2132 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,1,0,0,0,0|2,0,1]=4 2133 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,1,0,0,0,0|2,0,0]=3 2134 B13R1.718 O=C(CF)CCCc1ccccn1 1458a_100000752327_100015361967 [0,1,0,0,0,0|3,0,0]=4 2135 B13R1.718 O=C(CF)CCCc1ccncc1 1458a_100020654287_100015361967 [0,1,0,0,0,0|3,0,0]=4 2136 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,1,0,0,0,0|1,0,0]=2 2137 B13R1.718 O=C(CF)CCSc1ccccc1 1458a_100000182436_100015361967 [0,1,0,0,0,0|1,1,0]=3 2138 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,1,0,0,0,0|3,0,0]=4 2139 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,1,0,0,0,0|3,0,0]=4 2140 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,1,0,0,0,0|1,0,1]=3 2141 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,1,0,0,0,0|1,0,1]=3 2142 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,0|1,0,0]=2 2143 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,1,0,0,0,0|0,0,0]=1 2144 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,1,0,0,0,0|0,1,0]=2 2145 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,0|2,0,0]=3 2146 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,0|2,0,0]=3 2147 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,0|2,0,0]=3 2148 B13R1.718 O=C(CO)NCCc1ccccn1 240690a_100000211156_100000210174 [0,1,0,0,0,0|3,0,0]=4 2149 B13R1.718 O=C(CO)NCCc1ccccn1 527a_100000211156_100000210174 [0,1,0,0,0,0|3,0,0]=4 2150 B13R1.718 O=C(CO)NCCc1cccnc1 240690a_100000736294_100000210174 [0,1,0,0,0,0|3,0,0]=4 2151 B13R1.718 O=C(CO)NCCc1cccnc1 527a_100000736294_100000210174 [0,1,0,0,0,0|3,0,0]=4 2152 B13R1.718 O=C(CO)NCCc1ccncc1 240690a_100000742849_100000210174 [0,1,0,0,0,0|3,0,0]=4 2153 B13R1.718 O=C(CO)NCCc1ccncc1 527a_100000742849_100000210174 [0,1,0,0,0,0|3,0,0]=4 2154 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,1,0,0,0,0|3,0,0]=4 2155 B13R1.3523 CC(C)(C)CCOc1ccccc1 34a_100000210340_100000755188 [0,1,0,0,0,0|2,0,1]=4 2156 B13R1.3523 CC(C)(C)CCOc1ccccc1 7a_100000210340_100000755188 [0,1,0,0,0,0|2,0,1]=4 2157 B13R1.3523 CC(C)(O)CCNc1ccccc1 34a_100000106764_100000702414 [0,1,0,0,0,0|2,0,1]=4 2158 B13R1.3523 CC(C)(O)CCOc1ccccc1 34a_100000210340_100000702414 [0,1,0,0,0,0|1,0,1]=3 2159 B13R1.3523 CC(C)(O)CCOc1ccccc1 7a_100000210340_100000702414 [0,1,0,0,0,0|1,0,1]=3 2160 B13R1.3523 CC(C)(O)CCOc1cccnc1 34a_100000210849_100000702414 [0,1,0,0,0,0|2,0,1]=4 2161 B13R1.3523 CC(C)(O)CCOc1cccnc1 7a_100000210849_100000702414 [0,1,0,0,0,0|2,0,1]=4 2162 B13R1.3523 CC(C)(O)CCOc1ccncc1 34a_100000212176_100000702414 [0,1,0,0,0,0|2,0,1]=4 2163 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000702414_100000041952 [0,1,0,0,0,0|1,1,1]=4 2164 B13R1.3523 CC(C)(O)CCSc1ccccc1 62a_100000719477_100000702414 [0,1,0,0,0,0|1,1,1]=4 2165 B13R1.3523 CS(=O)(=O)CCNc1ccccc1 34a_100000106764_100000731031 [0,1,0,0,0,0|2,0,1]=4 2166 B13R1.3523 CS(=O)(=O)CCOc1ccccc1 34a_100000210340_100000731031 [0,1,0,0,0,0|1,0,1]=3 2167 B13R1.3523 CS(=O)(=O)CCOc1ccccc1 7a_100000210340_100000230027 [0,1,0,0,0,0|1,0,1]=3 2168 B13R1.3523 CS(=O)(=O)CCOc1cccnc1 34a_100000210849_100000731031 [0,1,0,0,0,0|2,0,1]=4 2169 B13R1.3523 CS(=O)(=O)CCOc1cccnc1 7a_100000210849_100000230027 [0,1,0,0,0,0|2,0,1]=4 2170 B13R1.3523 CS(=O)(=O)CCOc1ccncc1 34a_100000212176_100000731031 [0,1,0,0,0,0|2,0,1]=4 2171 B13R1.3523 CS(=O)(=O)CCSc1ccccc1 62a_100000719477_100000230027 [0,1,0,0,0,0|1,1,1]=4 2172 B13R1.3523 CS(=O)(=O)CCSc1ccccc1 62a_100000731031_100000041952 [0,1,0,0,0,0|1,1,1]=4 2173 B13R1.3523 C[N+](C)(C)CCOc1ccccc1 34a_100000210340_100000085578 [0,1,0,0,0,0|3,0,0]=4 2174 B13R1.3523 C[N+](C)(C)CCOc1ccccc1 7a_100000210340_100000085578 [0,1,0,0,0,0|3,0,0]=4 2175 B13R1.3523 C[Si](C)(C)CCOc1ccccc1 34a_100000210340_200000733723 [0,1,0,0,0,0|2,1,0]=4 2176 B13R1.3523 C[Si](C)(C)CCOc1ccccc1 7a_100000210340_200000733723 [0,1,0,0,0,0|2,1,0]=4 2177 B13R1.3523 FC(F)(F)CCOc1ccccc1 34a_100000210340_100011219754 [0,1,0,0,0,0|2,0,1]=4 2178 B13R1.3523 FC(F)(F)CCOc1ccccc1 7a_100000210340_100011219754 [0,1,0,0,0,0|2,0,1]=4 2179 B13R1.3523 O=S(=O)([O-])CCNc1ccccc1 34a_100000106764_100000762736 [0,1,0,0,0,0|2,0,1]=4 2180 B13R1.3523 O=S(=O)([O-])CCOc1ccccc1 34a_100000210340_100000762736 [0,1,0,0,0,0|1,0,1]=3 2181 B13R1.3523 O=S(=O)([O-])CCOc1cccnc1 34a_100000210849_100000762736 [0,1,0,0,0,0|2,0,1]=4 2182 B13R1.3523 O=S(=O)([O-])CCOc1ccncc1 34a_100000212176_100000762736 [0,1,0,0,0,0|2,0,1]=4 2183 B13R1.3523 O=S(=O)([O-])CCSc1ccccc1 62a_100000719477_100000762736 [0,1,0,0,0,0|1,1,1]=4 2184 B13R1.3523 O=S(=O)([O-])CCSc1ccccc1 62a_100000762736_100000041952 [0,1,0,0,0,0|1,1,1]=4 2185 B11R0.45 C=CCC(C=C)OCCC(=O)C 7a_100000038011_100000053229 [0,0,1,0,0,0|1,0,2]=4 2186 B11R0.45 C=CCC(C=C)OCCC(=O)N 34a_100000038011_100000731001 [0,0,1,0,0,0|1,0,2]=4 2187 B11R0.45 C=CCC(C=C)OCCC(=O)N 7a_100000038011_100000744528 [0,0,1,0,0,0|1,0,2]=4 2188 B11R0.147 C=CC=CC(=O)CCCC(=O)C 1458a_100016291481_100011215641 [0,0,1,0,0,0|3,0,0]=4 2189 B11R0.147 C=CC=CC(=O)CCCC(=O)N 1458a_100016291481_100102525003 [0,0,1,0,0,0|3,0,0]=4 2190 B11R0.148 C/C=C/C=C/COCCC(=O)N 34a_100016283227_100000731001 [0,0,1,0,0,0|1,0,2]=4 2191 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,1,0,0|2,0,0]=3 2192 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [0,0,0,1,0,0|3,0,0]=4 2193 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [0,0,0,1,0,0|3,0,0]=4 2194 B13R2.10 O=C1C=C(CC1)c2ccncc2 271570a_100010737933_100000035832 [0,0,0,1,0,0|3,0,0]=4 2195 B13R2.31 CN1CC(C1)Oc2ccccc2 269982a_100000751016_200000210301 [0,0,0,1,0,0|3,0,0]=4 2196 B13R2.31 O=C1CC(C1)Sc2ccccc2 62a_100009894365_100000041952 [0,0,0,1,0,0|1,1,0]=3 2197 B13R2.31 O=C1CC(C1)Sc2ccccn2 62a_100009894365_100011216584 [0,0,0,1,0,0|2,1,0]=4 2198 B13R2.31 O=C1CC(C1)Sc2cccnc2 62a_100009894365_100000210063 [0,0,0,1,0,0|2,1,0]=4 2199 B13R2.31 O=C1CC(C1)Sc2ccncc2 62a_100009894365_100000728582 [0,0,0,1,0,0|2,1,0]=4 2200 B13R2.31 [13CH3]N1CC(C1)Oc2ccccc2 269982a_100000751016_200025704644 [0,0,0,1,0,0|3,0,0]=4 2201 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,0,0,1,0,0|2,0,1]=4 2202 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,1,0,0|2,0,0]=3 2203 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,0,0,1,0,0|2,0,1]=4 2204 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,1,0,0|2,0,0]=3 2205 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,0,0,1,0,0|3,0,0]=4 2206 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,0,0,1,0,0|3,0,0]=4 2207 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,0,0,1,0,0|3,0,0]=4 2208 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,0,0,1,0,0|3,0,0]=4 2209 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,0,0,1,0,0|3,0,0]=4 2210 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,0,0,1,0,0|3,0,0]=4 2211 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,0,0,1,0,0|3,0,0]=4 2212 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,0|2,0,0]=3 2213 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,0,0,1,0,0|3,0,0]=4 2214 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,0|2,0,0]=3 2215 B13R2.2382 c1cc(ccn1)OCCC2CO2 34a_100000212176_100000732470 [0,0,0,1,0,0|2,0,1]=4 2216 B13R2.2382 c1ccc(cc1)NCCC2CO2 34a_100000106764_100000732470 [0,0,0,1,0,0|2,0,1]=4 2217 B13R2.2382 c1ccc(cc1)OCCC2CC2 34a_100000210340_100000694398 [0,0,0,1,0,0|2,0,1]=4 2218 B13R2.2382 c1ccc(cc1)OCCC2CC2 7a_100000210340_100000764125 [0,0,0,1,0,0|2,0,1]=4 2219 B13R2.2382 c1ccc(cc1)OCCC2CO2 34a_100000210340_100000732470 [0,0,0,1,0,0|1,0,1]=3 2220 B13R2.2382 c1ccc(cc1)OCCC2CO2 7a_100000210340_100000732470 [0,0,0,1,0,0|1,0,1]=3 2221 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000719477_100000732470 [0,0,0,1,0,0|1,1,1]=4 2222 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000732470_100000041952 [0,0,0,1,0,0|1,1,1]=4 2223 B13R2.2382 c1cncc(c1)OCCC2CO2 34a_100000210849_100000732470 [0,0,0,1,0,0|2,0,1]=4 2224 B13R2.2382 c1cncc(c1)OCCC2CO2 7a_100000210849_100000732470 [0,0,0,1,0,0|2,0,1]=4 2225 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,1,0|3,0,0]=4 2226 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,1,0|2,0,0]=3 2227 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,1,0|2,0,0]=3 2228 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,1,0|3,0,0]=4 2229 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,1,0|3,0,0]=4 2230 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,0,0,0,1,0|3,0,0]=4 2231 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,1,0|2,1,0]=4 2232 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,1,0|2,1,0]=4 2233 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,1,0|3,0,0]=4 2234 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,1,0|2,0,0]=3 2235 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,1,0|2,0,0]=3 2236 B11R1.91 C=C(F)COc1cccnc1 34a_100000210849_100009893438 [0,0,0,0,1,0|3,0,0]=4 2237 B11R1.91 C=C(F)COc1cccnc1 7a_100000210849_100000042424 [0,0,0,0,1,0|3,0,0]=4 2238 B11R1.91 C=C(F)COc1ccncc1 34a_100000212176_100009893438 [0,0,0,0,1,0|3,0,0]=4 2239 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,1,0|2,1,0]=4 2240 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,1,0|2,1,0]=4 2241 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,1,0|1,0,2]=4 2242 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,1,0|1,0,2]=4 2243 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,1,0|1,0,0]=2 2244 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,1,0|1,0,0]=2 2245 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,1,0|2,0,0]=3 2246 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,1,0|2,0,0]=3 2247 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,1,0|2,0,0]=3 2248 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,1,0|2,0,0]=3 2249 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,1,0|2,0,0]=3 2250 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,1,0|2,0,0]=3 2251 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,1,0|1,0,0]=2 2252 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,1,0|2,0,0]=3 2253 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,1,0|2,0,0]=3 2254 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,1,0|1,1,0]=3 2255 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,1,0|2,1,0]=4 2256 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,1,0|2,1,0]=4 2257 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,1,0|2,0,0]=3 2258 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,1,0|2,0,0]=3 2259 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,1,0|2,0,0]=3 2260 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,1,0|2,0,0]=3 2261 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,1,0|3,0,0]=4 2262 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,1,0|3,0,0]=4 2263 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,1,0|3,0,0]=4 2264 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,1,0|3,0,0]=4 2265 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,1,0|3,0,0]=4 2266 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,1,0|3,0,0]=4 2267 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,1,0|3,0,0]=4 2268 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,1,0|3,0,0]=4 2269 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,1,0|3,0,0]=4 2270 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,1,0|3,0,0]=4 2271 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,1,0|3,0,0]=4 2272 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,1,0|3,0,0]=4 2273 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,0,0,0,1,0|2,0,1]=4 2274 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,0,0,0,1,0|2,0,1]=4 2275 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,1,0|2,0,1]=4 2276 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,1,0|1,0,1]=3 2277 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,1,0|1,0,1]=3 2278 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,0,0,0,1,0|2,0,1]=4 2279 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,0,0,0,1,0|2,0,1]=4 2280 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,0,0,0,1,0|2,0,1]=4 2281 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,1,0|1,1,1]=4 2282 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,1,0|1,1,1]=4 2283 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,1,0|3,0,0]=4 2284 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,1,0|3,0,0]=4 2285 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,1,0|3,0,0]=4 2286 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,1,0|3,0,0]=4 2287 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,1,0|3,0,0]=4 2288 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,1,0|3,0,0]=4 2289 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,1,0|2,0,1]=4 2290 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,1,0|1,0,1]=3 2291 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,1,0|1,0,1]=3 2292 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,0,0,0,1,0|2,0,1]=4 2293 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,0,0,0,1,0|2,0,1]=4 2294 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,0,0,0,1,0|2,0,1]=4 2295 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,1,0|1,1,1]=4 2296 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,1,0|1,1,1]=4 2297 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,0,0,0,1,0|2,0,1]=4 2298 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,0,0,0,1,0|2,0,1]=4 2299 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,1,0|2,0,0]=3 2300 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,1,0|1,0,0]=2 2301 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,1,0|1,0,0]=2 2302 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,1,0|2,0,0]=3 2303 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,1,0|2,0,0]=3 2304 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,1,0|2,0,0]=3 2305 B11R1.91 NC(=O)COc1ccnnc1 34a_100015204005_100000187820 [0,0,0,0,1,0|3,0,0]=4 2306 B11R1.91 NC(=O)COc1cncnc1 7a_100000754086_100000187820 [0,0,0,0,1,0|3,0,0]=4 2307 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,1,0|1,1,0]=3 2308 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,1,0|1,1,0]=3 2309 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,1,0|2,1,0]=4 2310 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,1,0|2,1,0]=4 2311 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,1,0|2,1,0]=4 2312 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,1,0|2,1,0]=4 2313 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,1,0|2,1,0]=4 2314 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,1,0|2,1,0]=4 2315 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,1,0|1,0,1]=3 2316 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,1,0|0,0,1]=2 2317 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,1,0|1,0,1]=3 2318 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,1,0|1,0,1]=3 2319 B11R1.91 O=C([O-])COc1ccnnc1 34a_100015204005_100020667443 [0,0,0,0,1,0|2,0,1]=4 2320 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,1,0|0,1,1]=3 2321 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,1,0|0,1,1]=3 2322 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,1,0|1,1,1]=4 2323 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,1,0|1,1,1]=4 2324 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,1,0|1,1,1]=4 2325 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,1,0|1,1,1]=4 2326 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,1,0|1,1,1]=4 2327 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,1,0|1,1,1]=4 2328 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,1,0|2,0,1]=4 2329 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,1,0|1,0,1]=3 2330 B11R1.91 O=[N+]([O-])COc1cccnc1 34a_100000210849_100000761209 [0,0,0,0,1,0|2,0,1]=4 2331 B11R1.91 O=[N+]([O-])COc1ccncc1 34a_100000212176_100000761209 [0,0,0,0,1,0|2,0,1]=4 2332 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,1,0|1,1,1]=4 2333 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,1,0|1,0,2]=4 2334 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,1,0|1,0,2]=4 2335 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,1,0|1,0,0]=2 2336 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,1,0|2,0,0]=3 2337 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,1,0|2,0,0]=3 2338 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,1,0|2,0,0]=3 2339 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,1,0|1,0,0]=2 2340 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,1,0|2,0,0]=3 2341 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,1,0|2,0,0]=3 2342 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,1,0|1,1,0]=3 2343 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,1,0|2,1,0]=4 2344 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,1,0|2,1,0]=4 2345 B11R1.172 C=C(C)CCOc1ccsc1 34a_100000106738_100000730704 [0,0,0,0,1,0|3,0,0]=4 2346 B11R1.172 C=C(C)CCOc1ccsc1 7a_100000106738_100000730704 [0,0,0,0,1,0|3,0,0]=4 2347 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,1,0|3,0,0]=4 2348 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,1,0|3,0,0]=4 2349 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,0,0,0,1,0|3,0,0]=4 2350 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,0,0,0,1,0|3,0,0]=4 2351 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,1,0|2,0,0]=3 2352 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,1,0|2,1,0]=4 2353 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,1,0|2,1,0]=4 2354 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,1,0|2,1,0]=4 2355 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,1,0|2,1,0]=4 2356 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,1,0|2,1,0]=4 2357 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,1,0|2,1,0]=4 2358 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,1,0|2,1,0]=4 2359 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,1,0|2,1,0]=4 2360 B11R1.172 CC(=O)OCOc1ccsc1 34a_100000106738_100009813279 [0,0,0,0,1,0|3,0,0]=4 2361 B11R1.172 CC(O)CCOc1ccsc1 34a_100000106738_100012276601 [0,0,0,0,1,0|2,0,1]=4 2362 B11R1.172 CC(O)CCOc1ccsc1 7a_100000106738_100012276601 [0,0,0,0,1,0|2,0,1]=4 2363 B11R1.172 NC(=O)CCOc1ccsc1 34a_100000106738_100000731001 [0,0,0,0,1,0|2,0,0]=3 2364 B11R1.172 NC(=O)CCOc1ccsc1 7a_100000106738_100000744528 [0,0,0,0,1,0|2,0,0]=3 2365 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,1,0|2,1,0]=4 2366 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,1,0|2,1,0]=4 2367 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,0,0,0,1,0|2,1,0]=4 2368 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,0,0,0,1,0|2,1,0]=4 2369 B11R1.172 NC(=O)CCSc1ccoc1 62a_100000744528_100011215275 [0,0,0,0,1,0|2,1,0]=4 2370 B11R1.172 NC(=O)CCSc1ccoc1 62a_100011215275_100000744528 [0,0,0,0,1,0|2,1,0]=4 2371 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000738268_100000744528 [0,0,0,0,1,0|2,1,0]=4 2372 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000744528_100000738268 [0,0,0,0,1,0|2,1,0]=4 2373 B11R1.172 O=C(O)CNCc1ccsc1 269956a_100016091260_100011261437 [0,0,0,0,1,0|3,0,0]=4 2374 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,1,0|3,0,0]=4 2375 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,0,0,0,1,0|3,0,0]=4 2376 B13R1.337 C=C(Br)CCOCc1ccccc1 34a_100009813270_100015291786 [0,0,0,0,0,1|2,0,0]=3 2377 B13R1.337 C=C(Br)CCOCc1ccccn1 34a_100009813270_100000721315 [0,0,0,0,0,1|3,0,0]=4 2378 B13R1.337 C=C(Br)CCOCc1cccnc1 34a_100009813270_100000733263 [0,0,0,0,0,1|3,0,0]=4 2379 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [0,0,0,0,0,1|3,0,0]=4 2380 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [0,0,0,0,0,1|3,0,0]=4 2381 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,0,0,0,0,1|2,0,0]=3 2382 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,0,0,0,0,1|2,0,0]=3 2383 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,0,0,0,0,1|2,0,0]=3 2384 B13R1.337 C=C(C)CCOCc1ccccn1 34a_100000764851_100000721315 [0,0,0,0,0,1|3,0,0]=4 2385 B13R1.337 C=C(C)CCOCc1cccnc1 34a_100000764851_100000733263 [0,0,0,0,0,1|3,0,0]=4 2386 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [0,0,0,0,0,1|2,1,0]=4 2387 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [0,0,0,0,0,1|2,1,0]=4 2388 B13R1.337 C=C(C)CNCCc1ccccc1 2230a_100000106460_100000748629 [0,0,0,0,0,1|3,0,0]=4 2389 B13R1.337 C=C(C)CNCCc1ccccc1 34a_100000106460_100000748629 [0,0,0,0,0,1|3,0,0]=4 2390 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,0,0,0,0,1|3,0,0]=4 2391 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,0,0,0,0,1|3,0,0]=4 2392 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,0,0,0,0,1|3,0,0]=4 2393 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000748629_100011218657 [0,0,0,0,0,1|3,0,0]=4 2394 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000765856_100000211660 [0,0,0,0,0,1|3,0,0]=4 2395 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100000748629_100011218342 [0,0,0,0,0,1|2,1,0]=4 2396 B13R1.337 C=C(C)CSCSc1ccccc1 62a_100011218342_100000211660 [0,0,0,0,0,1|2,1,0]=4 2397 B13R1.337 C=C(F)CNCCc1ccccc1 2230a_100000106460_100009893438 [0,0,0,0,0,1|3,0,0]=4 2398 B13R1.337 C=C(F)CNCCc1ccccc1 34a_100000106460_100009893438 [0,0,0,0,0,1|3,0,0]=4 2399 B13R1.337 C=C(F)COCCc1ccccc1 34a_100000210268_100009893438 [0,0,0,0,0,1|3,0,0]=4 2400 B13R1.337 C=C(F)COCCc1ccccc1 34a_200010262243_100000765856 [0,0,0,0,0,1|3,0,0]=4 2401 B13R1.337 C=C(F)COCCc1ccccc1 7a_100000210268_100000042424 [0,0,0,0,0,1|3,0,0]=4 2402 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000042424_100011218657 [0,0,0,0,0,1|3,0,0]=4 2403 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000765856_100000042424 [0,0,0,0,0,1|3,0,0]=4 2404 B13R1.337 C=C(F)CSCSc1ccccc1 62a_100000042424_100011218342 [0,0,0,0,0,1|2,1,0]=4 2405 B13R1.337 C=C(F)CSCSc1ccccc1 62a_100011218342_100000042424 [0,0,0,0,0,1|2,1,0]=4 2406 B13R1.337 CC(=CCCNc1ccccc1)C 34a_100000106764_100011217483 [0,0,0,0,0,1|3,0,0]=4 2407 B13R1.337 CC(=CCCOc1ccccc1)C 34a_100000210340_100011217483 [0,0,0,0,0,1|2,0,0]=3 2408 B13R1.337 CC(=CCCOc1ccccc1)C 7a_100000210340_100011217483 [0,0,0,0,0,1|2,0,0]=3 2409 B13R1.337 CC(=CCCOc1cccnc1)C 34a_100000210849_100011217483 [0,0,0,0,0,1|3,0,0]=4 2410 B13R1.337 CC(=CCCOc1cccnc1)C 7a_100000210849_100011217483 [0,0,0,0,0,1|3,0,0]=4 2411 B13R1.337 CC(=CCCOc1ccncc1)C 34a_100000212176_100011217483 [0,0,0,0,0,1|3,0,0]=4 2412 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100000719477_100011217483 [0,0,0,0,0,1|2,1,0]=4 2413 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100011217483_100000041952 [0,0,0,0,0,1|2,1,0]=4 2414 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [0,0,0,0,0,1|2,0,1]=4 2415 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [0,0,0,0,0,1|2,0,1]=4 2416 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [0,0,0,0,0,1|2,0,1]=4 2417 B13R1.337 CC(=O)C=CCCc1ccccc1 1458a_100016484021_200000210301 [0,0,0,0,0,1|2,0,1]=4 2418 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,0,0,0,0,1|2,0,0]=3 2419 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,0,0,0,0,1|2,0,0]=3 2420 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [0,0,0,0,0,1|3,0,0]=4 2421 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,0,0,0,0,1|2,0,0]=3 2422 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,0,0,0,0,1|1,0,0]=2 2423 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,0,0,0,0,1|1,0,0]=2 2424 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,0,0,0,0,1|1,0,0]=2 2425 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,0,0,0,0,1|1,0,0]=2 2426 B13R1.337 CC(=O)CCCOc1cccnc1 34a_100000210849_100000685027 [0,0,0,0,0,1|2,0,0]=3 2427 B13R1.337 CC(=O)CCCOc1cccnc1 7a_100000210849_100011215641 [0,0,0,0,0,1|2,0,0]=3 2428 B13R1.337 CC(=O)CCCOc1ccncc1 34a_100000212176_100000685027 [0,0,0,0,0,1|2,0,0]=3 2429 B13R1.337 CC(=O)CCCOc1ccnnc1 34a_100015204005_100000685027 [0,0,0,0,0,1|3,0,0]=4 2430 B13R1.337 CC(=O)CCCOc1cncnc1 7a_100000754086_100011215641 [0,0,0,0,0,1|3,0,0]=4 2431 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,0,0,0,0,1|1,1,0]=3 2432 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,0,0,0,0,1|1,1,0]=3 2433 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,0,0,0,0,1|1,1,0]=3 2434 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,0,0,0,0,1|1,1,0]=3 2435 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011215641_100011216584 [0,0,0,0,0,1|2,1,0]=4 2436 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011216584_100011215641 [0,0,0,0,0,1|2,1,0]=4 2437 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100000210063_100011215641 [0,0,0,0,0,1|2,1,0]=4 2438 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100011215641_100000210063 [0,0,0,0,0,1|2,1,0]=4 2439 B13R1.337 CC(=O)CCCSc1ccncc1 62a_100000728582_100011215641 [0,0,0,0,0,1|2,1,0]=4 2440 B13R1.337 CC(=O)CCCSc1ccncc1 62a_100011215641_100000728582 [0,0,0,0,0,1|2,1,0]=4 2441 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,0,0,0,0,1|1,0,0]=2 2442 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,0,0,0,0,1|1,0,0]=2 2443 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,0,0,0,0,1|1,0,0]=2 2444 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,0,0,0,0,1|1,0,0]=2 2445 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,0,0,0,0,1|1,0,0]=2 2446 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [0,0,0,0,0,1|2,0,0]=3 2447 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [0,0,0,0,0,1|2,0,0]=3 2448 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [0,0,0,0,0,1|2,0,0]=3 2449 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [0,0,0,0,0,1|2,0,0]=3 2450 B13R1.337 CC(=O)CCOCc1cccnn1 34a_100000759926_100016990269 [0,0,0,0,0,1|3,0,0]=4 2451 B13R1.337 CC(=O)CCOCc1cccnn1 7a_100000759926_100016990269 [0,0,0,0,0,1|3,0,0]=4 2452 B13R1.337 CC(=O)CCOCc1ccncc1 7a_100000759926_100015193705 [0,0,0,0,0,1|2,0,0]=3 2453 B13R1.337 CC(=O)CCOCc1cnccn1 34a_100000759926_100016995436 [0,0,0,0,0,1|3,0,0]=4 2454 B13R1.337 CC(=O)CCOCc1cnccn1 7a_100000759926_100016995436 [0,0,0,0,0,1|3,0,0]=4 2455 B13R1.337 CC(=O)CCOCc1cncnc1 34a_100000759926_100015196519 [0,0,0,0,0,1|3,0,0]=4 2456 B13R1.337 CC(=O)CCOCc1cncnc1 7a_100000759926_100015196519 [0,0,0,0,0,1|3,0,0]=4 2457 B13R1.337 CC(=O)CCOCc1ncccn1 34a_100000759926_100000703007 [0,0,0,0,0,1|3,0,0]=4 2458 B13R1.337 CC(=O)CCOCc1ncccn1 7a_100000759926_100000703007 [0,0,0,0,0,1|3,0,0]=4 2459 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,0,0,0,0,1|1,1,0]=3 2460 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,0,0,0,0,1|1,1,0]=3 2461 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,0,0,0,0,1|1,1,0]=3 2462 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,0,0,0,0,1|1,1,0]=3 2463 B13R1.337 CC(=O)CCSCc1ccccn1 1458a_100000742633_200000210301 [0,0,0,0,0,1|2,1,0]=4 2464 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000053229_100000721315 [0,0,0,0,0,1|2,1,0]=4 2465 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000721315_100000053229 [0,0,0,0,0,1|2,1,0]=4 2466 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [0,0,0,0,0,1|2,1,0]=4 2467 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [0,0,0,0,0,1|2,1,0]=4 2468 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100000053229_100015193705 [0,0,0,0,0,1|2,1,0]=4 2469 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100015193705_100000053229 [0,0,0,0,0,1|2,1,0]=4 2470 B13R1.337 CC(=O)CCSSc1ccccn1 1458a_100000068049_200000210301 [0,0,0,0,0,1|2,1,0]=4 2471 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,0,0,0,0,1|2,0,0]=3 2472 B13R1.337 CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100015343762 [0,0,0,0,0,1|2,0,1]=4 2473 B13R1.337 CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100015343762 [0,0,0,0,0,1|2,0,1]=4 2474 B13R1.337 CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100015343762 [0,0,0,0,0,1|2,0,1]=4 2475 B13R1.337 CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100103153847 [0,0,0,0,0,1|2,0,1]=4 2476 B13R1.337 CC(=O)NCC#Cc1ccccc1 11a_100000735379_100015343762 [0,0,0,0,0,1|2,0,1]=4 2477 B13R1.337 CC(=O)NCC#Cc1ccccc1 1626a_100000735379_100015343762 [0,0,0,0,0,1|2,0,1]=4 2478 B13R1.337 CC(=O)NCC#Cc1ccccc1 240690a_100000735379_100015343762 [0,0,0,0,0,1|2,0,1]=4 2479 B13R1.337 CC(=O)NCC#Cc1ccccc1 527a_100000735379_100103153847 [0,0,0,0,0,1|2,0,1]=4 2480 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,0,0,0,0,1|2,0,0]=3 2481 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,0,0,0,0,1|2,0,0]=3 2482 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,0,0,0,0,1|2,0,0]=3 2483 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,0,0,0,0,1|2,0,0]=3 2484 B13R1.337 CC(=O)NCCCc1ccccn1 11a_100000689020_100015343762 [0,0,0,0,0,1|3,0,0]=4 2485 B13R1.337 CC(=O)NCCCc1ccccn1 1626a_100000689020_100015343762 [0,0,0,0,0,1|3,0,0]=4 2486 B13R1.337 CC(=O)NCCCc1ccccn1 240690a_100000689020_100015343762 [0,0,0,0,0,1|3,0,0]=4 2487 B13R1.337 CC(=O)NCCCc1ccccn1 527a_100000689020_100103153847 [0,0,0,0,0,1|3,0,0]=4 2488 B13R1.337 CC(=O)NCCCc1cccnc1 11a_100011532358_100015343762 [0,0,0,0,0,1|3,0,0]=4 2489 B13R1.337 CC(=O)NCCCc1cccnc1 240690a_100011532358_100015343762 [0,0,0,0,0,1|3,0,0]=4 2490 B13R1.337 CC(=O)NCCCc1ccncc1 1626a_100011275580_100015343762 [0,0,0,0,0,1|3,0,0]=4 2491 B13R1.337 CC(=O)NCCCc1ccncc1 240690a_100011275580_100015343762 [0,0,0,0,0,1|3,0,0]=4 2492 B13R1.337 CC(=O)NCCCc1ccncc1 527a_100011275580_100103153847 [0,0,0,0,0,1|3,0,0]=4 2493 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [0,0,0,0,0,1|1,0,0]=2 2494 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [0,0,0,0,0,1|1,0,0]=2 2495 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [0,0,0,0,0,1|1,0,0]=2 2496 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [0,0,0,0,0,1|1,0,0]=2 2497 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [0,0,0,0,0,1|1,0,0]=2 2498 B13R1.337 CC(=O)NCCOc1ccccn1 11a_106741647558_100015343762 [0,0,0,0,0,1|2,0,0]=3 2499 B13R1.337 CC(=O)NCCOc1ccccn1 1626a_106741647558_100015343762 [0,0,0,0,0,1|2,0,0]=3 2500 B13R1.337 CC(=O)NCCOc1ccccn1 240690a_106741647558_100015343762 [0,0,0,0,0,1|2,0,0]=3 2501 B13R1.337 CC(=O)NCCOc1ccccn1 527a_106741647558_100103153847 [0,0,0,0,0,1|2,0,0]=3 2502 B13R1.337 CC(=O)NCCOc1cccnc1 11a_100000754688_100015343762 [0,0,0,0,0,1|2,0,0]=3 2503 B13R1.337 CC(=O)NCCOc1cccnc1 240690a_100000754688_100015343762 [0,0,0,0,0,1|2,0,0]=3 2504 B13R1.337 CC(=O)NCCOc1cccnc1 527a_100000754688_100103153847 [0,0,0,0,0,1|2,0,0]=3 2505 B13R1.337 CC(=O)NCCOc1cccnc1 7a_100000210849_100000189650 [0,0,0,0,0,1|2,0,0]=3 2506 B13R1.337 CC(=O)NCCOc1ccncc1 11a_100025717301_100015343762 [0,0,0,0,0,1|2,0,0]=3 2507 B13R1.337 CC(=O)NCCOc1ccncc1 240690a_100025717301_100015343762 [0,0,0,0,0,1|2,0,0]=3 2508 B13R1.337 CC(=O)NCCOc1ccncc1 527a_100025717301_100103153847 [0,0,0,0,0,1|2,0,0]=3 2509 B13R1.337 CC(=O)NCCOc1cncnc1 7a_100000754086_100000189650 [0,0,0,0,0,1|3,0,0]=4 2510 B13R1.337 CC(=O)NCCSc1ccccc1 240690a_100000189519_100015343762 [0,0,0,0,0,1|1,1,0]=3 2511 B13R1.337 CC(=O)NCCSc1ccccc1 527a_100000189519_100103153847 [0,0,0,0,0,1|1,1,0]=3 2512 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000189650_100000041952 [0,0,0,0,0,1|1,1,0]=3 2513 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000719477_100000189650 [0,0,0,0,0,1|1,1,0]=3 2514 B13R1.337 CC(=O)NCCSc1ccccn1 62a_100000189650_100011216584 [0,0,0,0,0,1|2,1,0]=4 2515 B13R1.337 CC(=O)NCCSc1ccccn1 62a_100011216584_100000189650 [0,0,0,0,0,1|2,1,0]=4 2516 B13R1.337 CC(=O)NCCSc1cccnc1 62a_100000189650_100000210063 [0,0,0,0,0,1|2,1,0]=4 2517 B13R1.337 CC(=O)NCCSc1cccnc1 62a_100000210063_100000189650 [0,0,0,0,0,1|2,1,0]=4 2518 B13R1.337 CC(=O)NCCSc1ccncc1 62a_100000189650_100000728582 [0,0,0,0,0,1|2,1,0]=4 2519 B13R1.337 CC(=O)NCCSc1ccncc1 62a_100000728582_100000189650 [0,0,0,0,0,1|2,1,0]=4 2520 B13R1.337 CC(=O)NNCCc1ccccc1 22a_100000740470_100000070787 [0,0,0,0,0,1|3,0,0]=4 2521 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [0,0,0,0,0,1|2,0,1]=4 2522 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [0,0,0,0,0,1|2,0,0]=3 2523 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [0,0,0,0,0,1|1,0,0]=2 2524 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [0,0,0,0,0,1|1,0,0]=2 2525 B13R1.337 CC(=O)OCCOc1cccnc1 34a_100000210849_100009814007 [0,0,0,0,0,1|2,0,0]=3 2526 B13R1.337 CC(=O)OCCOc1cccnc1 7a_100000210849_100009814007 [0,0,0,0,0,1|2,0,0]=3 2527 B13R1.337 CC(=O)OCCOc1ccncc1 34a_100000212176_100009814007 [0,0,0,0,0,1|2,0,0]=3 2528 B13R1.337 CC(=O)OCCOc1ccnnc1 34a_100015204005_100009814007 [0,0,0,0,0,1|3,0,0]=4 2529 B13R1.337 CC(=O)OCCOc1cncnc1 7a_100000754086_100009814007 [0,0,0,0,0,1|3,0,0]=4 2530 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [0,0,0,0,0,1|1,1,0]=3 2531 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [0,0,0,0,0,1|1,1,0]=3 2532 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100009814007_100011216584 [0,0,0,0,0,1|2,1,0]=4 2533 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100011216584_100009814007 [0,0,0,0,0,1|2,1,0]=4 2534 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100000210063_100009814007 [0,0,0,0,0,1|2,1,0]=4 2535 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100009814007_100000210063 [0,0,0,0,0,1|2,1,0]=4 2536 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100000728582_100009814007 [0,0,0,0,0,1|2,1,0]=4 2537 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100009814007_100000728582 [0,0,0,0,0,1|2,1,0]=4 2538 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [0,0,0,0,0,1|3,0,0]=4 2539 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,0,0,0,0,1|2,0,0]=3 2540 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [0,0,0,0,0,1|2,1,0]=4 2541 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [0,0,0,0,0,1|2,1,0]=4 2542 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,0,0,0,0,1|2,0,1]=4 2543 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [0,0,0,0,0,1|2,0,1]=4 2544 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [0,0,0,0,0,1|2,0,1]=4 2545 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,0,0,0,0,1|2,0,1]=4 2546 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,0,0,0,0,1|2,0,1]=4 2547 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,0,0,0,0,1|2,0,1]=4 2548 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,0,0,0,0,1|2,0,1]=4 2549 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100000174943_100000210206 [0,0,0,0,0,1|2,0,1]=4 2550 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100138425928_100000184471 [0,0,0,0,0,1|2,0,1]=4 2551 B13R1.337 CC(C)NCCOc1ccccc1 34a_100000174943_100000210206 [0,0,0,0,0,1|2,0,1]=4 2552 B13R1.337 CC(C)NCCOc1ccccc1 34a_100138425928_100000184471 [0,0,0,0,0,1|2,0,1]=4 2553 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210260_100000210206 [0,0,0,0,0,1|2,0,1]=4 2554 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210340_100000211751 [0,0,0,0,0,1|2,0,1]=4 2555 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000212225_100000184471 [0,0,0,0,0,1|2,0,1]=4 2556 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210260_100000210206 [0,0,0,0,0,1|2,0,1]=4 2557 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210340_100000211751 [0,0,0,0,0,1|2,0,1]=4 2558 B13R1.337 CC(C)SCCOc1ccccc1 34a_100000210340_100000730970 [0,0,0,0,0,1|2,0,1]=4 2559 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000184471_100000210206 [0,0,0,0,0,1|2,0,1]=4 2560 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000210206_100000184471 [0,0,0,0,0,1|2,0,1]=4 2561 B13R1.337 CC(C)SCCOc1ccccc1 7a_100000210340_100000730970 [0,0,0,0,0,1|2,0,1]=4 2562 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [0,0,0,0,0,1|2,0,1]=4 2563 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,0,0,0,0,1|1,0,1]=3 2564 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,0,0,0,0,1|1,0,1]=3 2565 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,0,0,0,0,1|2,0,1]=4 2566 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,0,0,0,0,1|2,0,1]=4 2567 B13R1.337 CC(O)CCCOc1ccncc1 34a_100000212176_200000718107 [0,0,0,0,0,1|2,0,1]=4 2568 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [0,0,0,0,0,1|1,1,1]=4 2569 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [0,0,0,0,0,1|1,1,1]=4 2570 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,0,0,0,0,1|2,0,1]=4 2571 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,0,0,0,0,1|2,0,1]=4 2572 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,0,0,0,0,1|2,0,1]=4 2573 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,0,0,0,0,1|2,0,1]=4 2574 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,0,0,0,0,1|2,0,1]=4 2575 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,0,0,0,0,1|1,0,1]=3 2576 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,0,0,0,0,1|1,0,1]=3 2577 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,0,0,0,0,1|1,1,1]=4 2578 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,0,0,0,0,1|1,1,1]=4 2579 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [0,0,0,0,0,1|2,0,1]=4 2580 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [0,0,0,0,0,1|2,0,1]=4 2581 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [0,0,0,0,0,1|2,0,1]=4 2582 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [0,0,0,0,0,1|2,0,1]=4 2583 B13R1.337 CC(O)CNCSc1ccccc1 2230a_100000210904_100011218342 [0,0,0,0,0,1|1,1,1]=4 2584 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,0,0,0,0,1|2,0,1]=4 2585 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,0,0,0,0,1|2,0,1]=4 2586 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [0,0,0,0,0,1|2,0,1]=4 2587 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [0,0,0,0,0,1|2,0,1]=4 2588 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218342_100011218427 [0,0,0,0,0,1|1,1,1]=4 2589 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218427_100011218342 [0,0,0,0,0,1|1,1,1]=4 2590 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [0,0,0,0,0,1|3,0,0]=4 2591 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [0,0,0,0,0,1|3,0,0]=4 2592 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [0,0,0,0,0,1|3,0,0]=4 2593 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [0,0,0,0,0,1|3,0,0]=4 2594 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [0,0,0,0,0,1|3,0,0]=4 2595 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,0,0,0,0,1|3,0,0]=4 2596 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,0,0,0,0,1|3,0,0]=4 2597 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,0,0,0,0,1|3,0,0]=4 2598 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,0,0,0,0,1|3,0,0]=4 2599 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,0,0,0,0,1|3,0,0]=4 2600 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [0,0,0,0,0,1|3,0,0]=4 2601 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [0,0,0,0,0,1|3,0,0]=4 2602 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,0,0,0,0,1|3,0,0]=4 2603 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,0,0,0,0,1|3,0,0]=4 2604 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,0,0,0,0,1|2,0,1]=4 2605 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [0,0,0,0,0,1|2,0,1]=4 2606 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [0,0,0,0,0,1|2,0,1]=4 2607 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,0,0,0,0,1|2,0,1]=4 2608 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,0,0,0,0,1|2,0,1]=4 2609 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [0,0,0,0,0,1|2,0,1]=4 2610 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [0,0,0,0,0,1|2,0,1]=4 2611 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100009817552_100011218342 [0,0,0,0,0,1|1,1,1]=4 2612 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100011218342_100009817552 [0,0,0,0,0,1|1,1,1]=4 2613 B13R1.337 FC(=CCCNc1ccccc1)F 34a_100000106764_200009816681 [0,0,0,0,0,1|3,0,0]=4 2614 B13R1.337 FC(=CCCOc1ccccc1)F 34a_100000210340_200009816681 [0,0,0,0,0,1|2,0,0]=3 2615 B13R1.337 FC(=CCCOc1ccccc1)F 7a_100000210340_200009816681 [0,0,0,0,0,1|2,0,0]=3 2616 B13R1.337 FC(=CCCOc1cccnc1)F 34a_100000210849_200009816681 [0,0,0,0,0,1|3,0,0]=4 2617 B13R1.337 FC(=CCCOc1cccnc1)F 7a_100000210849_200009816681 [0,0,0,0,0,1|3,0,0]=4 2618 B13R1.337 FC(=CCCOc1ccncc1)F 34a_100000212176_200009816681 [0,0,0,0,0,1|3,0,0]=4 2619 B13R1.337 FC(=CCCSc1ccccc1)F 62a_100000719477_200009816681 [0,0,0,0,0,1|2,1,0]=4 2620 B13R1.337 FC(=CCCSc1ccccc1)F 62a_200009816681_100000041952 [0,0,0,0,0,1|2,1,0]=4 2621 B13R1.337 FC(F)CCOCc1ccccc1 34a_100103093639_100015291786 [0,0,0,0,0,1|2,0,1]=4 2622 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,0,0,0,1|2,0,0]=3 2623 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,0,0,0,0,1|1,0,0]=2 2624 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,0,0,0,0,1|1,0,0]=2 2625 B13R1.337 NC(=O)CCCOc1cccnc1 34a_100000210849_100102525003 [0,0,0,0,0,1|2,0,0]=3 2626 B13R1.337 NC(=O)CCCOc1cccnc1 7a_100000210849_100102525003 [0,0,0,0,0,1|2,0,0]=3 2627 B13R1.337 NC(=O)CCCOc1ccncc1 34a_100000212176_100102525003 [0,0,0,0,0,1|2,0,0]=3 2628 B13R1.337 NC(=O)CCCOc1ccnnc1 34a_100015204005_100102525003 [0,0,0,0,0,1|3,0,0]=4 2629 B13R1.337 NC(=O)CCCOc1cncnc1 7a_100000754086_100102525003 [0,0,0,0,0,1|3,0,0]=4 2630 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,0,0,0,0,1|1,1,0]=3 2631 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,0,0,0,0,1|1,1,0]=3 2632 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100011216584_100102525003 [0,0,0,0,0,1|2,1,0]=4 2633 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100102525003_100011216584 [0,0,0,0,0,1|2,1,0]=4 2634 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100000210063_100102525003 [0,0,0,0,0,1|2,1,0]=4 2635 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100102525003_100000210063 [0,0,0,0,0,1|2,1,0]=4 2636 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100000728582_100102525003 [0,0,0,0,0,1|2,1,0]=4 2637 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100102525003_100000728582 [0,0,0,0,0,1|2,1,0]=4 2638 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,0,0,0,0,1|2,0,0]=3 2639 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,0,0,0,0,1|2,0,0]=3 2640 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,0,0,0,0,1|2,0,0]=3 2641 B13R1.337 NC(=O)CCNCc1ccccn1 207a_100000740010_100000209966 [0,0,0,0,0,1|3,0,0]=4 2642 B13R1.337 NC(=O)CCNCc1cccnc1 207a_100000740010_100000209961 [0,0,0,0,0,1|3,0,0]=4 2643 B13R1.337 NC(=O)CCNCc1ccncc1 207a_100000740010_100000186114 [0,0,0,0,0,1|3,0,0]=4 2644 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,0,0,0,0,1|1,0,0]=2 2645 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,0,0,0,0,1|1,0,0]=2 2646 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,0,0,0,0,1|1,0,0]=2 2647 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,0,0,0,0,1|1,0,0]=2 2648 B13R1.337 NC(=O)CCOCc1ccccn1 34a_100000757172_100000721315 [0,0,0,0,0,1|2,0,0]=3 2649 B13R1.337 NC(=O)CCOCc1ccccn1 7a_100000757172_100000721315 [0,0,0,0,0,1|2,0,0]=3 2650 B13R1.337 NC(=O)CCOCc1cccnc1 34a_100000757172_100000733263 [0,0,0,0,0,1|2,0,0]=3 2651 B13R1.337 NC(=O)CCOCc1cccnc1 7a_100000757172_100000741622 [0,0,0,0,0,1|2,0,0]=3 2652 B13R1.337 NC(=O)CCOCc1cccnn1 34a_100000757172_100016990269 [0,0,0,0,0,1|3,0,0]=4 2653 B13R1.337 NC(=O)CCOCc1cccnn1 7a_100000757172_100016990269 [0,0,0,0,0,1|3,0,0]=4 2654 B13R1.337 NC(=O)CCOCc1ccncc1 7a_100000757172_100015193705 [0,0,0,0,0,1|2,0,0]=3 2655 B13R1.337 NC(=O)CCOCc1cnccn1 34a_100000757172_100016995436 [0,0,0,0,0,1|3,0,0]=4 2656 B13R1.337 NC(=O)CCOCc1cnccn1 7a_100000757172_100016995436 [0,0,0,0,0,1|3,0,0]=4 2657 B13R1.337 NC(=O)CCOCc1cncnc1 34a_100000757172_100015196519 [0,0,0,0,0,1|3,0,0]=4 2658 B13R1.337 NC(=O)CCOCc1cncnc1 7a_100000757172_100015196519 [0,0,0,0,0,1|3,0,0]=4 2659 B13R1.337 NC(=O)CCOCc1ncccn1 34a_100000757172_100000703007 [0,0,0,0,0,1|3,0,0]=4 2660 B13R1.337 NC(=O)CCOCc1ncccn1 7a_100000757172_100000703007 [0,0,0,0,0,1|3,0,0]=4 2661 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,0,0,0,0,1|1,1,0]=3 2662 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,0,0,0,0,1|1,1,0]=3 2663 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [0,0,0,0,0,1|2,1,0]=4 2664 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [0,0,0,0,0,1|2,1,0]=4 2665 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [0,0,0,0,0,1|2,1,0]=4 2666 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [0,0,0,0,0,1|2,1,0]=4 2667 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100000744528_100015193705 [0,0,0,0,0,1|2,1,0]=4 2668 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100015193705_100000744528 [0,0,0,0,0,1|2,1,0]=4 2669 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,0,0,0,0,1|2,0,0]=3 2670 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,0,0,0,0,1|2,0,0]=3 2671 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,0,0,0,0,1|2,0,0]=3 2672 B13R1.337 NC(=O)CNCCc1ccccn1 2230a_100000711301_100015183660 [0,0,0,0,0,1|3,0,0]=4 2673 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000711301_200011713674 [0,0,0,0,0,1|3,0,0]=4 2674 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000736294_100000747473 [0,0,0,0,0,1|3,0,0]=4 2675 B13R1.337 NC(=O)CNCCc1ccncc1 2230a_100000711301_100000723409 [0,0,0,0,0,1|3,0,0]=4 2676 B13R1.337 NC(=O)CNCSc1ccccc1 2230a_100000711301_100011218342 [0,0,0,0,0,1|1,1,0]=3 2677 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,0,0,0,0,1|2,0,0]=3 2678 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,0,0,0,0,1|2,0,0]=3 2679 B13R1.337 NC(=O)COCCc1ccccn1 34a_100000210271_100000187820 [0,0,0,0,0,1|3,0,0]=4 2680 B13R1.337 NC(=O)COCCc1cccnc1 34a_100011217484_100000187820 [0,0,0,0,0,1|3,0,0]=4 2681 B13R1.337 NC(=O)COCCc1ccncc1 34a_100011216225_100000187820 [0,0,0,0,0,1|3,0,0]=4 2682 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,0,0,0,0,1|2,0,0]=3 2683 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,0,0,0,0,1|2,0,0]=3 2684 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100000747473_100015183660 [0,0,0,0,0,1|3,0,0]=4 2685 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100015183660_100000747473 [0,0,0,0,0,1|3,0,0]=4 2686 B13R1.337 NC(=O)CSCCc1cccnc1 62a_100000747473_200011713674 [0,0,0,0,0,1|3,0,0]=4 2687 B13R1.337 NC(=O)CSCCc1cccnc1 62a_200011713674_100000747473 [0,0,0,0,0,1|3,0,0]=4 2688 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000723409_100000747473 [0,0,0,0,0,1|3,0,0]=4 2689 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000747473_100000723409 [0,0,0,0,0,1|3,0,0]=4 2690 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100000747473_100011218342 [0,0,0,0,0,1|1,1,0]=3 2691 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100011218342_100000747473 [0,0,0,0,0,1|1,1,0]=3 2692 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,0,0,0,0,1|1,0,0]=2 2693 B13R1.337 NC(=O)NCCOc1cccnc1 7a_100000210849_200000034859 [0,0,0,0,0,1|2,0,0]=3 2694 B13R1.337 NC(=O)NCCOc1cncnc1 7a_100000754086_200000034859 [0,0,0,0,0,1|3,0,0]=4 2695 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [0,0,0,0,0,1|1,1,0]=3 2696 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [0,0,0,0,0,1|1,1,0]=3 2697 B13R1.337 NC(=O)NCCSc1ccccn1 62a_100011216584_200000034859 [0,0,0,0,0,1|2,1,0]=4 2698 B13R1.337 NC(=O)NCCSc1ccccn1 62a_200000034859_100011216584 [0,0,0,0,0,1|2,1,0]=4 2699 B13R1.337 NC(=O)NCCSc1cccnc1 62a_100000210063_200000034859 [0,0,0,0,0,1|2,1,0]=4 2700 B13R1.337 NC(=O)NCCSc1cccnc1 62a_200000034859_100000210063 [0,0,0,0,0,1|2,1,0]=4 2701 B13R1.337 NC(=O)NCCSc1ccncc1 62a_100000728582_200000034859 [0,0,0,0,0,1|2,1,0]=4 2702 B13R1.337 NC(=O)NCCSc1ccncc1 62a_200000034859_100000728582 [0,0,0,0,0,1|2,1,0]=4 2703 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [0,0,0,0,0,1|2,0,0]=3 2704 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,0,0,0,0,1|1,0,0]=2 2705 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,0,0,0,0,1|1,0,0]=2 2706 B13R1.337 NC(=O)OCCOc1cccnc1 34a_100000210849_200011214921 [0,0,0,0,0,1|2,0,0]=3 2707 B13R1.337 NC(=O)OCCOc1cccnc1 7a_100000210849_200011214921 [0,0,0,0,0,1|2,0,0]=3 2708 B13R1.337 NC(=O)OCCOc1ccncc1 34a_100000212176_200011214921 [0,0,0,0,0,1|2,0,0]=3 2709 B13R1.337 NC(=O)OCCOc1ccnnc1 34a_100015204005_200011214921 [0,0,0,0,0,1|3,0,0]=4 2710 B13R1.337 NC(=O)OCCOc1cncnc1 7a_100000754086_200011214921 [0,0,0,0,0,1|3,0,0]=4 2711 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [0,0,0,0,0,1|1,1,0]=3 2712 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [0,0,0,0,0,1|1,1,0]=3 2713 B13R1.337 NC(=O)OCCSc1ccccn1 62a_100011216584_200011214921 [0,0,0,0,0,1|2,1,0]=4 2714 B13R1.337 NC(=O)OCCSc1ccccn1 62a_200011214921_100011216584 [0,0,0,0,0,1|2,1,0]=4 2715 B13R1.337 NC(=O)OCCSc1cccnc1 62a_100000210063_200011214921 [0,0,0,0,0,1|2,1,0]=4 2716 B13R1.337 NC(=O)OCCSc1cccnc1 62a_200011214921_100000210063 [0,0,0,0,0,1|2,1,0]=4 2717 B13R1.337 NC(=O)OCCSc1ccncc1 62a_100000728582_200011214921 [0,0,0,0,0,1|2,1,0]=4 2718 B13R1.337 NC(=O)OCCSc1ccncc1 62a_200011214921_100000728582 [0,0,0,0,0,1|2,1,0]=4 2719 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,0,0,0,1|1,0,0]=2 2720 B13R1.337 O=C(O)CNCCc1ccccn1 269956a_100016091260_100015183660 [0,0,0,0,0,1|2,0,0]=3 2721 B13R1.337 O=C(O)CNCCc1cccnc1 269956a_100016091260_200011713674 [0,0,0,0,0,1|2,0,0]=3 2722 B13R1.337 O=C(O)CNCCc1ccncc1 269956a_100016091260_100000723409 [0,0,0,0,0,1|2,0,0]=3 2723 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,0,0,0,0,1|0,1,0]=2 2724 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,0,0,0,1|2,0,0]=3 2725 B13R1.337 O=C(O)CONCc1ccccn1 269956a_100000106656_100000721315 [0,0,0,0,0,1|3,0,0]=4 2726 B13R1.337 O=C(O)CONCc1cccnc1 269956a_100000106656_100000733263 [0,0,0,0,0,1|3,0,0]=4 2727 B13R1.337 O=C(O)CONCc1ccncc1 269956a_100000106656_100015193705 [0,0,0,0,0,1|3,0,0]=4 2728 B13R1.337 O=C([O-])CNCCc1ccccc1 34a_100000106460_100020667443 [0,0,0,0,0,1|1,0,1]=3 2729 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,0,0,0,0,1|1,0,1]=3 2730 B13R1.337 O=C([O-])COCCc1ccccn1 34a_100000210271_100020667443 [0,0,0,0,0,1|2,0,1]=4 2731 B13R1.337 O=C([O-])COCCc1cccnc1 34a_100011217484_100020667443 [0,0,0,0,0,1|2,0,1]=4 2732 B13R1.337 O=C([O-])COCCc1ccncc1 34a_100011216225_100020667443 [0,0,0,0,0,1|2,0,1]=4 2733 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [0,0,0,0,0,1|1,0,1]=3 2734 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [0,0,0,0,0,1|1,0,1]=3 2735 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100015183660_100020667443 [0,0,0,0,0,1|2,0,1]=4 2736 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100020667443_100015183660 [0,0,0,0,0,1|2,0,1]=4 2737 B13R1.337 O=C([O-])CSCCc1cccnc1 62a_100020667443_200011713674 [0,0,0,0,0,1|2,0,1]=4 2738 B13R1.337 O=C([O-])CSCCc1cccnc1 62a_200011713674_100020667443 [0,0,0,0,0,1|2,0,1]=4 2739 B13R1.337 O=C([O-])CSCCc1ccncc1 62a_100000723409_100020667443 [0,0,0,0,0,1|2,0,1]=4 2740 B13R1.337 O=C([O-])CSCCc1ccncc1 62a_100020667443_100000723409 [0,0,0,0,0,1|2,0,1]=4 2741 B13R1.337 O=C([O-])CSCSc1ccccc1 62a_100011218342_100020667443 [0,0,0,0,0,1|0,1,1]=3 2742 B13R1.337 O=C([O-])CSCSc1ccccc1 62a_100020667443_100011218342 [0,0,0,0,0,1|0,1,1]=3 2743 B13R1.337 O=[N+]([O-])CNCCc1ccccc1 34a_100000106460_100000761209 [0,0,0,0,0,1|2,0,1]=4 2744 B13R1.337 O=[N+]([O-])COCCc1ccccc1 34a_100000210268_100000761209 [0,0,0,0,0,1|2,0,1]=4 2745 B13R1.337 O=[N+]([O-])CSCCc1ccccc1 62a_100000765856_100000761209 [0,0,0,0,0,1|2,0,1]=4 2746 B13R1.337 O=[N+]([O-])CSCSc1ccccc1 62a_100011218342_100000761209 [0,0,0,0,0,1|1,1,1]=4 2747 B13R1.337 OB(O)/C=C/COc1ccccc1 34a_100000210340_100016262062 [0,0,0,0,0,1|1,0,2]=4 2748 B13R1.337 OB(O)/C=C/COc1ccccc1 7a_100000210340_100016262062 [0,0,0,0,0,1|1,0,2]=4 2749 B13R1.337 [13CH3]C(=O)C=CCCc1ccccc1 1458a_100016484021_200025704644 [0,0,0,0,0,1|2,0,1]=4 2750 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,0,0,0,0,1|2,0,0]=3 2751 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,0,0,0,0,1|1,0,0]=2 2752 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,0,0,0,0,1|1,1,0]=3 2753 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,0,0,0,0,1|1,0,0]=2 2754 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,0,0,0,0,1|1,1,0]=3 2755 B13R1.337 [13CH3]C(=O)CCSCc1ccccn1 1458a_100000742633_200025704644 [0,0,0,0,0,1|2,1,0]=4 2756 B13R1.337 [13CH3]C(=O)CCSSc1ccccn1 1458a_100000068049_200025704644 [0,0,0,0,0,1|2,1,0]=4 2757 B10R0.77 C=CC(C=C)OCCC(=O)N 34a_100000033096_100000731001 [1,0,1,0,0,0|1,0,1]=4 2758 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [2,0,0,0,0,0|0,0,2]=4 2759 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [2,0,0,0,0,0|0,0,2]=4 2760 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [2,0,0,0,0,0|1,0,1]=4 2761 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [2,0,0,0,0,0|0,0,1]=3 2762 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [2,0,0,0,0,0|0,0,1]=3 2763 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [2,0,0,0,0,0|1,0,1]=4 2764 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [2,0,0,0,0,0|1,0,1]=4 2765 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [2,0,0,0,0,0|1,0,1]=4 2766 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [2,0,0,0,0,0|0,1,1]=4 2767 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [2,0,0,0,0,0|0,1,1]=4 2768 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|1,0,1]=4 2769 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|1,0,1]=4 2770 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|0,0,1]=3 2771 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|0,0,1]=3 2772 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [2,0,0,0,0,0|1,0,1]=4 2773 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [2,0,0,0,0,0|1,0,1]=4 2774 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [2,0,0,0,0,0|1,0,1]=4 2775 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|0,1,1]=4 2776 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|0,1,1]=4 2777 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|2,0,0]=4 2778 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|2,0,0]=4 2779 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|2,0,0]=4 2780 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|2,0,0]=4 2781 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|2,0,0]=4 2782 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|2,0,0]=4 2783 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|2,0,0]=4 2784 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|2,0,0]=4 2785 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|2,0,0]=4 2786 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|2,0,0]=4 2787 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [2,0,0,0,0,0|1,0,1]=4 2788 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [2,0,0,0,0,0|2,0,0]=4 2789 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [2,0,0,0,0,0|1,0,0]=3 2790 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [2,0,0,0,0,0|1,0,0]=3 2791 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [2,0,0,0,0,0|2,0,0]=4 2792 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [2,0,0,0,0,0|2,0,0]=4 2793 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [2,0,0,0,0,0|2,0,0]=4 2794 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [2,0,0,0,0,0|1,1,0]=4 2795 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [2,0,0,0,0,0|1,1,0]=4 2796 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [2,0,0,0,0,0|1,0,1]=4 2797 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,0]=3 2798 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|0,0,0]=2 2799 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|0,0,0]=2 2800 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [2,0,0,0,0,0|1,0,0]=3 2801 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [2,0,0,0,0,0|1,0,0]=3 2802 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [2,0,0,0,0,0|1,0,0]=3 2803 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [2,0,0,0,0,0|2,0,0]=4 2804 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [2,0,0,0,0,0|2,0,0]=4 2805 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|0,1,0]=3 2806 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|0,1,0]=3 2807 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [2,0,0,0,0,0|1,1,0]=4 2808 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [2,0,0,0,0,0|1,1,0]=4 2809 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [2,0,0,0,0,0|1,1,0]=4 2810 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [2,0,0,0,0,0|1,1,0]=4 2811 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [2,0,0,0,0,0|1,1,0]=4 2812 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [2,0,0,0,0,0|1,1,0]=4 2813 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [2,0,0,0,0,0|1,0,0]=3 2814 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [2,0,0,0,0,0|0,0,0]=2 2815 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [2,0,0,0,0,0|0,0,0]=2 2816 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [2,0,0,0,0,0|1,0,0]=3 2817 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [2,0,0,0,0,0|1,0,0]=3 2818 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [2,0,0,0,0,0|1,0,0]=3 2819 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [2,0,0,0,0,0|2,0,0]=4 2820 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [2,0,0,0,0,0|2,0,0]=4 2821 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [2,0,0,0,0,0|0,1,0]=3 2822 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [2,0,0,0,0,0|0,1,0]=3 2823 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [2,0,0,0,0,0|1,1,0]=4 2824 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [2,0,0,0,0,0|1,1,0]=4 2825 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [2,0,0,0,0,0|1,1,0]=4 2826 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [2,0,0,0,0,0|1,1,0]=4 2827 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [2,0,0,0,0,0|1,1,0]=4 2828 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [2,0,0,0,0,0|1,1,0]=4 2829 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|2,0,0]=4 2830 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|2,0,0]=4 2831 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|2,0,0]=4 2832 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|2,0,0]=4 2833 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|2,0,0]=4 2834 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|2,0,0]=4 2835 B12R0.229 C=CCC(C=C)OCCC(=O)OC 34a_100000038011_100000742370 [0,1,1,0,0,0|0,0,2]=4 2836 B12R0.229 C=CCC(C=C)OCCC(=O)OC 7a_100000038011_100000204255 [0,1,1,0,0,0|0,0,2]=4 2837 B12R0.102 C=CC=CC(=O)CCCC(=O)OC 1458a_100016291481_100011218270 [0,1,1,0,0,0|2,0,0]=4 2838 B12R0.248 C/C=C/C=C/COCCC(=O)OC 34a_100016283227_100000742370 [0,1,1,0,0,0|0,0,2]=4 2839 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [1,1,0,0,0,0|1,0,1]=4 2840 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [1,1,0,0,0,0|1,0,1]=4 2841 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [1,1,0,0,0,0|1,0,1]=4 2842 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [1,1,0,0,0,0|1,0,1]=4 2843 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [1,1,0,0,0,0|1,0,1]=4 2844 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [1,1,0,0,0,0|1,0,1]=4 2845 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [1,1,0,0,0,0|1,0,1]=4 2846 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [1,1,0,0,0,0|1,0,1]=4 2847 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [1,1,0,0,0,0|1,0,1]=4 2848 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [1,1,0,0,0,0|1,0,1]=4 2849 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [1,1,0,0,0,0|1,0,1]=4 2850 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [1,1,0,0,0,0|1,0,1]=4 2851 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [1,1,0,0,0,0|1,0,1]=4 2852 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [1,1,0,0,0,0|1,0,1]=4 2853 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [1,1,0,0,0,0|1,0,1]=4 2854 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [1,1,0,0,0,0|1,0,1]=4 2855 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [1,1,0,0,0,0|1,0,1]=4 2856 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [1,1,0,0,0,0|1,0,1]=4 2857 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [1,1,0,0,0,0|1,0,1]=4 2858 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [1,1,0,0,0,0|1,0,1]=4 2859 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [1,1,0,0,0,0|2,0,0]=4 2861 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [1,1,0,0,0,0|2,0,0]=4 2862 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [1,1,0,0,0,0|2,0,0]=4 2863 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [1,1,0,0,0,0|2,0,0]=4 2864 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [1,1,0,0,0,0|2,0,0]=4 2865 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [1,1,0,0,0,0|2,0,0]=4 2866 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [1,1,0,0,0,0|2,0,0]=4 2867 B12R1.1 C=CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000754431 [1,1,0,0,0,0|2,0,0]=4 2868 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [1,1,0,0,0,0|1,0,0]=3 2869 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [1,1,0,0,0,0|1,0,0]=3 2870 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [1,1,0,0,0,0|1,0,0]=3 2871 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [1,1,0,0,0,0|1,0,0]=3 2872 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [1,1,0,0,0,0|1,0,0]=3 2873 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [1,1,0,0,0,0|1,0,0]=3 2874 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [1,1,0,0,0,0|1,0,0]=3 2875 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [1,1,0,0,0,0|1,0,0]=3 2876 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [1,1,0,0,0,0|1,0,0]=3 2877 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [1,1,0,0,0,0|1,0,0]=3 2878 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [1,1,0,0,0,0|1,0,0]=3 2879 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [1,1,0,0,0,0|2,0,0]=4 2880 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [1,1,0,0,0,0|2,0,0]=4 2881 B12R1.1 C=CCCOc1ccc(cn1)F 34a_100000742473_100000754431 [1,1,0,0,0,0|2,0,0]=4 2882 B12R1.1 C=CCCOc1ccc(cn1)N 34a_100000729260_100000754431 [1,1,0,0,0,0|2,0,0]=4 2883 B12R1.1 C=CCCOc1ccc(nc1)Br 34a_100000685995_100000754431 [1,1,0,0,0,0|2,0,0]=4 2884 B12R1.1 C=CCCOc1ccc(nc1)Br 7a_100000685995_100000754431 [1,1,0,0,0,0|2,0,0]=4 2885 B12R1.1 C=CCCOc1ccc(nc1)C 34a_100000745506_100000754431 [1,1,0,0,0,0|2,0,0]=4 2886 B12R1.1 C=CCCOc1ccc(nc1)C 7a_100000745506_100000754431 [1,1,0,0,0,0|2,0,0]=4 2887 B12R1.1 C=CCCOc1ccc(nc1)Cl 34a_100000744096_100000754431 [1,1,0,0,0,0|2,0,0]=4 2888 B12R1.1 C=CCCOc1ccc(nc1)Cl 7a_100000744096_100000754431 [1,1,0,0,0,0|2,0,0]=4 2889 B12R1.1 C=CCCOc1ccc(nc1)F 34a_100000688820_100000754431 [1,1,0,0,0,0|2,0,0]=4 2890 B12R1.1 C=CCCOc1ccc(nc1)F 7a_100000688820_100000754431 [1,1,0,0,0,0|2,0,0]=4 2891 B12R1.1 C=CCCOc1ccc(nc1)I 34a_100000687607_100000754431 [1,1,0,0,0,0|2,0,0]=4 2892 B12R1.1 C=CCCOc1ccc(nc1)I 7a_100000687607_100000754431 [1,1,0,0,0,0|2,0,0]=4 2893 B12R1.1 C=CCCOc1ccc(nc1)N 34a_100015188713_100000754431 [1,1,0,0,0,0|2,0,0]=4 2894 B12R1.1 C=CCCOc1ccc(nc1)N 7a_100015188713_100000754431 [1,1,0,0,0,0|2,0,0]=4 2895 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [1,1,0,0,0,0|1,1,0]=4 2896 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [1,1,0,0,0,0|1,1,0]=4 2897 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [1,1,0,0,0,0|1,1,0]=4 2898 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [1,1,0,0,0,0|1,1,0]=4 2899 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [1,1,0,0,0,0|1,1,0]=4 2900 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [1,1,0,0,0,0|1,1,0]=4 2901 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [1,1,0,0,0,0|1,1,0]=4 2902 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [1,1,0,0,0,0|1,1,0]=4 2903 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [1,1,0,0,0,0|1,1,0]=4 2904 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [1,1,0,0,0,0|1,1,0]=4 2905 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [1,1,0,0,0,0|1,1,0]=4 2906 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [1,1,0,0,0,0|1,0,1]=4 2907 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [1,1,0,0,0,0|1,0,1]=4 2908 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [1,1,0,0,0,0|1,0,1]=4 2909 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [1,1,0,0,0,0|1,0,1]=4 2910 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [1,1,0,0,0,0|1,0,1]=4 2911 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [1,1,0,0,0,0|1,0,1]=4 2912 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [1,1,0,0,0,0|1,0,1]=4 2913 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [1,1,0,0,0,0|1,0,1]=4 2914 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [1,1,0,0,0,0|1,0,1]=4 2915 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [1,1,0,0,0,0|1,0,1]=4 2916 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [1,1,0,0,0,0|1,0,1]=4 2917 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [1,1,0,0,0,0|1,0,1]=4 2918 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [1,1,0,0,0,0|1,0,1]=4 2919 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [1,1,0,0,0,0|1,0,1]=4 2920 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [1,1,0,0,0,0|1,0,1]=4 2921 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [1,1,0,0,0,0|1,0,1]=4 2922 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [1,1,0,0,0,0|1,0,1]=4 2923 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [1,1,0,0,0,0|1,0,1]=4 2924 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [1,1,0,0,0,0|1,0,1]=4 2925 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [1,1,0,0,0,0|1,0,1]=4 2926 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [1,1,0,0,0,0|1,0,1]=4 2927 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [1,1,0,0,0,0|2,0,0]=4 2928 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [1,1,0,0,0,0|2,0,0]=4 2929 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [1,1,0,0,0,0|2,0,0]=4 2930 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [1,1,0,0,0,0|2,0,0]=4 2931 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [1,1,0,0,0,0|2,0,0]=4 2932 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [1,1,0,0,0,0|2,0,0]=4 2933 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [1,1,0,0,0,0|2,0,0]=4 2934 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [1,1,0,0,0,0|2,0,0]=4 2935 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [1,1,0,0,0,0|2,0,0]=4 2936 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [1,1,0,0,0,0|2,0,0]=4 2937 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [1,1,0,0,0,0|2,0,0]=4 2938 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [1,1,0,0,0,0|2,0,0]=4 2939 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [1,1,0,0,0,0|2,0,0]=4 2940 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [1,1,0,0,0,0|2,0,0]=4 2941 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [1,1,0,0,0,0|2,0,0]=4 2942 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [1,1,0,0,0,0|2,0,0]=4 2943 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [1,1,0,0,0,0|2,0,0]=4 2944 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [1,1,0,0,0,0|2,0,0]=4 2945 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [1,1,0,0,0,0|2,0,0]=4 2946 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [1,1,0,0,0,0|2,0,0]=4 2947 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [1,1,0,0,0,0|2,0,0]=4 2948 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [1,1,0,0,0,0|2,0,0]=4 2949 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [1,1,0,0,0,0|2,0,0]=4 2950 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [1,1,0,0,0,0|2,0,0]=4 2951 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [1,1,0,0,0,0|2,0,0]=4 2952 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [1,1,0,0,0,0|2,0,0]=4 2953 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [1,1,0,0,0,0|2,0,0]=4 2954 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [1,1,0,0,0,0|2,0,0]=4 2955 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [1,1,0,0,0,0|2,0,0]=4 2956 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [1,1,0,0,0,0|2,0,0]=4 2957 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [1,1,0,0,0,0|2,0,0]=4 2958 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2959 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [1,1,0,0,0,0|2,0,0]=4 2960 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [1,1,0,0,0,0|2,0,0]=4 2961 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2962 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [1,1,0,0,0,0|2,0,0]=4 2963 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [1,1,0,0,0,0|2,0,0]=4 2964 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [1,1,0,0,0,0|2,0,0]=4 2965 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [1,1,0,0,0,0|2,0,0]=4 2966 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [1,1,0,0,0,0|2,0,0]=4 2967 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [1,1,0,0,0,0|2,0,0]=4 2968 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [1,1,0,0,0,0|2,0,0]=4 2969 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [1,1,0,0,0,0|2,0,0]=4 2970 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [1,1,0,0,0,0|2,0,0]=4 2971 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [1,1,0,0,0,0|2,0,0]=4 2972 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [1,1,0,0,0,0|2,0,0]=4 2973 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [1,1,0,0,0,0|2,0,0]=4 2974 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [1,1,0,0,0,0|2,0,0]=4 2975 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [1,1,0,0,0,0|2,0,0]=4 2976 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [1,1,0,0,0,0|2,0,0]=4 2977 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [1,1,0,0,0,0|2,0,0]=4 2978 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [1,1,0,0,0,0|2,0,0]=4 2979 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [1,1,0,0,0,0|2,0,0]=4 2980 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [1,1,0,0,0,0|2,0,0]=4 2981 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [1,1,0,0,0,0|2,0,0]=4 2982 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [1,1,0,0,0,0|2,0,0]=4 2983 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [1,1,0,0,0,0|2,0,0]=4 2984 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [1,1,0,0,0,0|2,0,0]=4 2985 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [1,1,0,0,0,0|2,0,0]=4 2986 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [1,1,0,0,0,0|2,0,0]=4 2987 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [1,1,0,0,0,0|2,0,0]=4 2988 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [1,1,0,0,0,0|2,0,0]=4 2989 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [1,1,0,0,0,0|2,0,0]=4 2990 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [1,1,0,0,0,0|2,0,0]=4 2991 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [1,1,0,0,0,0|2,0,0]=4 2992 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [1,1,0,0,0,0|2,0,0]=4 2993 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [1,1,0,0,0,0|1,0,1]=4 2994 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [1,1,0,0,0,0|1,0,1]=4 2995 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [1,1,0,0,0,0|1,0,1]=4 2996 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [1,1,0,0,0,0|1,0,1]=4 2997 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [1,1,0,0,0,0|0,0,1]=3 2998 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [1,1,0,0,0,0|0,0,1]=3 2999 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [1,1,0,0,0,0|2,0,0]=4 3000 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [1,1,0,0,0,0|2,0,0]=4 3001 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3002 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3003 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [1,1,0,0,0,0|2,0,0]=4 3004 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [1,1,0,0,0,0|2,0,0]=4 3005 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [1,1,0,0,0,0|0,1,1]=4 3006 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [1,1,0,0,0,0|0,1,1]=4 3007 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [1,1,0,0,0,0|1,0,1]=4 3008 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [1,1,0,0,0,0|1,0,1]=4 3009 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [1,1,0,0,0,0|1,0,1]=4 3010 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [1,1,0,0,0,0|1,0,1]=4 3011 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [1,1,0,0,0,0|1,0,1]=4 3012 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [1,1,0,0,0,0|1,0,1]=4 3013 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [1,1,0,0,0,0|1,0,1]=4 3014 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [1,1,0,0,0,0|1,0,1]=4 3015 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [1,1,0,0,0,0|1,0,1]=4 3016 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [1,1,0,0,0,0|1,0,1]=4 3017 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [1,1,0,0,0,0|1,0,1]=4 3018 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [1,1,0,0,0,0|1,0,1]=4 3019 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [1,1,0,0,0,0|1,0,1]=4 3020 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [1,1,0,0,0,0|1,0,1]=4 3021 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [1,1,0,0,0,0|2,0,0]=4 3022 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [1,1,0,0,0,0|1,0,1]=4 3023 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [1,1,0,0,0,0|0,0,1]=3 3024 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [1,1,0,0,0,0|0,1,1]=4 3025 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [1,1,0,0,0,0|0,1,1]=4 3026 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [1,1,0,0,0,0|1,0,1]=4 3027 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [1,1,0,0,0,0|1,0,1]=4 3028 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [1,1,0,0,0,0|1,0,1]=4 3029 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [1,1,0,0,0,0|2,0,0]=4 3030 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [1,1,0,0,0,0|2,0,0]=4 3031 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [1,1,0,0,0,0|2,0,0]=4 3032 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [1,1,0,0,0,0|2,0,0]=4 3033 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [1,1,0,0,0,0|2,0,0]=4 3034 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [1,1,0,0,0,0|2,0,0]=4 3037 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [1,1,0,0,0,0|2,0,0]=4 3042 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [1,1,0,0,0,0|2,0,0]=4 3044 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [1,1,0,0,0,0|2,0,0]=4 3045 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [1,1,0,0,0,0|2,0,0]=4 3046 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [1,1,0,0,0,0|2,0,0]=4 3047 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [1,1,0,0,0,0|2,0,0]=4 3048 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [1,1,0,0,0,0|2,0,0]=4 3049 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [1,1,0,0,0,0|2,0,0]=4 3051 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [1,1,0,0,0,0|2,0,0]=4 3052 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [1,1,0,0,0,0|2,0,0]=4 3053 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [1,1,0,0,0,0|2,0,0]=4 3054 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [1,1,0,0,0,0|1,0,1]=4 3055 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [1,1,0,0,0,0|1,0,1]=4 3056 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [1,1,0,0,0,0|1,0,1]=4 3057 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [1,1,0,0,0,0|1,0,1]=4 3058 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [1,1,0,0,0,0|1,0,1]=4 3059 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [1,1,0,0,0,0|1,0,1]=4 3060 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [1,1,0,0,0,0|1,0,1]=4 3061 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [1,1,0,0,0,0|1,0,1]=4 3062 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [1,1,0,0,0,0|0,0,1]=3 3063 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [1,1,0,0,0,0|0,0,1]=3 3064 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [1,1,0,0,0,0|0,0,1]=3 3065 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [1,1,0,0,0,0|0,0,1]=3 3066 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [1,1,0,0,0,0|0,0,1]=3 3067 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [1,1,0,0,0,0|0,0,1]=3 3068 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [1,1,0,0,0,0|0,0,1]=3 3069 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [1,1,0,0,0,0|0,0,1]=3 3070 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [1,1,0,0,0,0|1,0,1]=4 3071 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [1,1,0,0,0,0|1,0,1]=4 3072 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [1,1,0,0,0,0|1,0,1]=4 3073 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [1,1,0,0,0,0|1,0,1]=4 3074 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [1,1,0,0,0,0|1,0,1]=4 3075 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [1,1,0,0,0,0|1,0,1]=4 3076 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [1,1,0,0,0,0|1,0,1]=4 3077 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [1,1,0,0,0,0|1,0,1]=4 3078 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [1,1,0,0,0,0|1,0,1]=4 3079 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [1,1,0,0,0,0|1,0,1]=4 3080 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [1,1,0,0,0,0|0,1,1]=4 3081 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [1,1,0,0,0,0|0,1,1]=4 3082 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [1,1,0,0,0,0|0,1,1]=4 3083 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [1,1,0,0,0,0|0,1,1]=4 3084 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [1,1,0,0,0,0|0,1,1]=4 3085 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [1,1,0,0,0,0|0,1,1]=4 3086 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [1,1,0,0,0,0|0,1,1]=4 3087 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [1,1,0,0,0,0|2,0,0]=4 3088 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [1,1,0,0,0,0|2,0,0]=4 3089 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [1,1,0,0,0,0|2,0,0]=4 3090 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [1,1,0,0,0,0|2,0,0]=4 3091 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [1,1,0,0,0,0|2,0,0]=4 3092 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [1,1,0,0,0,0|2,0,0]=4 3093 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [1,1,0,0,0,0|2,0,0]=4 3094 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [1,1,0,0,0,0|2,0,0]=4 3095 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [1,1,0,0,0,0|2,0,0]=4 3096 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [1,1,0,0,0,0|2,0,0]=4 3097 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [1,1,0,0,0,0|2,0,0]=4 3098 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [1,1,0,0,0,0|2,0,0]=4 3099 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [1,1,0,0,0,0|2,0,0]=4 3100 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [1,1,0,0,0,0|2,0,0]=4 3102 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [1,1,0,0,0,0|2,0,0]=4 3103 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [1,1,0,0,0,0|1,0,1]=4 3105 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [1,1,0,0,0,0|1,0,1]=4 3106 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [1,1,0,0,0,0|1,0,1]=4 3107 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [1,1,0,0,0,0|1,0,1]=4 3108 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [1,1,0,0,0,0|1,0,1]=4 3109 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [1,1,0,0,0,0|1,0,1]=4 3110 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [1,1,0,0,0,0|1,0,1]=4 3111 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [1,1,0,0,0,0|1,0,1]=4 3112 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [1,1,0,0,0,0|1,0,1]=4 3113 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [1,1,0,0,0,0|2,0,0]=4 3114 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [1,1,0,0,0,0|1,0,0]=3 3115 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [1,1,0,0,0,0|1,0,0]=3 3116 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [1,1,0,0,0,0|2,0,0]=4 3117 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [1,1,0,0,0,0|2,0,0]=4 3118 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [1,1,0,0,0,0|2,0,0]=4 3119 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [1,1,0,0,0,0|1,1,0]=4 3120 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [1,1,0,0,0,0|1,1,0]=4 3121 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [1,1,0,0,0,0|2,0,0]=4 3122 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [1,1,0,0,0,0|2,0,0]=4 3123 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [1,1,0,0,0,0|2,0,0]=4 3124 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [1,1,0,0,0,0|2,0,0]=4 3125 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [1,1,0,0,0,0|2,0,0]=4 3126 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [1,1,0,0,0,0|1,0,0]=3 3127 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [1,1,0,0,0,0|1,0,0]=3 3128 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [1,1,0,0,0,0|1,0,0]=3 3129 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [1,1,0,0,0,0|1,1,0]=4 3132 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [1,1,0,0,0,0|1,1,0]=4 3133 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [1,1,0,0,0,0|1,1,0]=4 3137 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [1,1,0,0,0,0|1,1,0]=4 3143 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [1,1,0,0,0,0|1,1,0]=4 3144 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [1,1,0,0,0,0|2,0,0]=4 3145 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [1,1,0,0,0,0|1,0,0]=3 3146 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [1,1,0,0,0,0|1,0,0]=3 3147 B12R1.8 C=COCCOc1cccnc1 34a_100000210849_100000039644 [1,1,0,0,0,0|2,0,0]=4 3148 B12R1.8 C=COCCOc1cccnc1 7a_100000210849_100000039644 [1,1,0,0,0,0|2,0,0]=4 3149 B12R1.8 C=COCCOc1ccncc1 34a_100000212176_100000039644 [1,1,0,0,0,0|2,0,0]=4 3150 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [1,1,0,0,0,0|1,1,0]=4 3151 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [1,1,0,0,0,0|1,1,0]=4 3152 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [1,1,0,0,0,0|1,0,1]=4 3153 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [1,1,0,0,0,0|1,0,1]=4 3154 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [1,1,0,0,0,0|1,0,1]=4 3155 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [1,1,0,0,0,0|1,0,1]=4 3156 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [1,1,0,0,0,0|1,0,1]=4 3157 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [1,1,0,0,0,0|1,0,1]=4 3158 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [1,1,0,0,0,0|1,0,1]=4 3159 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [1,1,0,0,0,0|1,0,1]=4 3160 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [1,1,0,0,0,0|1,0,1]=4 3161 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [1,1,0,0,0,0|1,0,1]=4 3162 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [1,1,0,0,0,0|1,0,1]=4 3163 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [1,1,0,0,0,0|1,0,1]=4 3164 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [1,1,0,0,0,0|1,0,1]=4 3165 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [1,1,0,0,0,0|1,0,1]=4 3166 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [1,1,0,0,0,0|1,0,1]=4 3167 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [1,1,0,0,0,0|1,0,1]=4 3168 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [1,1,0,0,0,0|1,0,1]=4 3169 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [1,1,0,0,0,0|1,0,1]=4 3170 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [1,1,0,0,0,0|1,0,1]=4 3171 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [1,1,0,0,0,0|1,0,1]=4 3172 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [1,1,0,0,0,0|1,0,1]=4 3173 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [1,1,0,0,0,0|1,0,1]=4 3174 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [1,1,0,0,0,0|1,0,1]=4 3175 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [1,1,0,0,0,0|1,0,1]=4 3176 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [1,1,0,0,0,0|1,0,1]=4 3177 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [1,1,0,0,0,0|1,0,1]=4 3178 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [1,1,0,0,0,0|1,0,1]=4 3179 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [1,1,0,0,0,0|1,0,1]=4 3180 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [1,1,0,0,0,0|2,0,0]=4 3181 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [1,1,0,0,0,0|2,0,0]=4 3182 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [1,1,0,0,0,0|2,0,0]=4 3183 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [1,1,0,0,0,0|2,0,0]=4 3184 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [1,1,0,0,0,0|2,0,0]=4 3185 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3186 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [1,1,0,0,0,0|1,0,1]=4 3187 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3188 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [1,1,0,0,0,0|1,0,1]=4 3189 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [1,1,0,0,0,0|1,0,1]=4 3190 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [1,1,0,0,0,0|0,0,1]=3 3191 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [1,1,0,0,0,0|0,0,1]=3 3192 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [1,1,0,0,0,0|0,0,1]=3 3193 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [1,1,0,0,0,0|0,0,1]=3 3194 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [1,1,0,0,0,0|0,0,1]=3 3195 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [1,1,0,0,0,0|1,0,1]=4 3196 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [1,1,0,0,0,0|1,0,1]=4 3197 B12R1.8 COCCCOc1ccncc1 34a_100000212176_100000740836 [1,1,0,0,0,0|1,0,1]=4 3198 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [1,1,0,0,0,0|0,1,1]=4 3199 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [1,1,0,0,0,0|0,1,1]=4 3200 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [1,1,0,0,0,0|0,1,1]=4 3201 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [1,1,0,0,0,0|2,0,0]=4 3202 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [1,1,0,0,0,0|2,0,0]=4 3203 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [1,1,0,0,0,0|2,0,0]=4 3206 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [1,1,0,0,0,0|2,0,0]=4 3207 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [1,1,0,0,0,0|0,1,1]=4 3208 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [1,1,0,0,0,0|0,1,1]=4 3209 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [1,1,0,0,0,0|2,0,0]=4 3210 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [1,1,0,0,0,0|2,0,0]=4 3211 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [1,1,0,0,0,0|2,0,0]=4 3212 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [1,1,0,0,0,0|2,0,0]=4 3213 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [1,1,0,0,0,0|2,0,0]=4 3214 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [1,1,0,0,0,0|2,0,0]=4 3215 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [1,1,0,0,0,0|1,0,1]=4 3216 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [1,1,0,0,0,0|1,0,1]=4 3217 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [1,1,0,0,0,0|1,0,1]=4 3218 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [1,1,0,0,0,0|1,0,1]=4 3219 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [1,1,0,0,0,0|1,0,1]=4 3220 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [1,1,0,0,0,0|1,0,1]=4 3221 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [1,1,0,0,0,0|1,0,1]=4 3222 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [1,1,0,0,0,0|1,0,1]=4 3223 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [1,1,0,0,0,0|1,0,1]=4 3224 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [1,1,0,0,0,0|1,0,1]=4 3225 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [1,1,0,0,0,0|1,0,1]=4 3226 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [1,1,0,0,0,0|1,0,1]=4 3227 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [1,1,0,0,0,0|1,0,1]=4 3228 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [1,1,0,0,0,0|1,0,1]=4 3229 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [1,1,0,0,0,0|0,0,0]=2 3231 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [1,1,0,0,0,0|1,0,0]=3 3232 B12R1.8 O=CCCCOc1cncnc1 7a_100000754086_200011292268 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [1,1,0,0,0,0|0,1,0]=3 3234 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [1,1,0,0,0,0|0,1,0]=3 3235 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [1,1,0,0,0,0|1,1,0]=4 3236 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [1,1,0,0,0,0|1,1,0]=4 3237 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [1,1,0,0,0,0|1,1,0]=4 3238 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [1,1,0,0,0,0|1,1,0]=4 3239 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [1,1,0,0,0,0|1,1,0]=4 3240 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [1,1,0,0,0,0|1,1,0]=4 3241 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [1,1,0,0,0,0|1,0,0]=3 3242 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [1,1,0,0,0,0|1,0,0]=3 3243 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [1,1,0,0,0,0|2,0,0]=4 3244 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [1,1,0,0,0,0|1,0,0]=3 3245 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [1,1,0,0,0,0|1,0,0]=3 3246 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [1,1,0,0,0,0|2,0,0]=4 3247 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [1,1,0,0,0,0|2,0,0]=4 3248 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [1,1,0,0,0,0|1,0,0]=3 3250 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [1,1,0,0,0,0|1,0,0]=3 3251 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [1,1,0,0,0,0|2,0,0]=4 3252 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [1,1,0,0,0,0|2,0,0]=4 3255 B12R1.8 O=CCSCCc1ccncc1 62a_100000723409_200015260668 [1,1,0,0,0,0|2,0,0]=4 3256 B12R1.8 O=CCSCCc1ccncc1 62a_200015260668_100000723409 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [1,1,0,0,0,0|0,1,0]=3 3258 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [1,1,0,0,0,0|0,1,0]=3 3259 B12R1.8 OCC#CCOc1ccccc1 34a_100000210340_200000047223 [1,1,0,0,0,0|0,0,2]=4 3260 B12R1.8 OCC#CCOc1ccccc1 7a_100000210340_200000047223 [1,1,0,0,0,0|0,0,2]=4 3261 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [1,1,0,0,0,0|1,0,1]=4 3262 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [1,1,0,0,0,0|0,0,1]=3 3263 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [1,1,0,0,0,0|0,0,1]=3 3264 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [1,1,0,0,0,0|1,0,1]=4 3265 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [1,1,0,0,0,0|1,0,1]=4 3266 B12R1.8 OCCCCOc1ccncc1 34a_100000212176_100011216708 [1,1,0,0,0,0|1,0,1]=4 3267 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [1,1,0,0,0,0|0,1,1]=4 3268 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [1,1,0,0,0,0|0,1,1]=4 3269 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [1,1,0,0,0,0|1,0,1]=4 3270 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [1,1,0,0,0,0|1,0,1]=4 3271 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [1,1,0,0,0,0|1,0,1]=4 3272 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [1,1,0,0,0,0|1,0,1]=4 3273 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [1,1,0,0,0,0|0,0,1]=3 3274 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [1,1,0,0,0,0|0,0,1]=3 3275 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [1,1,0,0,0,0|0,1,1]=4 3276 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [1,1,0,0,0,0|0,1,1]=4 3277 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [1,1,0,0,0,0|1,0,1]=4 3278 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [1,1,0,0,0,0|1,0,1]=4 3279 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [1,1,0,0,0,0|1,0,1]=4 3280 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [1,1,0,0,0,0|1,0,1]=4 3281 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [1,1,0,0,0,0|0,1,1]=4 3282 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [1,1,0,0,0,0|1,0,1]=4 3283 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [1,1,0,0,0,0|1,0,1]=4 3284 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [1,1,0,0,0,0|1,0,1]=4 3285 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [1,1,0,0,0,0|1,0,1]=4 3286 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [1,1,0,0,0,0|0,1,1]=4 3287 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [1,1,0,0,0,0|0,1,1]=4 3288 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [1,1,0,0,0,0|1,0,1]=4 3289 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [1,1,0,0,0,0|1,0,1]=4 3290 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [1,1,0,0,0,0|2,0,0]=4 3291 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [1,1,0,0,0,0|2,0,0]=4 3292 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3293 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3294 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [1,1,0,0,0,0|1,0,1]=4 3295 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [1,1,0,0,0,0|0,0,1]=3 3296 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [1,1,0,0,0,0|0,0,1]=3 3297 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [1,1,0,0,0,0|2,0,0]=4 3298 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [1,1,0,0,0,0|2,0,0]=4 3299 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [1,1,0,0,0,0|0,1,1]=4 3300 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [1,1,0,0,0,0|0,1,1]=4 3301 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [1,1,0,0,0,0|2,0,0]=4 3302 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [1,1,0,0,0,0|2,0,0]=4 3303 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [1,1,0,0,0,0|2,0,0]=4 3304 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [1,1,0,0,0,0|1,0,0]=3 3305 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [1,1,0,0,0,0|1,0,0]=3 3306 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [1,1,0,0,0,0|2,0,0]=4 3307 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [1,1,0,0,0,0|2,0,0]=4 3308 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [1,1,0,0,0,0|2,0,0]=4 3309 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [1,1,0,0,0,0|1,1,0]=4 3310 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [1,1,0,0,0,0|1,1,0]=4 3311 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [1,1,0,0,0,0|2,0,0]=4 3312 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [1,1,0,0,0,0|2,0,0]=4 3313 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [1,1,0,0,0,0|2,0,0]=4 3314 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [1,1,0,0,0,0|2,0,0]=4 3315 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [1,1,0,0,0,0|1,0,1]=4 3316 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [1,1,0,0,0,0|1,0,1]=4 3317 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [1,1,0,0,0,0|1,0,1]=4 3318 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [1,1,0,0,0,0|1,0,1]=4 3319 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [1,1,0,0,0,0|1,0,1]=4 3320 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [1,1,0,0,0,0|1,0,1]=4 3321 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [1,1,0,0,0,0|2,0,0]=4 3322 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [1,1,0,0,0,0|2,0,0]=4 3323 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [1,1,0,0,0,0|2,0,0]=4 3324 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [1,1,0,0,0,0|2,0,0]=4 3325 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [1,1,0,0,0,0|2,0,0]=4 3326 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [1,1,0,0,0,0|1,0,1]=4 3327 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [1,1,0,0,0,0|0,0,1]=3 3328 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [1,1,0,0,0,0|0,0,1]=3 3329 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [1,1,0,0,0,0|1,0,1]=4 3330 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [1,1,0,0,0,0|1,0,1]=4 3331 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [1,1,0,0,0,0|1,0,1]=4 3332 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [1,1,0,0,0,0|0,1,1]=4 3333 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [1,1,0,0,0,0|0,1,1]=4 3334 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [1,1,0,0,0,0|1,0,1]=4 3335 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [1,1,0,0,0,0|0,0,1]=3 3336 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [1,1,0,0,0,0|0,0,1]=3 3337 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [1,1,0,0,0,0|1,0,1]=4 3338 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [1,1,0,0,0,0|1,0,1]=4 3339 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [1,1,0,0,0,0|1,0,1]=4 3340 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [1,1,0,0,0,0|0,1,1]=4 3341 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [1,1,0,0,0,0|0,1,1]=4 3342 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [1,1,0,0,0,0|1,0,1]=4 3343 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [1,1,0,0,0,0|0,0,1]=3 3344 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [1,1,0,0,0,0|0,0,1]=3 3345 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [1,1,0,0,0,0|1,0,1]=4 3346 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [1,1,0,0,0,0|1,0,1]=4 3347 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [1,1,0,0,0,0|1,0,1]=4 3348 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [1,1,0,0,0,0|0,1,1]=4 3349 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [1,1,0,0,0,0|0,1,1]=4 3350 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [1,1,0,0,0,0|1,0,1]=4 3351 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [1,1,0,0,0,0|1,0,1]=4 3352 B12R1.28 C#CCCOc1cccc(c1)Br 34a_100000210342_100000688953 [1,1,0,0,0,0|1,0,1]=4 3353 B12R1.28 C#CCCOc1cccc(c1)Br 7a_100000210342_100000688953 [1,1,0,0,0,0|1,0,1]=4 3354 B12R1.28 C#CCCOc1cccc(c1)C 34a_100000210337_100000688953 [1,1,0,0,0,0|1,0,1]=4 3355 B12R1.28 C#CCCOc1cccc(c1)C 7a_100000210337_100000688953 [1,1,0,0,0,0|1,0,1]=4 3356 B12R1.28 C#CCCOc1cccc(c1)Cl 34a_100000210295_100000688953 [1,1,0,0,0,0|1,0,1]=4 3357 B12R1.28 C#CCCOc1cccc(c1)Cl 7a_100000210295_100000688953 [1,1,0,0,0,0|1,0,1]=4 3358 B12R1.28 C#CCCOc1cccc(c1)F 34a_100000210426_100000688953 [1,1,0,0,0,0|1,0,1]=4 3359 B12R1.28 C#CCCOc1cccc(c1)F 7a_100000210426_100000688953 [1,1,0,0,0,0|1,0,1]=4 3360 B12R1.28 C#CCCOc1cccc(c1)I 34a_100000211634_100000688953 [1,1,0,0,0,0|1,0,1]=4 3361 B12R1.28 C#CCCOc1cccc(c1)I 7a_100000211634_100000688953 [1,1,0,0,0,0|1,0,1]=4 3362 B12R1.28 C#CCCOc1cccc(c1)N 34a_100000210217_100000688953 [1,1,0,0,0,0|1,0,1]=4 3363 B12R1.28 C/C=C/COc1cccc(c1)Br 34a_100000210342_100102629194 [1,1,0,0,0,0|1,0,1]=4 3364 B12R1.28 C/C=C/COc1cccc(c1)Br 7a_100000210342_100102629194 [1,1,0,0,0,0|1,0,1]=4 3365 B12R1.28 C/C=C/COc1cccc(c1)C 34a_100000210337_100102629194 [1,1,0,0,0,0|1,0,1]=4 3366 B12R1.28 C/C=C/COc1cccc(c1)C 7a_100000210337_100102629194 [1,1,0,0,0,0|1,0,1]=4 3367 B12R1.28 C/C=C/COc1cccc(c1)Cl 34a_100000210295_100102629194 [1,1,0,0,0,0|1,0,1]=4 3368 B12R1.28 C/C=C/COc1cccc(c1)Cl 7a_100000210295_100102629194 [1,1,0,0,0,0|1,0,1]=4 3369 B12R1.28 C/C=C/COc1cccc(c1)F 34a_100000210426_100102629194 [1,1,0,0,0,0|1,0,1]=4 3370 B12R1.28 C/C=C/COc1cccc(c1)F 7a_100000210426_100102629194 [1,1,0,0,0,0|1,0,1]=4 3371 B12R1.28 C/C=C/COc1cccc(c1)I 34a_100000211634_100102629194 [1,1,0,0,0,0|1,0,1]=4 3372 B12R1.28 C/C=C/COc1cccc(c1)I 7a_100000211634_100102629194 [1,1,0,0,0,0|1,0,1]=4 3373 B12R1.28 C/C=C/COc1cccc(c1)N 34a_100000210217_100102629194 [1,1,0,0,0,0|1,0,1]=4 3374 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [1,1,0,0,0,0|2,0,0]=4 3375 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [1,1,0,0,0,0|2,0,0]=4 3376 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [1,1,0,0,0,0|2,0,0]=4 3377 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [1,1,0,0,0,0|2,0,0]=4 3378 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [1,1,0,0,0,0|2,0,0]=4 3379 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [1,1,0,0,0,0|2,0,0]=4 3380 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [1,1,0,0,0,0|2,0,0]=4 3381 B12R1.28 C=CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000754431 [1,1,0,0,0,0|2,0,0]=4 3382 B12R1.28 C=CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000754431 [1,1,0,0,0,0|2,0,0]=4 3383 B12R1.28 C=CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000754431 [1,1,0,0,0,0|2,0,0]=4 3384 B12R1.28 C=CCCOc1cccc(=O)[nH]1 34a_100000033347_100000754431 [1,1,0,0,0,0|2,0,0]=4 3385 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [1,1,0,0,0,0|1,0,0]=3 3386 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [1,1,0,0,0,0|1,0,0]=3 3387 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [1,1,0,0,0,0|1,0,0]=3 3388 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [1,1,0,0,0,0|1,0,0]=3 3389 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [1,1,0,0,0,0|1,0,0]=3 3390 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [1,1,0,0,0,0|1,0,0]=3 3391 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [1,1,0,0,0,0|1,0,0]=3 3392 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [1,1,0,0,0,0|1,0,0]=3 3393 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [1,1,0,0,0,0|1,0,0]=3 3394 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [1,1,0,0,0,0|1,0,0]=3 3395 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [1,1,0,0,0,0|1,0,0]=3 3396 B12R1.28 C=CCCOc1cccc(n1)F 34a_100011432558_100000754431 [1,1,0,0,0,0|2,0,0]=4 3397 B12R1.28 C=CCCOc1ccnc(c1)C 34a_100000688365_100000754431 [1,1,0,0,0,0|2,0,0]=4 3398 B12R1.28 C=CCCOc1ccnc(c1)Cl 34a_100000762945_100000754431 [1,1,0,0,0,0|2,0,0]=4 3399 B12R1.28 C=CCCOc1ccnc(c1)F 34a_100000732698_100000754431 [1,1,0,0,0,0|2,0,0]=4 3400 B12R1.28 C=CCCOc1ccnc(c1)N 34a_100011834064_100000754431 [1,1,0,0,0,0|2,0,0]=4 3401 B12R1.28 C=CCCOc1cncc(c1)Br 34a_100000754920_100000754431 [1,1,0,0,0,0|2,0,0]=4 3402 B12R1.28 C=CCCOc1cncc(c1)Br 7a_100000754920_100000754431 [1,1,0,0,0,0|2,0,0]=4 3403 B12R1.28 C=CCCOc1cncc(c1)C 34a_100011830280_100000754431 [1,1,0,0,0,0|2,0,0]=4 3404 B12R1.28 C=CCCOc1cncc(c1)C 7a_100011830280_100000754431 [1,1,0,0,0,0|2,0,0]=4 3405 B12R1.28 C=CCCOc1cncc(c1)Cl 7a_100000032511_100000754431 [1,1,0,0,0,0|2,0,0]=4 3406 B12R1.28 C=CCCOc1cncc(c1)F 34a_100011830296_100000754431 [1,1,0,0,0,0|2,0,0]=4 3407 B12R1.28 C=CCCOc1cncc(c1)F 7a_100011830296_100000754431 [1,1,0,0,0,0|2,0,0]=4 3408 B12R1.28 C=CCCOc1cncc(c1)N 34a_100011997051_100000754431 [1,1,0,0,0,0|2,0,0]=4 3409 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [1,1,0,0,0,0|1,1,0]=4 3410 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [1,1,0,0,0,0|1,1,0]=4 3411 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [1,1,0,0,0,0|1,1,0]=4 3412 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [1,1,0,0,0,0|1,1,0]=4 3413 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [1,1,0,0,0,0|1,1,0]=4 3414 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [1,1,0,0,0,0|1,1,0]=4 3415 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [1,1,0,0,0,0|1,1,0]=4 3416 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [1,1,0,0,0,0|1,1,0]=4 3417 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [1,1,0,0,0,0|1,1,0]=4 3418 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [1,1,0,0,0,0|1,1,0]=4 3419 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [1,1,0,0,0,0|1,1,0]=4 3420 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [1,1,0,0,0,0|1,1,0]=4 3421 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [1,1,0,0,0,0|1,1,0]=4 3422 B12R1.28 CC=CCOc1cccc(c1)Br 34a_100000210342_100000070051 [1,1,0,0,0,0|1,0,1]=4 3423 B12R1.28 CC=CCOc1cccc(c1)Br 7a_100000210342_100000070051 [1,1,0,0,0,0|1,0,1]=4 3424 B12R1.28 CC=CCOc1cccc(c1)C 34a_100000210337_100000070051 [1,1,0,0,0,0|1,0,1]=4 3425 B12R1.28 CC=CCOc1cccc(c1)C 7a_100000210337_100000070051 [1,1,0,0,0,0|1,0,1]=4 3426 B12R1.28 CC=CCOc1cccc(c1)Cl 34a_100000210295_100000070051 [1,1,0,0,0,0|1,0,1]=4 3427 B12R1.28 CC=CCOc1cccc(c1)Cl 7a_100000210295_100000070051 [1,1,0,0,0,0|1,0,1]=4 3428 B12R1.28 CC=CCOc1cccc(c1)F 34a_100000210426_100000070051 [1,1,0,0,0,0|1,0,1]=4 3429 B12R1.28 CC=CCOc1cccc(c1)F 7a_100000210426_100000070051 [1,1,0,0,0,0|1,0,1]=4 3430 B12R1.28 CC=CCOc1cccc(c1)I 34a_100000211634_100000070051 [1,1,0,0,0,0|1,0,1]=4 3431 B12R1.28 CC=CCOc1cccc(c1)I 7a_100000211634_100000070051 [1,1,0,0,0,0|1,0,1]=4 3432 B12R1.28 CC=CCOc1cccc(c1)N 34a_100000210217_100000070051 [1,1,0,0,0,0|1,0,1]=4 3433 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [1,1,0,0,0,0|1,0,1]=4 3434 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [1,1,0,0,0,0|1,0,1]=4 3435 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [1,1,0,0,0,0|1,0,1]=4 3436 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [1,1,0,0,0,0|1,0,1]=4 3437 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [1,1,0,0,0,0|1,0,1]=4 3438 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [1,1,0,0,0,0|1,0,1]=4 3439 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [1,1,0,0,0,0|1,0,1]=4 3440 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [1,1,0,0,0,0|1,0,1]=4 3441 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [1,1,0,0,0,0|1,0,1]=4 3442 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [1,1,0,0,0,0|1,0,1]=4 3443 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [1,1,0,0,0,0|1,0,1]=4 3444 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [1,1,0,0,0,0|1,0,1]=4 3445 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3446 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [1,1,0,0,0,0|2,0,0]=4 3447 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3448 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [1,1,0,0,0,0|2,0,0]=4 3452 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [1,1,0,0,0,0|2,0,0]=4 3453 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [1,1,0,0,0,0|2,0,0]=4 3454 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [1,1,0,0,0,0|2,0,0]=4 3455 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [1,1,0,0,0,0|2,0,0]=4 3456 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [1,1,0,0,0,0|2,0,0]=4 3457 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [1,1,0,0,0,0|2,0,0]=4 3458 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [1,1,0,0,0,0|2,0,0]=4 3459 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [1,1,0,0,0,0|2,0,0]=4 3460 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [1,1,0,0,0,0|2,0,0]=4 3461 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [1,1,0,0,0,0|2,0,0]=4 3462 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [1,1,0,0,0,0|2,0,0]=4 3463 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [1,1,0,0,0,0|2,0,0]=4 3464 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [1,1,0,0,0,0|2,0,0]=4 3465 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [1,1,0,0,0,0|2,0,0]=4 3466 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [1,1,0,0,0,0|2,0,0]=4 3467 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [1,1,0,0,0,0|2,0,0]=4 3468 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [1,1,0,0,0,0|2,0,0]=4 3469 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [1,1,0,0,0,0|2,0,0]=4 3470 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [1,1,0,0,0,0|2,0,0]=4 3471 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [1,1,0,0,0,0|2,0,0]=4 3472 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [1,1,0,0,0,0|2,0,0]=4 3473 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [1,1,0,0,0,0|2,0,0]=4 3474 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [1,1,0,0,0,0|2,0,0]=4 3475 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [1,1,0,0,0,0|2,0,0]=4 3476 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [1,1,0,0,0,0|2,0,0]=4 3477 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [1,1,0,0,0,0|2,0,0]=4 3478 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [1,1,0,0,0,0|2,0,0]=4 3479 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [1,1,0,0,0,0|2,0,0]=4 3480 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [1,1,0,0,0,0|2,0,0]=4 3481 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [1,1,0,0,0,0|2,0,0]=4 3482 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [1,1,0,0,0,0|2,0,0]=4 3483 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [1,1,0,0,0,0|2,0,0]=4 3484 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [1,1,0,0,0,0|2,0,0]=4 3485 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [1,1,0,0,0,0|2,0,0]=4 3486 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [1,1,0,0,0,0|2,0,0]=4 3487 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [1,1,0,0,0,0|2,0,0]=4 3488 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [1,1,0,0,0,0|2,0,0]=4 3489 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [1,1,0,0,0,0|2,0,0]=4 3490 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [1,1,0,0,0,0|2,0,0]=4 3491 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [1,1,0,0,0,0|2,0,0]=4 3492 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [1,1,0,0,0,0|2,0,0]=4 3493 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [1,1,0,0,0,0|2,0,0]=4 3494 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [1,1,0,0,0,0|2,0,0]=4 3495 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [1,1,0,0,0,0|2,0,0]=4 3496 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [1,1,0,0,0,0|2,0,0]=4 3497 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [1,1,0,0,0,0|2,0,0]=4 3498 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [1,1,0,0,0,0|2,0,0]=4 3499 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [1,1,0,0,0,0|2,0,0]=4 3500 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [1,1,0,0,0,0|2,0,0]=4 3501 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [1,1,0,0,0,0|2,0,0]=4 3502 B12R1.28 Cc1cc(ccn1)OCCCO 34a_100000688365_100000230001 [1,1,0,0,0,0|1,0,1]=4 3503 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [1,1,0,0,0,0|2,0,0]=4 3504 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [1,1,0,0,0,0|2,0,0]=4 3505 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [1,1,0,0,0,0|2,0,0]=4 3506 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [1,1,0,0,0,0|2,0,0]=4 3507 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [1,1,0,0,0,0|2,0,0]=4 3508 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [1,1,0,0,0,0|2,0,0]=4 3509 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [1,1,0,0,0,0|1,0,1]=4 3510 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [1,1,0,0,0,0|1,0,1]=4 3511 B12R1.28 Cc1cccc(c1)OCCC#N 7a_100000210337_100000184422 [1,1,0,0,0,0|1,0,1]=4 3512 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [1,1,0,0,0,0|1,0,1]=4 3513 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [1,1,0,0,0,0|1,0,1]=4 3514 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [1,1,0,0,0,0|0,0,1]=3 3515 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [1,1,0,0,0,0|0,0,1]=3 3516 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [1,1,0,0,0,0|2,0,0]=4 3517 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [1,1,0,0,0,0|2,0,0]=4 3518 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [1,1,0,0,0,0|2,0,0]=4 3519 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [1,1,0,0,0,0|2,0,0]=4 3520 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [1,1,0,0,0,0|0,1,1]=4 3521 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [1,1,0,0,0,0|0,1,1]=4 3522 B12R1.28 Cc1cncc(c1)OCCCO 34a_100011830280_100000230001 [1,1,0,0,0,0|1,0,1]=4 3523 B12R1.28 Cc1cncc(c1)OCCCO 7a_100011830280_100011215043 [1,1,0,0,0,0|1,0,1]=4 3524 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [1,1,0,0,0,0|1,0,1]=4 3525 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [1,1,0,0,0,0|1,0,1]=4 3526 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [1,1,0,0,0,0|1,0,1]=4 3527 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [1,1,0,0,0,0|1,0,1]=4 3528 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [1,1,0,0,0,0|1,0,1]=4 3529 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [1,1,0,0,0,0|1,0,1]=4 3530 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [1,1,0,0,0,0|1,0,1]=4 3531 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [1,1,0,0,0,0|1,0,1]=4 3532 B12R1.28 N#CCCOc1cccc(c1)Br 7a_100000210342_100000184422 [1,1,0,0,0,0|1,0,1]=4 3533 B12R1.28 N#CCCOc1cccc(c1)Cl 7a_100000210295_100000184422 [1,1,0,0,0,0|1,0,1]=4 3534 B12R1.28 N#CCCOc1cccc(c1)F 7a_100000210426_100000184422 [1,1,0,0,0,0|1,0,1]=4 3535 B12R1.28 N#CCCOc1cccc(c1)I 7a_100000211634_100000184422 [1,1,0,0,0,0|1,0,1]=4 3536 B12R1.28 Nc1cc(ccn1)OCCCO 34a_100011834064_100000230001 [1,1,0,0,0,0|1,0,1]=4 3537 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [1,1,0,0,0,0|2,0,0]=4 3538 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [1,1,0,0,0,0|1,0,1]=4 3539 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [1,1,0,0,0,0|0,0,1]=3 3540 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [1,1,0,0,0,0|0,1,1]=4 3541 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [1,1,0,0,0,0|0,1,1]=4 3542 B12R1.28 Nc1cncc(c1)OCCCO 34a_100011997051_100000230001 [1,1,0,0,0,0|1,0,1]=4 3543 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [1,1,0,0,0,0|2,0,0]=4 3544 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [1,1,0,0,0,0|2,0,0]=4 3545 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [1,1,0,0,0,0|2,0,0]=4 3546 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [1,1,0,0,0,0|2,0,0]=4 3547 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [1,1,0,0,0,0|2,0,0]=4 3548 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [1,1,0,0,0,0|2,0,0]=4 3549 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [1,1,0,0,0,0|2,0,0]=4 3550 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [1,1,0,0,0,0|2,0,0]=4 3551 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [1,1,0,0,0,0|2,0,0]=4 3552 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [1,1,0,0,0,0|2,0,0]=4 3553 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [1,1,0,0,0,0|2,0,0]=4 3554 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [1,1,0,0,0,0|2,0,0]=4 3555 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [1,1,0,0,0,0|2,0,0]=4 3556 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [1,1,0,0,0,0|2,0,0]=4 3557 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [1,1,0,0,0,0|2,0,0]=4 3558 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [1,1,0,0,0,0|2,0,0]=4 3559 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [1,1,0,0,0,0|2,0,0]=4 3560 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [1,1,0,0,0,0|2,0,0]=4 3561 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [1,1,0,0,0,0|2,0,0]=4 3562 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [1,1,0,0,0,0|2,0,0]=4 3563 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [1,1,0,0,0,0|2,0,0]=4 3564 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [1,1,0,0,0,0|2,0,0]=4 3565 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [1,1,0,0,0,0|2,0,0]=4 3566 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [1,1,0,0,0,0|2,0,0]=4 3567 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [1,1,0,0,0,0|2,0,0]=4 3568 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [1,1,0,0,0,0|2,0,0]=4 3569 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [1,1,0,0,0,0|2,0,0]=4 3570 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [1,1,0,0,0,0|2,0,0]=4 3571 B12R1.28 O=c1cc(cc[nH]1)OCCCO 34a_100000032262_100000230001 [1,1,0,0,0,0|1,0,1]=4 3572 B12R1.28 O=c1cccc([nH]1)OCCCO 34a_100000033347_100000230001 [1,1,0,0,0,0|1,0,1]=4 3573 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [1,1,0,0,0,0|1,0,1]=4 3574 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [1,1,0,0,0,0|1,0,1]=4 3575 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [1,1,0,0,0,0|1,0,1]=4 3576 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [1,1,0,0,0,0|1,0,1]=4 3577 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [1,1,0,0,0,0|1,0,1]=4 3578 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [1,1,0,0,0,0|0,0,1]=3 3579 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [1,1,0,0,0,0|0,0,1]=3 3580 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [1,1,0,0,0,0|0,0,1]=3 3581 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [1,1,0,0,0,0|0,0,1]=3 3582 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [1,1,0,0,0,0|0,0,1]=3 3583 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [1,1,0,0,0,0|0,0,1]=3 3584 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [1,1,0,0,0,0|0,0,1]=3 3585 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [1,1,0,0,0,0|0,0,1]=3 3586 B12R1.28 OCCCOc1cccc(n1)F 34a_100011432558_100000230001 [1,1,0,0,0,0|1,0,1]=4 3587 B12R1.28 OCCCOc1ccnc(c1)Cl 34a_100000762945_100000230001 [1,1,0,0,0,0|1,0,1]=4 3588 B12R1.28 OCCCOc1ccnc(c1)F 34a_100000732698_100000230001 [1,1,0,0,0,0|1,0,1]=4 3589 B12R1.28 OCCCOc1cncc(c1)Br 34a_100000754920_100000230001 [1,1,0,0,0,0|1,0,1]=4 3590 B12R1.28 OCCCOc1cncc(c1)Br 7a_100000754920_100011215043 [1,1,0,0,0,0|1,0,1]=4 3591 B12R1.28 OCCCOc1cncc(c1)Cl 7a_100000032511_100011215043 [1,1,0,0,0,0|1,0,1]=4 3592 B12R1.28 OCCCOc1cncc(c1)F 34a_100011830296_100000230001 [1,1,0,0,0,0|1,0,1]=4 3593 B12R1.28 OCCCOc1cncc(c1)F 7a_100011830296_100011215043 [1,1,0,0,0,0|1,0,1]=4 3594 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [1,1,0,0,0,0|0,1,1]=4 3595 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [1,1,0,0,0,0|0,1,1]=4 3596 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [1,1,0,0,0,0|0,1,1]=4 3597 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [1,1,0,0,0,0|0,1,1]=4 3598 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [1,1,0,0,0,0|0,1,1]=4 3599 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [1,1,0,0,0,0|0,1,1]=4 3600 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [1,1,0,0,0,0|0,1,1]=4 3601 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [1,1,0,0,0,0|0,1,1]=4 3602 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [1,1,0,0,0,0|0,1,1]=4 3603 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3604 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3605 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [1,1,0,0,0,0|2,0,0]=4 3606 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [1,1,0,0,0,0|2,0,0]=4 3607 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [1,1,0,0,0,0|2,0,0]=4 3608 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [1,1,0,0,0,0|2,0,0]=4 3609 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [1,1,0,0,0,0|2,0,0]=4 3610 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [1,1,0,0,0,0|2,0,0]=4 3611 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [1,1,0,0,0,0|2,0,0]=4 3612 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [1,1,0,0,0,0|2,0,0]=4 3613 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [1,1,0,0,0,0|2,0,0]=4 3614 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [1,1,0,0,0,0|2,0,0]=4 3615 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [1,1,0,0,0,0|2,0,0]=4 3616 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [1,1,0,0,0,0|2,0,0]=4 3617 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [1,1,0,0,0,0|2,0,0]=4 3618 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [1,1,0,0,0,0|2,0,0]=4 3619 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [1,1,0,0,0,0|2,0,0]=4 3620 B12R1.28 [O-][n+]1cccc(c1)OCCCO 34a_100000039713_100000230001 [1,1,0,0,0,0|1,0,1]=4 3621 B12R1.28 [O-][n+]1cccc(c1)OCCCO 7a_100000039713_100011215043 [1,1,0,0,0,0|1,0,1]=4 3622 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [1,1,0,0,0,0|2,0,0]=4 3623 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 3624 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 3625 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [1,1,0,0,0,0|2,0,0]=4 3626 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [1,1,0,0,0,0|2,0,0]=4 3627 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [1,1,0,0,0,0|2,0,0]=4 3628 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [1,1,0,0,0,0|1,0,1]=4 3629 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [1,1,0,0,0,0|1,0,1]=4 3630 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [1,1,0,0,0,0|1,0,1]=4 3631 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [1,1,0,0,0,0|1,0,1]=4 3632 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [1,1,0,0,0,0|1,0,1]=4 3633 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [1,1,0,0,0,0|1,0,1]=4 3634 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,1,0,0,0,0|2,0,0]=4 3635 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [1,1,0,0,0,0|2,0,0]=4 3636 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [1,1,0,0,0,0|2,0,0]=4 3637 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [1,1,0,0,0,0|1,0,1]=4 3638 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [1,1,0,0,0,0|1,0,1]=4 3639 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [1,1,0,0,0,0|1,0,1]=4 3640 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [1,1,0,0,0,0|1,0,1]=4 3641 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [1,1,0,0,0,0|1,0,1]=4 3642 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [1,1,0,0,0,0|1,0,1]=4 3643 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [1,1,0,0,0,0|0,0,1]=3 3644 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [1,1,0,0,0,0|0,0,1]=3 3645 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [1,1,0,0,0,0|1,0,1]=4 3646 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [1,1,0,0,0,0|1,0,1]=4 3647 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [1,1,0,0,0,0|1,0,1]=4 3648 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [1,1,0,0,0,0|0,1,1]=4 3649 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [1,1,0,0,0,0|0,1,1]=4 3650 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [1,1,0,0,0,0|2,0,0]=4 3651 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [1,1,0,0,0,0|2,0,0]=4 3652 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [1,1,0,0,0,0|2,0,0]=4 3653 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [1,1,0,0,0,0|2,0,0]=4 3654 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [1,1,0,0,0,0|1,0,1]=4 3655 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [1,1,0,0,0,0|1,0,1]=4 3656 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [1,1,0,0,0,0|2,0,0]=4 3657 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [1,1,0,0,0,0|2,0,0]=4 3658 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [1,1,0,0,0,0|2,0,0]=4 3659 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [1,1,0,0,0,0|2,0,0]=4 3660 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [1,1,0,0,0,0|2,0,0]=4 3661 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [1,1,0,0,0,0|2,0,0]=4 3662 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [1,1,0,0,0,0|2,0,0]=4 3663 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [1,1,0,0,0,0|2,0,0]=4 3664 B12R1.267 C#CCCOc1ccccc1Br 34a_100000181306_100000688953 [1,1,0,0,0,0|1,0,1]=4 3665 B12R1.267 C#CCCOc1ccccc1Br 7a_100000181306_100000688953 [1,1,0,0,0,0|1,0,1]=4 3666 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [1,1,0,0,0,0|1,0,1]=4 3667 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [1,1,0,0,0,0|1,0,1]=4 3668 B12R1.267 C#CCCOc1ccccc1Cl 34a_100000210172_100000688953 [1,1,0,0,0,0|1,0,1]=4 3669 B12R1.267 C#CCCOc1ccccc1Cl 7a_100000210172_100000688953 [1,1,0,0,0,0|1,0,1]=4 3670 B12R1.267 C#CCCOc1ccccc1F 34a_100000210171_100000688953 [1,1,0,0,0,0|1,0,1]=4 3671 B12R1.267 C#CCCOc1ccccc1F 7a_100000210171_100000688953 [1,1,0,0,0,0|1,0,1]=4 3672 B12R1.267 C#CCCOc1ccccc1I 34a_100000739446_100000688953 [1,1,0,0,0,0|1,0,1]=4 3673 B12R1.267 C#CCCOc1ccccc1I 7a_100000739446_100000688953 [1,1,0,0,0,0|1,0,1]=4 3674 B12R1.267 C#CCCOc1ccccc1N 34a_100000185747_100000688953 [1,1,0,0,0,0|1,0,1]=4 3675 B12R1.267 C#CCCOc1ccccc1N 7a_100000185747_100000688953 [1,1,0,0,0,0|1,0,1]=4 3676 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [1,1,0,0,0,0|1,0,1]=4 3677 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [1,1,0,0,0,0|1,0,1]=4 3678 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [1,1,0,0,0,0|1,0,1]=4 3679 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [1,1,0,0,0,0|1,0,1]=4 3680 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [1,1,0,0,0,0|1,0,1]=4 3681 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [1,1,0,0,0,0|1,0,1]=4 3682 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [1,1,0,0,0,0|1,0,1]=4 3683 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [1,1,0,0,0,0|1,0,1]=4 3684 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [1,1,0,0,0,0|1,0,1]=4 3685 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [1,1,0,0,0,0|1,0,1]=4 3686 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [1,1,0,0,0,0|1,0,1]=4 3687 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [1,1,0,0,0,0|1,0,1]=4 3688 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [1,1,0,0,0,0|2,0,0]=4 3689 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [1,1,0,0,0,0|2,0,0]=4 3690 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [1,1,0,0,0,0|2,0,0]=4 3691 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [1,1,0,0,0,0|2,0,0]=4 3692 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [1,1,0,0,0,0|2,0,0]=4 3693 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [1,1,0,0,0,0|2,0,0]=4 3694 B12R1.267 C=CCCOc1cccc[n+]1[O-] 7a_100000211761_100000754431 [1,1,0,0,0,0|2,0,0]=4 3695 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [1,1,0,0,0,0|1,0,0]=3 3696 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [1,1,0,0,0,0|1,0,0]=3 3697 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [1,1,0,0,0,0|1,0,0]=3 3698 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [1,1,0,0,0,0|1,0,0]=3 3699 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [1,1,0,0,0,0|1,0,0]=3 3700 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [1,1,0,0,0,0|1,0,0]=3 3701 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [1,1,0,0,0,0|1,0,0]=3 3702 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [1,1,0,0,0,0|1,0,0]=3 3703 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [1,1,0,0,0,0|1,0,0]=3 3704 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [1,1,0,0,0,0|1,0,0]=3 3705 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [1,1,0,0,0,0|1,0,0]=3 3706 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [1,1,0,0,0,0|1,0,0]=3 3707 B12R1.267 C=CCCOc1cccnc1Br 34a_100000744436_100000754431 [1,1,0,0,0,0|2,0,0]=4 3708 B12R1.267 C=CCCOc1cccnc1Br 7a_100000744436_100000754431 [1,1,0,0,0,0|2,0,0]=4 3709 B12R1.267 C=CCCOc1cccnc1C 34a_100000745507_100000754431 [1,1,0,0,0,0|2,0,0]=4 3710 B12R1.267 C=CCCOc1cccnc1C 7a_100000745507_100000754431 [1,1,0,0,0,0|2,0,0]=4 3711 B12R1.267 C=CCCOc1cccnc1Cl 34a_100000757616_100000754431 [1,1,0,0,0,0|2,0,0]=4 3712 B12R1.267 C=CCCOc1cccnc1Cl 7a_100000757616_100000754431 [1,1,0,0,0,0|2,0,0]=4 3713 B12R1.267 C=CCCOc1cccnc1F 34a_100000061740_100000754431 [1,1,0,0,0,0|2,0,0]=4 3714 B12R1.267 C=CCCOc1cccnc1F 7a_100000061740_100000754431 [1,1,0,0,0,0|2,0,0]=4 3715 B12R1.267 C=CCCOc1cccnc1I 34a_100000034122_100000754431 [1,1,0,0,0,0|2,0,0]=4 3716 B12R1.267 C=CCCOc1cccnc1I 7a_100000034122_100000754431 [1,1,0,0,0,0|2,0,0]=4 3717 B12R1.267 C=CCCOc1cccnc1N 34a_100000211975_100000754431 [1,1,0,0,0,0|2,0,0]=4 3718 B12R1.267 C=CCCOc1cccnc1N 7a_100000211975_100000754431 [1,1,0,0,0,0|2,0,0]=4 3719 B12R1.267 C=CCCOc1cccoc1=O 34a_100000077404_100000754431 [1,1,0,0,0,0|2,0,0]=4 3720 B12R1.267 C=CCCOc1cccoc1=O 7a_100000077404_100000754431 [1,1,0,0,0,0|2,0,0]=4 3721 B12R1.267 C=CCCOc1ccncc1Br 34a_100011996408_100000754431 [1,1,0,0,0,0|2,0,0]=4 3722 B12R1.267 C=CCCOc1ccncc1C 34a_100000694293_100000754431 [1,1,0,0,0,0|2,0,0]=4 3723 B12R1.267 C=CCCOc1ccncc1Cl 34a_100011997054_100000754431 [1,1,0,0,0,0|2,0,0]=4 3724 B12R1.267 C=CCCOc1ccncc1F 34a_200000081243_100000754431 [1,1,0,0,0,0|2,0,0]=4 3725 B12R1.267 C=CCCOc1cnccc1C 34a_100011997053_100000754431 [1,1,0,0,0,0|2,0,0]=4 3726 B12R1.267 C=CCCOc1cnccc1C 7a_100011997053_100000754431 [1,1,0,0,0,0|2,0,0]=4 3727 B12R1.267 C=CCCOc1cnccc1Cl 34a_100011996695_100000754431 [1,1,0,0,0,0|2,0,0]=4 3728 B12R1.267 C=CCCOc1cnccc1I 34a_100000050107_100000754431 [1,1,0,0,0,0|2,0,0]=4 3729 B12R1.267 C=CCCOc1cnccc1N 34a_100000753702_100000754431 [1,1,0,0,0,0|2,0,0]=4 3730 B12R1.267 C=CCCOc1coccc1=O 34a_100000060831_100000754431 [1,1,0,0,0,0|2,0,0]=4 3731 B12R1.267 C=CCCOc1ncccc1Cl 34a_100011290957_100000754431 [1,1,0,0,0,0|2,0,0]=4 3732 B12R1.267 C=CCCOc1ncccc1F 34a_100011219419_100000754431 [1,1,0,0,0,0|2,0,0]=4 3733 B12R1.267 C=CCCOc1ncccc1N 34a_100000746358_100000754431 [1,1,0,0,0,0|2,0,0]=4 3734 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [1,1,0,0,0,0|1,1,0]=4 3735 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [1,1,0,0,0,0|1,1,0]=4 3736 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [1,1,0,0,0,0|1,1,0]=4 3737 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [1,1,0,0,0,0|1,1,0]=4 3738 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [1,1,0,0,0,0|1,1,0]=4 3739 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [1,1,0,0,0,0|1,1,0]=4 3740 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [1,1,0,0,0,0|1,1,0]=4 3741 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [1,1,0,0,0,0|1,1,0]=4 3742 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [1,1,0,0,0,0|1,1,0]=4 3743 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [1,1,0,0,0,0|1,1,0]=4 3744 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [1,1,0,0,0,0|1,1,0]=4 3745 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [1,1,0,0,0,0|1,1,0]=4 3746 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [1,1,0,0,0,0|1,0,1]=4 3747 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [1,1,0,0,0,0|1,0,1]=4 3748 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [1,1,0,0,0,0|1,0,1]=4 3749 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [1,1,0,0,0,0|1,0,1]=4 3750 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [1,1,0,0,0,0|1,0,1]=4 3751 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [1,1,0,0,0,0|1,0,1]=4 3752 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [1,1,0,0,0,0|1,0,1]=4 3753 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [1,1,0,0,0,0|1,0,1]=4 3754 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [1,1,0,0,0,0|1,0,1]=4 3755 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [1,1,0,0,0,0|1,0,1]=4 3756 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [1,1,0,0,0,0|1,0,1]=4 3757 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [1,1,0,0,0,0|1,0,1]=4 3758 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [1,1,0,0,0,0|1,0,1]=4 3759 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [1,1,0,0,0,0|1,0,1]=4 3760 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [1,1,0,0,0,0|1,0,1]=4 3761 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [1,1,0,0,0,0|1,0,1]=4 3762 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [1,1,0,0,0,0|1,0,1]=4 3763 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [1,1,0,0,0,0|1,0,1]=4 3764 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [1,1,0,0,0,0|1,0,1]=4 3765 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [1,1,0,0,0,0|1,0,1]=4 3766 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [1,1,0,0,0,0|1,0,1]=4 3767 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [1,1,0,0,0,0|1,0,1]=4 3768 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [1,1,0,0,0,0|1,0,1]=4 3769 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [1,1,0,0,0,0|1,0,1]=4 3770 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [1,1,0,0,0,0|1,0,1]=4 3771 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [1,1,0,0,0,0|2,0,0]=4 3772 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [1,1,0,0,0,0|2,0,0]=4 3773 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [1,1,0,0,0,0|2,0,0]=4 3774 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [1,1,0,0,0,0|2,0,0]=4 3775 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [1,1,0,0,0,0|2,0,0]=4 3776 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [1,1,0,0,0,0|2,0,0]=4 3777 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [1,1,0,0,0,0|2,0,0]=4 3778 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [1,1,0,0,0,0|2,0,0]=4 3779 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [1,1,0,0,0,0|2,0,0]=4 3780 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [1,1,0,0,0,0|2,0,0]=4 3781 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [1,1,0,0,0,0|2,0,0]=4 3782 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [1,1,0,0,0,0|2,0,0]=4 3783 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [1,1,0,0,0,0|2,0,0]=4 3784 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [1,1,0,0,0,0|2,0,0]=4 3785 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [1,1,0,0,0,0|2,0,0]=4 3786 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [1,1,0,0,0,0|2,0,0]=4 3787 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [1,1,0,0,0,0|2,0,0]=4 3788 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [1,1,0,0,0,0|2,0,0]=4 3789 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [1,1,0,0,0,0|2,0,0]=4 3790 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [1,1,0,0,0,0|2,0,0]=4 3791 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [1,1,0,0,0,0|2,0,0]=4 3792 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [1,1,0,0,0,0|2,0,0]=4 3793 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [1,1,0,0,0,0|2,0,0]=4 3794 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [1,1,0,0,0,0|2,0,0]=4 3795 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [1,1,0,0,0,0|2,0,0]=4 3796 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [1,1,0,0,0,0|2,0,0]=4 3797 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [1,1,0,0,0,0|2,0,0]=4 3798 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [1,1,0,0,0,0|2,0,0]=4 3799 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [1,1,0,0,0,0|2,0,0]=4 3800 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [1,1,0,0,0,0|2,0,0]=4 3801 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [1,1,0,0,0,0|2,0,0]=4 3802 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [1,1,0,0,0,0|2,0,0]=4 3803 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [1,1,0,0,0,0|2,0,0]=4 3804 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [1,1,0,0,0,0|2,0,0]=4 3805 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [1,1,0,0,0,0|2,0,0]=4 3806 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [1,1,0,0,0,0|2,0,0]=4 3807 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [1,1,0,0,0,0|2,0,0]=4 3808 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [1,1,0,0,0,0|2,0,0]=4 3809 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [1,1,0,0,0,0|2,0,0]=4 3810 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [1,1,0,0,0,0|2,0,0]=4 3811 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [1,1,0,0,0,0|2,0,0]=4 3812 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [1,1,0,0,0,0|2,0,0]=4 3813 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [1,1,0,0,0,0|2,0,0]=4 3814 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [1,1,0,0,0,0|2,0,0]=4 3815 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [1,1,0,0,0,0|2,0,0]=4 3816 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [1,1,0,0,0,0|2,0,0]=4 3817 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [1,1,0,0,0,0|2,0,0]=4 3818 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [1,1,0,0,0,0|2,0,0]=4 3819 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [1,1,0,0,0,0|2,0,0]=4 3820 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [1,1,0,0,0,0|2,0,0]=4 3821 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [1,1,0,0,0,0|2,0,0]=4 3822 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [1,1,0,0,0,0|2,0,0]=4 3823 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [1,1,0,0,0,0|2,0,0]=4 3824 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [1,1,0,0,0,0|2,0,0]=4 3825 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [1,1,0,0,0,0|2,0,0]=4 3826 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [1,1,0,0,0,0|2,0,0]=4 3827 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [1,1,0,0,0,0|2,0,0]=4 3828 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [1,1,0,0,0,0|2,0,0]=4 3829 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [1,1,0,0,0,0|2,0,0]=4 3830 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [1,1,0,0,0,0|2,0,0]=4 3831 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [1,1,0,0,0,0|2,0,0]=4 3832 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [1,1,0,0,0,0|2,0,0]=4 3833 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [1,1,0,0,0,0|2,0,0]=4 3834 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [1,1,0,0,0,0|1,0,1]=4 3835 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [1,1,0,0,0,0|1,0,1]=4 3836 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [1,1,0,0,0,0|1,0,1]=4 3837 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [1,1,0,0,0,0|1,0,1]=4 3838 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [1,1,0,0,0,0|0,0,1]=3 3839 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [1,1,0,0,0,0|0,0,1]=3 3840 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [1,1,0,0,0,0|2,0,0]=4 3841 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [1,1,0,0,0,0|2,0,0]=4 3842 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [1,1,0,0,0,0|2,0,0]=4 3843 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [1,1,0,0,0,0|2,0,0]=4 3844 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [1,1,0,0,0,0|0,1,1]=4 3845 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [1,1,0,0,0,0|0,1,1]=4 3846 B12R1.267 Cc1ccncc1OCCCO 34a_100011997053_100000230001 [1,1,0,0,0,0|1,0,1]=4 3847 B12R1.267 Cc1ccncc1OCCCO 7a_100011997053_100011215043 [1,1,0,0,0,0|1,0,1]=4 3848 B12R1.267 Cc1cnccc1OCCCO 34a_100000694293_100000230001 [1,1,0,0,0,0|1,0,1]=4 3849 B12R1.267 Cc1ncccc1OCCCO 34a_100000745507_100000230001 [1,1,0,0,0,0|1,0,1]=4 3850 B12R1.267 Cc1ncccc1OCCCO 7a_100000745507_100011215043 [1,1,0,0,0,0|1,0,1]=4 3851 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [1,1,0,0,0,0|1,0,1]=4 3852 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [1,1,0,0,0,0|1,0,1]=4 3853 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [1,1,0,0,0,0|1,0,1]=4 3854 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [1,1,0,0,0,0|1,0,1]=4 3855 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [1,1,0,0,0,0|1,0,1]=4 3856 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [1,1,0,0,0,0|1,0,1]=4 3857 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [1,1,0,0,0,0|1,0,1]=4 3858 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [1,1,0,0,0,0|1,0,1]=4 3859 B12R1.267 N#CCCOc1ccccc1Br 7a_100000181306_100000184422 [1,1,0,0,0,0|1,0,1]=4 3860 B12R1.267 N#CCCOc1ccccc1Cl 7a_100000210172_100000184422 [1,1,0,0,0,0|1,0,1]=4 3861 B12R1.267 N#CCCOc1ccccc1F 7a_100000210171_100000184422 [1,1,0,0,0,0|1,0,1]=4 3862 B12R1.267 N#CCCOc1ccccc1I 7a_100000739446_100000184422 [1,1,0,0,0,0|1,0,1]=4 3863 B12R1.267 N#CCCOc1ccccc1N 7a_100000185747_100000184422 [1,1,0,0,0,0|1,0,1]=4 3864 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [1,1,0,0,0,0|2,0,0]=4 3865 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [1,1,0,0,0,0|1,0,1]=4 3866 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [1,1,0,0,0,0|1,0,1]=4 3867 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [1,1,0,0,0,0|0,0,1]=3 3868 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [1,1,0,0,0,0|0,0,1]=3 3869 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [1,1,0,0,0,0|0,1,1]=4 3870 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [1,1,0,0,0,0|0,1,1]=4 3871 B12R1.267 Nc1cccnc1OCCCO 34a_100000746358_100000230001 [1,1,0,0,0,0|1,0,1]=4 3872 B12R1.267 Nc1ccncc1OCCCO 34a_100000753702_100000230001 [1,1,0,0,0,0|1,0,1]=4 3873 B12R1.267 Nc1ncccc1OCCCO 34a_100000211975_100000230001 [1,1,0,0,0,0|1,0,1]=4 3874 B12R1.267 Nc1ncccc1OCCCO 7a_100000211975_100011215043 [1,1,0,0,0,0|1,0,1]=4 3875 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [1,1,0,0,0,0|2,0,0]=4 3876 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [1,1,0,0,0,0|2,0,0]=4 3877 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [1,1,0,0,0,0|2,0,0]=4 3878 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [1,1,0,0,0,0|2,0,0]=4 3879 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [1,1,0,0,0,0|2,0,0]=4 3880 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [1,1,0,0,0,0|2,0,0]=4 3881 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [1,1,0,0,0,0|2,0,0]=4 3882 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [1,1,0,0,0,0|2,0,0]=4 3883 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [1,1,0,0,0,0|2,0,0]=4 3884 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [1,1,0,0,0,0|2,0,0]=4 3885 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [1,1,0,0,0,0|2,0,0]=4 3886 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [1,1,0,0,0,0|2,0,0]=4 3887 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [1,1,0,0,0,0|2,0,0]=4 3888 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [1,1,0,0,0,0|2,0,0]=4 3889 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [1,1,0,0,0,0|2,0,0]=4 3890 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [1,1,0,0,0,0|2,0,0]=4 3891 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [1,1,0,0,0,0|2,0,0]=4 3892 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [1,1,0,0,0,0|2,0,0]=4 3893 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [1,1,0,0,0,0|2,0,0]=4 3894 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [1,1,0,0,0,0|2,0,0]=4 3895 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [1,1,0,0,0,0|2,0,0]=4 3896 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [1,1,0,0,0,0|2,0,0]=4 3897 B12R1.267 O=c1ccocc1OCCCO 34a_100000060831_100000230001 [1,1,0,0,0,0|1,0,1]=4 3898 B12R1.267 O=c1occcc1OCCCO 34a_100000077404_100000230001 [1,1,0,0,0,0|1,0,1]=4 3899 B12R1.267 O=c1occcc1OCCCO 7a_100000077404_100011215043 [1,1,0,0,0,0|1,0,1]=4 3900 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [1,1,0,0,0,0|1,0,1]=4 3901 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [1,1,0,0,0,0|1,0,1]=4 3902 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [1,1,0,0,0,0|1,0,1]=4 3903 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [1,1,0,0,0,0|1,0,1]=4 3904 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [1,1,0,0,0,0|1,0,1]=4 3905 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [1,1,0,0,0,0|1,0,1]=4 3906 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [1,1,0,0,0,0|0,0,1]=3 3907 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [1,1,0,0,0,0|0,0,1]=3 3908 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [1,1,0,0,0,0|0,0,1]=3 3909 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [1,1,0,0,0,0|0,0,1]=3 3910 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [1,1,0,0,0,0|0,0,1]=3 3911 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [1,1,0,0,0,0|0,0,1]=3 3912 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [1,1,0,0,0,0|0,0,1]=3 3913 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [1,1,0,0,0,0|0,0,1]=3 3914 B12R1.267 OCCCOc1cccnc1Br 34a_100000744436_100000230001 [1,1,0,0,0,0|1,0,1]=4 3915 B12R1.267 OCCCOc1cccnc1Br 7a_100000744436_100011215043 [1,1,0,0,0,0|1,0,1]=4 3916 B12R1.267 OCCCOc1cccnc1Cl 34a_100000757616_100000230001 [1,1,0,0,0,0|1,0,1]=4 3917 B12R1.267 OCCCOc1cccnc1Cl 7a_100000757616_100011215043 [1,1,0,0,0,0|1,0,1]=4 3918 B12R1.267 OCCCOc1cccnc1F 34a_100000061740_100000230001 [1,1,0,0,0,0|1,0,1]=4 3919 B12R1.267 OCCCOc1cccnc1F 7a_100000061740_100011215043 [1,1,0,0,0,0|1,0,1]=4 3920 B12R1.267 OCCCOc1cccnc1I 34a_100000034122_100000230001 [1,1,0,0,0,0|1,0,1]=4 3921 B12R1.267 OCCCOc1cccnc1I 7a_100000034122_100011215043 [1,1,0,0,0,0|1,0,1]=4 3922 B12R1.267 OCCCOc1ccncc1Br 34a_100011996408_100000230001 [1,1,0,0,0,0|1,0,1]=4 3923 B12R1.267 OCCCOc1ccncc1Cl 34a_100011997054_100000230001 [1,1,0,0,0,0|1,0,1]=4 3924 B12R1.267 OCCCOc1ccncc1F 34a_200000081243_100000230001 [1,1,0,0,0,0|1,0,1]=4 3925 B12R1.267 OCCCOc1cnccc1Cl 34a_100011996695_100000230001 [1,1,0,0,0,0|1,0,1]=4 3926 B12R1.267 OCCCOc1cnccc1I 34a_100000050107_100000230001 [1,1,0,0,0,0|1,0,1]=4 3927 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [1,1,0,0,0,0|1,0,1]=4 3928 B12R1.267 OCCCOc1ncccc1F 34a_100011219419_100000230001 [1,1,0,0,0,0|1,0,1]=4 3929 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [1,1,0,0,0,0|0,1,1]=4 3930 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [1,1,0,0,0,0|0,1,1]=4 3931 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [1,1,0,0,0,0|0,1,1]=4 3932 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [1,1,0,0,0,0|0,1,1]=4 3933 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [1,1,0,0,0,0|0,1,1]=4 3934 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [1,1,0,0,0,0|0,1,1]=4 3935 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [1,1,0,0,0,0|0,1,1]=4 3936 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [1,1,0,0,0,0|0,1,1]=4 3937 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [1,1,0,0,0,0|2,0,0]=4 3938 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [1,1,0,0,0,0|2,0,0]=4 3939 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [1,1,0,0,0,0|2,0,0]=4 3940 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [1,1,0,0,0,0|2,0,0]=4 3941 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [1,1,0,0,0,0|2,0,0]=4 3942 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [1,1,0,0,0,0|2,0,0]=4 3943 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [1,1,0,0,0,0|2,0,0]=4 3944 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [1,1,0,0,0,0|2,0,0]=4 3945 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [1,1,0,0,0,0|2,0,0]=4 3946 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [1,1,0,0,0,0|2,0,0]=4 3947 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [1,1,0,0,0,0|2,0,0]=4 3948 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [1,1,0,0,0,0|2,0,0]=4 3949 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [1,1,0,0,0,0|2,0,0]=4 3950 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [1,1,0,0,0,0|2,0,0]=4 3951 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [1,1,0,0,0,0|2,0,0]=4 3952 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [1,1,0,0,0,0|2,0,0]=4 3953 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [1,1,0,0,0,0|2,0,0]=4 3954 B12R1.267 [O-][n+]1ccccc1OCCCO 7a_100000211761_100011215043 [1,1,0,0,0,0|1,0,1]=4 3955 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,1,0,0,1,0|2,0,0]=4 3956 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,1,0,0,1,0|2,0,0]=4 3957 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,1,0,0,1,0|2,0,0]=4 3958 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,1,0,0,1,0|2,0,0]=4 3959 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,1,0,0,1,0|2,0,0]=4 3960 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,1,0,0,1,0|2,0,0]=4 3961 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,1,0,0,1,0|2,0,0]=4 3962 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,1,0,0,1,0|2,0,0]=4 3963 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,1,0,0,1,0|2,0,0]=4 3964 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,1,0,0,1,0|2,0,0]=4 3965 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,1,0,0,1,0|2,0,0]=4 3966 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,1,0,0,1,0|2,0,0]=4 3967 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,1,0,0,1,0|2,0,0]=4 3968 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,1,0,0,1,0|2,0,0]=4 3969 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,1,0,0,1,0|2,0,0]=4 3970 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,1,0,0,1,0|2,0,0]=4 3971 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,1,0,0,1,0|2,0,0]=4 3972 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,1,0,0,1,0|2,0,0]=4 3973 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,1,0,0,1,0|2,0,0]=4 3974 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,1,0,0,1,0|2,0,0]=4 3975 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,1,0|1,0,0]=3 3976 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,1,0|1,0,0]=3 3977 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,1,0|1,0,0]=3 3978 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,1,0|1,0,0]=3 3979 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,1,0|1,0,0]=3 3980 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,1,0|1,0,0]=3 3981 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,1,0|1,0,0]=3 3982 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,1,0|1,0,0]=3 3983 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,1,0|1,0,0]=3 3984 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,1,0|1,0,0]=3 3985 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,1,0|1,0,0]=3 3986 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,1,0|1,0,0]=3 3987 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,1,0|1,0,0]=3 3988 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,1,0|1,0,0]=3 3989 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,1,0|1,0,0]=3 3990 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,1,0|1,0,0]=3 3991 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,1,0|1,0,0]=3 3992 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,1,0|1,0,0]=3 3993 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,1,0|1,1,0]=4 3994 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,1,0|1,1,0]=4 3995 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,1,0|1,1,0]=4 3996 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,1,0|1,1,0]=4 3997 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,1,0|2,0,0]=4 3998 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,1,0|2,0,0]=4 3999 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,1,0|2,0,0]=4 4000 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,1,0|2,0,0]=4 4001 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,1,0|2,0,0]=4 4002 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,1,0|2,0,0]=4 4003 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,1,0|2,0,0]=4 4004 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,1,0|2,0,0]=4 4005 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,1,0|2,0,0]=4 4006 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,1,0|2,0,0]=4 4007 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,1,0|2,0,0]=4 4008 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,1,0|2,0,0]=4 4009 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,1,0|2,0,0]=4 4010 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,1,0|2,0,0]=4 4011 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,1,0|2,0,0]=4 4012 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,1,0|2,0,0]=4 4013 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,1,0|2,0,0]=4 4014 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,1,0|2,0,0]=4 4015 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,1,0|2,0,0]=4 4016 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,1,0|2,0,0]=4 4017 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,1,0|2,0,0]=4 4018 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,1,0|2,0,0]=4 4019 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,1,0|2,0,0]=4 4020 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,1,0,0,1,0|1,0,1]=4 4021 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,1,0,0,1,0|1,0,1]=4 4022 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,1,0,0,1,0|1,0,1]=4 4023 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,1,0,0,1,0|1,0,1]=4 4024 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,1,0,0,1,0|1,0,1]=4 4025 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,1,0,0,1,0|1,0,1]=4 4026 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,1,0,0,1,0|1,0,1]=4 4027 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,1,0,0,1,0|1,0,1]=4 4028 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,1,0,0,1,0|1,0,1]=4 4029 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,1,0,0,1,0|1,0,1]=4 4030 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,1,0,0,1,0|1,0,1]=4 4031 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,1,0,0,1,0|1,0,1]=4 4032 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,1,0,0,1,0|1,0,1]=4 4033 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,1,0,0,1,0|1,0,1]=4 4034 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,1,0,0,1,0|1,0,1]=4 4035 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,1,0,0,1,0|1,0,1]=4 4036 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,1,0|1,0,0]=3 4037 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,1,0,0,1,0|2,0,0]=4 4038 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,1,0|1,0,1]=4 4039 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,1,0|1,0,0]=3 4040 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,1,0|1,0,0]=3 4041 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,1,0|1,0,0]=3 4042 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,1,0|0,0,1]=3 4043 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,1,0,0,1,0|1,0,1]=4 4044 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,1,0,0,1,0|1,0,1]=4 4045 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,1,0,0,1,0|1,0,1]=4 4046 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,1,0,0,1,0|1,0,1]=4 4047 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,1,0,0,1,0|1,0,1]=4 4048 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,1,0,0,1,0|1,1,0]=4 4049 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,1,0,0,1,0|1,1,0]=4 4050 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,1,0|1,1,0]=4 4051 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,1,0|0,1,1]=4 4052 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,1,0|0,1,1]=4 4053 B12R1.21 Cc1ccc(cn1)OCC(=O)N 34a_100000745506_100000187820 [0,1,0,0,1,0|2,0,0]=4 4054 B12R1.21 Cc1ccc(cn1)OCC(=O)N 7a_100000745506_100000187820 [0,1,0,0,1,0|2,0,0]=4 4055 B12R1.21 Cc1ccc(cn1)OCC(=O)[O-] 34a_100000745506_100020667443 [0,1,0,0,1,0|1,0,1]=4 4056 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,1,0,0,1,0|2,0,0]=4 4057 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,1,0,0,1,0|1,0,1]=4 4058 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,1,0|1,0,0]=3 4059 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,1,0,0,1,0|2,0,0]=4 4060 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,1,0,0,1,0|2,0,0]=4 4061 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,1,0|2,0,0]=4 4062 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,1,0|2,0,0]=4 4063 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,1,0,0,1,0|2,0,0]=4 4064 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,1,0,0,1,0|2,0,0]=4 4065 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,1,0,0,1,0|2,0,0]=4 4066 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,1,0,0,1,0|2,0,0]=4 4067 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,1,0|1,0,0]=3 4068 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,1,0|1,0,0]=3 4069 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,1,0|1,0,0]=3 4070 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,1,0|1,0,0]=3 4071 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,1,0|1,0,0]=3 4072 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,1,0|1,0,0]=3 4073 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,1,0|1,0,0]=3 4074 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,1,0|1,0,0]=3 4075 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,1,0,0,1,0|2,0,0]=4 4076 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,1,0,0,1,0|2,0,0]=4 4077 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,1,0,0,1,0|2,0,0]=4 4078 B12R1.21 NC(=O)COc1ccc(nc1)Br 34a_100000685995_100000187820 [0,1,0,0,1,0|2,0,0]=4 4079 B12R1.21 NC(=O)COc1ccc(nc1)Br 7a_100000685995_100000187820 [0,1,0,0,1,0|2,0,0]=4 4080 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,1,0,0,1,0|2,0,0]=4 4081 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,1,0,0,1,0|2,0,0]=4 4082 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [0,1,0,0,1,0|2,0,0]=4 4083 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [0,1,0,0,1,0|2,0,0]=4 4084 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [0,1,0,0,1,0|2,0,0]=4 4085 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [0,1,0,0,1,0|2,0,0]=4 4086 B12R1.21 NC(=O)COc1ccc(nc1)N 34a_100015188713_100000187820 [0,1,0,0,1,0|2,0,0]=4 4087 B12R1.21 NC(=O)COc1ccc(nc1)N 7a_100015188713_100000187820 [0,1,0,0,1,0|2,0,0]=4 4088 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,1,0,0,1,0|1,1,0]=4 4089 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,1,0,0,1,0|1,1,0]=4 4090 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,1,0|1,1,0]=4 4091 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,1,0|1,1,0]=4 4092 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,1,0,0,1,0|1,1,0]=4 4093 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,1,0,0,1,0|1,1,0]=4 4094 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,1,0,0,1,0|1,1,0]=4 4095 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,1,0,0,1,0|1,1,0]=4 4096 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,1,0,0,1,0|1,1,0]=4 4097 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,1,0,0,1,0|1,1,0]=4 4098 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,1,0|0,0,1]=3 4099 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,1,0,0,1,0|1,0,1]=4 4100 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,1,0|0,1,1]=4 4101 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,1,0|0,1,1]=4 4102 B12R1.21 Nc1ccc(cn1)OCC(=O)[O-] 34a_100015188713_100020667443 [0,1,0,0,1,0|1,0,1]=4 4103 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,1,0,0,1,0|1,0,1]=4 4104 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,1,0|1,0,1]=4 4105 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,1,0|1,0,1]=4 4106 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,1,0|1,0,1]=4 4107 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,1,0|1,0,1]=4 4108 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,1,0|1,0,1]=4 4109 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,1,0,0,1,0|1,0,1]=4 4110 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,1,0|0,0,1]=3 4111 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,1,0|0,0,1]=3 4112 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,1,0|0,0,1]=3 4113 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,1,0|0,0,1]=3 4114 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,1,0,0,1,0|1,0,1]=4 4115 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,1,0,0,1,0|1,0,1]=4 4116 B12R1.21 O=C([O-])COc1ccc(nc1)Br 34a_100000685995_100020667443 [0,1,0,0,1,0|1,0,1]=4 4117 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,1,0,0,1,0|1,0,1]=4 4118 B12R1.21 O=C([O-])COc1ccc(nc1)F 34a_100000688820_100020667443 [0,1,0,0,1,0|1,0,1]=4 4119 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [0,1,0,0,1,0|1,0,1]=4 4120 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,1,0|0,1,1]=4 4121 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,1,0|0,1,1]=4 4122 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,1,0|0,1,1]=4 4123 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,1,0|0,1,1]=4 4124 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,1,0|0,1,1]=4 4125 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,1,0|0,1,1]=4 4126 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,1,0|0,1,1]=4 4127 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,1,0,0,1,0|1,0,1]=4 4128 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,1,0,0,1,0|1,0,1]=4 4129 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,1,0,0,1,0|1,0,1]=4 4130 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,1,0,0,1,0|1,0,1]=4 4131 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,1,0|1,0,0]=3 4132 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,1,0|1,0,0]=3 4133 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,1,0|1,0,0]=3 4134 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,1,0|1,0,0]=3 4135 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,1,0|1,0,0]=3 4136 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,1,0|1,0,0]=3 4137 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,1,0|1,0,0]=3 4138 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,1,0|1,0,0]=3 4139 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,1,0|1,0,0]=3 4140 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,1,0|1,0,0]=3 4141 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,1,0|1,1,0]=4 4142 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,1,0|1,1,0]=4 4143 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,1,0|1,1,0]=4 4144 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,1,0|1,0,0]=3 4145 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,1,0|1,0,0]=3 4146 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,1,0|2,0,0]=4 4147 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,1,0|1,0,0]=3 4148 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,1,0|1,0,0]=3 4149 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,0,0,1,0|2,0,0]=4 4150 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,1,0|1,1,0]=4 4151 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,1,0|1,1,0]=4 4152 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,1,0|1,1,0]=4 4153 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,1,0|2,0,0]=4 4154 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,1,0|2,0,0]=4 4155 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,1,0|2,0,0]=4 4156 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,1,0|2,0,0]=4 4157 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,1,0|1,0,0]=3 4158 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,1,0|1,0,0]=3 4159 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,1,0|2,0,0]=4 4160 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,1,0|2,0,0]=4 4161 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,1,0|1,0,0]=3 4162 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,1,0|1,0,0]=3 4163 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,1,0|1,0,0]=3 4164 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,1,0,0,1,0|2,0,0]=4 4165 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,1,0,0,1,0|2,0,0]=4 4166 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,1,0,0,1,0|2,0,0]=4 4167 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,1,0|1,1,0]=4 4168 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,1,0|1,1,0]=4 4169 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,1,0|1,1,0]=4 4170 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,1,0|2,0,0]=4 4171 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,1,0|1,0,0]=3 4172 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,1,0|1,0,0]=3 4173 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,1,0,0,1,0|2,0,0]=4 4174 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,1,0,0,1,0|2,0,0]=4 4175 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,1,0,0,1,0|2,0,0]=4 4176 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,1,0|1,1,0]=4 4177 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,1,0|1,1,0]=4 4178 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,1,0|1,0,1]=4 4179 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,1,0|0,0,1]=3 4180 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,1,0,0,1,0|1,0,1]=4 4181 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,1,0,0,1,0|1,0,1]=4 4182 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,1,0|0,1,1]=4 4183 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,1,0|0,1,1]=4 4184 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,1,0|1,0,0]=3 4185 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,1,0|1,0,1]=4 4186 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,1,0|1,0,0]=3 4187 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,1,0|1,0,0]=3 4188 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,1,0|1,0,0]=3 4189 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,1,0|1,0,0]=3 4190 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,1,0|2,0,0]=4 4191 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,1,0|1,0,0]=3 4192 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,1,0|2,0,0]=4 4193 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,1,0|2,0,0]=4 4194 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,1,0|2,0,0]=4 4195 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,1,0|2,0,0]=4 4196 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,1,0|1,0,0]=3 4197 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,1,0|2,0,0]=4 4198 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,1,0|2,0,0]=4 4199 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,1,0|2,0,0]=4 4200 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,1,0|2,0,0]=4 4201 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,1,0|2,0,0]=4 4202 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,1,0|1,0,0]=3 4203 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,1,0|2,0,0]=4 4204 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,1,0|1,0,1]=4 4205 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,1,0|1,0,1]=4 4206 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,1,0|1,0,1]=4 4207 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,1,0|0,0,2]=4 4208 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,1,0|1,0,0]=3 4209 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,1,0|2,0,0]=4 4210 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,1,0|2,0,0]=4 4211 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,1,0|1,0,0]=3 4212 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,1,0,0,1,0|2,0,0]=4 4213 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,1,0,0,1,0|2,0,0]=4 4214 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,1,0,0,1,0|2,0,0]=4 4215 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,1,0,0,1,0|2,0,0]=4 4216 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,1,0,0,1,0|2,0,0]=4 4217 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,1,0,0,1,0|2,0,0]=4 4218 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,1,0,0,1,0|2,0,0]=4 4219 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,1,0,0,1,0|2,0,0]=4 4220 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,1,0,0,1,0|2,0,0]=4 4221 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,1,0,0,1,0|2,0,0]=4 4222 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,1,0,0,1,0|2,0,0]=4 4223 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,1,0,0,1,0|2,0,0]=4 4224 B12R1.125 C=C(F)COc1ccccc1Br 34a_100000181306_100009893438 [0,1,0,0,1,0|2,0,0]=4 4225 B12R1.125 C=C(F)COc1ccccc1Br 7a_100000181306_100000042424 [0,1,0,0,1,0|2,0,0]=4 4226 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [0,1,0,0,1,0|2,0,0]=4 4227 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [0,1,0,0,1,0|2,0,0]=4 4228 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [0,1,0,0,1,0|2,0,0]=4 4229 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [0,1,0,0,1,0|2,0,0]=4 4230 B12R1.125 C=C(F)COc1ccccc1F 34a_100000210171_100009893438 [0,1,0,0,1,0|2,0,0]=4 4231 B12R1.125 C=C(F)COc1ccccc1F 7a_100000210171_100000042424 [0,1,0,0,1,0|2,0,0]=4 4232 B12R1.125 C=C(F)COc1ccccc1I 34a_100000739446_100009893438 [0,1,0,0,1,0|2,0,0]=4 4233 B12R1.125 C=C(F)COc1ccccc1I 7a_100000739446_100000042424 [0,1,0,0,1,0|2,0,0]=4 4234 B12R1.125 C=C(F)COc1ccccc1N 34a_100000185747_100009893438 [0,1,0,0,1,0|2,0,0]=4 4235 B12R1.125 C=C(F)COc1ccccc1N 7a_100000185747_100000042424 [0,1,0,0,1,0|2,0,0]=4 4236 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,1,0|1,0,0]=3 4237 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,1,0|1,0,0]=3 4238 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,1,0|1,0,0]=3 4239 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,1,0|1,0,0]=3 4240 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,1,0|1,0,0]=3 4241 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,1,0|1,0,0]=3 4242 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,1,0|1,0,0]=3 4243 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,1,0|1,0,0]=3 4244 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,1,0|1,0,0]=3 4245 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,1,0|1,0,0]=3 4246 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,1,0|1,0,0]=3 4247 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,0,1,0|2,0,0]=4 4248 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,1,0|1,0,0]=3 4249 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,1,0|1,0,0]=3 4250 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,1,0|1,0,0]=3 4251 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,1,0|1,0,0]=3 4252 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,1,0|1,0,0]=3 4253 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,1,0|1,1,0]=4 4254 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,1,0|1,1,0]=4 4255 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,1,0|1,1,0]=4 4256 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,1,0|2,0,0]=4 4257 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,1,0|2,0,0]=4 4258 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,1,0|2,0,0]=4 4259 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,1,0|2,0,0]=4 4260 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,1,0|2,0,0]=4 4261 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,1,0|2,0,0]=4 4262 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,1,0|2,0,0]=4 4263 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,1,0|2,0,0]=4 4264 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,1,0|2,0,0]=4 4265 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,1,0|2,0,0]=4 4266 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,1,0|2,0,0]=4 4267 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,1,0|2,0,0]=4 4268 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,1,0|2,0,0]=4 4269 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,1,0|2,0,0]=4 4270 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,1,0|2,0,0]=4 4271 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,1,0|2,0,0]=4 4272 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,1,0|2,0,0]=4 4273 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,1,0|2,0,0]=4 4274 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,1,0|2,0,0]=4 4275 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,1,0|2,0,0]=4 4276 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,1,0|2,0,0]=4 4277 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,1,0|2,0,0]=4 4278 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,1,0|2,0,0]=4 4279 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,1,0,0,1,0|1,0,1]=4 4280 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,1,0,0,1,0|1,0,1]=4 4281 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,1,0,0,1,0|1,0,1]=4 4282 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,1,0,0,1,0|1,0,1]=4 4283 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,1,0,0,1,0|1,0,1]=4 4284 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,1,0,0,1,0|1,0,1]=4 4285 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,1,0,0,1,0|1,0,1]=4 4286 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,1,0,0,1,0|1,0,1]=4 4287 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,1,0,0,1,0|1,0,1]=4 4288 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,1,0,0,1,0|1,0,1]=4 4289 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,1,0,0,1,0|1,0,1]=4 4290 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,1,0,0,1,0|1,0,1]=4 4291 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,1,0,0,1,0|1,0,1]=4 4292 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,1,0,0,1,0|1,0,1]=4 4293 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,1,0,0,1,0|1,0,1]=4 4294 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,1,0,0,1,0|1,0,1]=4 4295 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,1,0,0,1,0|1,0,1]=4 4296 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,1,0,0,1,0|1,0,1]=4 4297 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,1,0,0,1,0|1,0,1]=4 4298 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,1,0,0,1,0|1,0,1]=4 4299 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,1,0|1,0,0]=3 4300 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,1,0,0,1,0|2,0,0]=4 4301 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,1,0|1,0,1]=4 4302 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,0,0,1,0|1,0,0]=3 4303 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,0,0,1,0|1,0,0]=3 4304 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,1,0|1,0,0]=3 4305 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,1,0|0,0,1]=3 4306 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,1,0,0,1,0|1,0,1]=4 4307 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,1,0,0,1,0|1,0,1]=4 4308 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,1,0,0,1,0|1,0,1]=4 4309 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,1,0,0,1,0|1,0,1]=4 4310 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [0,1,0,0,1,0|1,0,1]=4 4311 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,1,0,0,1,0|1,1,0]=4 4312 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,1,0,0,1,0|1,1,0]=4 4313 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,1,0|1,1,0]=4 4314 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,1,0|0,1,1]=4 4315 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,1,0|0,1,1]=4 4316 B12R1.125 Cc1ccncc1OCC(=O)N 34a_100011997053_100000187820 [0,1,0,0,1,0|2,0,0]=4 4317 B12R1.125 Cc1ccncc1OCC(=O)N 7a_100011997053_100000187820 [0,1,0,0,1,0|2,0,0]=4 4318 B12R1.125 Cc1ccncc1OCC(=O)[O-] 34a_100011997053_100020667443 [0,1,0,0,1,0|1,0,1]=4 4319 B12R1.125 Cc1cnccc1OCC(=O)N 34a_100000694293_100000187820 [0,1,0,0,1,0|2,0,0]=4 4320 B12R1.125 Cc1cnccc1OCC(=O)[O-] 34a_100000694293_100020667443 [0,1,0,0,1,0|1,0,1]=4 4321 B12R1.125 Cc1ncccc1OCC(=O)N 34a_100000745507_100000187820 [0,1,0,0,1,0|2,0,0]=4 4322 B12R1.125 Cc1ncccc1OCC(=O)N 7a_100000745507_100000187820 [0,1,0,0,1,0|2,0,0]=4 4323 B12R1.125 Cc1ncccc1OCC(=O)[O-] 34a_100000745507_100020667443 [0,1,0,0,1,0|1,0,1]=4 4324 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,1,0|1,0,0]=3 4325 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,1,0,0,1,0|2,0,0]=4 4326 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,1,0|2,0,0]=4 4327 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,1,0,0,1,0|2,0,0]=4 4328 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,1,0,0,1,0|2,0,0]=4 4329 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,0,0,1,0|2,0,0]=4 4330 B12R1.125 NC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000187820 [0,1,0,0,1,0|2,0,0]=4 4331 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,0,0,1,0|1,0,0]=3 4332 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,0,0,1,0|1,0,0]=3 4333 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,1,0|1,0,0]=3 4334 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,1,0|1,0,0]=3 4335 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,0,0,1,0|1,0,0]=3 4336 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,0,0,1,0|1,0,0]=3 4337 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,0,0,1,0|1,0,0]=3 4338 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,0,0,1,0|1,0,0]=3 4339 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,0,0,1,0|1,0,0]=3 4340 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,0,0,1,0|1,0,0]=3 4341 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,0,0,1,0|1,0,0]=3 4342 B12R1.125 NC(=O)COc1cccnc1Br 34a_100000744436_100000187820 [0,1,0,0,1,0|2,0,0]=4 4343 B12R1.125 NC(=O)COc1cccnc1Br 7a_100000744436_100000187820 [0,1,0,0,1,0|2,0,0]=4 4344 B12R1.125 NC(=O)COc1cccnc1Cl 34a_100000757616_100000187820 [0,1,0,0,1,0|2,0,0]=4 4345 B12R1.125 NC(=O)COc1cccnc1Cl 7a_100000757616_100000187820 [0,1,0,0,1,0|2,0,0]=4 4346 B12R1.125 NC(=O)COc1cccnc1F 34a_100000061740_100000187820 [0,1,0,0,1,0|2,0,0]=4 4347 B12R1.125 NC(=O)COc1cccnc1F 7a_100000061740_100000187820 [0,1,0,0,1,0|2,0,0]=4 4348 B12R1.125 NC(=O)COc1cccnc1I 34a_100000034122_100000187820 [0,1,0,0,1,0|2,0,0]=4 4349 B12R1.125 NC(=O)COc1cccnc1I 7a_100000034122_100000187820 [0,1,0,0,1,0|2,0,0]=4 4350 B12R1.125 NC(=O)COc1cccnc1N 34a_100000211975_100000187820 [0,1,0,0,1,0|2,0,0]=4 4351 B12R1.125 NC(=O)COc1cccnc1N 7a_100000211975_100000187820 [0,1,0,0,1,0|2,0,0]=4 4352 B12R1.125 NC(=O)COc1cccoc1=O 34a_100000077404_100000187820 [0,1,0,0,1,0|2,0,0]=4 4353 B12R1.125 NC(=O)COc1cccoc1=O 7a_100000077404_100000187820 [0,1,0,0,1,0|2,0,0]=4 4354 B12R1.125 NC(=O)COc1ccncc1Br 34a_100011996408_100000187820 [0,1,0,0,1,0|2,0,0]=4 4355 B12R1.125 NC(=O)COc1ccncc1Cl 34a_100011997054_100000187820 [0,1,0,0,1,0|2,0,0]=4 4356 B12R1.125 NC(=O)COc1ccncc1F 34a_200000081243_100000187820 [0,1,0,0,1,0|2,0,0]=4 4357 B12R1.125 NC(=O)COc1cnccc1Cl 34a_100011996695_100000187820 [0,1,0,0,1,0|2,0,0]=4 4358 B12R1.125 NC(=O)COc1cnccc1I 34a_100000050107_100000187820 [0,1,0,0,1,0|2,0,0]=4 4359 B12R1.125 NC(=O)COc1cnccc1N 34a_100000753702_100000187820 [0,1,0,0,1,0|2,0,0]=4 4360 B12R1.125 NC(=O)COc1coccc1=O 34a_100000060831_100000187820 [0,1,0,0,1,0|2,0,0]=4 4361 B12R1.125 NC(=O)COc1ncccc1Cl 34a_100011290957_100000187820 [0,1,0,0,1,0|2,0,0]=4 4362 B12R1.125 NC(=O)COc1ncccc1F 34a_100011219419_100000187820 [0,1,0,0,1,0|2,0,0]=4 4363 B12R1.125 NC(=O)COc1ncccc1N 34a_100000746358_100000187820 [0,1,0,0,1,0|2,0,0]=4 4364 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,1,0,0,1,0|1,1,0]=4 4365 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,1,0,0,1,0|1,1,0]=4 4366 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,1,0|1,1,0]=4 4367 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,1,0|1,1,0]=4 4368 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,1,0,0,1,0|1,1,0]=4 4369 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,1,0,0,1,0|1,1,0]=4 4370 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,1,0,0,1,0|1,1,0]=4 4371 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,1,0,0,1,0|1,1,0]=4 4372 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,0,0,1,0|1,1,0]=4 4373 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,0,0,1,0|1,1,0]=4 4374 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,1,0|0,0,1]=3 4375 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [0,1,0,0,1,0|1,0,1]=4 4376 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,1,0|0,1,1]=4 4377 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,1,0|0,1,1]=4 4378 B12R1.125 Nc1cccnc1OCC(=O)[O-] 34a_100000746358_100020667443 [0,1,0,0,1,0|1,0,1]=4 4379 B12R1.125 Nc1ccncc1OCC(=O)[O-] 34a_100000753702_100020667443 [0,1,0,0,1,0|1,0,1]=4 4380 B12R1.125 Nc1ncccc1OCC(=O)[O-] 34a_100000211975_100020667443 [0,1,0,0,1,0|1,0,1]=4 4381 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,1,0|1,0,1]=4 4382 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,1,0|1,0,1]=4 4383 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,1,0|1,0,1]=4 4384 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,1,0|1,0,1]=4 4385 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,1,0|1,0,1]=4 4386 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,1,0|0,0,1]=3 4387 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,1,0|0,0,1]=3 4388 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,1,0|0,0,1]=3 4389 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,1,0|0,0,1]=3 4390 B12R1.125 O=C([O-])COc1cccnc1Br 34a_100000744436_100020667443 [0,1,0,0,1,0|1,0,1]=4 4391 B12R1.125 O=C([O-])COc1cccnc1Cl 34a_100000757616_100020667443 [0,1,0,0,1,0|1,0,1]=4 4392 B12R1.125 O=C([O-])COc1cccnc1F 34a_100000061740_100020667443 [0,1,0,0,1,0|1,0,1]=4 4393 B12R1.125 O=C([O-])COc1cccnc1I 34a_100000034122_100020667443 [0,1,0,0,1,0|1,0,1]=4 4394 B12R1.125 O=C([O-])COc1cccoc1=O 34a_100000077404_100020667443 [0,1,0,0,1,0|1,0,1]=4 4395 B12R1.125 O=C([O-])COc1ccncc1Br 34a_100011996408_100020667443 [0,1,0,0,1,0|1,0,1]=4 4396 B12R1.125 O=C([O-])COc1ccncc1Cl 34a_100011997054_100020667443 [0,1,0,0,1,0|1,0,1]=4 4397 B12R1.125 O=C([O-])COc1ccncc1F 34a_200000081243_100020667443 [0,1,0,0,1,0|1,0,1]=4 4398 B12R1.125 O=C([O-])COc1cnccc1Cl 34a_100011996695_100020667443 [0,1,0,0,1,0|1,0,1]=4 4399 B12R1.125 O=C([O-])COc1cnccc1I 34a_100000050107_100020667443 [0,1,0,0,1,0|1,0,1]=4 4400 B12R1.125 O=C([O-])COc1coccc1=O 34a_100000060831_100020667443 [0,1,0,0,1,0|1,0,1]=4 4401 B12R1.125 O=C([O-])COc1ncccc1Cl 34a_100011290957_100020667443 [0,1,0,0,1,0|1,0,1]=4 4402 B12R1.125 O=C([O-])COc1ncccc1F 34a_100011219419_100020667443 [0,1,0,0,1,0|1,0,1]=4 4403 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,1,0|0,1,1]=4 4404 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,1,0|0,1,1]=4 4405 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,1,0|0,1,1]=4 4406 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,1,0|0,1,1]=4 4407 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,1,0|0,1,1]=4 4408 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,1,0|0,1,1]=4 4409 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,1,0|0,1,1]=4 4410 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,1,0|0,1,1]=4 4411 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [0,1,0,0,1,0|1,0,1]=4 4412 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,1,0,0,1,0|1,0,1]=4 4413 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [0,1,0,0,1,0|1,0,1]=4 4414 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [0,1,0,0,1,0|1,0,1]=4 4415 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,1,0|1,0,0]=3 4416 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,1,0|1,0,0]=3 4417 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,1,0|1,0,0]=3 4418 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,1,0|1,0,0]=3 4419 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,1,0|1,0,0]=3 4420 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,0,1,0|2,0,0]=4 4421 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,1,0|1,0,0]=3 4422 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,1,0|1,0,0]=3 4423 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,1,0|1,0,0]=3 4424 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,1,0|1,0,0]=3 4425 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,1,0|1,1,0]=4 4426 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,1,0|1,1,0]=4 4427 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,1,0,0,1,0|2,0,0]=4 4428 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,1,0,0,1,0|2,0,0]=4 4429 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,1,0,0,1,0|2,0,0]=4 4430 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,1,0,0,1,0|2,0,0]=4 4431 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,1,0,0,1,0|2,0,0]=4 4432 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,1,0,0,1,0|2,0,0]=4 4433 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,1,0,0,1,0|2,0,0]=4 4434 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,1,0,0,1,0|2,0,0]=4 4435 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,1,0,0,1,0|2,0,0]=4 4436 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,1,0,0,1,0|2,0,0]=4 4437 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,1,0,0,1,0|2,0,0]=4 4438 B12R1.226 C=C(F)COc1cccc(c1)Br 34a_100000210342_100009893438 [0,1,0,0,1,0|2,0,0]=4 4439 B12R1.226 C=C(F)COc1cccc(c1)Br 7a_100000210342_100000042424 [0,1,0,0,1,0|2,0,0]=4 4440 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,1,0,0,1,0|2,0,0]=4 4441 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,1,0,0,1,0|2,0,0]=4 4442 B12R1.226 C=C(F)COc1cccc(c1)Cl 34a_100000210295_100009893438 [0,1,0,0,1,0|2,0,0]=4 4443 B12R1.226 C=C(F)COc1cccc(c1)Cl 7a_100000210295_100000042424 [0,1,0,0,1,0|2,0,0]=4 4444 B12R1.226 C=C(F)COc1cccc(c1)F 34a_100000210426_100009893438 [0,1,0,0,1,0|2,0,0]=4 4445 B12R1.226 C=C(F)COc1cccc(c1)F 7a_100000210426_100000042424 [0,1,0,0,1,0|2,0,0]=4 4446 B12R1.226 C=C(F)COc1cccc(c1)I 34a_100000211634_100009893438 [0,1,0,0,1,0|2,0,0]=4 4447 B12R1.226 C=C(F)COc1cccc(c1)I 7a_100000211634_100000042424 [0,1,0,0,1,0|2,0,0]=4 4448 B12R1.226 C=C(F)COc1cccc(c1)N 34a_100000210217_100009893438 [0,1,0,0,1,0|2,0,0]=4 4449 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,1,0|1,0,0]=3 4450 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,1,0|1,0,0]=3 4451 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,1,0|1,0,0]=3 4452 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,1,0|1,0,0]=3 4453 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,1,0|1,0,0]=3 4454 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,1,0|1,0,0]=3 4455 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,1,0|1,0,0]=3 4456 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,1,0|1,0,0]=3 4457 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,1,0|1,0,0]=3 4458 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,1,0|1,0,0]=3 4459 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,1,0|1,0,0]=3 4460 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,1,0|1,0,0]=3 4461 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,1,0|1,0,0]=3 4462 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,1,0|1,0,0]=3 4463 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,1,0|1,0,0]=3 4464 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,1,0|1,1,0]=4 4465 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,1,0|2,0,0]=4 4466 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,1,0|2,0,0]=4 4467 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,1,0|2,0,0]=4 4468 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,1,0|2,0,0]=4 4469 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,1,0|2,0,0]=4 4470 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,1,0|2,0,0]=4 4471 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,1,0|2,0,0]=4 4472 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,1,0|2,0,0]=4 4473 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,1,0|2,0,0]=4 4474 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,1,0|2,0,0]=4 4475 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,1,0|2,0,0]=4 4476 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,1,0|2,0,0]=4 4477 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,1,0|2,0,0]=4 4478 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,1,0|2,0,0]=4 4479 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,1,0|2,0,0]=4 4480 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,1,0|2,0,0]=4 4481 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,1,0|2,0,0]=4 4482 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,1,0|2,0,0]=4 4483 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,1,0|2,0,0]=4 4484 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,1,0|2,0,0]=4 4485 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,1,0|2,0,0]=4 4486 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,1,0|2,0,0]=4 4487 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,1,0|2,0,0]=4 4488 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,1,0,0,1,0|1,0,1]=4 4489 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,1,0,0,1,0|1,0,1]=4 4490 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,1,0,0,1,0|1,0,1]=4 4491 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,1,0,0,1,0|1,0,1]=4 4492 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,1,0,0,1,0|1,0,1]=4 4493 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,1,0,0,1,0|1,0,1]=4 4494 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,1,0,0,1,0|1,0,1]=4 4495 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,1,0,0,1,0|1,0,1]=4 4496 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,1,0,0,1,0|1,0,1]=4 4497 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,1,0,0,1,0|1,0,1]=4 4498 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,1,0,0,1,0|1,0,1]=4 4499 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,1,0,0,1,0|1,0,1]=4 4500 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,1,0,0,1,0|1,0,1]=4 4501 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,1,0,0,1,0|1,0,1]=4 4502 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,1,0,0,1,0|1,0,1]=4 4503 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,1,0,0,1,0|1,0,1]=4 4504 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,1,0,0,1,0|1,0,1]=4 4505 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,1,0,0,1,0|1,0,1]=4 4506 B12R1.226 Cc1cc(ccn1)OCC(=O)N 34a_100000688365_100000187820 [0,1,0,0,1,0|2,0,0]=4 4507 B12R1.226 Cc1cc(ccn1)OCC(=O)[O-] 34a_100000688365_100020667443 [0,1,0,0,1,0|1,0,1]=4 4508 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,1,0|1,0,0]=3 4509 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,1,0,0,1,0|2,0,0]=4 4510 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,1,0,0,1,0|2,0,0]=4 4511 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,1,0|1,0,1]=4 4512 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,1,0,0,1,0|1,0,0]=3 4513 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,1,0,0,1,0|1,0,0]=3 4514 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,1,0|1,0,0]=3 4515 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,1,0|0,0,1]=3 4516 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,1,0,0,1,0|1,0,1]=4 4517 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,1,0,0,1,0|1,0,1]=4 4518 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,1,0,0,1,0|1,0,1]=4 4519 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,1,0,0,1,0|1,0,1]=4 4520 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,1,0,0,1,0|1,0,1]=4 4521 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,1,0,0,1,0|1,1,0]=4 4522 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,1,0,0,1,0|1,1,0]=4 4523 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,1,0|0,1,1]=4 4524 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,1,0|0,1,1]=4 4525 B12R1.226 Cc1cncc(c1)OCC(=O)N 34a_100011830280_100000187820 [0,1,0,0,1,0|2,0,0]=4 4526 B12R1.226 Cc1cncc(c1)OCC(=O)N 7a_100011830280_100000187820 [0,1,0,0,1,0|2,0,0]=4 4527 B12R1.226 Cc1cncc(c1)OCC(=O)[O-] 34a_100011830280_100020667443 [0,1,0,0,1,0|1,0,1]=4 4528 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,1,0|1,0,0]=3 4529 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,1,0,0,1,0|2,0,0]=4 4530 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,1,0,0,1,0|2,0,0]=4 4531 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,1,0,0,1,0|2,0,0]=4 4532 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,1,0,0,1,0|2,0,0]=4 4533 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,1,0,0,1,0|2,0,0]=4 4534 B12R1.226 NC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000187820 [0,1,0,0,1,0|2,0,0]=4 4535 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000187820 [0,1,0,0,1,0|2,0,0]=4 4536 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000187820 [0,1,0,0,1,0|2,0,0]=4 4537 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000187820 [0,1,0,0,1,0|2,0,0]=4 4538 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,1,0,0,1,0|1,0,0]=3 4539 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,1,0,0,1,0|1,0,0]=3 4540 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,0,0,1,0|1,0,0]=3 4541 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,0,0,1,0|1,0,0]=3 4542 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,1,0,0,1,0|1,0,0]=3 4543 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,1,0,0,1,0|1,0,0]=3 4544 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,1,0,0,1,0|1,0,0]=3 4545 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,1,0,0,1,0|1,0,0]=3 4546 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,1,0,0,1,0|1,0,0]=3 4547 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,1,0,0,1,0|1,0,0]=3 4548 B12R1.226 NC(=O)COc1cccc(n1)F 34a_100011432558_100000187820 [0,1,0,0,1,0|2,0,0]=4 4549 B12R1.226 NC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000187820 [0,1,0,0,1,0|2,0,0]=4 4550 B12R1.226 NC(=O)COc1ccnc(c1)F 34a_100000732698_100000187820 [0,1,0,0,1,0|2,0,0]=4 4551 B12R1.226 NC(=O)COc1ccnc(c1)N 34a_100011834064_100000187820 [0,1,0,0,1,0|2,0,0]=4 4552 B12R1.226 NC(=O)COc1cncc(c1)Br 34a_100000754920_100000187820 [0,1,0,0,1,0|2,0,0]=4 4553 B12R1.226 NC(=O)COc1cncc(c1)Br 7a_100000754920_100000187820 [0,1,0,0,1,0|2,0,0]=4 4554 B12R1.226 NC(=O)COc1cncc(c1)Cl 7a_100000032511_100000187820 [0,1,0,0,1,0|2,0,0]=4 4555 B12R1.226 NC(=O)COc1cncc(c1)F 34a_100011830296_100000187820 [0,1,0,0,1,0|2,0,0]=4 4556 B12R1.226 NC(=O)COc1cncc(c1)F 7a_100011830296_100000187820 [0,1,0,0,1,0|2,0,0]=4 4557 B12R1.226 NC(=O)COc1cncc(c1)N 34a_100011997051_100000187820 [0,1,0,0,1,0|2,0,0]=4 4558 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,1,0,0,1,0|1,1,0]=4 4559 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,1,0,0,1,0|1,1,0]=4 4560 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,1,0,0,1,0|1,1,0]=4 4561 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,1,0,0,1,0|1,1,0]=4 4562 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,1,0,0,1,0|1,1,0]=4 4563 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,1,0,0,1,0|1,1,0]=4 4564 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,1,0,0,1,0|1,1,0]=4 4565 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,1,0,0,1,0|1,1,0]=4 4566 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,1,0,0,1,0|1,1,0]=4 4567 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,1,0,0,1,0|1,1,0]=4 4568 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,1,0,0,1,0|1,1,0]=4 4569 B12R1.226 Nc1cc(ccn1)OCC(=O)[O-] 34a_100011834064_100020667443 [0,1,0,0,1,0|1,0,1]=4 4570 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,1,0|0,0,1]=3 4571 B12R1.226 Nc1cccc(c1)OC[N+](=O)[O-] 34a_100000210217_100000761209 [0,1,0,0,1,0|1,0,1]=4 4572 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,1,0|0,1,1]=4 4573 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,1,0|0,1,1]=4 4574 B12R1.226 Nc1cncc(c1)OCC(=O)[O-] 34a_100011997051_100020667443 [0,1,0,0,1,0|1,0,1]=4 4575 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,1,0|1,0,1]=4 4576 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,1,0|1,0,1]=4 4577 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,1,0|1,0,1]=4 4578 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,1,0|1,0,1]=4 4579 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,1,0|1,0,1]=4 4580 B12R1.226 O=C([O-])COc1cc[nH]c(=O)c1 34a_100000032262_100020667443 [0,1,0,0,1,0|1,0,1]=4 4581 B12R1.226 O=C([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100020667443 [0,1,0,0,1,0|1,0,1]=4 4582 B12R1.226 O=C([O-])COc1cccc(=O)[nH]1 34a_100000033347_100020667443 [0,1,0,0,1,0|1,0,1]=4 4583 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,1,0|0,0,1]=3 4584 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,1,0|0,0,1]=3 4585 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,1,0|0,0,1]=3 4586 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,1,0|0,0,1]=3 4587 B12R1.226 O=C([O-])COc1cccc(n1)F 34a_100011432558_100020667443 [0,1,0,0,1,0|1,0,1]=4 4588 B12R1.226 O=C([O-])COc1ccnc(c1)Cl 34a_100000762945_100020667443 [0,1,0,0,1,0|1,0,1]=4 4589 B12R1.226 O=C([O-])COc1ccnc(c1)F 34a_100000732698_100020667443 [0,1,0,0,1,0|1,0,1]=4 4590 B12R1.226 O=C([O-])COc1cncc(c1)Br 34a_100000754920_100020667443 [0,1,0,0,1,0|1,0,1]=4 4591 B12R1.226 O=C([O-])COc1cncc(c1)F 34a_100011830296_100020667443 [0,1,0,0,1,0|1,0,1]=4 4592 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,1,0|0,1,1]=4 4593 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,1,0|0,1,1]=4 4594 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,1,0|0,1,1]=4 4595 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,1,0|0,1,1]=4 4596 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,1,0|0,1,1]=4 4597 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,1,0|0,1,1]=4 4598 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,1,0|0,1,1]=4 4599 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,1,0|0,1,1]=4 4600 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,1,0|0,1,1]=4 4601 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br 34a_100000210342_100000761209 [0,1,0,0,1,0|1,0,1]=4 4602 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl 34a_100000210295_100000761209 [0,1,0,0,1,0|1,0,1]=4 4603 B12R1.226 O=[N+]([O-])COc1cccc(c1)F 34a_100000210426_100000761209 [0,1,0,0,1,0|1,0,1]=4 4604 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 34a_100000211634_100000761209 [0,1,0,0,1,0|1,0,1]=4 4605 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,1,0|1,0,0]=3 4606 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,1,0|1,0,0]=3 4607 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,1,0|1,0,0]=3 4608 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,1,0|1,0,0]=3 4609 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,1,0|1,0,0]=3 4610 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,1,0|1,0,0]=3 4611 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,1,0|1,0,0]=3 4612 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,1,0|1,0,0]=3 4613 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,1,0|1,1,0]=4 4614 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,1,0,0,1,0|1,0,1]=4 4615 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,1,0,0,1,0|1,0,1]=4 4616 B12R1.891 O=S(=O)([O-])COc1ccccc1 34a_100000210340_100009817235 [0,1,0,0,1,0|1,0,1]=4 4617 B12R1.477 CNC(=O)CCOc1ccsc1 34a_100000106738_100012179268 [0,1,0,0,1,0|2,0,0]=4 4618 B12R1.477 CNC(=O)CCOc1ccsc1 7a_100000106738_100000737683 [0,1,0,0,1,0|2,0,0]=4 4619 B12R1.477 COC(=O)CCOc1ccsc1 34a_100000106738_100000742370 [0,1,0,0,1,0|1,0,0]=3 4620 B12R1.477 COC(=O)CCOc1ccsc1 7a_100000106738_100000204255 [0,1,0,0,1,0|1,0,0]=3 4621 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,1,0,0,1,0|1,1,0]=4 4622 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,1,0,0,1,0|1,1,0]=4 4623 B12R1.477 COC(=O)CCSc1cccs1 62a_100000204255_100011215356 [0,1,0,0,1,0|1,1,0]=4 4624 B12R1.477 COC(=O)CCSc1cccs1 62a_100011215356_100000204255 [0,1,0,0,1,0|1,1,0]=4 4625 B12R1.477 COC(=O)CCSc1ccoc1 62a_100000204255_100011215275 [0,1,0,0,1,0|1,1,0]=4 4626 B12R1.477 COC(=O)CCSc1ccoc1 62a_100011215275_100000204255 [0,1,0,0,1,0|1,1,0]=4 4627 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000204255_100000738268 [0,1,0,0,1,0|1,1,0]=4 4628 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000738268_100000204255 [0,1,0,0,1,0|1,1,0]=4 4629 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,1,0|2,0,0]=4 4630 B12R1.477 O=C(CO)CCCn1cccc1 1458a_100000210174_200009814367 [0,1,0,0,1,0|2,0,0]=4 4631 B14R1.148 C=C(Br)CCOCc1cccc(c1)Br 34a_100009813270_100000698116 [0,1,0,0,0,1|2,0,0]=4 4632 B14R1.148 C=C(Br)CCOCc1cccc(c1)C 34a_100009813270_100000211840 [0,1,0,0,0,1|2,0,0]=4 4633 B14R1.148 C=C(Br)CCOCc1cccc(c1)Cl 34a_100009813270_100000187163 [0,1,0,0,0,1|2,0,0]=4 4634 B14R1.148 C=C(Br)CCOCc1cccc(c1)F 34a_100009813270_100000187166 [0,1,0,0,0,1|2,0,0]=4 4635 B14R1.148 C=C(Br)CCOCc1cccc(c1)I 34a_100009813270_100011218688 [0,1,0,0,0,1|2,0,0]=4 4636 B14R1.148 C=C(Br)CCOCc1cccc(c1)O 34a_100009813270_100011660834 [0,1,0,0,0,1|2,0,0]=4 4637 B14R1.148 C=C(C)CCOCc1cccc(c1)Br 34a_100000687537_100000730704 [0,1,0,0,0,1|2,0,0]=4 4638 B14R1.148 C=C(C)CCOCc1cccc(c1)Br 34a_100000764851_100000698116 [0,1,0,0,0,1|2,0,0]=4 4639 B14R1.148 C=C(C)CCOCc1cccc(c1)Br 7a_100000687537_100000730704 [0,1,0,0,0,1|2,0,0]=4 4640 B14R1.148 C=C(C)CCOCc1cccc(c1)C 34a_100000764851_100000211840 [0,1,0,0,0,1|2,0,0]=4 4641 B14R1.148 C=C(C)CCOCc1cccc(c1)C 34a_100011217746_100000730704 [0,1,0,0,0,1|2,0,0]=4 4642 B14R1.148 C=C(C)CCOCc1cccc(c1)C 7a_100011217746_100000730704 [0,1,0,0,0,1|2,0,0]=4 4643 B14R1.148 C=C(C)CCOCc1cccc(c1)Cl 34a_100000241301_100000730704 [0,1,0,0,0,1|2,0,0]=4 4644 B14R1.148 C=C(C)CCOCc1cccc(c1)Cl 34a_100000764851_100000187163 [0,1,0,0,0,1|2,0,0]=4 4645 B14R1.148 C=C(C)CCOCc1cccc(c1)Cl 7a_100000241301_100000730704 [0,1,0,0,0,1|2,0,0]=4 4646 B14R1.148 C=C(C)CCOCc1cccc(c1)F 34a_100000210976_100000730704 [0,1,0,0,0,1|2,0,0]=4 4647 B14R1.148 C=C(C)CCOCc1cccc(c1)F 34a_100000764851_100000187166 [0,1,0,0,0,1|2,0,0]=4 4648 B14R1.148 C=C(C)CCOCc1cccc(c1)F 7a_100000210976_100000730704 [0,1,0,0,0,1|2,0,0]=4 4649 B14R1.148 C=C(C)CCOCc1cccc(c1)I 34a_100000764851_100011218688 [0,1,0,0,0,1|2,0,0]=4 4650 B14R1.148 C=C(C)CCOCc1cccc(c1)I 34a_100011215336_100000730704 [0,1,0,0,0,1|2,0,0]=4 4651 B14R1.148 C=C(C)CCOCc1cccc(c1)I 7a_100011215336_100000730704 [0,1,0,0,0,1|2,0,0]=4 4652 B14R1.148 C=C(C)CCOCc1cccc(c1)N 34a_100000211919_100000730704 [0,1,0,0,0,1|2,0,0]=4 4653 B14R1.148 C=C(C)CCOCc1cccc(c1)O 34a_100000764851_100011660834 [0,1,0,0,0,1|2,0,0]=4 4654 B14R1.148 CC(=CCCOc1cccc(c1)Br)C 34a_100000210342_100011217483 [0,1,0,0,0,1|2,0,0]=4 4655 B14R1.148 CC(=CCCOc1cccc(c1)Br)C 7a_100000210342_100011217483 [0,1,0,0,0,1|2,0,0]=4 4656 B14R1.148 CC(=CCCOc1cccc(c1)C)C 34a_100000210337_100011217483 [0,1,0,0,0,1|2,0,0]=4 4657 B14R1.148 CC(=CCCOc1cccc(c1)C)C 7a_100000210337_100011217483 [0,1,0,0,0,1|2,0,0]=4 4658 B14R1.148 CC(=CCCOc1cccc(c1)Cl)C 34a_100000210295_100011217483 [0,1,0,0,0,1|2,0,0]=4 4659 B14R1.148 CC(=CCCOc1cccc(c1)Cl)C 7a_100000210295_100011217483 [0,1,0,0,0,1|2,0,0]=4 4660 B14R1.148 CC(=CCCOc1cccc(c1)F)C 34a_100000210426_100011217483 [0,1,0,0,0,1|2,0,0]=4 4661 B14R1.148 CC(=CCCOc1cccc(c1)F)C 7a_100000210426_100011217483 [0,1,0,0,0,1|2,0,0]=4 4662 B14R1.148 CC(=CCCOc1cccc(c1)I)C 34a_100000211634_100011217483 [0,1,0,0,0,1|2,0,0]=4 4663 B14R1.148 CC(=CCCOc1cccc(c1)I)C 7a_100000211634_100011217483 [0,1,0,0,0,1|2,0,0]=4 4664 B14R1.148 CC(=CCCOc1cccc(c1)N)C 34a_100000210217_100011217483 [0,1,0,0,0,1|2,0,0]=4 4665 B14R1.148 CC(=O)CCCCc1cccc(c1)Br 1458a_200010160685_200000210301 [0,1,0,0,0,1|2,0,0]=4 4666 B14R1.148 CC(=O)CCCNc1cccc(c1)Br 34a_100000210019_100000685027 [0,1,0,0,0,1|2,0,0]=4 4667 B14R1.148 CC(=O)CCCNc1cccc(c1)C 34a_100000188690_100000685027 [0,1,0,0,0,1|2,0,0]=4 4668 B14R1.148 CC(=O)CCCNc1cccc(c1)Cl 34a_100000185859_100000685027 [0,1,0,0,0,1|2,0,0]=4 4669 B14R1.148 CC(=O)CCCNc1cccc(c1)F 34a_100000210047_100000685027 [0,1,0,0,0,1|2,0,0]=4 4670 B14R1.148 CC(=O)CCCNc1cccc(c1)I 34a_100000211102_100000685027 [0,1,0,0,0,1|2,0,0]=4 4671 B14R1.148 CC(=O)CCCNc1cccc(c1)O 34a_100000210217_100000685027 [0,1,0,0,0,1|2,0,0]=4 4672 B14R1.148 CC(=O)CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000685027 [0,1,0,0,0,1|2,0,0]=4 4673 B14R1.148 CC(=O)CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000685027 [0,1,0,0,0,1|2,0,0]=4 4674 B14R1.148 CC(=O)CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100011215641 [0,1,0,0,0,1|2,0,0]=4 4675 B14R1.148 CC(=O)CCCOc1cccc(=O)[nH]1 34a_100000033347_100000685027 [0,1,0,0,0,1|2,0,0]=4 4676 B14R1.148 CC(=O)CCCOc1cccc(c1)Br 34a_100000210342_100000685027 [0,1,0,0,0,1|1,0,0]=3 4677 B14R1.148 CC(=O)CCCOc1cccc(c1)Br 7a_100000210342_100011215641 [0,1,0,0,0,1|1,0,0]=3 4678 B14R1.148 CC(=O)CCCOc1cccc(c1)C 1458a_100000070787_100000212303 [0,1,0,0,0,1|1,0,0]=3 4679 B14R1.148 CC(=O)CCCOc1cccc(c1)C 1458a_100000183260_200000210301 [0,1,0,0,0,1|1,0,0]=3 4680 B14R1.148 CC(=O)CCCOc1cccc(c1)C 34a_100000210337_100000685027 [0,1,0,0,0,1|1,0,0]=3 4681 B14R1.148 CC(=O)CCCOc1cccc(c1)C 7a_100000210337_100011215641 [0,1,0,0,0,1|1,0,0]=3 4682 B14R1.148 CC(=O)CCCOc1cccc(c1)Cl 1458a_100000070787_100000742658 [0,1,0,0,0,1|1,0,0]=3 4683 B14R1.148 CC(=O)CCCOc1cccc(c1)Cl 34a_100000210295_100000685027 [0,1,0,0,0,1|1,0,0]=3 4684 B14R1.148 CC(=O)CCCOc1cccc(c1)Cl 7a_100000210295_100011215641 [0,1,0,0,0,1|1,0,0]=3 4685 B14R1.148 CC(=O)CCCOc1cccc(c1)F 34a_100000210426_100000685027 [0,1,0,0,0,1|1,0,0]=3 4686 B14R1.148 CC(=O)CCCOc1cccc(c1)F 7a_100000210426_100011215641 [0,1,0,0,0,1|1,0,0]=3 4687 B14R1.148 CC(=O)CCCOc1cccc(c1)I 34a_100000211634_100000685027 [0,1,0,0,0,1|1,0,0]=3 4688 B14R1.148 CC(=O)CCCOc1cccc(c1)I 7a_100000211634_100011215641 [0,1,0,0,0,1|1,0,0]=3 4689 B14R1.148 CC(=O)CCCOc1cccc(c1)N 34a_100000210217_100000685027 [0,1,0,0,0,1|1,0,0]=3 4690 B14R1.148 CC(=O)CCCOc1cccc(c1)O 1458a_200009913207_200000210301 [0,1,0,0,0,1|1,0,0]=3 4691 B14R1.148 CC(=O)CCCOc1cccc(n1)F 34a_100011432558_100000685027 [0,1,0,0,0,1|2,0,0]=4 4692 B14R1.148 CC(=O)CCCOc1ccnc(c1)C 34a_100000688365_100000685027 [0,1,0,0,0,1|2,0,0]=4 4693 B14R1.148 CC(=O)CCCOc1ccnc(c1)Cl 34a_100000762945_100000685027 [0,1,0,0,0,1|2,0,0]=4 4694 B14R1.148 CC(=O)CCCOc1ccnc(c1)F 34a_100000732698_100000685027 [0,1,0,0,0,1|2,0,0]=4 4695 B14R1.148 CC(=O)CCCOc1ccnc(c1)N 34a_100011834064_100000685027 [0,1,0,0,0,1|2,0,0]=4 4696 B14R1.148 CC(=O)CCCOc1cncc(c1)Br 34a_100000754920_100000685027 [0,1,0,0,0,1|2,0,0]=4 4697 B14R1.148 CC(=O)CCCOc1cncc(c1)Br 7a_100000754920_100011215641 [0,1,0,0,0,1|2,0,0]=4 4698 B14R1.148 CC(=O)CCCOc1cncc(c1)C 34a_100011830280_100000685027 [0,1,0,0,0,1|2,0,0]=4 4699 B14R1.148 CC(=O)CCCOc1cncc(c1)C 7a_100011830280_100011215641 [0,1,0,0,0,1|2,0,0]=4 4700 B14R1.148 CC(=O)CCCOc1cncc(c1)Cl 7a_100000032511_100011215641 [0,1,0,0,0,1|2,0,0]=4 4701 B14R1.148 CC(=O)CCCOc1cncc(c1)F 34a_100011830296_100000685027 [0,1,0,0,0,1|2,0,0]=4 4702 B14R1.148 CC(=O)CCCOc1cncc(c1)F 7a_100011830296_100011215641 [0,1,0,0,0,1|2,0,0]=4 4703 B14R1.148 CC(=O)CCCOc1cncc(c1)N 34a_100011997051_100000685027 [0,1,0,0,0,1|2,0,0]=4 4704 B14R1.148 CC(=O)CCCSc1cccc(c1)Br 62a_100000691529_100011215641 [0,1,0,0,0,1|1,1,0]=4 4705 B14R1.148 CC(=O)CCCSc1cccc(c1)Br 62a_100011215641_100000691529 [0,1,0,0,0,1|1,1,0]=4 4706 B14R1.148 CC(=O)CCCSc1cccc(c1)C 62a_100011215228_100011215641 [0,1,0,0,0,1|1,1,0]=4 4707 B14R1.148 CC(=O)CCCSc1cccc(c1)C 62a_100011215641_100011215228 [0,1,0,0,0,1|1,1,0]=4 4708 B14R1.148 CC(=O)CCCSc1cccc(c1)Cl 62a_100000699651_100011215641 [0,1,0,0,0,1|1,1,0]=4 4709 B14R1.148 CC(=O)CCCSc1cccc(c1)Cl 62a_100011215641_100000699651 [0,1,0,0,0,1|1,1,0]=4 4710 B14R1.148 CC(=O)CCCSc1cccc(c1)F 62a_100000685547_100011215641 [0,1,0,0,0,1|1,1,0]=4 4711 B14R1.148 CC(=O)CCCSc1cccc(c1)F 62a_100011215641_100000685547 [0,1,0,0,0,1|1,1,0]=4 4712 B14R1.148 CC(=O)CCCSc1cccc(c1)N 62a_100000210019_100011215641 [0,1,0,0,0,1|1,1,0]=4 4713 B14R1.148 CC(=O)CCCSc1cccc(c1)N 62a_100011215641_100000210019 [0,1,0,0,0,1|1,1,0]=4 4714 B14R1.148 CC(=O)CCCSc1cccc(c1)O 62a_100011215641_100000211634 [0,1,0,0,0,1|1,1,0]=4 4715 B14R1.148 CC(=O)CCCSc1cccc(c1)[S] 62a_100011215641_114929384022 [0,1,0,0,0,1|1,1,0]=4 4716 B14R1.148 CC(=O)CCCSc1cccc(c1)[S] 62a_114929384022_100011215641 [0,1,0,0,0,1|1,1,0]=4 4717 B14R1.148 CC(=O)CCOCc1cc(ccn1)Br 34a_100000759926_100010173614 [0,1,0,0,0,1|2,0,0]=4 4718 B14R1.148 CC(=O)CCOCc1cc(ccn1)Br 7a_100000759926_100010173614 [0,1,0,0,0,1|2,0,0]=4 4719 B14R1.148 CC(=O)CCOCc1cc(ccn1)C 34a_100000759926_100000718516 [0,1,0,0,0,1|2,0,0]=4 4720 B14R1.148 CC(=O)CCOCc1cc(ccn1)C 7a_100000759926_100000718516 [0,1,0,0,0,1|2,0,0]=4 4721 B14R1.148 CC(=O)CCOCc1cc(ccn1)Cl 34a_100000759926_100016988179 [0,1,0,0,0,1|2,0,0]=4 4722 B14R1.148 CC(=O)CCOCc1cc(ccn1)Cl 7a_100000759926_100016988179 [0,1,0,0,0,1|2,0,0]=4 4723 B14R1.148 CC(=O)CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000053229 [0,1,0,0,0,1|2,0,0]=4 4724 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 34a_100000759926_100000698116 [0,1,0,0,0,1|1,0,0]=3 4725 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 7a_100000687537_100000053229 [0,1,0,0,0,1|1,0,0]=3 4726 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 7a_100000759926_100000211773 [0,1,0,0,0,1|1,0,0]=3 4727 B14R1.148 CC(=O)CCOCc1cccc(c1)C 34a_100000759926_100000211840 [0,1,0,0,0,1|1,0,0]=3 4728 B14R1.148 CC(=O)CCOCc1cccc(c1)C 7a_100000759926_100000211840 [0,1,0,0,0,1|1,0,0]=3 4729 B14R1.148 CC(=O)CCOCc1cccc(c1)C 7a_100011217746_100000053229 [0,1,0,0,0,1|1,0,0]=3 4730 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 34a_100000759926_100000187163 [0,1,0,0,0,1|1,0,0]=3 4731 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 7a_100000241301_100000053229 [0,1,0,0,0,1|1,0,0]=3 4732 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 7a_100000759926_100000187163 [0,1,0,0,0,1|1,0,0]=3 4733 B14R1.148 CC(=O)CCOCc1cccc(c1)F 34a_100000759926_100000187166 [0,1,0,0,0,1|1,0,0]=3 4734 B14R1.148 CC(=O)CCOCc1cccc(c1)F 7a_100000210976_100000053229 [0,1,0,0,0,1|1,0,0]=3 4735 B14R1.148 CC(=O)CCOCc1cccc(c1)F 7a_100000759926_100000230114 [0,1,0,0,0,1|1,0,0]=3 4736 B14R1.148 CC(=O)CCOCc1cccc(c1)I 34a_100000759926_100011218688 [0,1,0,0,0,1|1,0,0]=3 4737 B14R1.148 CC(=O)CCOCc1cccc(c1)I 7a_100000759926_100011218688 [0,1,0,0,0,1|1,0,0]=3 4738 B14R1.148 CC(=O)CCOCc1cccc(c1)I 7a_100011215336_100000053229 [0,1,0,0,0,1|1,0,0]=3 4739 B14R1.148 CC(=O)CCOCc1cccc(c1)O 34a_100000759926_100011660834 [0,1,0,0,0,1|1,0,0]=3 4740 B14R1.148 CC(=O)CCOCc1cccc(c1)O 7a_100000759926_100000084143 [0,1,0,0,0,1|1,0,0]=3 4741 B14R1.148 CC(=O)CCOCc1cccc(n1)Br 34a_100000759926_100009889011 [0,1,0,0,0,1|2,0,0]=4 4742 B14R1.148 CC(=O)CCOCc1cccc(n1)Br 7a_100000759926_100009889011 [0,1,0,0,0,1|2,0,0]=4 4743 B14R1.148 CC(=O)CCOCc1cccc(n1)C 34a_100000759926_100000757606 [0,1,0,0,0,1|2,0,0]=4 4744 B14R1.148 CC(=O)CCOCc1cccc(n1)C 7a_100000759926_100000757606 [0,1,0,0,0,1|2,0,0]=4 4745 B14R1.148 CC(=O)CCOCc1cccc(n1)Cl 34a_100000759926_100000086093 [0,1,0,0,0,1|2,0,0]=4 4746 B14R1.148 CC(=O)CCOCc1cccc(n1)Cl 7a_100000759926_100000086093 [0,1,0,0,0,1|2,0,0]=4 4747 B14R1.148 CC(=O)CCOCc1cccc(n1)F 34a_100000759926_100009819644 [0,1,0,0,0,1|2,0,0]=4 4748 B14R1.148 CC(=O)CCOCc1cccc(n1)F 7a_100000759926_100009819644 [0,1,0,0,0,1|2,0,0]=4 4749 B14R1.148 CC(=O)CCOCc1ccnc(c1)Br 34a_100000759926_100010243470 [0,1,0,0,0,1|2,0,0]=4 4750 B14R1.148 CC(=O)CCOCc1ccnc(c1)Br 7a_100000759926_100010254460 [0,1,0,0,0,1|2,0,0]=4 4751 B14R1.148 CC(=O)CCOCc1ccnc(c1)Br 7a_100009814636_100000053229 [0,1,0,0,0,1|2,0,0]=4 4752 B14R1.148 CC(=O)CCOCc1ccnc(c1)C 34a_100000759926_200020672517 [0,1,0,0,0,1|2,0,0]=4 4753 B14R1.148 CC(=O)CCOCc1ccnc(c1)C 7a_100000759926_200020672517 [0,1,0,0,0,1|2,0,0]=4 4754 B14R1.148 CC(=O)CCOCc1ccnc(c1)Cl 34a_100000759926_100000764220 [0,1,0,0,0,1|2,0,0]=4 4755 B14R1.148 CC(=O)CCOCc1ccnc(c1)Cl 7a_100000759926_100000764220 [0,1,0,0,0,1|2,0,0]=4 4756 B14R1.148 CC(=O)CCOCc1cncc(c1)Br 34a_100000759926_100000738771 [0,1,0,0,0,1|2,0,0]=4 4757 B14R1.148 CC(=O)CCOCc1cncc(c1)Br 7a_100000759926_100000738771 [0,1,0,0,0,1|2,0,0]=4 4758 B14R1.148 CC(=O)CCOCc1cncc(c1)Br 7a_100011259137_100000053229 [0,1,0,0,0,1|2,0,0]=4 4759 B14R1.148 CC(=O)CCOCc1cncc(c1)C 34a_100000759926_100000716715 [0,1,0,0,0,1|2,0,0]=4 4760 B14R1.148 CC(=O)CCOCc1cncc(c1)C 7a_100000759926_100000716715 [0,1,0,0,0,1|2,0,0]=4 4761 B14R1.148 CC(=O)CCOCc1cncc(c1)C 7a_100011998709_100000053229 [0,1,0,0,0,1|2,0,0]=4 4762 B14R1.148 CC(=O)CCOCc1cncc(c1)Cl 34a_100000759926_100016992070 [0,1,0,0,0,1|2,0,0]=4 4763 B14R1.148 CC(=O)CCOCc1cncc(c1)Cl 7a_100000092867_100000053229 [0,1,0,0,0,1|2,0,0]=4 4764 B14R1.148 CC(=O)CCOCc1cncc(c1)Cl 7a_100000759926_100016992070 [0,1,0,0,0,1|2,0,0]=4 4765 B14R1.148 CC(=O)CCOCc1cncc(c1)F 34a_100000759926_100000725299 [0,1,0,0,0,1|2,0,0]=4 4766 B14R1.148 CC(=O)CCOCc1cncc(c1)F 7a_100000759926_100000725299 [0,1,0,0,0,1|2,0,0]=4 4767 B14R1.148 CC(=O)CCOCc1cncc(c1)F 7a_100011962875_100000053229 [0,1,0,0,0,1|2,0,0]=4 4768 B14R1.148 CC(=O)CCSCc1cccc(c1)Br 62a_100000053229_100000211773 [0,1,0,0,0,1|1,1,0]=4 4769 B14R1.148 CC(=O)CCSCc1cccc(c1)Br 62a_100000211773_100000053229 [0,1,0,0,0,1|1,1,0]=4 4770 B14R1.148 CC(=O)CCSCc1cccc(c1)C 62a_100000053229_100000211840 [0,1,0,0,0,1|1,1,0]=4 4771 B14R1.148 CC(=O)CCSCc1cccc(c1)C 62a_100000211840_100000053229 [0,1,0,0,0,1|1,1,0]=4 4772 B14R1.148 CC(=O)CCSCc1cccc(c1)Cl 62a_100000053229_100000187163 [0,1,0,0,0,1|1,1,0]=4 4773 B14R1.148 CC(=O)CCSCc1cccc(c1)Cl 62a_100000187163_100000053229 [0,1,0,0,0,1|1,1,0]=4 4774 B14R1.148 CC(=O)CCSCc1cccc(c1)F 62a_100000053229_100000230114 [0,1,0,0,0,1|1,1,0]=4 4775 B14R1.148 CC(=O)CCSCc1cccc(c1)F 62a_100000230114_100000053229 [0,1,0,0,0,1|1,1,0]=4 4776 B14R1.148 CC(=O)CCSCc1cccc(c1)I 62a_100000053229_100011218688 [0,1,0,0,0,1|1,1,0]=4 4777 B14R1.148 CC(=O)CCSCc1cccc(c1)I 62a_100011218688_100000053229 [0,1,0,0,0,1|1,1,0]=4 4778 B14R1.148 CC(=O)CCSCc1cccc(c1)O 62a_100000053229_100011660834 [0,1,0,0,0,1|1,1,0]=4 4779 B14R1.148 CC(=O)CCSCc1cccc(c1)O 62a_100011660834_100000053229 [0,1,0,0,0,1|1,1,0]=4 4780 B14R1.148 CC(=O)COCCc1cccc(c1)Br 34a_100000211253_100011740638 [0,1,0,0,0,1|2,0,0]=4 4781 B14R1.148 CC(=O)COCCc1cccc(c1)C 34a_100000211253_100011713685 [0,1,0,0,0,1|2,0,0]=4 4782 B14R1.148 CC(=O)COCCc1cccc(c1)Cl 34a_100000211253_100011713710 [0,1,0,0,0,1|2,0,0]=4 4783 B14R1.148 CC(=O)COCCc1cccc(c1)F 34a_100000211253_100011217235 [0,1,0,0,0,1|2,0,0]=4 4784 B14R1.148 CC(=O)NCCCc1cccc(c1)Br 11a_100000753791_100015343762 [0,1,0,0,0,1|2,0,0]=4 4785 B14R1.148 CC(=O)NCCCc1cccc(c1)Br 1626a_100000753791_100015343762 [0,1,0,0,0,1|2,0,0]=4 4786 B14R1.148 CC(=O)NCCCc1cccc(c1)Br 240690a_100000753791_100015343762 [0,1,0,0,0,1|2,0,0]=4 4787 B14R1.148 CC(=O)NCCCc1cccc(c1)Br 527a_100000753791_100103153847 [0,1,0,0,0,1|2,0,0]=4 4788 B14R1.148 CC(=O)NCCCc1cccc(c1)C 11a_103496528808_100015343762 [0,1,0,0,0,1|2,0,0]=4 4789 B14R1.148 CC(=O)NCCCc1cccc(c1)C 1626a_103496528808_100015343762 [0,1,0,0,0,1|2,0,0]=4 4790 B14R1.148 CC(=O)NCCCc1cccc(c1)C 240690a_103496528808_100015343762 [0,1,0,0,0,1|2,0,0]=4 4791 B14R1.148 CC(=O)NCCCc1cccc(c1)C 527a_103496528808_100103153847 [0,1,0,0,0,1|2,0,0]=4 4792 B14R1.148 CC(=O)NCCCc1cccc(c1)Cl 11a_100000704586_100015343762 [0,1,0,0,0,1|2,0,0]=4 4793 B14R1.148 CC(=O)NCCCc1cccc(c1)Cl 1626a_100000704586_100015343762 [0,1,0,0,0,1|2,0,0]=4 4794 B14R1.148 CC(=O)NCCCc1cccc(c1)Cl 240690a_100000704586_100015343762 [0,1,0,0,0,1|2,0,0]=4 4795 B14R1.148 CC(=O)NCCCc1cccc(c1)Cl 527a_100000704586_100103153847 [0,1,0,0,0,1|2,0,0]=4 4796 B14R1.148 CC(=O)NCCCc1cccc(c1)F 11a_100000754185_100015343762 [0,1,0,0,0,1|2,0,0]=4 4797 B14R1.148 CC(=O)NCCCc1cccc(c1)F 1626a_100000754185_100015343762 [0,1,0,0,0,1|2,0,0]=4 4798 B14R1.148 CC(=O)NCCCc1cccc(c1)F 240690a_100000754185_100015343762 [0,1,0,0,0,1|2,0,0]=4 4799 B14R1.148 CC(=O)NCCCc1cccc(c1)F 527a_100000754185_100103153847 [0,1,0,0,0,1|2,0,0]=4 4800 B14R1.148 CC(=O)NCCNc1cccc(c1)C 2230a_100000188690_100000189650 [0,1,0,0,0,1|2,0,0]=4 4801 B14R1.148 CC(=O)NCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000189650 [0,1,0,0,0,1|2,0,0]=4 4802 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 11a_100000743521_100015343762 [0,1,0,0,0,1|1,0,0]=3 4803 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 1626a_100000743521_100015343762 [0,1,0,0,0,1|1,0,0]=3 4804 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 240690a_100000743521_100015343762 [0,1,0,0,0,1|1,0,0]=3 4805 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 527a_100000743521_100103153847 [0,1,0,0,0,1|1,0,0]=3 4806 B14R1.148 CC(=O)NCCOc1cccc(c1)Br 7a_100000210342_100000189650 [0,1,0,0,0,1|1,0,0]=3 4807 B14R1.148 CC(=O)NCCOc1cccc(c1)C 11a_100015185188_100015343762 [0,1,0,0,0,1|1,0,0]=3 4808 B14R1.148 CC(=O)NCCOc1cccc(c1)C 1626a_100015185188_100015343762 [0,1,0,0,0,1|1,0,0]=3 4809 B14R1.148 CC(=O)NCCOc1cccc(c1)C 240690a_100015185188_100015343762 [0,1,0,0,0,1|1,0,0]=3 4810 B14R1.148 CC(=O)NCCOc1cccc(c1)C 527a_100015185188_100103153847 [0,1,0,0,0,1|1,0,0]=3 4811 B14R1.148 CC(=O)NCCOc1cccc(c1)C 7a_100000210337_100000189650 [0,1,0,0,0,1|1,0,0]=3 4812 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 11a_100000740232_100015343762 [0,1,0,0,0,1|1,0,0]=3 4813 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 1626a_100000740232_100015343762 [0,1,0,0,0,1|1,0,0]=3 4814 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 240690a_100000740232_100015343762 [0,1,0,0,0,1|1,0,0]=3 4815 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 527a_100000740232_100103153847 [0,1,0,0,0,1|1,0,0]=3 4816 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl 7a_100000210295_100000189650 [0,1,0,0,0,1|1,0,0]=3 4817 B14R1.148 CC(=O)NCCOc1cccc(c1)F 11a_100000738948_100015343762 [0,1,0,0,0,1|1,0,0]=3 4818 B14R1.148 CC(=O)NCCOc1cccc(c1)F 1626a_100000738948_100015343762 [0,1,0,0,0,1|1,0,0]=3 4819 B14R1.148 CC(=O)NCCOc1cccc(c1)F 240690a_100000738948_100015343762 [0,1,0,0,0,1|1,0,0]=3 4820 B14R1.148 CC(=O)NCCOc1cccc(c1)F 527a_100000738948_100103153847 [0,1,0,0,0,1|1,0,0]=3 4821 B14R1.148 CC(=O)NCCOc1cccc(c1)F 7a_100000210426_100000189650 [0,1,0,0,0,1|1,0,0]=3 4822 B14R1.148 CC(=O)NCCOc1cccc(c1)I 7a_100000211634_100000189650 [0,1,0,0,0,1|1,0,0]=3 4823 B14R1.148 CC(=O)NCCOc1cncc(c1)Br 7a_100000754920_100000189650 [0,1,0,0,0,1|2,0,0]=4 4824 B14R1.148 CC(=O)NCCOc1cncc(c1)C 7a_100011830280_100000189650 [0,1,0,0,0,1|2,0,0]=4 4825 B14R1.148 CC(=O)NCCOc1cncc(c1)Cl 7a_100000032511_100000189650 [0,1,0,0,0,1|2,0,0]=4 4826 B14R1.148 CC(=O)NCCOc1cncc(c1)F 7a_100011830296_100000189650 [0,1,0,0,0,1|2,0,0]=4 4827 B14R1.148 CC(=O)NCCSc1cccc(c1)Br 62a_100000189650_100000691529 [0,1,0,0,0,1|1,1,0]=4 4828 B14R1.148 CC(=O)NCCSc1cccc(c1)Br 62a_100000691529_100000189650 [0,1,0,0,0,1|1,1,0]=4 4829 B14R1.148 CC(=O)NCCSc1cccc(c1)C 62a_100000189650_100011215228 [0,1,0,0,0,1|1,1,0]=4 4830 B14R1.148 CC(=O)NCCSc1cccc(c1)C 62a_100011215228_100000189650 [0,1,0,0,0,1|1,1,0]=4 4831 B14R1.148 CC(=O)NCCSc1cccc(c1)Cl 62a_100000189650_100000699651 [0,1,0,0,0,1|1,1,0]=4 4832 B14R1.148 CC(=O)NCCSc1cccc(c1)Cl 62a_100000699651_100000189650 [0,1,0,0,0,1|1,1,0]=4 4833 B14R1.148 CC(=O)NCCSc1cccc(c1)F 62a_100000189650_100000685547 [0,1,0,0,0,1|1,1,0]=4 4834 B14R1.148 CC(=O)NCCSc1cccc(c1)F 62a_100000685547_100000189650 [0,1,0,0,0,1|1,1,0]=4 4835 B14R1.148 CC(=O)NCCSc1cccc(c1)N 62a_100000189650_100000210019 [0,1,0,0,0,1|1,1,0]=4 4836 B14R1.148 CC(=O)NCCSc1cccc(c1)N 62a_100000210019_100000189650 [0,1,0,0,0,1|1,1,0]=4 4837 B14R1.148 CC(=O)NCCSc1cccc(c1)O 62a_100000189650_100000211634 [0,1,0,0,0,1|1,1,0]=4 4838 B14R1.148 CC(=O)NCCSc1cccc(c1)[S] 62a_100000189650_114929384022 [0,1,0,0,0,1|1,1,0]=4 4839 B14R1.148 CC(=O)NCCSc1cccc(c1)[S] 62a_114929384022_100000189650 [0,1,0,0,0,1|1,1,0]=4 4840 B14R1.148 CC(=O)OCCNc1cccc(c1)Br 34a_100000210019_100009814007 [0,1,0,0,0,1|2,0,0]=4 4841 B14R1.148 CC(=O)OCCNc1cccc(c1)C 34a_100000188690_100009814007 [0,1,0,0,0,1|2,0,0]=4 4842 B14R1.148 CC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_100009814007 [0,1,0,0,0,1|2,0,0]=4 4843 B14R1.148 CC(=O)OCCNc1cccc(c1)F 34a_100000210047_100009814007 [0,1,0,0,0,1|2,0,0]=4 4844 B14R1.148 CC(=O)OCCNc1cccc(c1)I 34a_100000211102_100009814007 [0,1,0,0,0,1|2,0,0]=4 4845 B14R1.148 CC(=O)OCCNc1cccc(c1)O 34a_100000210217_100009814007 [0,1,0,0,0,1|2,0,0]=4 4846 B14R1.148 CC(=O)OCCOc1cc[nH]c(=O)c1 34a_100000032262_100009814007 [0,1,0,0,0,1|2,0,0]=4 4847 B14R1.148 CC(=O)OCCOc1ccc[n+](c1)[O-] 34a_100000039713_100009814007 [0,1,0,0,0,1|2,0,0]=4 4848 B14R1.148 CC(=O)OCCOc1ccc[n+](c1)[O-] 7a_100000039713_100009814007 [0,1,0,0,0,1|2,0,0]=4 4849 B14R1.148 CC(=O)OCCOc1cccc(=O)[nH]1 34a_100000033347_100009814007 [0,1,0,0,0,1|2,0,0]=4 4850 B14R1.148 CC(=O)OCCOc1cccc(c1)Br 34a_100000210342_100009814007 [0,1,0,0,0,1|1,0,0]=3 4851 B14R1.148 CC(=O)OCCOc1cccc(c1)Br 7a_100000210342_100009814007 [0,1,0,0,0,1|1,0,0]=3 4852 B14R1.148 CC(=O)OCCOc1cccc(c1)C 34a_100000210337_100009814007 [0,1,0,0,0,1|1,0,0]=3 4853 B14R1.148 CC(=O)OCCOc1cccc(c1)C 7a_100000210337_100009814007 [0,1,0,0,0,1|1,0,0]=3 4854 B14R1.148 CC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_100009814007 [0,1,0,0,0,1|1,0,0]=3 4855 B14R1.148 CC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_100009814007 [0,1,0,0,0,1|1,0,0]=3 4856 B14R1.148 CC(=O)OCCOc1cccc(c1)F 34a_100000210426_100009814007 [0,1,0,0,0,1|1,0,0]=3 4857 B14R1.148 CC(=O)OCCOc1cccc(c1)F 7a_100000210426_100009814007 [0,1,0,0,0,1|1,0,0]=3 4858 B14R1.148 CC(=O)OCCOc1cccc(c1)I 34a_100000211634_100009814007 [0,1,0,0,0,1|1,0,0]=3 4859 B14R1.148 CC(=O)OCCOc1cccc(c1)I 7a_100000211634_100009814007 [0,1,0,0,0,1|1,0,0]=3 4860 B14R1.148 CC(=O)OCCOc1cccc(c1)N 34a_100000210217_100009814007 [0,1,0,0,0,1|1,0,0]=3 4861 B14R1.148 CC(=O)OCCOc1cccc(n1)F 34a_100011432558_100009814007 [0,1,0,0,0,1|2,0,0]=4 4862 B14R1.148 CC(=O)OCCOc1ccnc(c1)C 34a_100000688365_100009814007 [0,1,0,0,0,1|2,0,0]=4 4863 B14R1.148 CC(=O)OCCOc1ccnc(c1)Cl 34a_100000762945_100009814007 [0,1,0,0,0,1|2,0,0]=4 4864 B14R1.148 CC(=O)OCCOc1ccnc(c1)F 34a_100000732698_100009814007 [0,1,0,0,0,1|2,0,0]=4 4865 B14R1.148 CC(=O)OCCOc1ccnc(c1)N 34a_100011834064_100009814007 [0,1,0,0,0,1|2,0,0]=4 4866 B14R1.148 CC(=O)OCCOc1cncc(c1)Br 34a_100000754920_100009814007 [0,1,0,0,0,1|2,0,0]=4 4867 B14R1.148 CC(=O)OCCOc1cncc(c1)Br 7a_100000754920_100009814007 [0,1,0,0,0,1|2,0,0]=4 4868 B14R1.148 CC(=O)OCCOc1cncc(c1)C 34a_100011830280_100009814007 [0,1,0,0,0,1|2,0,0]=4 4869 B14R1.148 CC(=O)OCCOc1cncc(c1)C 7a_100011830280_100009814007 [0,1,0,0,0,1|2,0,0]=4 4870 B14R1.148 CC(=O)OCCOc1cncc(c1)Cl 7a_100000032511_100009814007 [0,1,0,0,0,1|2,0,0]=4 4871 B14R1.148 CC(=O)OCCOc1cncc(c1)F 34a_100011830296_100009814007 [0,1,0,0,0,1|2,0,0]=4 4872 B14R1.148 CC(=O)OCCOc1cncc(c1)F 7a_100011830296_100009814007 [0,1,0,0,0,1|2,0,0]=4 4873 B14R1.148 CC(=O)OCCOc1cncc(c1)N 34a_100011997051_100009814007 [0,1,0,0,0,1|2,0,0]=4 4874 B14R1.148 CC(=O)OCCSc1cccc(c1)Br 62a_100000691529_100009814007 [0,1,0,0,0,1|1,1,0]=4 4875 B14R1.148 CC(=O)OCCSc1cccc(c1)Br 62a_100009814007_100000691529 [0,1,0,0,0,1|1,1,0]=4 4876 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100009814007_100011215228 [0,1,0,0,0,1|1,1,0]=4 4877 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100011215228_100009814007 [0,1,0,0,0,1|1,1,0]=4 4878 B14R1.148 CC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_100009814007 [0,1,0,0,0,1|1,1,0]=4 4879 B14R1.148 CC(=O)OCCSc1cccc(c1)Cl 62a_100009814007_100000699651 [0,1,0,0,0,1|1,1,0]=4 4880 B14R1.148 CC(=O)OCCSc1cccc(c1)F 62a_100000685547_100009814007 [0,1,0,0,0,1|1,1,0]=4 4881 B14R1.148 CC(=O)OCCSc1cccc(c1)F 62a_100009814007_100000685547 [0,1,0,0,0,1|1,1,0]=4 4882 B14R1.148 CC(=O)OCCSc1cccc(c1)N 62a_100000210019_100009814007 [0,1,0,0,0,1|1,1,0]=4 4883 B14R1.148 CC(=O)OCCSc1cccc(c1)N 62a_100009814007_100000210019 [0,1,0,0,0,1|1,1,0]=4 4884 B14R1.148 CC(=O)OCCSc1cccc(c1)O 62a_100009814007_100000211634 [0,1,0,0,0,1|1,1,0]=4 4885 B14R1.148 CC(=O)OCCSc1cccc(c1)[S] 62a_100009814007_114929384022 [0,1,0,0,0,1|1,1,0]=4 4886 B14R1.148 CC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_100009814007 [0,1,0,0,0,1|1,1,0]=4 4887 B14R1.148 CC(=O)OCOCc1cccc(c1)Br 34a_100000687537_100009813279 [0,1,0,0,0,1|2,0,0]=4 4888 B14R1.148 CC(=O)OCOCc1cccc(c1)C 34a_100011217746_100009813279 [0,1,0,0,0,1|2,0,0]=4 4889 B14R1.148 CC(=O)OCOCc1cccc(c1)Cl 34a_100000241301_100009813279 [0,1,0,0,0,1|2,0,0]=4 4890 B14R1.148 CC(=O)OCOCc1cccc(c1)F 34a_100000210976_100009813279 [0,1,0,0,0,1|2,0,0]=4 4891 B14R1.148 CC(=O)OCOCc1cccc(c1)I 34a_100011215336_100009813279 [0,1,0,0,0,1|2,0,0]=4 4892 B14R1.148 CC(=O)OCOCc1cccc(c1)N 34a_100000211919_100009813279 [0,1,0,0,0,1|2,0,0]=4 4893 B14R1.148 CC(O)CCCOc1cccc(c1)Br 34a_100000210342_200000718107 [0,1,0,0,0,1|1,0,1]=4 4894 B14R1.148 CC(O)CCCOc1cccc(c1)Br 7a_100000210342_200000718107 [0,1,0,0,0,1|1,0,1]=4 4895 B14R1.148 CC(O)CCCOc1cccc(c1)Cl 34a_100000210295_200000718107 [0,1,0,0,0,1|1,0,1]=4 4896 B14R1.148 CC(O)CCCOc1cccc(c1)Cl 7a_100000210295_200000718107 [0,1,0,0,0,1|1,0,1]=4 4897 B14R1.148 CC(O)CCCOc1cccc(c1)F 34a_100000210426_200000718107 [0,1,0,0,0,1|1,0,1]=4 4898 B14R1.148 CC(O)CCCOc1cccc(c1)F 7a_100000210426_200000718107 [0,1,0,0,0,1|1,0,1]=4 4899 B14R1.148 CC(O)CCCOc1cccc(c1)I 34a_100000211634_200000718107 [0,1,0,0,0,1|1,0,1]=4 4900 B14R1.148 CC(O)CCCOc1cccc(c1)I 7a_100000211634_200000718107 [0,1,0,0,0,1|1,0,1]=4 4901 B14R1.148 CC(O)CCCOc1cccc(c1)N 34a_100000210217_200000718107 [0,1,0,0,0,1|1,0,1]=4 4902 B14R1.148 CC(O)CCOCc1cccc(c1)Br 34a_100000687537_100012276601 [0,1,0,0,0,1|1,0,1]=4 4903 B14R1.148 CC(O)CCOCc1cccc(c1)Br 7a_100000687537_100012276601 [0,1,0,0,0,1|1,0,1]=4 4904 B14R1.148 CC(O)CCOCc1cccc(c1)Cl 34a_100000241301_100012276601 [0,1,0,0,0,1|1,0,1]=4 4905 B14R1.148 CC(O)CCOCc1cccc(c1)Cl 7a_100000241301_100012276601 [0,1,0,0,0,1|1,0,1]=4 4906 B14R1.148 CC(O)CCOCc1cccc(c1)F 34a_100000210976_100012276601 [0,1,0,0,0,1|1,0,1]=4 4907 B14R1.148 CC(O)CCOCc1cccc(c1)F 7a_100000210976_100012276601 [0,1,0,0,0,1|1,0,1]=4 4908 B14R1.148 CC(O)CCOCc1cccc(c1)I 34a_100011215336_100012276601 [0,1,0,0,0,1|1,0,1]=4 4909 B14R1.148 CC(O)CCOCc1cccc(c1)I 7a_100011215336_100012276601 [0,1,0,0,0,1|1,0,1]=4 4910 B14R1.148 CC(O)CCOCc1cccc(c1)N 34a_100000211919_100012276601 [0,1,0,0,0,1|1,0,1]=4 4911 B14R1.148 Cc1cc(ccn1)COCCC(=O)N 34a_100000757172_200020672517 [0,1,0,0,0,1|2,0,0]=4 4912 B14R1.148 Cc1cc(ccn1)COCCC(=O)N 34a_100011998630_100000731001 [0,1,0,0,0,1|2,0,0]=4 4913 B14R1.148 Cc1cc(ccn1)COCCC(=O)N 7a_100000757172_200020672517 [0,1,0,0,0,1|2,0,0]=4 4914 B14R1.148 Cc1cc(ccn1)OCCCC(=O)N 34a_100000688365_100102525003 [0,1,0,0,0,1|2,0,0]=4 4915 B14R1.148 Cc1cc(ccn1)OCCOC(=O)N 34a_100000688365_200011214921 [0,1,0,0,0,1|2,0,0]=4 4916 B14R1.148 Cc1cccc(c1)CCNCC(=O)N 2230a_100000711301_100011713685 [0,1,0,0,0,1|2,0,0]=4 4917 B14R1.148 Cc1cccc(c1)CCNCC(=O)N 2230a_100000749837_100000747473 [0,1,0,0,0,1|2,0,0]=4 4918 B14R1.148 Cc1cccc(c1)CCNCC(=O)N 34a_100000749837_100000187820 [0,1,0,0,0,1|2,0,0]=4 4919 B14R1.148 Cc1cccc(c1)CCNCC(=O)O 269956a_100016091260_100011713685 [0,1,0,0,0,1|1,0,0]=3 4920 B14R1.148 Cc1cccc(c1)CCNCC(=O)[O-] 34a_100000749837_100020667443 [0,1,0,0,0,1|1,0,1]=4 4921 B14R1.148 Cc1cccc(c1)CCOCC(=O)N 34a_100011217157_100000187820 [0,1,0,0,0,1|2,0,0]=4 4922 B14R1.148 Cc1cccc(c1)CCOCC(=O)N 7a_100011217157_100000187820 [0,1,0,0,0,1|2,0,0]=4 4923 B14R1.148 Cc1cccc(c1)CCOCC(=O)[O-] 34a_100011217157_100020667443 [0,1,0,0,0,1|1,0,1]=4 4924 B14R1.148 Cc1cccc(c1)CCSCC(=O)N 62a_100000747473_100011713685 [0,1,0,0,0,1|2,0,0]=4 4925 B14R1.148 Cc1cccc(c1)CCSCC(=O)N 62a_100011713685_100000747473 [0,1,0,0,0,1|2,0,0]=4 4926 B14R1.148 Cc1cccc(c1)CCSCC(=O)[O-] 62a_100011713685_100020667443 [0,1,0,0,0,1|1,0,1]=4 4927 B14R1.148 Cc1cccc(c1)CCSCC(=O)[O-] 62a_100020667443_100011713685 [0,1,0,0,0,1|1,0,1]=4 4928 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 207a_100000740010_100000211157 [0,1,0,0,0,1|2,0,0]=4 4929 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 2230a_100000185548_100000744528 [0,1,0,0,0,1|2,0,0]=4 4930 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 34a_100000185548_100000731001 [0,1,0,0,0,1|2,0,0]=4 4931 B14R1.148 Cc1cccc(c1)CNOCC(=O)O 269956a_100000106656_100000005736 [0,1,0,0,0,1|2,0,0]=4 4932 B14R1.148 Cc1cccc(c1)COCCC(=O)N 34a_100000757172_100000211840 [0,1,0,0,0,1|1,0,0]=3 4933 B14R1.148 Cc1cccc(c1)COCCC(=O)N 34a_100011217746_100000731001 [0,1,0,0,0,1|1,0,0]=3 4934 B14R1.148 Cc1cccc(c1)COCCC(=O)N 7a_100000757172_100000211840 [0,1,0,0,0,1|1,0,0]=3 4935 B14R1.148 Cc1cccc(c1)COCCC(=O)N 7a_100011217746_100000744528 [0,1,0,0,0,1|1,0,0]=3 4936 B14R1.148 Cc1cccc(c1)COCCC(C)O 34a_100011217746_100012276601 [0,1,0,0,0,1|1,0,1]=4 4937 B14R1.148 Cc1cccc(c1)COCCC(C)O 7a_100011217746_100012276601 [0,1,0,0,0,1|1,0,1]=4 4938 B14R1.148 Cc1cccc(c1)CSCCC(=O)N 62a_100000211840_100000744528 [0,1,0,0,0,1|1,1,0]=4 4939 B14R1.148 Cc1cccc(c1)CSCCC(=O)N 62a_100000744528_100000211840 [0,1,0,0,0,1|1,1,0]=4 4940 B14R1.148 Cc1cccc(c1)NCCCC(=O)N 34a_100000188690_100102525003 [0,1,0,0,0,1|2,0,0]=4 4941 B14R1.148 Cc1cccc(c1)NCCNC(=O)N 2230a_100000188690_200000034859 [0,1,0,0,0,1|2,0,0]=4 4942 B14R1.148 Cc1cccc(c1)NCCOC(=O)N 34a_100000188690_200011214921 [0,1,0,0,0,1|2,0,0]=4 4943 B14R1.148 Cc1cccc(c1)OCCC=C(F)F 34a_100000210337_200009816681 [0,1,0,0,0,1|2,0,0]=4 4944 B14R1.148 Cc1cccc(c1)OCCC=C(F)F 7a_100000210337_200009816681 [0,1,0,0,0,1|2,0,0]=4 4945 B14R1.148 Cc1cccc(c1)OCCCC(=O)N 34a_100000210337_100102525003 [0,1,0,0,0,1|1,0,0]=3 4946 B14R1.148 Cc1cccc(c1)OCCCC(=O)N 7a_100000210337_100102525003 [0,1,0,0,0,1|1,0,0]=3 4947 B14R1.148 Cc1cccc(c1)OCCCC(=O)[13CH3] 1458a_100000183260_200025704644 [0,1,0,0,0,1|1,0,0]=3 4948 B14R1.148 Cc1cccc(c1)OCCCC(C)O 34a_100000210337_200000718107 [0,1,0,0,0,1|1,0,1]=4 4949 B14R1.148 Cc1cccc(c1)OCCCC(C)O 7a_100000210337_200000718107 [0,1,0,0,0,1|1,0,1]=4 4950 B14R1.148 Cc1cccc(c1)OCCNC(=O)N 7a_100000210337_200000034859 [0,1,0,0,0,1|1,0,0]=3 4951 B14R1.148 Cc1cccc(c1)OCCOC(=O)N 34a_100000210337_200011214921 [0,1,0,0,0,1|1,0,0]=3 4952 B14R1.148 Cc1cccc(c1)OCCOC(=O)N 7a_100000210337_200011214921 [0,1,0,0,0,1|1,0,0]=3 4953 B14R1.148 Cc1cccc(c1)SCCCC(=O)N 62a_100011215228_100102525003 [0,1,0,0,0,1|1,1,0]=4 4954 B14R1.148 Cc1cccc(c1)SCCCC(=O)N 62a_100102525003_100011215228 [0,1,0,0,0,1|1,1,0]=4 4955 B14R1.148 Cc1cccc(c1)SCCNC(=O)N 62a_100011215228_200000034859 [0,1,0,0,0,1|1,1,0]=4 4956 B14R1.148 Cc1cccc(c1)SCCNC(=O)N 62a_200000034859_100011215228 [0,1,0,0,0,1|1,1,0]=4 4957 B14R1.148 Cc1cccc(c1)SCCOC(=O)N 62a_100011215228_200011214921 [0,1,0,0,0,1|1,1,0]=4 4958 B14R1.148 Cc1cccc(c1)SCCOC(=O)N 62a_200011214921_100011215228 [0,1,0,0,0,1|1,1,0]=4 4959 B14R1.148 Cc1cccc(n1)COCCC(=O)N 34a_100000690600_100000731001 [0,1,0,0,0,1|2,0,0]=4 4960 B14R1.148 Cc1cccc(n1)COCCC(=O)N 34a_100000757172_100000757606 [0,1,0,0,0,1|2,0,0]=4 4961 B14R1.148 Cc1cccc(n1)COCCC(=O)N 7a_100000757172_100000757606 [0,1,0,0,0,1|2,0,0]=4 4962 B14R1.148 Cc1ccnc(c1)COCCC(=O)N 34a_100000757172_100000718516 [0,1,0,0,0,1|2,0,0]=4 4963 B14R1.148 Cc1ccnc(c1)COCCC(=O)N 34a_100011998357_100000731001 [0,1,0,0,0,1|2,0,0]=4 4964 B14R1.148 Cc1ccnc(c1)COCCC(=O)N 7a_100000757172_100000718516 [0,1,0,0,0,1|2,0,0]=4 4965 B14R1.148 Cc1cncc(c1)COCCC(=O)N 34a_100000757172_100000716715 [0,1,0,0,0,1|2,0,0]=4 4966 B14R1.148 Cc1cncc(c1)COCCC(=O)N 34a_100011998709_100000731001 [0,1,0,0,0,1|2,0,0]=4 4967 B14R1.148 Cc1cncc(c1)COCCC(=O)N 7a_100000757172_100000716715 [0,1,0,0,0,1|2,0,0]=4 4968 B14R1.148 Cc1cncc(c1)COCCC(=O)N 7a_100011998709_100000744528 [0,1,0,0,0,1|2,0,0]=4 4969 B14R1.148 Cc1cncc(c1)OCCCC(=O)N 34a_100011830280_100102525003 [0,1,0,0,0,1|2,0,0]=4 4970 B14R1.148 Cc1cncc(c1)OCCCC(=O)N 7a_100011830280_100102525003 [0,1,0,0,0,1|2,0,0]=4 4971 B14R1.148 Cc1cncc(c1)OCCNC(=O)N 7a_100011830280_200000034859 [0,1,0,0,0,1|2,0,0]=4 4972 B14R1.148 Cc1cncc(c1)OCCOC(=O)N 34a_100011830280_200011214921 [0,1,0,0,0,1|2,0,0]=4 4973 B14R1.148 Cc1cncc(c1)OCCOC(=O)N 7a_100011830280_200011214921 [0,1,0,0,0,1|2,0,0]=4 4974 B14R1.148 FC(=CCCOc1cccc(c1)Br)F 34a_100000210342_200009816681 [0,1,0,0,0,1|2,0,0]=4 4975 B14R1.148 FC(=CCCOc1cccc(c1)Br)F 7a_100000210342_200009816681 [0,1,0,0,0,1|2,0,0]=4 4976 B14R1.148 FC(=CCCOc1cccc(c1)Cl)F 34a_100000210295_200009816681 [0,1,0,0,0,1|2,0,0]=4 4977 B14R1.148 FC(=CCCOc1cccc(c1)Cl)F 7a_100000210295_200009816681 [0,1,0,0,0,1|2,0,0]=4 4978 B14R1.148 FC(=CCCOc1cccc(c1)F)F 34a_100000210426_200009816681 [0,1,0,0,0,1|2,0,0]=4 4979 B14R1.148 FC(=CCCOc1cccc(c1)F)F 7a_100000210426_200009816681 [0,1,0,0,0,1|2,0,0]=4 4980 B14R1.148 FC(=CCCOc1cccc(c1)I)F 34a_100000211634_200009816681 [0,1,0,0,0,1|2,0,0]=4 4981 B14R1.148 FC(=CCCOc1cccc(c1)I)F 7a_100000211634_200009816681 [0,1,0,0,0,1|2,0,0]=4 4982 B14R1.148 NC(=O)CCCNc1cccc(c1)Br 34a_100000210019_100102525003 [0,1,0,0,0,1|2,0,0]=4 4983 B14R1.148 NC(=O)CCCNc1cccc(c1)Cl 34a_100000185859_100102525003 [0,1,0,0,0,1|2,0,0]=4 4984 B14R1.148 NC(=O)CCCNc1cccc(c1)F 34a_100000210047_100102525003 [0,1,0,0,0,1|2,0,0]=4 4985 B14R1.148 NC(=O)CCCNc1cccc(c1)I 34a_100000211102_100102525003 [0,1,0,0,0,1|2,0,0]=4 4986 B14R1.148 NC(=O)CCCNc1cccc(c1)O 34a_100000210217_100102525003 [0,1,0,0,0,1|2,0,0]=4 4987 B14R1.148 NC(=O)CCCOc1cc[nH]c(=O)c1 34a_100000032262_100102525003 [0,1,0,0,0,1|2,0,0]=4 4988 B14R1.148 NC(=O)CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100102525003 [0,1,0,0,0,1|2,0,0]=4 4989 B14R1.148 NC(=O)CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100102525003 [0,1,0,0,0,1|2,0,0]=4 4990 B14R1.148 NC(=O)CCCOc1cccc(=O)[nH]1 34a_100000033347_100102525003 [0,1,0,0,0,1|2,0,0]=4 4991 B14R1.148 NC(=O)CCCOc1cccc(c1)Br 34a_100000210342_100102525003 [0,1,0,0,0,1|1,0,0]=3 4992 B14R1.148 NC(=O)CCCOc1cccc(c1)Br 7a_100000210342_100102525003 [0,1,0,0,0,1|1,0,0]=3 4993 B14R1.148 NC(=O)CCCOc1cccc(c1)Cl 34a_100000210295_100102525003 [0,1,0,0,0,1|1,0,0]=3 4994 B14R1.148 NC(=O)CCCOc1cccc(c1)Cl 7a_100000210295_100102525003 [0,1,0,0,0,1|1,0,0]=3 4995 B14R1.148 NC(=O)CCCOc1cccc(c1)F 34a_100000210426_100102525003 [0,1,0,0,0,1|1,0,0]=3 4996 B14R1.148 NC(=O)CCCOc1cccc(c1)F 7a_100000210426_100102525003 [0,1,0,0,0,1|1,0,0]=3 4997 B14R1.148 NC(=O)CCCOc1cccc(c1)I 34a_100000211634_100102525003 [0,1,0,0,0,1|1,0,0]=3 4998 B14R1.148 NC(=O)CCCOc1cccc(c1)I 7a_100000211634_100102525003 [0,1,0,0,0,1|1,0,0]=3 4999 B14R1.148 NC(=O)CCCOc1cccc(c1)N 34a_100000210217_100102525003 [0,1,0,0,0,1|1,0,0]=3 5000 B14R1.148 NC(=O)CCCOc1cccc(n1)F 34a_100011432558_100102525003 [0,1,0,0,0,1|2,0,0]=4 5001 B14R1.148 NC(=O)CCCOc1ccnc(c1)Cl 34a_100000762945_100102525003 [0,1,0,0,0,1|2,0,0]=4 5002 B14R1.148 NC(=O)CCCOc1ccnc(c1)F 34a_100000732698_100102525003 [0,1,0,0,0,1|2,0,0]=4 5003 B14R1.148 NC(=O)CCCOc1ccnc(c1)N 34a_100011834064_100102525003 [0,1,0,0,0,1|2,0,0]=4 5004 B14R1.148 NC(=O)CCCOc1cncc(c1)Br 34a_100000754920_100102525003 [0,1,0,0,0,1|2,0,0]=4 5005 B14R1.148 NC(=O)CCCOc1cncc(c1)Br 7a_100000754920_100102525003 [0,1,0,0,0,1|2,0,0]=4 5006 B14R1.148 NC(=O)CCCOc1cncc(c1)Cl 7a_100000032511_100102525003 [0,1,0,0,0,1|2,0,0]=4 5007 B14R1.148 NC(=O)CCCOc1cncc(c1)F 34a_100011830296_100102525003 [0,1,0,0,0,1|2,0,0]=4 5008 B14R1.148 NC(=O)CCCOc1cncc(c1)F 7a_100011830296_100102525003 [0,1,0,0,0,1|2,0,0]=4 5009 B14R1.148 NC(=O)CCCOc1cncc(c1)N 34a_100011997051_100102525003 [0,1,0,0,0,1|2,0,0]=4 5010 B14R1.148 NC(=O)CCCSc1cccc(c1)Br 62a_100000691529_100102525003 [0,1,0,0,0,1|1,1,0]=4 5011 B14R1.148 NC(=O)CCCSc1cccc(c1)Br 62a_100102525003_100000691529 [0,1,0,0,0,1|1,1,0]=4 5012 B14R1.148 NC(=O)CCCSc1cccc(c1)Cl 62a_100000699651_100102525003 [0,1,0,0,0,1|1,1,0]=4 5013 B14R1.148 NC(=O)CCCSc1cccc(c1)Cl 62a_100102525003_100000699651 [0,1,0,0,0,1|1,1,0]=4 5014 B14R1.148 NC(=O)CCCSc1cccc(c1)F 62a_100000685547_100102525003 [0,1,0,0,0,1|1,1,0]=4 5015 B14R1.148 NC(=O)CCCSc1cccc(c1)F 62a_100102525003_100000685547 [0,1,0,0,0,1|1,1,0]=4 5016 B14R1.148 NC(=O)CCCSc1cccc(c1)N 62a_100000210019_100102525003 [0,1,0,0,0,1|1,1,0]=4 5017 B14R1.148 NC(=O)CCCSc1cccc(c1)N 62a_100102525003_100000210019 [0,1,0,0,0,1|1,1,0]=4 5018 B14R1.148 NC(=O)CCCSc1cccc(c1)O 62a_100102525003_100000211634 [0,1,0,0,0,1|1,1,0]=4 5019 B14R1.148 NC(=O)CCCSc1cccc(c1)[S] 62a_100102525003_114929384022 [0,1,0,0,0,1|1,1,0]=4 5020 B14R1.148 NC(=O)CCCSc1cccc(c1)[S] 62a_114929384022_100102525003 [0,1,0,0,0,1|1,1,0]=4 5021 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 207a_100000740010_100000210085 [0,1,0,0,0,1|2,0,0]=4 5022 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 2230a_100000174977_100000744528 [0,1,0,0,0,1|2,0,0]=4 5023 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 34a_100000174977_100000731001 [0,1,0,0,0,1|2,0,0]=4 5024 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 207a_100000740010_100000210801 [0,1,0,0,0,1|2,0,0]=4 5025 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 2230a_100000174878_100000744528 [0,1,0,0,0,1|2,0,0]=4 5026 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 34a_100000174878_100000731001 [0,1,0,0,0,1|2,0,0]=4 5027 B14R1.148 NC(=O)CCNCc1cccc(c1)F 207a_100000740010_100000210812 [0,1,0,0,0,1|2,0,0]=4 5028 B14R1.148 NC(=O)CCNCc1cccc(c1)F 2230a_100000174948_100000744528 [0,1,0,0,0,1|2,0,0]=4 5029 B14R1.148 NC(=O)CCNCc1cccc(c1)F 34a_100000174948_100000731001 [0,1,0,0,0,1|2,0,0]=4 5030 B14R1.148 NC(=O)CCNCc1cccc(c1)I 207a_100000740010_100000014684 [0,1,0,0,0,1|2,0,0]=4 5031 B14R1.148 NC(=O)CCNCc1cccc(c1)I 2230a_100000106179_100000744528 [0,1,0,0,0,1|2,0,0]=4 5032 B14R1.148 NC(=O)CCNCc1cccc(c1)I 34a_100000106179_100000731001 [0,1,0,0,0,1|2,0,0]=4 5033 B14R1.148 NC(=O)CCNCc1cccc(c1)O 207a_100000740010_100000188321 [0,1,0,0,0,1|2,0,0]=4 5034 B14R1.148 NC(=O)CCNCc1cccc(c1)O 2230a_100000743036_100000744528 [0,1,0,0,0,1|2,0,0]=4 5035 B14R1.148 NC(=O)CCNCc1cccc(c1)O 34a_100000743036_100000731001 [0,1,0,0,0,1|2,0,0]=4 5036 B14R1.148 NC(=O)CCOCc1cc(ccn1)Br 34a_100000757172_100010173614 [0,1,0,0,0,1|2,0,0]=4 5037 B14R1.148 NC(=O)CCOCc1cc(ccn1)Br 7a_100000757172_100010173614 [0,1,0,0,0,1|2,0,0]=4 5038 B14R1.148 NC(=O)CCOCc1cc(ccn1)Cl 34a_100000748867_100000731001 [0,1,0,0,0,1|2,0,0]=4 5039 B14R1.148 NC(=O)CCOCc1cc(ccn1)Cl 34a_100000757172_100016988179 [0,1,0,0,0,1|2,0,0]=4 5040 B14R1.148 NC(=O)CCOCc1cc(ccn1)Cl 7a_100000757172_100016988179 [0,1,0,0,0,1|2,0,0]=4 5041 B14R1.148 NC(=O)CCOCc1cc(ccn1)N 34a_100000692640_100000731001 [0,1,0,0,0,1|2,0,0]=4 5042 B14R1.148 NC(=O)CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000731001 [0,1,0,0,0,1|2,0,0]=4 5043 B14R1.148 NC(=O)CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000744528 [0,1,0,0,0,1|2,0,0]=4 5044 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 34a_100000687537_100000731001 [0,1,0,0,0,1|1,0,0]=3 5045 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 34a_100000757172_100000698116 [0,1,0,0,0,1|1,0,0]=3 5046 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 7a_100000687537_100000744528 [0,1,0,0,0,1|1,0,0]=3 5047 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 7a_100000757172_100000211773 [0,1,0,0,0,1|1,0,0]=3 5048 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 34a_100000241301_100000731001 [0,1,0,0,0,1|1,0,0]=3 5049 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 34a_100000757172_100000187163 [0,1,0,0,0,1|1,0,0]=3 5050 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 7a_100000241301_100000744528 [0,1,0,0,0,1|1,0,0]=3 5051 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 7a_100000757172_100000187163 [0,1,0,0,0,1|1,0,0]=3 5052 B14R1.148 NC(=O)CCOCc1cccc(c1)F 34a_100000210976_100000731001 [0,1,0,0,0,1|1,0,0]=3 5053 B14R1.148 NC(=O)CCOCc1cccc(c1)F 34a_100000757172_100000187166 [0,1,0,0,0,1|1,0,0]=3 5054 B14R1.148 NC(=O)CCOCc1cccc(c1)F 7a_100000210976_100000744528 [0,1,0,0,0,1|1,0,0]=3 5055 B14R1.148 NC(=O)CCOCc1cccc(c1)F 7a_100000757172_100000230114 [0,1,0,0,0,1|1,0,0]=3 5056 B14R1.148 NC(=O)CCOCc1cccc(c1)I 34a_100000757172_100011218688 [0,1,0,0,0,1|1,0,0]=3 5057 B14R1.148 NC(=O)CCOCc1cccc(c1)I 34a_100011215336_100000731001 [0,1,0,0,0,1|1,0,0]=3 5058 B14R1.148 NC(=O)CCOCc1cccc(c1)I 7a_100000757172_100011218688 [0,1,0,0,0,1|1,0,0]=3 5059 B14R1.148 NC(=O)CCOCc1cccc(c1)I 7a_100011215336_100000744528 [0,1,0,0,0,1|1,0,0]=3 5060 B14R1.148 NC(=O)CCOCc1cccc(c1)N 34a_100000211919_100000731001 [0,1,0,0,0,1|1,0,0]=3 5061 B14R1.148 NC(=O)CCOCc1cccc(c1)O 34a_100000757172_100011660834 [0,1,0,0,0,1|1,0,0]=3 5062 B14R1.148 NC(=O)CCOCc1cccc(c1)O 7a_100000757172_100000084143 [0,1,0,0,0,1|1,0,0]=3 5063 B14R1.148 NC(=O)CCOCc1cccc(n1)Br 34a_100000694195_100000731001 [0,1,0,0,0,1|2,0,0]=4 5064 B14R1.148 NC(=O)CCOCc1cccc(n1)Br 34a_100000757172_100009889011 [0,1,0,0,0,1|2,0,0]=4 5065 B14R1.148 NC(=O)CCOCc1cccc(n1)Br 7a_100000757172_100009889011 [0,1,0,0,0,1|2,0,0]=4 5066 B14R1.148 NC(=O)CCOCc1cccc(n1)Cl 34a_100000757172_100000086093 [0,1,0,0,0,1|2,0,0]=4 5067 B14R1.148 NC(=O)CCOCc1cccc(n1)Cl 34a_100011998359_100000731001 [0,1,0,0,0,1|2,0,0]=4 5068 B14R1.148 NC(=O)CCOCc1cccc(n1)Cl 7a_100000757172_100000086093 [0,1,0,0,0,1|2,0,0]=4 5069 B14R1.148 NC(=O)CCOCc1cccc(n1)F 34a_100000086748_100000731001 [0,1,0,0,0,1|2,0,0]=4 5070 B14R1.148 NC(=O)CCOCc1cccc(n1)F 34a_100000757172_100009819644 [0,1,0,0,0,1|2,0,0]=4 5071 B14R1.148 NC(=O)CCOCc1cccc(n1)F 7a_100000757172_100009819644 [0,1,0,0,0,1|2,0,0]=4 5072 B14R1.148 NC(=O)CCOCc1ccnc(c1)Br 34a_100000757172_100010243470 [0,1,0,0,0,1|2,0,0]=4 5073 B14R1.148 NC(=O)CCOCc1ccnc(c1)Br 34a_100009814636_100000731001 [0,1,0,0,0,1|2,0,0]=4 5074 B14R1.148 NC(=O)CCOCc1ccnc(c1)Br 7a_100000757172_100010254460 [0,1,0,0,0,1|2,0,0]=4 5075 B14R1.148 NC(=O)CCOCc1ccnc(c1)Br 7a_100009814636_100000744528 [0,1,0,0,0,1|2,0,0]=4 5076 B14R1.148 NC(=O)CCOCc1ccnc(c1)Cl 34a_100000748751_100000731001 [0,1,0,0,0,1|2,0,0]=4 5077 B14R1.148 NC(=O)CCOCc1ccnc(c1)Cl 34a_100000757172_100000764220 [0,1,0,0,0,1|2,0,0]=4 5078 B14R1.148 NC(=O)CCOCc1ccnc(c1)Cl 7a_100000757172_100000764220 [0,1,0,0,0,1|2,0,0]=4 5079 B14R1.148 NC(=O)CCOCc1ccnc(c1)F 34a_100000082451_100000731001 [0,1,0,0,0,1|2,0,0]=4 5080 B14R1.148 NC(=O)CCOCc1cncc(c1)Br 34a_100000757172_100000738771 [0,1,0,0,0,1|2,0,0]=4 5081 B14R1.148 NC(=O)CCOCc1cncc(c1)Br 34a_100011259137_100000731001 [0,1,0,0,0,1|2,0,0]=4 5082 B14R1.148 NC(=O)CCOCc1cncc(c1)Br 7a_100000757172_100000738771 [0,1,0,0,0,1|2,0,0]=4 5083 B14R1.148 NC(=O)CCOCc1cncc(c1)Br 7a_100011259137_100000744528 [0,1,0,0,0,1|2,0,0]=4 5084 B14R1.148 NC(=O)CCOCc1cncc(c1)Cl 34a_100000092867_100000731001 [0,1,0,0,0,1|2,0,0]=4 5085 B14R1.148 NC(=O)CCOCc1cncc(c1)Cl 34a_100000757172_100016992070 [0,1,0,0,0,1|2,0,0]=4 5086 B14R1.148 NC(=O)CCOCc1cncc(c1)Cl 7a_100000092867_100000744528 [0,1,0,0,0,1|2,0,0]=4 5087 B14R1.148 NC(=O)CCOCc1cncc(c1)Cl 7a_100000757172_100016992070 [0,1,0,0,0,1|2,0,0]=4 5088 B14R1.148 NC(=O)CCOCc1cncc(c1)F 34a_100000757172_100000725299 [0,1,0,0,0,1|2,0,0]=4 5089 B14R1.148 NC(=O)CCOCc1cncc(c1)F 34a_100011962875_100000731001 [0,1,0,0,0,1|2,0,0]=4 5090 B14R1.148 NC(=O)CCOCc1cncc(c1)F 7a_100000757172_100000725299 [0,1,0,0,0,1|2,0,0]=4 5091 B14R1.148 NC(=O)CCOCc1cncc(c1)F 7a_100011962875_100000744528 [0,1,0,0,0,1|2,0,0]=4 5092 B14R1.148 NC(=O)CCOCc1cncc(c1)N 34a_100000085308_100000731001 [0,1,0,0,0,1|2,0,0]=4 5093 B14R1.148 NC(=O)CCSCc1cccc(c1)Br 62a_100000211773_100000744528 [0,1,0,0,0,1|1,1,0]=4 5094 B14R1.148 NC(=O)CCSCc1cccc(c1)Br 62a_100000744528_100000211773 [0,1,0,0,0,1|1,1,0]=4 5095 B14R1.148 NC(=O)CCSCc1cccc(c1)Cl 62a_100000187163_100000744528 [0,1,0,0,0,1|1,1,0]=4 5096 B14R1.148 NC(=O)CCSCc1cccc(c1)Cl 62a_100000744528_100000187163 [0,1,0,0,0,1|1,1,0]=4 5097 B14R1.148 NC(=O)CCSCc1cccc(c1)F 62a_100000230114_100000744528 [0,1,0,0,0,1|1,1,0]=4 5098 B14R1.148 NC(=O)CCSCc1cccc(c1)F 62a_100000744528_100000230114 [0,1,0,0,0,1|1,1,0]=4 5099 B14R1.148 NC(=O)CCSCc1cccc(c1)I 62a_100000744528_100011218688 [0,1,0,0,0,1|1,1,0]=4 5100 B14R1.148 NC(=O)CCSCc1cccc(c1)I 62a_100011218688_100000744528 [0,1,0,0,0,1|1,1,0]=4 5101 B14R1.148 NC(=O)CCSCc1cccc(c1)O 62a_100000744528_100011660834 [0,1,0,0,0,1|1,1,0]=4 5102 B14R1.148 NC(=O)CCSCc1cccc(c1)O 62a_100011660834_100000744528 [0,1,0,0,0,1|1,1,0]=4 5103 B14R1.148 NC(=O)CNCCc1cccc(c1)Br 2230a_100000711301_100011740638 [0,1,0,0,0,1|2,0,0]=4 5104 B14R1.148 NC(=O)CNCCc1cccc(c1)Br 2230a_100011207229_100000747473 [0,1,0,0,0,1|2,0,0]=4 5105 B14R1.148 NC(=O)CNCCc1cccc(c1)Br 34a_100011207229_100000187820 [0,1,0,0,0,1|2,0,0]=4 5106 B14R1.148 NC(=O)CNCCc1cccc(c1)Cl 2230a_100000185263_100000747473 [0,1,0,0,0,1|2,0,0]=4 5107 B14R1.148 NC(=O)CNCCc1cccc(c1)Cl 2230a_100000711301_100011713710 [0,1,0,0,0,1|2,0,0]=4 5108 B14R1.148 NC(=O)CNCCc1cccc(c1)Cl 34a_100000185263_100000187820 [0,1,0,0,0,1|2,0,0]=4 5109 B14R1.148 NC(=O)CNCCc1cccc(c1)F 2230a_100000205154_100000747473 [0,1,0,0,0,1|2,0,0]=4 5110 B14R1.148 NC(=O)CNCCc1cccc(c1)F 2230a_100000711301_100011217235 [0,1,0,0,0,1|2,0,0]=4 5111 B14R1.148 NC(=O)CNCCc1cccc(c1)F 34a_100000205154_100000187820 [0,1,0,0,0,1|2,0,0]=4 5112 B14R1.148 NC(=O)CNCCc1cccc(c1)O 2230a_100000747277_100000747473 [0,1,0,0,0,1|2,0,0]=4 5113 B14R1.148 NC(=O)CNCCc1cccc(c1)O 34a_100000747277_100000187820 [0,1,0,0,0,1|2,0,0]=4 5114 B14R1.148 NC(=O)COCCc1cccc(c1)Br 34a_100011217444_100000187820 [0,1,0,0,0,1|2,0,0]=4 5115 B14R1.148 NC(=O)COCCc1cccc(c1)Br 7a_100011217444_100000187820 [0,1,0,0,0,1|2,0,0]=4 5116 B14R1.148 NC(=O)COCCc1cccc(c1)Cl 34a_100000754733_100000187820 [0,1,0,0,0,1|2,0,0]=4 5117 B14R1.148 NC(=O)COCCc1cccc(c1)Cl 7a_100000754733_100000187820 [0,1,0,0,0,1|2,0,0]=4 5118 B14R1.148 NC(=O)COCCc1cccc(c1)F 34a_100000763591_100000187820 [0,1,0,0,0,1|2,0,0]=4 5119 B14R1.148 NC(=O)COCCc1cccc(c1)F 7a_100000763591_100000187820 [0,1,0,0,0,1|2,0,0]=4 5120 B14R1.148 NC(=O)COCCc1cccc(c1)N 34a_100011996697_100000187820 [0,1,0,0,0,1|2,0,0]=4 5121 B14R1.148 NC(=O)CSCCc1cccc(c1)Br 62a_100000747473_100011740638 [0,1,0,0,0,1|2,0,0]=4 5122 B14R1.148 NC(=O)CSCCc1cccc(c1)Br 62a_100011740638_100000747473 [0,1,0,0,0,1|2,0,0]=4 5123 B14R1.148 NC(=O)CSCCc1cccc(c1)Cl 62a_100000747473_100011713710 [0,1,0,0,0,1|2,0,0]=4 5124 B14R1.148 NC(=O)CSCCc1cccc(c1)Cl 62a_100011713710_100000747473 [0,1,0,0,0,1|2,0,0]=4 5125 B14R1.148 NC(=O)CSCCc1cccc(c1)F 62a_100000747473_100011217235 [0,1,0,0,0,1|2,0,0]=4 5126 B14R1.148 NC(=O)CSCCc1cccc(c1)F 62a_100011217235_100000747473 [0,1,0,0,0,1|2,0,0]=4 5127 B14R1.148 NC(=O)NCCOc1ccc[n+](c1)[O-] 7a_100000039713_200000034859 [0,1,0,0,0,1|2,0,0]=4 5128 B14R1.148 NC(=O)NCCOc1cccc(c1)Br 7a_100000210342_200000034859 [0,1,0,0,0,1|1,0,0]=3 5129 B14R1.148 NC(=O)NCCOc1cccc(c1)Cl 7a_100000210295_200000034859 [0,1,0,0,0,1|1,0,0]=3 5130 B14R1.148 NC(=O)NCCOc1cccc(c1)F 7a_100000210426_200000034859 [0,1,0,0,0,1|1,0,0]=3 5131 B14R1.148 NC(=O)NCCOc1cccc(c1)I 7a_100000211634_200000034859 [0,1,0,0,0,1|1,0,0]=3 5132 B14R1.148 NC(=O)NCCOc1cncc(c1)Br 7a_100000754920_200000034859 [0,1,0,0,0,1|2,0,0]=4 5133 B14R1.148 NC(=O)NCCOc1cncc(c1)Cl 7a_100000032511_200000034859 [0,1,0,0,0,1|2,0,0]=4 5134 B14R1.148 NC(=O)NCCOc1cncc(c1)F 7a_100011830296_200000034859 [0,1,0,0,0,1|2,0,0]=4 5135 B14R1.148 NC(=O)NCCSc1cccc(c1)Br 62a_100000691529_200000034859 [0,1,0,0,0,1|1,1,0]=4 5136 B14R1.148 NC(=O)NCCSc1cccc(c1)Br 62a_200000034859_100000691529 [0,1,0,0,0,1|1,1,0]=4 5137 B14R1.148 NC(=O)NCCSc1cccc(c1)Cl 62a_100000699651_200000034859 [0,1,0,0,0,1|1,1,0]=4 5138 B14R1.148 NC(=O)NCCSc1cccc(c1)Cl 62a_200000034859_100000699651 [0,1,0,0,0,1|1,1,0]=4 5139 B14R1.148 NC(=O)NCCSc1cccc(c1)F 62a_100000685547_200000034859 [0,1,0,0,0,1|1,1,0]=4 5140 B14R1.148 NC(=O)NCCSc1cccc(c1)F 62a_200000034859_100000685547 [0,1,0,0,0,1|1,1,0]=4 5141 B14R1.148 NC(=O)NCCSc1cccc(c1)N 62a_100000210019_200000034859 [0,1,0,0,0,1|1,1,0]=4 5142 B14R1.148 NC(=O)NCCSc1cccc(c1)N 62a_200000034859_100000210019 [0,1,0,0,0,1|1,1,0]=4 5143 B14R1.148 NC(=O)NCCSc1cccc(c1)O 62a_200000034859_100000211634 [0,1,0,0,0,1|1,1,0]=4 5144 B14R1.148 NC(=O)NCCSc1cccc(c1)[S] 62a_114929384022_200000034859 [0,1,0,0,0,1|1,1,0]=4 5145 B14R1.148 NC(=O)NCCSc1cccc(c1)[S] 62a_200000034859_114929384022 [0,1,0,0,0,1|1,1,0]=4 5146 B14R1.148 NC(=O)OCCNc1cccc(c1)Br 34a_100000210019_200011214921 [0,1,0,0,0,1|2,0,0]=4 5147 B14R1.148 NC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_200011214921 [0,1,0,0,0,1|2,0,0]=4 5148 B14R1.148 NC(=O)OCCNc1cccc(c1)F 34a_100000210047_200011214921 [0,1,0,0,0,1|2,0,0]=4 5149 B14R1.148 NC(=O)OCCNc1cccc(c1)I 34a_100000211102_200011214921 [0,1,0,0,0,1|2,0,0]=4 5150 B14R1.148 NC(=O)OCCNc1cccc(c1)O 34a_100000210217_200011214921 [0,1,0,0,0,1|2,0,0]=4 5151 B14R1.148 NC(=O)OCCOc1cc[nH]c(=O)c1 34a_100000032262_200011214921 [0,1,0,0,0,1|2,0,0]=4 5152 B14R1.148 NC(=O)OCCOc1ccc[n+](c1)[O-] 34a_100000039713_200011214921 [0,1,0,0,0,1|2,0,0]=4 5153 B14R1.148 NC(=O)OCCOc1ccc[n+](c1)[O-] 7a_100000039713_200011214921 [0,1,0,0,0,1|2,0,0]=4 5154 B14R1.148 NC(=O)OCCOc1cccc(=O)[nH]1 34a_100000033347_200011214921 [0,1,0,0,0,1|2,0,0]=4 5155 B14R1.148 NC(=O)OCCOc1cccc(c1)Br 34a_100000210342_200011214921 [0,1,0,0,0,1|1,0,0]=3 5156 B14R1.148 NC(=O)OCCOc1cccc(c1)Br 7a_100000210342_200011214921 [0,1,0,0,0,1|1,0,0]=3 5157 B14R1.148 NC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_200011214921 [0,1,0,0,0,1|1,0,0]=3 5158 B14R1.148 NC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_200011214921 [0,1,0,0,0,1|1,0,0]=3 5159 B14R1.148 NC(=O)OCCOc1cccc(c1)F 34a_100000210426_200011214921 [0,1,0,0,0,1|1,0,0]=3 5160 B14R1.148 NC(=O)OCCOc1cccc(c1)F 7a_100000210426_200011214921 [0,1,0,0,0,1|1,0,0]=3 5161 B14R1.148 NC(=O)OCCOc1cccc(c1)I 34a_100000211634_200011214921 [0,1,0,0,0,1|1,0,0]=3 5162 B14R1.148 NC(=O)OCCOc1cccc(c1)I 7a_100000211634_200011214921 [0,1,0,0,0,1|1,0,0]=3 5163 B14R1.148 NC(=O)OCCOc1cccc(c1)N 34a_100000210217_200011214921 [0,1,0,0,0,1|1,0,0]=3 5164 B14R1.148 NC(=O)OCCOc1cccc(n1)F 34a_100011432558_200011214921 [0,1,0,0,0,1|2,0,0]=4 5165 B14R1.148 NC(=O)OCCOc1ccnc(c1)Cl 34a_100000762945_200011214921 [0,1,0,0,0,1|2,0,0]=4 5166 B14R1.148 NC(=O)OCCOc1ccnc(c1)F 34a_100000732698_200011214921 [0,1,0,0,0,1|2,0,0]=4 5167 B14R1.148 NC(=O)OCCOc1ccnc(c1)N 34a_100011834064_200011214921 [0,1,0,0,0,1|2,0,0]=4 5168 B14R1.148 NC(=O)OCCOc1cncc(c1)Br 34a_100000754920_200011214921 [0,1,0,0,0,1|2,0,0]=4 5169 B14R1.148 NC(=O)OCCOc1cncc(c1)Br 7a_100000754920_200011214921 [0,1,0,0,0,1|2,0,0]=4 5170 B14R1.148 NC(=O)OCCOc1cncc(c1)Cl 7a_100000032511_200011214921 [0,1,0,0,0,1|2,0,0]=4 5171 B14R1.148 NC(=O)OCCOc1cncc(c1)F 34a_100011830296_200011214921 [0,1,0,0,0,1|2,0,0]=4 5172 B14R1.148 NC(=O)OCCOc1cncc(c1)F 7a_100011830296_200011214921 [0,1,0,0,0,1|2,0,0]=4 5173 B14R1.148 NC(=O)OCCOc1cncc(c1)N 34a_100011997051_200011214921 [0,1,0,0,0,1|2,0,0]=4 5174 B14R1.148 NC(=O)OCCSc1cccc(c1)Br 62a_100000691529_200011214921 [0,1,0,0,0,1|1,1,0]=4 5175 B14R1.148 NC(=O)OCCSc1cccc(c1)Br 62a_200011214921_100000691529 [0,1,0,0,0,1|1,1,0]=4 5176 B14R1.148 NC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_200011214921 [0,1,0,0,0,1|1,1,0]=4 5177 B14R1.148 NC(=O)OCCSc1cccc(c1)Cl 62a_200011214921_100000699651 [0,1,0,0,0,1|1,1,0]=4 5178 B14R1.148 NC(=O)OCCSc1cccc(c1)F 62a_100000685547_200011214921 [0,1,0,0,0,1|1,1,0]=4 5179 B14R1.148 NC(=O)OCCSc1cccc(c1)F 62a_200011214921_100000685547 [0,1,0,0,0,1|1,1,0]=4 5180 B14R1.148 NC(=O)OCCSc1cccc(c1)N 62a_100000210019_200011214921 [0,1,0,0,0,1|1,1,0]=4 5181 B14R1.148 NC(=O)OCCSc1cccc(c1)N 62a_200011214921_100000210019 [0,1,0,0,0,1|1,1,0]=4 5182 B14R1.148 NC(=O)OCCSc1cccc(c1)O 62a_200011214921_100000211634 [0,1,0,0,0,1|1,1,0]=4 5183 B14R1.148 NC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_200011214921 [0,1,0,0,0,1|1,1,0]=4 5184 B14R1.148 NC(=O)OCCSc1cccc(c1)[S] 62a_200011214921_114929384022 [0,1,0,0,0,1|1,1,0]=4 5185 B14R1.148 Nc1cccc(c1)CCOCC(=O)[O-] 34a_100011996697_100020667443 [0,1,0,0,0,1|1,0,1]=4 5186 B14R1.148 Nc1cccc(c1)OCCC=C(F)F 34a_100000210217_200009816681 [0,1,0,0,0,1|2,0,0]=4 5187 B14R1.148 O=C(O)CNCCc1cccc(c1)Br 269956a_100016091260_100011740638 [0,1,0,0,0,1|1,0,0]=3 5188 B14R1.148 O=C(O)CNCCc1cccc(c1)Cl 269956a_100016091260_100011713710 [0,1,0,0,0,1|1,0,0]=3 5189 B14R1.148 O=C(O)CNCCc1cccc(c1)F 269956a_100016091260_100011217235 [0,1,0,0,0,1|1,0,0]=3 5190 B14R1.148 O=C(O)CONCc1cccc(c1)Br 269956a_100000106656_100000211773 [0,1,0,0,0,1|2,0,0]=4 5191 B14R1.148 O=C(O)CONCc1cccc(c1)Cl 269956a_100000106656_100000187163 [0,1,0,0,0,1|2,0,0]=4 5192 B14R1.148 O=C(O)CONCc1cccc(c1)F 269956a_100000106656_100000230114 [0,1,0,0,0,1|2,0,0]=4 5193 B14R1.148 O=C(O)CONCc1cccc(c1)I 269956a_100000106656_100011218688 [0,1,0,0,0,1|2,0,0]=4 5194 B14R1.148 O=C(O)CONCc1cccc(c1)O 269956a_100000106656_100011660834 [0,1,0,0,0,1|2,0,0]=4 5195 B14R1.148 O=C([O-])CNCCc1cccc(c1)Br 34a_100011207229_100020667443 [0,1,0,0,0,1|1,0,1]=4 5196 B14R1.148 O=C([O-])CNCCc1cccc(c1)Cl 34a_100000185263_100020667443 [0,1,0,0,0,1|1,0,1]=4 5197 B14R1.148 O=C([O-])CNCCc1cccc(c1)F 34a_100000205154_100020667443 [0,1,0,0,0,1|1,0,1]=4 5198 B14R1.148 O=C([O-])CNCCc1cccc(c1)O 34a_100000747277_100020667443 [0,1,0,0,0,1|1,0,1]=4 5199 B14R1.148 O=C([O-])COCCc1cccc(c1)Br 34a_100011217444_100020667443 [0,1,0,0,0,1|1,0,1]=4 5200 B14R1.148 O=C([O-])COCCc1cccc(c1)Cl 34a_100000754733_100020667443 [0,1,0,0,0,1|1,0,1]=4 5201 B14R1.148 O=C([O-])COCCc1cccc(c1)F 34a_100000763591_100020667443 [0,1,0,0,0,1|1,0,1]=4 5202 B14R1.148 O=C([O-])CSCCc1cccc(c1)Br 62a_100011740638_100020667443 [0,1,0,0,0,1|1,0,1]=4 5203 B14R1.148 O=C([O-])CSCCc1cccc(c1)Br 62a_100020667443_100011740638 [0,1,0,0,0,1|1,0,1]=4 5204 B14R1.148 O=C([O-])CSCCc1cccc(c1)Cl 62a_100011713710_100020667443 [0,1,0,0,0,1|1,0,1]=4 5205 B14R1.148 O=C([O-])CSCCc1cccc(c1)Cl 62a_100020667443_100011713710 [0,1,0,0,0,1|1,0,1]=4 5206 B14R1.148 O=C([O-])CSCCc1cccc(c1)F 62a_100011217235_100020667443 [0,1,0,0,0,1|1,0,1]=4 5207 B14R1.148 O=C([O-])CSCCc1cccc(c1)F 62a_100020667443_100011217235 [0,1,0,0,0,1|1,0,1]=4 5208 B14R1.148 [13CH3]C(=O)CCCCc1cccc(c1)Br 1458a_200010160685_200025704644 [0,1,0,0,0,1|2,0,0]=4 5209 B14R1.148 [13CH3]C(=O)CCCOc1cccc(c1)O 1458a_200009913207_200025704644 [0,1,0,0,0,1|1,0,0]=3 5210 B14R1.159 C=C(Br)CCOCc1ccccc1Br 34a_100009813270_100000184730 [0,1,0,0,0,1|2,0,0]=4 5211 B14R1.159 C=C(Br)CCOCc1ccccc1C 34a_100009813270_100000211839 [0,1,0,0,0,1|2,0,0]=4 5212 B14R1.159 C=C(Br)CCOCc1ccccc1Cl 34a_100009813270_100000187162 [0,1,0,0,0,1|2,0,0]=4 5213 B14R1.159 C=C(Br)CCOCc1ccccc1F 34a_100009813270_100000211605 [0,1,0,0,0,1|2,0,0]=4 5214 B14R1.159 C=C(Br)CCOCc1ccccc1I 34a_100009813270_100011215278 [0,1,0,0,0,1|2,0,0]=4 5215 B14R1.159 C=C(C)CCOCc1ccccc1Br 34a_100000756307_100000730704 [0,1,0,0,0,1|2,0,0]=4 5216 B14R1.159 C=C(C)CCOCc1ccccc1Br 34a_100000764851_100000184730 [0,1,0,0,0,1|2,0,0]=4 5217 B14R1.159 C=C(C)CCOCc1ccccc1Br 7a_100000756307_100000730704 [0,1,0,0,0,1|2,0,0]=4 5218 B14R1.159 C=C(C)CCOCc1ccccc1C 34a_100000698903_100000730704 [0,1,0,0,0,1|2,0,0]=4 5219 B14R1.159 C=C(C)CCOCc1ccccc1C 34a_100000764851_100000211839 [0,1,0,0,0,1|2,0,0]=4 5220 B14R1.159 C=C(C)CCOCc1ccccc1C 7a_100000698903_100000730704 [0,1,0,0,0,1|2,0,0]=4 5221 B14R1.159 C=C(C)CCOCc1ccccc1Cl 34a_100000210847_100000730704 [0,1,0,0,0,1|2,0,0]=4 5222 B14R1.159 C=C(C)CCOCc1ccccc1Cl 34a_100000764851_100000187162 [0,1,0,0,0,1|2,0,0]=4 5223 B14R1.159 C=C(C)CCOCc1ccccc1Cl 7a_100000210847_100000730704 [0,1,0,0,0,1|2,0,0]=4 5224 B14R1.159 C=C(C)CCOCc1ccccc1F 34a_100000211962_100000730704 [0,1,0,0,0,1|2,0,0]=4 5225 B14R1.159 C=C(C)CCOCc1ccccc1F 34a_100000764851_100000211605 [0,1,0,0,0,1|2,0,0]=4 5226 B14R1.159 C=C(C)CCOCc1ccccc1F 7a_100000211962_100000730704 [0,1,0,0,0,1|2,0,0]=4 5227 B14R1.159 C=C(C)CCOCc1ccccc1I 34a_100000187465_100000730704 [0,1,0,0,0,1|2,0,0]=4 5228 B14R1.159 C=C(C)CCOCc1ccccc1I 34a_100000764851_100011215278 [0,1,0,0,0,1|2,0,0]=4 5229 B14R1.159 C=C(C)CCOCc1ccccc1I 7a_100000187465_100000730704 [0,1,0,0,0,1|2,0,0]=4 5230 B14R1.159 C=C(C)CCOCc1ccccc1N 34a_100000212039_100000730704 [0,1,0,0,0,1|2,0,0]=4 5231 B14R1.159 CC(=CCCOc1ccccc1Br)C 34a_100000181306_100011217483 [0,1,0,0,0,1|2,0,0]=4 5232 B14R1.159 CC(=CCCOc1ccccc1Br)C 7a_100000181306_100011217483 [0,1,0,0,0,1|2,0,0]=4 5233 B14R1.159 CC(=CCCOc1ccccc1C)C 34a_100000210338_100011217483 [0,1,0,0,0,1|2,0,0]=4 5234 B14R1.159 CC(=CCCOc1ccccc1C)C 7a_100000210338_100011217483 [0,1,0,0,0,1|2,0,0]=4 5235 B14R1.159 CC(=CCCOc1ccccc1Cl)C 34a_100000210172_100011217483 [0,1,0,0,0,1|2,0,0]=4 5236 B14R1.159 CC(=CCCOc1ccccc1Cl)C 7a_100000210172_100011217483 [0,1,0,0,0,1|2,0,0]=4 5237 B14R1.159 CC(=CCCOc1ccccc1F)C 34a_100000210171_100011217483 [0,1,0,0,0,1|2,0,0]=4 5238 B14R1.159 CC(=CCCOc1ccccc1F)C 7a_100000210171_100011217483 [0,1,0,0,0,1|2,0,0]=4 5239 B14R1.159 CC(=CCCOc1ccccc1I)C 34a_100000739446_100011217483 [0,1,0,0,0,1|2,0,0]=4 5240 B14R1.159 CC(=CCCOc1ccccc1I)C 7a_100000739446_100011217483 [0,1,0,0,0,1|2,0,0]=4 5241 B14R1.159 CC(=CCCOc1ccccc1N)C 34a_100000185747_100011217483 [0,1,0,0,0,1|2,0,0]=4 5242 B14R1.159 CC(=CCCOc1ccccc1N)C 7a_100000185747_100011217483 [0,1,0,0,0,1|2,0,0]=4 5243 B14R1.159 CC(=O)CCCNc1ccccc1Br 34a_100000210017_100000685027 [0,1,0,0,0,1|2,0,0]=4 5244 B14R1.159 CC(=O)CCCNc1ccccc1C 34a_100015192222_100000685027 [0,1,0,0,0,1|2,0,0]=4 5245 B14R1.159 CC(=O)CCCNc1ccccc1Cl 34a_100000185783_100000685027 [0,1,0,0,0,1|2,0,0]=4 5246 B14R1.159 CC(=O)CCCNc1ccccc1F 34a_100000210422_100000685027 [0,1,0,0,0,1|2,0,0]=4 5247 B14R1.159 CC(=O)CCCNc1ccccc1I 34a_100000210053_100000685027 [0,1,0,0,0,1|2,0,0]=4 5248 B14R1.159 CC(=O)CCCNc1ccccc1O 34a_100000185747_100000685027 [0,1,0,0,0,1|2,0,0]=4 5249 B14R1.159 CC(=O)CCCOc1cccc[n+]1[O-] 7a_100000211761_100011215641 [0,1,0,0,0,1|2,0,0]=4 5250 B14R1.159 CC(=O)CCCOc1ccccc1Br 1458a_100000070787_200011259276 [0,1,0,0,0,1|1,0,0]=3 5251 B14R1.159 CC(=O)CCCOc1ccccc1Br 34a_100000181306_100000685027 [0,1,0,0,0,1|1,0,0]=3 5252 B14R1.159 CC(=O)CCCOc1ccccc1Br 7a_100000181306_100011215641 [0,1,0,0,0,1|1,0,0]=3 5253 B14R1.159 CC(=O)CCCOc1ccccc1C 1458a_100000070787_100000742659 [0,1,0,0,0,1|1,0,0]=3 5254 B14R1.159 CC(=O)CCCOc1ccccc1C 1458a_100000735866_200000210301 [0,1,0,0,0,1|1,0,0]=3 5255 B14R1.159 CC(=O)CCCOc1ccccc1C 34a_100000210338_100000685027 [0,1,0,0,0,1|1,0,0]=3 5256 B14R1.159 CC(=O)CCCOc1ccccc1C 7a_100000210338_100011215641 [0,1,0,0,0,1|1,0,0]=3 5257 B14R1.159 CC(=O)CCCOc1ccccc1Cl 1458a_100000747900_200000210301 [0,1,0,0,0,1|1,0,0]=3 5258 B14R1.159 CC(=O)CCCOc1ccccc1Cl 34a_100000210172_100000685027 [0,1,0,0,0,1|1,0,0]=3 5259 B14R1.159 CC(=O)CCCOc1ccccc1Cl 7a_100000210172_100011215641 [0,1,0,0,0,1|1,0,0]=3 5260 B14R1.159 CC(=O)CCCOc1ccccc1F 1458a_100000070787_100011203253 [0,1,0,0,0,1|1,0,0]=3 5261 B14R1.159 CC(=O)CCCOc1ccccc1F 34a_100000210171_100000685027 [0,1,0,0,0,1|1,0,0]=3 5262 B14R1.159 CC(=O)CCCOc1ccccc1F 7a_100000210171_100011215641 [0,1,0,0,0,1|1,0,0]=3 5263 B14R1.159 CC(=O)CCCOc1ccccc1I 34a_100000739446_100000685027 [0,1,0,0,0,1|1,0,0]=3 5264 B14R1.159 CC(=O)CCCOc1ccccc1I 7a_100000739446_100011215641 [0,1,0,0,0,1|1,0,0]=3 5265 B14R1.159 CC(=O)CCCOc1ccccc1N 34a_100000185747_100000685027 [0,1,0,0,0,1|1,0,0]=3 5266 B14R1.159 CC(=O)CCCOc1ccccc1N 7a_100000185747_100011215641 [0,1,0,0,0,1|1,0,0]=3 5267 B14R1.159 CC(=O)CCCOc1cccnc1Br 34a_100000744436_100000685027 [0,1,0,0,0,1|2,0,0]=4 5268 B14R1.159 CC(=O)CCCOc1cccnc1Br 7a_100000744436_100011215641 [0,1,0,0,0,1|2,0,0]=4 5269 B14R1.159 CC(=O)CCCOc1cccnc1C 34a_100000745507_100000685027 [0,1,0,0,0,1|2,0,0]=4 5270 B14R1.159 CC(=O)CCCOc1cccnc1C 7a_100000745507_100011215641 [0,1,0,0,0,1|2,0,0]=4 5271 B14R1.159 CC(=O)CCCOc1cccnc1Cl 34a_100000757616_100000685027 [0,1,0,0,0,1|2,0,0]=4 5272 B14R1.159 CC(=O)CCCOc1cccnc1Cl 7a_100000757616_100011215641 [0,1,0,0,0,1|2,0,0]=4 5273 B14R1.159 CC(=O)CCCOc1cccnc1F 34a_100000061740_100000685027 [0,1,0,0,0,1|2,0,0]=4 5274 B14R1.159 CC(=O)CCCOc1cccnc1F 7a_100000061740_100011215641 [0,1,0,0,0,1|2,0,0]=4 5275 B14R1.159 CC(=O)CCCOc1cccnc1I 34a_100000034122_100000685027 [0,1,0,0,0,1|2,0,0]=4 5276 B14R1.159 CC(=O)CCCOc1cccnc1I 7a_100000034122_100011215641 [0,1,0,0,0,1|2,0,0]=4 5277 B14R1.159 CC(=O)CCCOc1cccnc1N 34a_100000211975_100000685027 [0,1,0,0,0,1|2,0,0]=4 5278 B14R1.159 CC(=O)CCCOc1cccnc1N 7a_100000211975_100011215641 [0,1,0,0,0,1|2,0,0]=4 5279 B14R1.159 CC(=O)CCCOc1cccoc1=O 34a_100000077404_100000685027 [0,1,0,0,0,1|2,0,0]=4 5280 B14R1.159 CC(=O)CCCOc1cccoc1=O 7a_100000077404_100011215641 [0,1,0,0,0,1|2,0,0]=4 5281 B14R1.159 CC(=O)CCCOc1ccncc1Br 34a_100011996408_100000685027 [0,1,0,0,0,1|2,0,0]=4 5282 B14R1.159 CC(=O)CCCOc1ccncc1C 34a_100000694293_100000685027 [0,1,0,0,0,1|2,0,0]=4 5283 B14R1.159 CC(=O)CCCOc1ccncc1Cl 34a_100011997054_100000685027 [0,1,0,0,0,1|2,0,0]=4 5284 B14R1.159 CC(=O)CCCOc1ccncc1F 34a_200000081243_100000685027 [0,1,0,0,0,1|2,0,0]=4 5285 B14R1.159 CC(=O)CCCOc1cnccc1C 34a_100011997053_100000685027 [0,1,0,0,0,1|2,0,0]=4 5286 B14R1.159 CC(=O)CCCOc1cnccc1C 7a_100011997053_100011215641 [0,1,0,0,0,1|2,0,0]=4 5287 B14R1.159 CC(=O)CCCOc1cnccc1Cl 34a_100011996695_100000685027 [0,1,0,0,0,1|2,0,0]=4 5288 B14R1.159 CC(=O)CCCOc1cnccc1I 34a_100000050107_100000685027 [0,1,0,0,0,1|2,0,0]=4 5289 B14R1.159 CC(=O)CCCOc1cnccc1N 34a_100000753702_100000685027 [0,1,0,0,0,1|2,0,0]=4 5290 B14R1.159 CC(=O)CCCOc1coccc1=O 34a_100000060831_100000685027 [0,1,0,0,0,1|2,0,0]=4 5291 B14R1.159 CC(=O)CCCOc1ncccc1Cl 34a_100011290957_100000685027 [0,1,0,0,0,1|2,0,0]=4 5292 B14R1.159 CC(=O)CCCOc1ncccc1F 34a_100011219419_100000685027 [0,1,0,0,0,1|2,0,0]=4 5293 B14R1.159 CC(=O)CCCOc1ncccc1N 34a_100000746358_100000685027 [0,1,0,0,0,1|2,0,0]=4 5294 B14R1.159 CC(=O)CCCSc1ccccc1Br 62a_100000695589_100011215641 [0,1,0,0,0,1|1,1,0]=4 5295 B14R1.159 CC(=O)CCCSc1ccccc1Br 62a_100011215641_100000695589 [0,1,0,0,0,1|1,1,0]=4 5296 B14R1.159 CC(=O)CCCSc1ccccc1C 62a_100000210755_100011215641 [0,1,0,0,0,1|1,1,0]=4 5297 B14R1.159 CC(=O)CCCSc1ccccc1C 62a_100011215641_100000210755 [0,1,0,0,0,1|1,1,0]=4 5298 B14R1.159 CC(=O)CCCSc1ccccc1Cl 1458a_100000070787_100000750589 [0,1,0,0,0,1|1,1,0]=4 5299 B14R1.159 CC(=O)CCCSc1ccccc1Cl 62a_100000764095_100011215641 [0,1,0,0,0,1|1,1,0]=4 5300 B14R1.159 CC(=O)CCCSc1ccccc1Cl 62a_100011215641_100000764095 [0,1,0,0,0,1|1,1,0]=4 5301 B14R1.159 CC(=O)CCCSc1ccccc1F 62a_100011215641_100011215700 [0,1,0,0,0,1|1,1,0]=4 5302 B14R1.159 CC(=O)CCCSc1ccccc1F 62a_100011215700_100011215641 [0,1,0,0,0,1|1,1,0]=4 5303 B14R1.159 CC(=O)CCCSc1ccccc1N 62a_100000210017_100011215641 [0,1,0,0,0,1|1,1,0]=4 5304 B14R1.159 CC(=O)CCCSc1ccccc1N 62a_100011215641_100000210017 [0,1,0,0,0,1|1,1,0]=4 5305 B14R1.159 CC(=O)CCCSc1ccccc1O 62a_100000739446_100011215641 [0,1,0,0,0,1|1,1,0]=4 5306 B14R1.159 CC(=O)CCCSc1ccccc1O 62a_100011215641_100000739446 [0,1,0,0,0,1|1,1,0]=4 5307 B14R1.159 CC(=O)CCOCc1ccccc1Br 34a_100000759926_100000184730 [0,1,0,0,0,1|1,0,0]=3 5308 B14R1.159 CC(=O)CCOCc1ccccc1Br 7a_100000756307_100000053229 [0,1,0,0,0,1|1,0,0]=3 5309 B14R1.159 CC(=O)CCOCc1ccccc1Br 7a_100000759926_100000184730 [0,1,0,0,0,1|1,0,0]=3 5310 B14R1.159 CC(=O)CCOCc1ccccc1C 34a_100000759926_100000211839 [0,1,0,0,0,1|1,0,0]=3 5311 B14R1.159 CC(=O)CCOCc1ccccc1C 7a_100000698903_100000053229 [0,1,0,0,0,1|1,0,0]=3 5312 B14R1.159 CC(=O)CCOCc1ccccc1C 7a_100000759926_100000211839 [0,1,0,0,0,1|1,0,0]=3 5313 B14R1.159 CC(=O)CCOCc1ccccc1Cl 34a_100000759926_100000187162 [0,1,0,0,0,1|1,0,0]=3 5314 B14R1.159 CC(=O)CCOCc1ccccc1Cl 7a_100000210847_100000053229 [0,1,0,0,0,1|1,0,0]=3 5315 B14R1.159 CC(=O)CCOCc1ccccc1Cl 7a_100000759926_100000187162 [0,1,0,0,0,1|1,0,0]=3 5316 B14R1.159 CC(=O)CCOCc1ccccc1F 34a_100000759926_100000211605 [0,1,0,0,0,1|1,0,0]=3 5317 B14R1.159 CC(=O)CCOCc1ccccc1F 7a_100000211962_100000053229 [0,1,0,0,0,1|1,0,0]=3 5318 B14R1.159 CC(=O)CCOCc1ccccc1F 7a_100000759926_100000211605 [0,1,0,0,0,1|1,0,0]=3 5319 B14R1.159 CC(=O)CCOCc1ccccc1I 34a_100000759926_100011215278 [0,1,0,0,0,1|1,0,0]=3 5320 B14R1.159 CC(=O)CCOCc1ccccc1I 7a_100000187465_100000053229 [0,1,0,0,0,1|1,0,0]=3 5321 B14R1.159 CC(=O)CCOCc1ccccc1I 7a_100000759926_100011215278 [0,1,0,0,0,1|1,0,0]=3 5322 B14R1.159 CC(=O)CCOCc1cccnc1Br 34a_100000759926_100010140945 [0,1,0,0,0,1|2,0,0]=4 5323 B14R1.159 CC(=O)CCOCc1cccnc1Br 7a_100000719692_100000053229 [0,1,0,0,0,1|2,0,0]=4 5324 B14R1.159 CC(=O)CCOCc1cccnc1Br 7a_100000759926_100010140945 [0,1,0,0,0,1|2,0,0]=4 5325 B14R1.159 CC(=O)CCOCc1cccnc1C 34a_100000759926_100000732876 [0,1,0,0,0,1|2,0,0]=4 5326 B14R1.159 CC(=O)CCOCc1cccnc1C 7a_100000729262_100000053229 [0,1,0,0,0,1|2,0,0]=4 5327 B14R1.159 CC(=O)CCOCc1cccnc1C 7a_100000759926_100000732876 [0,1,0,0,0,1|2,0,0]=4 5328 B14R1.159 CC(=O)CCOCc1cccnc1Cl 34a_100000759926_100000045678 [0,1,0,0,0,1|2,0,0]=4 5329 B14R1.159 CC(=O)CCOCc1cccnc1Cl 7a_100000748726_100000053229 [0,1,0,0,0,1|2,0,0]=4 5330 B14R1.159 CC(=O)CCOCc1cccnc1Cl 7a_100000759926_100000045678 [0,1,0,0,0,1|2,0,0]=4 5331 B14R1.159 CC(=O)CCOCc1cccnc1F 34a_100000759926_100000099810 [0,1,0,0,0,1|2,0,0]=4 5332 B14R1.159 CC(=O)CCOCc1cccnc1F 7a_100000079888_100000053229 [0,1,0,0,0,1|2,0,0]=4 5333 B14R1.159 CC(=O)CCOCc1cccnc1F 7a_100000759926_100000099810 [0,1,0,0,0,1|2,0,0]=4 5334 B14R1.159 CC(=O)CCOCc1ccncc1C 34a_100000759926_100020672809 [0,1,0,0,0,1|2,0,0]=4 5335 B14R1.159 CC(=O)CCOCc1ccncc1C 7a_100000759926_100020672808 [0,1,0,0,0,1|2,0,0]=4 5336 B14R1.159 CC(=O)CCOCc1ccncc1Cl 7a_100000759926_100000763264 [0,1,0,0,0,1|2,0,0]=4 5337 B14R1.159 CC(=O)CCOCc1cnccc1C 34a_100000759926_100000690890 [0,1,0,0,0,1|2,0,0]=4 5338 B14R1.159 CC(=O)CCOCc1cnccc1C 7a_100000759926_100000690890 [0,1,0,0,0,1|2,0,0]=4 5339 B14R1.159 CC(=O)CCOCc1ncccc1Br 34a_100000759926_100025702911 [0,1,0,0,0,1|2,0,0]=4 5340 B14R1.159 CC(=O)CCOCc1ncccc1Br 7a_100000759926_100025702911 [0,1,0,0,0,1|2,0,0]=4 5341 B14R1.159 CC(=O)CCOCc1ncccc1C 34a_100000759926_100000696600 [0,1,0,0,0,1|2,0,0]=4 5342 B14R1.159 CC(=O)CCOCc1ncccc1C 7a_100000759926_100000696600 [0,1,0,0,0,1|2,0,0]=4 5343 B14R1.159 CC(=O)CCOCc1ncccc1Cl 7a_100000759926_100000099807 [0,1,0,0,0,1|2,0,0]=4 5344 B14R1.159 CC(=O)CCOCc1ncccc1F 34a_100000759926_100000104219 [0,1,0,0,0,1|2,0,0]=4 5345 B14R1.159 CC(=O)CCOCc1ncccc1F 7a_100000759926_100000104219 [0,1,0,0,0,1|2,0,0]=4 5346 B14R1.159 CC(=O)CCOCc1ncccc1O 34a_100000759926_200020655725 [0,1,0,0,0,1|2,0,0]=4 5347 B14R1.159 CC(=O)CCOCc1ncccc1O 7a_100000759926_200020655725 [0,1,0,0,0,1|2,0,0]=4 5348 B14R1.159 CC(=O)CCSCc1ccccc1Br 62a_100000053229_100000184730 [0,1,0,0,0,1|1,1,0]=4 5349 B14R1.159 CC(=O)CCSCc1ccccc1Br 62a_100000184730_100000053229 [0,1,0,0,0,1|1,1,0]=4 5350 B14R1.159 CC(=O)CCSCc1ccccc1C 62a_100000053229_100000211839 [0,1,0,0,0,1|1,1,0]=4 5351 B14R1.159 CC(=O)CCSCc1ccccc1C 62a_100000211839_100000053229 [0,1,0,0,0,1|1,1,0]=4 5352 B14R1.159 CC(=O)CCSCc1ccccc1Cl 62a_100000053229_100000187162 [0,1,0,0,0,1|1,1,0]=4 5353 B14R1.159 CC(=O)CCSCc1ccccc1Cl 62a_100000187162_100000053229 [0,1,0,0,0,1|1,1,0]=4 5354 B14R1.159 CC(=O)CCSCc1ccccc1F 62a_100000053229_100000211605 [0,1,0,0,0,1|1,1,0]=4 5355 B14R1.159 CC(=O)CCSCc1ccccc1F 62a_100000211605_100000053229 [0,1,0,0,0,1|1,1,0]=4 5356 B14R1.159 CC(=O)CCSCc1ccccc1I 62a_100000053229_100011216222 [0,1,0,0,0,1|1,1,0]=4 5357 B14R1.159 CC(=O)CCSCc1ccccc1I 62a_100011216222_100000053229 [0,1,0,0,0,1|1,1,0]=4 5358 B14R1.159 CC(=O)COCCc1ccccc1Br 34a_100000211253_100012161201 [0,1,0,0,0,1|2,0,0]=4 5359 B14R1.159 CC(=O)COCCc1ccccc1C 34a_100000211253_100011713688 [0,1,0,0,0,1|2,0,0]=4 5360 B14R1.159 CC(=O)COCCc1ccccc1Cl 34a_100000211253_100011713703 [0,1,0,0,0,1|2,0,0]=4 5361 B14R1.159 CC(=O)COCCc1ccccc1F 34a_100000211253_100000720011 [0,1,0,0,0,1|2,0,0]=4 5362 B14R1.159 CC(=O)COCCc1ccccc1O 34a_100000211253_100000722297 [0,1,0,0,0,1|2,0,0]=4 5363 B14R1.159 CC(=O)NCCCc1ccccc1F 11a_100000724733_100015343762 [0,1,0,0,0,1|2,0,0]=4 5364 B14R1.159 CC(=O)NCCCc1ccccc1F 1626a_100000724733_100015343762 [0,1,0,0,0,1|2,0,0]=4 5365 B14R1.159 CC(=O)NCCCc1ccccc1F 240690a_100000724733_100015343762 [0,1,0,0,0,1|2,0,0]=4 5366 B14R1.159 CC(=O)NCCCc1ccccc1F 527a_100000724733_100103153847 [0,1,0,0,0,1|2,0,0]=4 5367 B14R1.159 CC(=O)NCCOc1cccc[n+]1[O-] 7a_100000211761_100000189650 [0,1,0,0,0,1|2,0,0]=4 5368 B14R1.159 CC(=O)NCCOc1ccccc1Br 11a_100000744007_100015343762 [0,1,0,0,0,1|1,0,0]=3 5369 B14R1.159 CC(=O)NCCOc1ccccc1Br 1626a_100000744007_100015343762 [0,1,0,0,0,1|1,0,0]=3 5370 B14R1.159 CC(=O)NCCOc1ccccc1Br 240690a_100000744007_100015343762 [0,1,0,0,0,1|1,0,0]=3 5371 B14R1.159 CC(=O)NCCOc1ccccc1Br 527a_100000744007_100103153847 [0,1,0,0,0,1|1,0,0]=3 5372 B14R1.159 CC(=O)NCCOc1ccccc1Br 7a_100000181306_100000189650 [0,1,0,0,0,1|1,0,0]=3 5373 B14R1.159 CC(=O)NCCOc1ccccc1C 11a_100000743344_100015343762 [0,1,0,0,0,1|1,0,0]=3 5374 B14R1.159 CC(=O)NCCOc1ccccc1C 1626a_100000743344_100015343762 [0,1,0,0,0,1|1,0,0]=3 5375 B14R1.159 CC(=O)NCCOc1ccccc1C 240690a_100000743344_100015343762 [0,1,0,0,0,1|1,0,0]=3 5376 B14R1.159 CC(=O)NCCOc1ccccc1C 527a_100000743344_100103153847 [0,1,0,0,0,1|1,0,0]=3 5377 B14R1.159 CC(=O)NCCOc1ccccc1C 7a_100000210338_100000189650 [0,1,0,0,0,1|1,0,0]=3 5378 B14R1.159 CC(=O)NCCOc1ccccc1Cl 11a_100000174932_100015343762 [0,1,0,0,0,1|1,0,0]=3 5379 B14R1.159 CC(=O)NCCOc1ccccc1Cl 1626a_100000174932_100015343762 [0,1,0,0,0,1|1,0,0]=3 5380 B14R1.159 CC(=O)NCCOc1ccccc1Cl 240690a_100000174932_100015343762 [0,1,0,0,0,1|1,0,0]=3 5381 B14R1.159 CC(=O)NCCOc1ccccc1Cl 527a_100000174932_100103153847 [0,1,0,0,0,1|1,0,0]=3 5382 B14R1.159 CC(=O)NCCOc1ccccc1Cl 7a_100000210172_100000189650 [0,1,0,0,0,1|1,0,0]=3 5383 B14R1.159 CC(=O)NCCOc1ccccc1F 11a_100000683764_100015343762 [0,1,0,0,0,1|1,0,0]=3 5384 B14R1.159 CC(=O)NCCOc1ccccc1F 1626a_100000683764_100015343762 [0,1,0,0,0,1|1,0,0]=3 5385 B14R1.159 CC(=O)NCCOc1ccccc1F 240690a_100000683764_100015343762 [0,1,0,0,0,1|1,0,0]=3 5386 B14R1.159 CC(=O)NCCOc1ccccc1F 527a_100000683764_100103153847 [0,1,0,0,0,1|1,0,0]=3 5387 B14R1.159 CC(=O)NCCOc1ccccc1F 7a_100000210171_100000189650 [0,1,0,0,0,1|1,0,0]=3 5388 B14R1.159 CC(=O)NCCOc1ccccc1I 7a_100000739446_100000189650 [0,1,0,0,0,1|1,0,0]=3 5389 B14R1.159 CC(=O)NCCOc1ccccc1N 7a_100000185747_100000189650 [0,1,0,0,0,1|1,0,0]=3 5390 B14R1.159 CC(=O)NCCOc1cccnc1Br 7a_100000744436_100000189650 [0,1,0,0,0,1|2,0,0]=4 5391 B14R1.159 CC(=O)NCCOc1cccnc1C 7a_100000745507_100000189650 [0,1,0,0,0,1|2,0,0]=4 5392 B14R1.159 CC(=O)NCCOc1cccnc1Cl 7a_100000757616_100000189650 [0,1,0,0,0,1|2,0,0]=4 5393 B14R1.159 CC(=O)NCCOc1cccnc1F 7a_100000061740_100000189650 [0,1,0,0,0,1|2,0,0]=4 5394 B14R1.159 CC(=O)NCCOc1cccnc1I 7a_100000034122_100000189650 [0,1,0,0,0,1|2,0,0]=4 5395 B14R1.159 CC(=O)NCCOc1cccnc1N 7a_100000211975_100000189650 [0,1,0,0,0,1|2,0,0]=4 5396 B14R1.159 CC(=O)NCCOc1cccoc1=O 7a_100000077404_100000189650 [0,1,0,0,0,1|2,0,0]=4 5397 B14R1.159 CC(=O)NCCOc1cnccc1C 7a_100011997053_100000189650 [0,1,0,0,0,1|2,0,0]=4 5398 B14R1.159 CC(=O)NCCSc1ccccc1Br 62a_100000189650_100000695589 [0,1,0,0,0,1|1,1,0]=4 5399 B14R1.159 CC(=O)NCCSc1ccccc1Br 62a_100000695589_100000189650 [0,1,0,0,0,1|1,1,0]=4 5400 B14R1.159 CC(=O)NCCSc1ccccc1C 62a_100000189650_100000210755 [0,1,0,0,0,1|1,1,0]=4 5401 B14R1.159 CC(=O)NCCSc1ccccc1C 62a_100000210755_100000189650 [0,1,0,0,0,1|1,1,0]=4 5402 B14R1.159 CC(=O)NCCSc1ccccc1Cl 62a_100000189650_100000764095 [0,1,0,0,0,1|1,1,0]=4 5403 B14R1.159 CC(=O)NCCSc1ccccc1Cl 62a_100000764095_100000189650 [0,1,0,0,0,1|1,1,0]=4 5404 B14R1.159 CC(=O)NCCSc1ccccc1F 62a_100000189650_100011215700 [0,1,0,0,0,1|1,1,0]=4 5405 B14R1.159 CC(=O)NCCSc1ccccc1F 62a_100011215700_100000189650 [0,1,0,0,0,1|1,1,0]=4 5406 B14R1.159 CC(=O)NCCSc1ccccc1N 62a_100000189650_100000210017 [0,1,0,0,0,1|1,1,0]=4 5407 B14R1.159 CC(=O)NCCSc1ccccc1N 62a_100000210017_100000189650 [0,1,0,0,0,1|1,1,0]=4 5408 B14R1.159 CC(=O)NCCSc1ccccc1O 62a_100000189650_100000739446 [0,1,0,0,0,1|1,1,0]=4 5409 B14R1.159 CC(=O)NCCSc1ccccc1O 62a_100000739446_100000189650 [0,1,0,0,0,1|1,1,0]=4 5410 B14R1.159 CC(=O)OCCNc1ccccc1Br 34a_100000210017_100009814007 [0,1,0,0,0,1|2,0,0]=4 5411 B14R1.159 CC(=O)OCCNc1ccccc1C 34a_100015192222_100009814007 [0,1,0,0,0,1|2,0,0]=4 5412 B14R1.159 CC(=O)OCCNc1ccccc1Cl 34a_100000185783_100009814007 [0,1,0,0,0,1|2,0,0]=4 5413 B14R1.159 CC(=O)OCCNc1ccccc1F 34a_100000210422_100009814007 [0,1,0,0,0,1|2,0,0]=4 5414 B14R1.159 CC(=O)OCCNc1ccccc1I 34a_100000210053_100009814007 [0,1,0,0,0,1|2,0,0]=4 5415 B14R1.159 CC(=O)OCCNc1ccccc1O 34a_100000185747_100009814007 [0,1,0,0,0,1|2,0,0]=4 5416 B14R1.159 CC(=O)OCCOc1cccc[n+]1[O-] 7a_100000211761_100009814007 [0,1,0,0,0,1|2,0,0]=4 5417 B14R1.159 CC(=O)OCCOc1ccccc1Br 34a_100000181306_100009814007 [0,1,0,0,0,1|1,0,0]=3 5418 B14R1.159 CC(=O)OCCOc1ccccc1Br 7a_100000181306_100009814007 [0,1,0,0,0,1|1,0,0]=3 5419 B14R1.159 CC(=O)OCCOc1ccccc1C 34a_100000210338_100009814007 [0,1,0,0,0,1|1,0,0]=3 5420 B14R1.159 CC(=O)OCCOc1ccccc1C 7a_100000210338_100009814007 [0,1,0,0,0,1|1,0,0]=3 5421 B14R1.159 CC(=O)OCCOc1ccccc1Cl 34a_100000210172_100009814007 [0,1,0,0,0,1|1,0,0]=3 5422 B14R1.159 CC(=O)OCCOc1ccccc1Cl 7a_100000210172_100009814007 [0,1,0,0,0,1|1,0,0]=3 5423 B14R1.159 CC(=O)OCCOc1ccccc1F 34a_100000210171_100009814007 [0,1,0,0,0,1|1,0,0]=3 5424 B14R1.159 CC(=O)OCCOc1ccccc1F 7a_100000210171_100009814007 [0,1,0,0,0,1|1,0,0]=3 5425 B14R1.159 CC(=O)OCCOc1ccccc1I 34a_100000739446_100009814007 [0,1,0,0,0,1|1,0,0]=3 5426 B14R1.159 CC(=O)OCCOc1ccccc1I 7a_100000739446_100009814007 [0,1,0,0,0,1|1,0,0]=3 5427 B14R1.159 CC(=O)OCCOc1ccccc1N 34a_100000185747_100009814007 [0,1,0,0,0,1|1,0,0]=3 5428 B14R1.159 CC(=O)OCCOc1ccccc1N 7a_100000185747_100009814007 [0,1,0,0,0,1|1,0,0]=3 5429 B14R1.159 CC(=O)OCCOc1cccnc1Br 34a_100000744436_100009814007 [0,1,0,0,0,1|2,0,0]=4 5430 B14R1.159 CC(=O)OCCOc1cccnc1Br 7a_100000744436_100009814007 [0,1,0,0,0,1|2,0,0]=4 5431 B14R1.159 CC(=O)OCCOc1cccnc1C 34a_100000745507_100009814007 [0,1,0,0,0,1|2,0,0]=4 5432 B14R1.159 CC(=O)OCCOc1cccnc1C 7a_100000745507_100009814007 [0,1,0,0,0,1|2,0,0]=4 5433 B14R1.159 CC(=O)OCCOc1cccnc1Cl 34a_100000757616_100009814007 [0,1,0,0,0,1|2,0,0]=4 5434 B14R1.159 CC(=O)OCCOc1cccnc1Cl 7a_100000757616_100009814007 [0,1,0,0,0,1|2,0,0]=4 5435 B14R1.159 CC(=O)OCCOc1cccnc1F 34a_100000061740_100009814007 [0,1,0,0,0,1|2,0,0]=4 5436 B14R1.159 CC(=O)OCCOc1cccnc1F 7a_100000061740_100009814007 [0,1,0,0,0,1|2,0,0]=4 5437 B14R1.159 CC(=O)OCCOc1cccnc1I 34a_100000034122_100009814007 [0,1,0,0,0,1|2,0,0]=4 5438 B14R1.159 CC(=O)OCCOc1cccnc1I 7a_100000034122_100009814007 [0,1,0,0,0,1|2,0,0]=4 5439 B14R1.159 CC(=O)OCCOc1cccnc1N 34a_100000211975_100009814007 [0,1,0,0,0,1|2,0,0]=4 5440 B14R1.159 CC(=O)OCCOc1cccnc1N 7a_100000211975_100009814007 [0,1,0,0,0,1|2,0,0]=4 5441 B14R1.159 CC(=O)OCCOc1cccoc1=O 34a_100000077404_100009814007 [0,1,0,0,0,1|2,0,0]=4 5442 B14R1.159 CC(=O)OCCOc1cccoc1=O 7a_100000077404_100009814007 [0,1,0,0,0,1|2,0,0]=4 5443 B14R1.159 CC(=O)OCCOc1ccncc1Br 34a_100011996408_100009814007 [0,1,0,0,0,1|2,0,0]=4 5444 B14R1.159 CC(=O)OCCOc1ccncc1C 34a_100000694293_100009814007 [0,1,0,0,0,1|2,0,0]=4 5445 B14R1.159 CC(=O)OCCOc1ccncc1Cl 34a_100011997054_100009814007 [0,1,0,0,0,1|2,0,0]=4 5446 B14R1.159 CC(=O)OCCOc1ccncc1F 34a_200000081243_100009814007 [0,1,0,0,0,1|2,0,0]=4 5447 B14R1.159 CC(=O)OCCOc1cnccc1C 34a_100011997053_100009814007 [0,1,0,0,0,1|2,0,0]=4 5448 B14R1.159 CC(=O)OCCOc1cnccc1C 7a_100011997053_100009814007 [0,1,0,0,0,1|2,0,0]=4 5449 B14R1.159 CC(=O)OCCOc1cnccc1Cl 34a_100011996695_100009814007 [0,1,0,0,0,1|2,0,0]=4 5450 B14R1.159 CC(=O)OCCOc1cnccc1I 34a_100000050107_100009814007 [0,1,0,0,0,1|2,0,0]=4 5451 B14R1.159 CC(=O)OCCOc1cnccc1N 34a_100000753702_100009814007 [0,1,0,0,0,1|2,0,0]=4 5452 B14R1.159 CC(=O)OCCOc1coccc1=O 34a_100000060831_100009814007 [0,1,0,0,0,1|2,0,0]=4 5453 B14R1.159 CC(=O)OCCOc1ncccc1Cl 34a_100011290957_100009814007 [0,1,0,0,0,1|2,0,0]=4 5454 B14R1.159 CC(=O)OCCOc1ncccc1F 34a_100011219419_100009814007 [0,1,0,0,0,1|2,0,0]=4 5455 B14R1.159 CC(=O)OCCOc1ncccc1N 34a_100000746358_100009814007 [0,1,0,0,0,1|2,0,0]=4 5456 B14R1.159 CC(=O)OCCSc1ccccc1Br 62a_100000695589_100009814007 [0,1,0,0,0,1|1,1,0]=4 5457 B14R1.159 CC(=O)OCCSc1ccccc1Br 62a_100009814007_100000695589 [0,1,0,0,0,1|1,1,0]=4 5458 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100000210755_100009814007 [0,1,0,0,0,1|1,1,0]=4 5459 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100009814007_100000210755 [0,1,0,0,0,1|1,1,0]=4 5460 B14R1.159 CC(=O)OCCSc1ccccc1Cl 62a_100000764095_100009814007 [0,1,0,0,0,1|1,1,0]=4 5461 B14R1.159 CC(=O)OCCSc1ccccc1Cl 62a_100009814007_100000764095 [0,1,0,0,0,1|1,1,0]=4 5462 B14R1.159 CC(=O)OCCSc1ccccc1F 62a_100009814007_100011215700 [0,1,0,0,0,1|1,1,0]=4 5463 B14R1.159 CC(=O)OCCSc1ccccc1F 62a_100011215700_100009814007 [0,1,0,0,0,1|1,1,0]=4 5464 B14R1.159 CC(=O)OCCSc1ccccc1N 62a_100000210017_100009814007 [0,1,0,0,0,1|1,1,0]=4 5465 B14R1.159 CC(=O)OCCSc1ccccc1N 62a_100009814007_100000210017 [0,1,0,0,0,1|1,1,0]=4 5466 B14R1.159 CC(=O)OCCSc1ccccc1O 62a_100000739446_100009814007 [0,1,0,0,0,1|1,1,0]=4 5467 B14R1.159 CC(=O)OCCSc1ccccc1O 62a_100009814007_100000739446 [0,1,0,0,0,1|1,1,0]=4 5468 B14R1.159 CC(=O)OCOCc1ccccc1Br 34a_100000756307_100009813279 [0,1,0,0,0,1|2,0,0]=4 5469 B14R1.159 CC(=O)OCOCc1ccccc1C 34a_100000698903_100009813279 [0,1,0,0,0,1|2,0,0]=4 5470 B14R1.159 CC(=O)OCOCc1ccccc1Cl 34a_100000210847_100009813279 [0,1,0,0,0,1|2,0,0]=4 5471 B14R1.159 CC(=O)OCOCc1ccccc1F 34a_100000211962_100009813279 [0,1,0,0,0,1|2,0,0]=4 5472 B14R1.159 CC(=O)OCOCc1ccccc1I 34a_100000187465_100009813279 [0,1,0,0,0,1|2,0,0]=4 5473 B14R1.159 CC(=O)OCOCc1ccccc1N 34a_100000212039_100009813279 [0,1,0,0,0,1|2,0,0]=4 5474 B14R1.159 CC(O)CCCOc1ccccc1Br 34a_100000181306_200000718107 [0,1,0,0,0,1|1,0,1]=4 5475 B14R1.159 CC(O)CCCOc1ccccc1Br 7a_100000181306_200000718107 [0,1,0,0,0,1|1,0,1]=4 5476 B14R1.159 CC(O)CCCOc1ccccc1Cl 34a_100000210172_200000718107 [0,1,0,0,0,1|1,0,1]=4 5477 B14R1.159 CC(O)CCCOc1ccccc1Cl 7a_100000210172_200000718107 [0,1,0,0,0,1|1,0,1]=4 5478 B14R1.159 CC(O)CCCOc1ccccc1F 34a_100000210171_200000718107 [0,1,0,0,0,1|1,0,1]=4 5479 B14R1.159 CC(O)CCCOc1ccccc1F 7a_100000210171_200000718107 [0,1,0,0,0,1|1,0,1]=4 5480 B14R1.159 CC(O)CCCOc1ccccc1I 34a_100000739446_200000718107 [0,1,0,0,0,1|1,0,1]=4 5481 B14R1.159 CC(O)CCCOc1ccccc1I 7a_100000739446_200000718107 [0,1,0,0,0,1|1,0,1]=4 5482 B14R1.159 CC(O)CCCOc1ccccc1N 34a_100000185747_200000718107 [0,1,0,0,0,1|1,0,1]=4 5483 B14R1.159 CC(O)CCCOc1ccccc1N 7a_100000185747_200000718107 [0,1,0,0,0,1|1,0,1]=4 5484 B14R1.159 CC(O)CCOCc1ccccc1Br 34a_100000756307_100012276601 [0,1,0,0,0,1|1,0,1]=4 5485 B14R1.159 CC(O)CCOCc1ccccc1Br 7a_100000756307_100012276601 [0,1,0,0,0,1|1,0,1]=4 5486 B14R1.159 CC(O)CCOCc1ccccc1Cl 34a_100000210847_100012276601 [0,1,0,0,0,1|1,0,1]=4 5487 B14R1.159 CC(O)CCOCc1ccccc1Cl 7a_100000210847_100012276601 [0,1,0,0,0,1|1,0,1]=4 5488 B14R1.159 CC(O)CCOCc1ccccc1F 34a_100000211962_100012276601 [0,1,0,0,0,1|1,0,1]=4 5489 B14R1.159 CC(O)CCOCc1ccccc1F 7a_100000211962_100012276601 [0,1,0,0,0,1|1,0,1]=4 5490 B14R1.159 CC(O)CCOCc1ccccc1I 34a_100000187465_100012276601 [0,1,0,0,0,1|1,0,1]=4 5491 B14R1.159 CC(O)CCOCc1ccccc1I 7a_100000187465_100012276601 [0,1,0,0,0,1|1,0,1]=4 5492 B14R1.159 CC(O)CCOCc1ccccc1N 34a_100000212039_100012276601 [0,1,0,0,0,1|1,0,1]=4 5493 B14R1.159 Cc1ccccc1CCNCC(=O)N 2230a_100000685071_100000747473 [0,1,0,0,0,1|2,0,0]=4 5494 B14R1.159 Cc1ccccc1CCNCC(=O)N 2230a_100000711301_100011713688 [0,1,0,0,0,1|2,0,0]=4 5495 B14R1.159 Cc1ccccc1CCNCC(=O)N 34a_100000685071_100000187820 [0,1,0,0,0,1|2,0,0]=4 5496 B14R1.159 Cc1ccccc1CCNCC(=O)O 269956a_100016091260_100011713688 [0,1,0,0,0,1|1,0,0]=3 5497 B14R1.159 Cc1ccccc1CCNCC(=O)[O-] 34a_100000685071_100020667443 [0,1,0,0,0,1|1,0,1]=4 5498 B14R1.159 Cc1ccccc1CCOCC(=O)N 34a_100011220023_100000187820 [0,1,0,0,0,1|2,0,0]=4 5499 B14R1.159 Cc1ccccc1CCOCC(=O)N 7a_100011220023_100000187820 [0,1,0,0,0,1|2,0,0]=4 5500 B14R1.159 Cc1ccccc1CCOCC(=O)[O-] 34a_100011220023_100020667443 [0,1,0,0,0,1|1,0,1]=4 5501 B14R1.159 Cc1ccccc1CCSCC(=O)N 62a_100000747473_100011713688 [0,1,0,0,0,1|2,0,0]=4 5502 B14R1.159 Cc1ccccc1CCSCC(=O)N 62a_100011713688_100000747473 [0,1,0,0,0,1|2,0,0]=4 5503 B14R1.159 Cc1ccccc1CCSCC(=O)[O-] 62a_100011713688_100020667443 [0,1,0,0,0,1|1,0,1]=4 5504 B14R1.159 Cc1ccccc1CCSCC(=O)[O-] 62a_100020667443_100011713688 [0,1,0,0,0,1|1,0,1]=4 5505 B14R1.159 Cc1ccccc1CNCCC(=O)N 207a_100000740010_100000211143 [0,1,0,0,0,1|2,0,0]=4 5506 B14R1.159 Cc1ccccc1CNCCC(=O)N 34a_100000174972_100000731001 [0,1,0,0,0,1|2,0,0]=4 5507 B14R1.159 Cc1ccccc1CNOCC(=O)O 269956a_100000106656_100000211750 [0,1,0,0,0,1|2,0,0]=4 5508 B14R1.159 Cc1ccccc1COCCC(=O)N 34a_100000698903_100000731001 [0,1,0,0,0,1|1,0,0]=3 5509 B14R1.159 Cc1ccccc1COCCC(=O)N 34a_100000757172_100000211839 [0,1,0,0,0,1|1,0,0]=3 5510 B14R1.159 Cc1ccccc1COCCC(=O)N 7a_100000698903_100000744528 [0,1,0,0,0,1|1,0,0]=3 5511 B14R1.159 Cc1ccccc1COCCC(=O)N 7a_100000757172_100000211839 [0,1,0,0,0,1|1,0,0]=3 5512 B14R1.159 Cc1ccccc1COCCC(C)O 34a_100000698903_100012276601 [0,1,0,0,0,1|1,0,1]=4 5513 B14R1.159 Cc1ccccc1COCCC(C)O 7a_100000698903_100012276601 [0,1,0,0,0,1|1,0,1]=4 5514 B14R1.159 Cc1ccccc1CSCCC(=O)N 62a_100000211839_100000744528 [0,1,0,0,0,1|1,1,0]=4 5515 B14R1.159 Cc1ccccc1CSCCC(=O)N 62a_100000744528_100000211839 [0,1,0,0,0,1|1,1,0]=4 5516 B14R1.159 Cc1ccccc1NCCCC(=O)N 34a_100015192222_100102525003 [0,1,0,0,0,1|2,0,0]=4 5517 B14R1.159 Cc1ccccc1NCCOC(=O)N 34a_100015192222_200011214921 [0,1,0,0,0,1|2,0,0]=4 5518 B14R1.159 Cc1ccccc1OCCC=C(F)F 34a_100000210338_200009816681 [0,1,0,0,0,1|2,0,0]=4 5519 B14R1.159 Cc1ccccc1OCCC=C(F)F 7a_100000210338_200009816681 [0,1,0,0,0,1|2,0,0]=4 5520 B14R1.159 Cc1ccccc1OCCCC(=O)N 34a_100000210338_100102525003 [0,1,0,0,0,1|1,0,0]=3 5521 B14R1.159 Cc1ccccc1OCCCC(=O)N 7a_100000210338_100102525003 [0,1,0,0,0,1|1,0,0]=3 5522 B14R1.159 Cc1ccccc1OCCCC(=O)[13CH3] 1458a_100000735866_200025704644 [0,1,0,0,0,1|1,0,0]=3 5523 B14R1.159 Cc1ccccc1OCCCC(C)O 34a_100000210338_200000718107 [0,1,0,0,0,1|1,0,1]=4 5524 B14R1.159 Cc1ccccc1OCCCC(C)O 7a_100000210338_200000718107 [0,1,0,0,0,1|1,0,1]=4 5525 B14R1.159 Cc1ccccc1OCCNC(=O)N 7a_100000210338_200000034859 [0,1,0,0,0,1|1,0,0]=3 5526 B14R1.159 Cc1ccccc1OCCOC(=O)N 34a_100000210338_200011214921 [0,1,0,0,0,1|1,0,0]=3 5527 B14R1.159 Cc1ccccc1OCCOC(=O)N 7a_100000210338_200011214921 [0,1,0,0,0,1|1,0,0]=3 5528 B14R1.159 Cc1ccccc1SCCCC(=O)N 62a_100000210755_100102525003 [0,1,0,0,0,1|1,1,0]=4 5529 B14R1.159 Cc1ccccc1SCCCC(=O)N 62a_100102525003_100000210755 [0,1,0,0,0,1|1,1,0]=4 5530 B14R1.159 Cc1ccccc1SCCNC(=O)N 62a_100000210755_200000034859 [0,1,0,0,0,1|1,1,0]=4 5531 B14R1.159 Cc1ccccc1SCCNC(=O)N 62a_200000034859_100000210755 [0,1,0,0,0,1|1,1,0]=4 5532 B14R1.159 Cc1ccccc1SCCOC(=O)N 62a_100000210755_200011214921 [0,1,0,0,0,1|1,1,0]=4 5533 B14R1.159 Cc1ccccc1SCCOC(=O)N 62a_200011214921_100000210755 [0,1,0,0,0,1|1,1,0]=4 5534 B14R1.159 Cc1cccnc1COCCC(=O)N 34a_100000698912_100000731001 [0,1,0,0,0,1|2,0,0]=4 5535 B14R1.159 Cc1cccnc1COCCC(=O)N 34a_100000757172_100000696600 [0,1,0,0,0,1|2,0,0]=4 5536 B14R1.159 Cc1cccnc1COCCC(=O)N 7a_100000757172_100000696600 [0,1,0,0,0,1|2,0,0]=4 5537 B14R1.159 Cc1ccncc1COCCC(=O)N 34a_100000757172_100000690890 [0,1,0,0,0,1|2,0,0]=4 5538 B14R1.159 Cc1ccncc1COCCC(=O)N 34a_100011996381_100000731001 [0,1,0,0,0,1|2,0,0]=4 5539 B14R1.159 Cc1ccncc1COCCC(=O)N 7a_100000757172_100000690890 [0,1,0,0,0,1|2,0,0]=4 5540 B14R1.159 Cc1ccncc1OCCCC(=O)N 34a_100011997053_100102525003 [0,1,0,0,0,1|2,0,0]=4 5541 B14R1.159 Cc1ccncc1OCCCC(=O)N 7a_100011997053_100102525003 [0,1,0,0,0,1|2,0,0]=4 5542 B14R1.159 Cc1ccncc1OCCNC(=O)N 7a_100011997053_200000034859 [0,1,0,0,0,1|2,0,0]=4 5543 B14R1.159 Cc1ccncc1OCCOC(=O)N 34a_100011997053_200011214921 [0,1,0,0,0,1|2,0,0]=4 5544 B14R1.159 Cc1ccncc1OCCOC(=O)N 7a_100011997053_200011214921 [0,1,0,0,0,1|2,0,0]=4 5545 B14R1.159 Cc1cnccc1COCCC(=O)N 34a_100000757172_100020672809 [0,1,0,0,0,1|2,0,0]=4 5546 B14R1.159 Cc1cnccc1COCCC(=O)N 34a_100011997032_100000731001 [0,1,0,0,0,1|2,0,0]=4 5547 B14R1.159 Cc1cnccc1COCCC(=O)N 7a_100000757172_100020672808 [0,1,0,0,0,1|2,0,0]=4 5548 B14R1.159 Cc1cnccc1OCCCC(=O)N 34a_100000694293_100102525003 [0,1,0,0,0,1|2,0,0]=4 5549 B14R1.159 Cc1cnccc1OCCOC(=O)N 34a_100000694293_200011214921 [0,1,0,0,0,1|2,0,0]=4 5550 B14R1.159 Cc1ncccc1COCCC(=O)N 34a_100000729262_100000731001 [0,1,0,0,0,1|2,0,0]=4 5551 B14R1.159 Cc1ncccc1COCCC(=O)N 34a_100000757172_100000732876 [0,1,0,0,0,1|2,0,0]=4 5552 B14R1.159 Cc1ncccc1COCCC(=O)N 7a_100000729262_100000744528 [0,1,0,0,0,1|2,0,0]=4 5553 B14R1.159 Cc1ncccc1COCCC(=O)N 7a_100000757172_100000732876 [0,1,0,0,0,1|2,0,0]=4 5554 B14R1.159 Cc1ncccc1OCCCC(=O)N 34a_100000745507_100102525003 [0,1,0,0,0,1|2,0,0]=4 5555 B14R1.159 Cc1ncccc1OCCCC(=O)N 7a_100000745507_100102525003 [0,1,0,0,0,1|2,0,0]=4 5556 B14R1.159 Cc1ncccc1OCCNC(=O)N 7a_100000745507_200000034859 [0,1,0,0,0,1|2,0,0]=4 5557 B14R1.159 Cc1ncccc1OCCOC(=O)N 34a_100000745507_200011214921 [0,1,0,0,0,1|2,0,0]=4 5558 B14R1.159 Cc1ncccc1OCCOC(=O)N 7a_100000745507_200011214921 [0,1,0,0,0,1|2,0,0]=4 5559 B14R1.159 FC(=CCCOc1ccccc1Br)F 34a_100000181306_200009816681 [0,1,0,0,0,1|2,0,0]=4 5560 B14R1.159 FC(=CCCOc1ccccc1Br)F 7a_100000181306_200009816681 [0,1,0,0,0,1|2,0,0]=4 5561 B14R1.159 FC(=CCCOc1ccccc1Cl)F 34a_100000210172_200009816681 [0,1,0,0,0,1|2,0,0]=4 5562 B14R1.159 FC(=CCCOc1ccccc1Cl)F 7a_100000210172_200009816681 [0,1,0,0,0,1|2,0,0]=4 5563 B14R1.159 FC(=CCCOc1ccccc1F)F 34a_100000210171_200009816681 [0,1,0,0,0,1|2,0,0]=4 5564 B14R1.159 FC(=CCCOc1ccccc1F)F 7a_100000210171_200009816681 [0,1,0,0,0,1|2,0,0]=4 5565 B14R1.159 FC(=CCCOc1ccccc1I)F 34a_100000739446_200009816681 [0,1,0,0,0,1|2,0,0]=4 5566 B14R1.159 FC(=CCCOc1ccccc1I)F 7a_100000739446_200009816681 [0,1,0,0,0,1|2,0,0]=4 5567 B14R1.159 NC(=O)CCCNc1ccccc1Br 34a_100000210017_100102525003 [0,1,0,0,0,1|2,0,0]=4 5568 B14R1.159 NC(=O)CCCNc1ccccc1Cl 34a_100000185783_100102525003 [0,1,0,0,0,1|2,0,0]=4 5569 B14R1.159 NC(=O)CCCNc1ccccc1F 34a_100000210422_100102525003 [0,1,0,0,0,1|2,0,0]=4 5570 B14R1.159 NC(=O)CCCNc1ccccc1I 34a_100000210053_100102525003 [0,1,0,0,0,1|2,0,0]=4 5571 B14R1.159 NC(=O)CCCNc1ccccc1O 34a_100000185747_100102525003 [0,1,0,0,0,1|2,0,0]=4 5572 B14R1.159 NC(=O)CCCOc1cccc[n+]1[O-] 7a_100000211761_100102525003 [0,1,0,0,0,1|2,0,0]=4 5573 B14R1.159 NC(=O)CCCOc1ccccc1Br 34a_100000181306_100102525003 [0,1,0,0,0,1|1,0,0]=3 5574 B14R1.159 NC(=O)CCCOc1ccccc1Br 7a_100000181306_100102525003 [0,1,0,0,0,1|1,0,0]=3 5575 B14R1.159 NC(=O)CCCOc1ccccc1Cl 34a_100000210172_100102525003 [0,1,0,0,0,1|1,0,0]=3 5576 B14R1.159 NC(=O)CCCOc1ccccc1Cl 7a_100000210172_100102525003 [0,1,0,0,0,1|1,0,0]=3 5577 B14R1.159 NC(=O)CCCOc1ccccc1F 34a_100000210171_100102525003 [0,1,0,0,0,1|1,0,0]=3 5578 B14R1.159 NC(=O)CCCOc1ccccc1F 7a_100000210171_100102525003 [0,1,0,0,0,1|1,0,0]=3 5579 B14R1.159 NC(=O)CCCOc1ccccc1I 34a_100000739446_100102525003 [0,1,0,0,0,1|1,0,0]=3 5580 B14R1.159 NC(=O)CCCOc1ccccc1I 7a_100000739446_100102525003 [0,1,0,0,0,1|1,0,0]=3 5581 B14R1.159 NC(=O)CCCOc1ccccc1N 34a_100000185747_100102525003 [0,1,0,0,0,1|1,0,0]=3 5582 B14R1.159 NC(=O)CCCOc1ccccc1N 7a_100000185747_100102525003 [0,1,0,0,0,1|1,0,0]=3 5583 B14R1.159 NC(=O)CCCOc1cccnc1Br 34a_100000744436_100102525003 [0,1,0,0,0,1|2,0,0]=4 5584 B14R1.159 NC(=O)CCCOc1cccnc1Br 7a_100000744436_100102525003 [0,1,0,0,0,1|2,0,0]=4 5585 B14R1.159 NC(=O)CCCOc1cccnc1Cl 34a_100000757616_100102525003 [0,1,0,0,0,1|2,0,0]=4 5586 B14R1.159 NC(=O)CCCOc1cccnc1Cl 7a_100000757616_100102525003 [0,1,0,0,0,1|2,0,0]=4 5587 B14R1.159 NC(=O)CCCOc1cccnc1F 34a_100000061740_100102525003 [0,1,0,0,0,1|2,0,0]=4 5588 B14R1.159 NC(=O)CCCOc1cccnc1F 7a_100000061740_100102525003 [0,1,0,0,0,1|2,0,0]=4 5589 B14R1.159 NC(=O)CCCOc1cccnc1I 34a_100000034122_100102525003 [0,1,0,0,0,1|2,0,0]=4 5590 B14R1.159 NC(=O)CCCOc1cccnc1I 7a_100000034122_100102525003 [0,1,0,0,0,1|2,0,0]=4 5591 B14R1.159 NC(=O)CCCOc1cccnc1N 34a_100000211975_100102525003 [0,1,0,0,0,1|2,0,0]=4 5592 B14R1.159 NC(=O)CCCOc1cccnc1N 7a_100000211975_100102525003 [0,1,0,0,0,1|2,0,0]=4 5593 B14R1.159 NC(=O)CCCOc1cccoc1=O 34a_100000077404_100102525003 [0,1,0,0,0,1|2,0,0]=4 5594 B14R1.159 NC(=O)CCCOc1cccoc1=O 7a_100000077404_100102525003 [0,1,0,0,0,1|2,0,0]=4 5595 B14R1.159 NC(=O)CCCOc1ccncc1Br 34a_100011996408_100102525003 [0,1,0,0,0,1|2,0,0]=4 5596 B14R1.159 NC(=O)CCCOc1ccncc1Cl 34a_100011997054_100102525003 [0,1,0,0,0,1|2,0,0]=4 5597 B14R1.159 NC(=O)CCCOc1ccncc1F 34a_200000081243_100102525003 [0,1,0,0,0,1|2,0,0]=4 5598 B14R1.159 NC(=O)CCCOc1cnccc1Cl 34a_100011996695_100102525003 [0,1,0,0,0,1|2,0,0]=4 5599 B14R1.159 NC(=O)CCCOc1cnccc1I 34a_100000050107_100102525003 [0,1,0,0,0,1|2,0,0]=4 5600 B14R1.159 NC(=O)CCCOc1cnccc1N 34a_100000753702_100102525003 [0,1,0,0,0,1|2,0,0]=4 5601 B14R1.159 NC(=O)CCCOc1coccc1=O 34a_100000060831_100102525003 [0,1,0,0,0,1|2,0,0]=4 5602 B14R1.159 NC(=O)CCCOc1ncccc1Cl 34a_100011290957_100102525003 [0,1,0,0,0,1|2,0,0]=4 5603 B14R1.159 NC(=O)CCCOc1ncccc1F 34a_100011219419_100102525003 [0,1,0,0,0,1|2,0,0]=4 5604 B14R1.159 NC(=O)CCCOc1ncccc1N 34a_100000746358_100102525003 [0,1,0,0,0,1|2,0,0]=4 5605 B14R1.159 NC(=O)CCCSc1ccccc1Br 62a_100000695589_100102525003 [0,1,0,0,0,1|1,1,0]=4 5606 B14R1.159 NC(=O)CCCSc1ccccc1Br 62a_100102525003_100000695589 [0,1,0,0,0,1|1,1,0]=4 5607 B14R1.159 NC(=O)CCCSc1ccccc1Cl 62a_100000764095_100102525003 [0,1,0,0,0,1|1,1,0]=4 5608 B14R1.159 NC(=O)CCCSc1ccccc1Cl 62a_100102525003_100000764095 [0,1,0,0,0,1|1,1,0]=4 5609 B14R1.159 NC(=O)CCCSc1ccccc1F 62a_100011215700_100102525003 [0,1,0,0,0,1|1,1,0]=4 5610 B14R1.159 NC(=O)CCCSc1ccccc1F 62a_100102525003_100011215700 [0,1,0,0,0,1|1,1,0]=4 5611 B14R1.159 NC(=O)CCCSc1ccccc1N 62a_100000210017_100102525003 [0,1,0,0,0,1|1,1,0]=4 5612 B14R1.159 NC(=O)CCCSc1ccccc1N 62a_100102525003_100000210017 [0,1,0,0,0,1|1,1,0]=4 5613 B14R1.159 NC(=O)CCCSc1ccccc1O 62a_100000739446_100102525003 [0,1,0,0,0,1|1,1,0]=4 5614 B14R1.159 NC(=O)CCCSc1ccccc1O 62a_100102525003_100000739446 [0,1,0,0,0,1|1,1,0]=4 5615 B14R1.159 NC(=O)CCNCc1ccccc1Br 207a_100000740010_100000211189 [0,1,0,0,0,1|2,0,0]=4 5616 B14R1.159 NC(=O)CCNCc1ccccc1Br 2230a_100000689332_100000744528 [0,1,0,0,0,1|2,0,0]=4 5617 B14R1.159 NC(=O)CCNCc1ccccc1Br 34a_100000689332_100000731001 [0,1,0,0,0,1|2,0,0]=4 5618 B14R1.159 NC(=O)CCNCc1ccccc1Cl 207a_100000740010_100000210073 [0,1,0,0,0,1|2,0,0]=4 5619 B14R1.159 NC(=O)CCNCc1ccccc1Cl 2230a_100000174879_100000744528 [0,1,0,0,0,1|2,0,0]=4 5620 B14R1.159 NC(=O)CCNCc1ccccc1Cl 34a_100000174879_100000731001 [0,1,0,0,0,1|2,0,0]=4 5621 B14R1.159 NC(=O)CCNCc1ccccc1F 207a_100000740010_100000210811 [0,1,0,0,0,1|2,0,0]=4 5622 B14R1.159 NC(=O)CCNCc1ccccc1F 34a_100000174869_100000731001 [0,1,0,0,0,1|2,0,0]=4 5623 B14R1.159 NC(=O)CCNCc1ccccc1I 207a_100000740010_100000010305 [0,1,0,0,0,1|2,0,0]=4 5624 B14R1.159 NC(=O)CCNCc1ccccc1O 34a_100000185550_100000731001 [0,1,0,0,0,1|2,0,0]=4 5625 B14R1.159 NC(=O)CCOCc1ccccc1Br 34a_100000756307_100000731001 [0,1,0,0,0,1|1,0,0]=3 5626 B14R1.159 NC(=O)CCOCc1ccccc1Br 34a_100000757172_100000184730 [0,1,0,0,0,1|1,0,0]=3 5627 B14R1.159 NC(=O)CCOCc1ccccc1Br 7a_100000756307_100000744528 [0,1,0,0,0,1|1,0,0]=3 5628 B14R1.159 NC(=O)CCOCc1ccccc1Br 7a_100000757172_100000184730 [0,1,0,0,0,1|1,0,0]=3 5629 B14R1.159 NC(=O)CCOCc1ccccc1Cl 34a_100000210847_100000731001 [0,1,0,0,0,1|1,0,0]=3 5630 B14R1.159 NC(=O)CCOCc1ccccc1Cl 34a_100000757172_100000187162 [0,1,0,0,0,1|1,0,0]=3 5631 B14R1.159 NC(=O)CCOCc1ccccc1Cl 7a_100000210847_100000744528 [0,1,0,0,0,1|1,0,0]=3 5632 B14R1.159 NC(=O)CCOCc1ccccc1Cl 7a_100000757172_100000187162 [0,1,0,0,0,1|1,0,0]=3 5633 B14R1.159 NC(=O)CCOCc1ccccc1F 34a_100000211962_100000731001 [0,1,0,0,0,1|1,0,0]=3 5634 B14R1.159 NC(=O)CCOCc1ccccc1F 34a_100000757172_100000211605 [0,1,0,0,0,1|1,0,0]=3 5635 B14R1.159 NC(=O)CCOCc1ccccc1F 7a_100000211962_100000744528 [0,1,0,0,0,1|1,0,0]=3 5636 B14R1.159 NC(=O)CCOCc1ccccc1F 7a_100000757172_100000211605 [0,1,0,0,0,1|1,0,0]=3 5637 B14R1.159 NC(=O)CCOCc1ccccc1I 34a_100000187465_100000731001 [0,1,0,0,0,1|1,0,0]=3 5638 B14R1.159 NC(=O)CCOCc1ccccc1I 34a_100000757172_100011215278 [0,1,0,0,0,1|1,0,0]=3 5639 B14R1.159 NC(=O)CCOCc1ccccc1I 7a_100000187465_100000744528 [0,1,0,0,0,1|1,0,0]=3 5640 B14R1.159 NC(=O)CCOCc1ccccc1I 7a_100000757172_100011215278 [0,1,0,0,0,1|1,0,0]=3 5641 B14R1.159 NC(=O)CCOCc1ccccc1N 34a_100000212039_100000731001 [0,1,0,0,0,1|1,0,0]=3 5642 B14R1.159 NC(=O)CCOCc1cccnc1Br 34a_100000719692_100000731001 [0,1,0,0,0,1|2,0,0]=4 5643 B14R1.159 NC(=O)CCOCc1cccnc1Br 34a_100000757172_100010140945 [0,1,0,0,0,1|2,0,0]=4 5644 B14R1.159 NC(=O)CCOCc1cccnc1Br 7a_100000719692_100000744528 [0,1,0,0,0,1|2,0,0]=4 5645 B14R1.159 NC(=O)CCOCc1cccnc1Br 7a_100000757172_100010140945 [0,1,0,0,0,1|2,0,0]=4 5646 B14R1.159 NC(=O)CCOCc1cccnc1Cl 34a_100000748726_100000731001 [0,1,0,0,0,1|2,0,0]=4 5647 B14R1.159 NC(=O)CCOCc1cccnc1Cl 34a_100000757172_100000045678 [0,1,0,0,0,1|2,0,0]=4 5648 B14R1.159 NC(=O)CCOCc1cccnc1Cl 7a_100000748726_100000744528 [0,1,0,0,0,1|2,0,0]=4 5649 B14R1.159 NC(=O)CCOCc1cccnc1Cl 7a_100000757172_100000045678 [0,1,0,0,0,1|2,0,0]=4 5650 B14R1.159 NC(=O)CCOCc1cccnc1F 34a_100000079888_100000731001 [0,1,0,0,0,1|2,0,0]=4 5651 B14R1.159 NC(=O)CCOCc1cccnc1F 34a_100000757172_100000099810 [0,1,0,0,0,1|2,0,0]=4 5652 B14R1.159 NC(=O)CCOCc1cccnc1F 7a_100000079888_100000744528 [0,1,0,0,0,1|2,0,0]=4 5653 B14R1.159 NC(=O)CCOCc1cccnc1F 7a_100000757172_100000099810 [0,1,0,0,0,1|2,0,0]=4 5654 B14R1.159 NC(=O)CCOCc1ccncc1Cl 7a_100000757172_100000763264 [0,1,0,0,0,1|2,0,0]=4 5655 B14R1.159 NC(=O)CCOCc1ccncc1F 34a_100012172863_100000731001 [0,1,0,0,0,1|2,0,0]=4 5656 B14R1.159 NC(=O)CCOCc1cnccc1Cl 34a_100000117392_100000731001 [0,1,0,0,0,1|2,0,0]=4 5657 B14R1.159 NC(=O)CCOCc1ncccc1Br 34a_100000757172_100025702911 [0,1,0,0,0,1|2,0,0]=4 5658 B14R1.159 NC(=O)CCOCc1ncccc1Br 34a_100011996772_100000731001 [0,1,0,0,0,1|2,0,0]=4 5659 B14R1.159 NC(=O)CCOCc1ncccc1Br 7a_100000757172_100025702911 [0,1,0,0,0,1|2,0,0]=4 5660 B14R1.159 NC(=O)CCOCc1ncccc1Cl 34a_100012002383_100000731001 [0,1,0,0,0,1|2,0,0]=4 5661 B14R1.159 NC(=O)CCOCc1ncccc1Cl 7a_100000757172_100000099807 [0,1,0,0,0,1|2,0,0]=4 5662 B14R1.159 NC(=O)CCOCc1ncccc1F 34a_100000757172_100000104219 [0,1,0,0,0,1|2,0,0]=4 5663 B14R1.159 NC(=O)CCOCc1ncccc1F 34a_100011934865_100000731001 [0,1,0,0,0,1|2,0,0]=4 5664 B14R1.159 NC(=O)CCOCc1ncccc1F 7a_100000757172_100000104219 [0,1,0,0,0,1|2,0,0]=4 5665 B14R1.159 NC(=O)CCOCc1ncccc1N 34a_114873767017_100000731001 [0,1,0,0,0,1|2,0,0]=4 5666 B14R1.159 NC(=O)CCOCc1ncccc1O 34a_100000757172_200020655725 [0,1,0,0,0,1|2,0,0]=4 5667 B14R1.159 NC(=O)CCOCc1ncccc1O 7a_100000757172_200020655725 [0,1,0,0,0,1|2,0,0]=4 5668 B14R1.159 NC(=O)CCSCc1ccccc1Br 62a_100000184730_100000744528 [0,1,0,0,0,1|1,1,0]=4 5669 B14R1.159 NC(=O)CCSCc1ccccc1Br 62a_100000744528_100000184730 [0,1,0,0,0,1|1,1,0]=4 5670 B14R1.159 NC(=O)CCSCc1ccccc1Cl 62a_100000187162_100000744528 [0,1,0,0,0,1|1,1,0]=4 5671 B14R1.159 NC(=O)CCSCc1ccccc1Cl 62a_100000744528_100000187162 [0,1,0,0,0,1|1,1,0]=4 5672 B14R1.159 NC(=O)CCSCc1ccccc1F 62a_100000211605_100000744528 [0,1,0,0,0,1|1,1,0]=4 5673 B14R1.159 NC(=O)CCSCc1ccccc1F 62a_100000744528_100000211605 [0,1,0,0,0,1|1,1,0]=4 5674 B14R1.159 NC(=O)CCSCc1ccccc1I 62a_100000744528_100011216222 [0,1,0,0,0,1|1,1,0]=4 5675 B14R1.159 NC(=O)CCSCc1ccccc1I 62a_100011216222_100000744528 [0,1,0,0,0,1|1,1,0]=4 5676 B14R1.159 NC(=O)CNCCc1ccccc1Br 2230a_100000711301_100012161201 [0,1,0,0,0,1|2,0,0]=4 5677 B14R1.159 NC(=O)CNCCc1ccccc1Br 2230a_100000747383_100000747473 [0,1,0,0,0,1|2,0,0]=4 5678 B14R1.159 NC(=O)CNCCc1ccccc1Br 34a_100000747383_100000187820 [0,1,0,0,0,1|2,0,0]=4 5679 B14R1.159 NC(=O)CNCCc1ccccc1Cl 2230a_100000711301_100011713703 [0,1,0,0,0,1|2,0,0]=4 5680 B14R1.159 NC(=O)CNCCc1ccccc1Cl 2230a_100011207228_100000747473 [0,1,0,0,0,1|2,0,0]=4 5681 B14R1.159 NC(=O)CNCCc1ccccc1Cl 34a_100011207228_100000187820 [0,1,0,0,0,1|2,0,0]=4 5682 B14R1.159 NC(=O)CNCCc1ccccc1F 2230a_100000185272_100000747473 [0,1,0,0,0,1|2,0,0]=4 5683 B14R1.159 NC(=O)CNCCc1ccccc1F 2230a_100000711301_100011713696 [0,1,0,0,0,1|2,0,0]=4 5684 B14R1.159 NC(=O)CNCCc1ccccc1F 34a_100000185272_100000187820 [0,1,0,0,0,1|2,0,0]=4 5685 B14R1.159 NC(=O)CNCCc1ccccc1O 34a_100011207237_100000187820 [0,1,0,0,0,1|2,0,0]=4 5686 B14R1.159 NC(=O)COCCc1ccccc1Br 34a_100000731337_100000187820 [0,1,0,0,0,1|2,0,0]=4 5687 B14R1.159 NC(=O)COCCc1ccccc1Br 7a_100000731337_100000187820 [0,1,0,0,0,1|2,0,0]=4 5688 B14R1.159 NC(=O)COCCc1ccccc1Cl 34a_100011215284_100000187820 [0,1,0,0,0,1|2,0,0]=4 5689 B14R1.159 NC(=O)COCCc1ccccc1Cl 7a_100011215284_100000187820 [0,1,0,0,0,1|2,0,0]=4 5690 B14R1.159 NC(=O)COCCc1ccccc1F 34a_100000753711_100000187820 [0,1,0,0,0,1|2,0,0]=4 5691 B14R1.159 NC(=O)COCCc1ccccc1F 7a_100000753711_100000187820 [0,1,0,0,0,1|2,0,0]=4 5692 B14R1.159 NC(=O)COCCc1ccccc1I 34a_100010255290_100000187820 [0,1,0,0,0,1|2,0,0]=4 5693 B14R1.159 NC(=O)COCCc1ccccc1I 7a_100010255290_100000187820 [0,1,0,0,0,1|2,0,0]=4 5694 B14R1.159 NC(=O)COCCc1ccccc1N 34a_100011215289_100000187820 [0,1,0,0,0,1|2,0,0]=4 5695 B14R1.159 NC(=O)CSCCc1ccccc1Br 62a_100000747473_100012161201 [0,1,0,0,0,1|2,0,0]=4 5696 B14R1.159 NC(=O)CSCCc1ccccc1Br 62a_100012161201_100000747473 [0,1,0,0,0,1|2,0,0]=4 5697 B14R1.159 NC(=O)CSCCc1ccccc1Cl 62a_100000747473_100011713703 [0,1,0,0,0,1|2,0,0]=4 5698 B14R1.159 NC(=O)CSCCc1ccccc1Cl 62a_100011713703_100000747473 [0,1,0,0,0,1|2,0,0]=4 5699 B14R1.159 NC(=O)CSCCc1ccccc1F 62a_100000747473_100011713696 [0,1,0,0,0,1|2,0,0]=4 5700 B14R1.159 NC(=O)CSCCc1ccccc1F 62a_100011713696_100000747473 [0,1,0,0,0,1|2,0,0]=4 5701 B14R1.159 NC(=O)CSCCc1ccccc1O 62a_100000722297_100000747473 [0,1,0,0,0,1|2,0,0]=4 5702 B14R1.159 NC(=O)CSCCc1ccccc1O 62a_100000747473_100000722297 [0,1,0,0,0,1|2,0,0]=4 5703 B14R1.159 NC(=O)NCCOc1cccc[n+]1[O-] 7a_100000211761_200000034859 [0,1,0,0,0,1|2,0,0]=4 5704 B14R1.159 NC(=O)NCCOc1ccccc1Br 7a_100000181306_200000034859 [0,1,0,0,0,1|1,0,0]=3 5705 B14R1.159 NC(=O)NCCOc1ccccc1Cl 7a_100000210172_200000034859 [0,1,0,0,0,1|1,0,0]=3 5706 B14R1.159 NC(=O)NCCOc1ccccc1F 7a_100000210171_200000034859 [0,1,0,0,0,1|1,0,0]=3 5707 B14R1.159 NC(=O)NCCOc1ccccc1I 7a_100000739446_200000034859 [0,1,0,0,0,1|1,0,0]=3 5708 B14R1.159 NC(=O)NCCOc1ccccc1N 7a_100000185747_200000034859 [0,1,0,0,0,1|1,0,0]=3 5709 B14R1.159 NC(=O)NCCOc1cccnc1Br 7a_100000744436_200000034859 [0,1,0,0,0,1|2,0,0]=4 5710 B14R1.159 NC(=O)NCCOc1cccnc1Cl 7a_100000757616_200000034859 [0,1,0,0,0,1|2,0,0]=4 5711 B14R1.159 NC(=O)NCCOc1cccnc1F 7a_100000061740_200000034859 [0,1,0,0,0,1|2,0,0]=4 5712 B14R1.159 NC(=O)NCCOc1cccnc1I 7a_100000034122_200000034859 [0,1,0,0,0,1|2,0,0]=4 5713 B14R1.159 NC(=O)NCCOc1cccnc1N 7a_100000211975_200000034859 [0,1,0,0,0,1|2,0,0]=4 5714 B14R1.159 NC(=O)NCCOc1cccoc1=O 7a_100000077404_200000034859 [0,1,0,0,0,1|2,0,0]=4 5715 B14R1.159 NC(=O)NCCSc1ccccc1Br 62a_100000695589_200000034859 [0,1,0,0,0,1|1,1,0]=4 5716 B14R1.159 NC(=O)NCCSc1ccccc1Br 62a_200000034859_100000695589 [0,1,0,0,0,1|1,1,0]=4 5717 B14R1.159 NC(=O)NCCSc1ccccc1Cl 62a_100000764095_200000034859 [0,1,0,0,0,1|1,1,0]=4 5718 B14R1.159 NC(=O)NCCSc1ccccc1Cl 62a_200000034859_100000764095 [0,1,0,0,0,1|1,1,0]=4 5719 B14R1.159 NC(=O)NCCSc1ccccc1F 62a_100011215700_200000034859 [0,1,0,0,0,1|1,1,0]=4 5720 B14R1.159 NC(=O)NCCSc1ccccc1F 62a_200000034859_100011215700 [0,1,0,0,0,1|1,1,0]=4 5721 B14R1.159 NC(=O)NCCSc1ccccc1N 62a_100000210017_200000034859 [0,1,0,0,0,1|1,1,0]=4 5722 B14R1.159 NC(=O)NCCSc1ccccc1N 62a_200000034859_100000210017 [0,1,0,0,0,1|1,1,0]=4 5723 B14R1.159 NC(=O)NCCSc1ccccc1O 62a_100000739446_200000034859 [0,1,0,0,0,1|1,1,0]=4 5724 B14R1.159 NC(=O)NCCSc1ccccc1O 62a_200000034859_100000739446 [0,1,0,0,0,1|1,1,0]=4 5725 B14R1.159 NC(=O)OCCNc1ccccc1Br 34a_100000210017_200011214921 [0,1,0,0,0,1|2,0,0]=4 5726 B14R1.159 NC(=O)OCCNc1ccccc1Cl 34a_100000185783_200011214921 [0,1,0,0,0,1|2,0,0]=4 5727 B14R1.159 NC(=O)OCCNc1ccccc1F 34a_100000210422_200011214921 [0,1,0,0,0,1|2,0,0]=4 5728 B14R1.159 NC(=O)OCCNc1ccccc1I 34a_100000210053_200011214921 [0,1,0,0,0,1|2,0,0]=4 5729 B14R1.159 NC(=O)OCCNc1ccccc1O 34a_100000185747_200011214921 [0,1,0,0,0,1|2,0,0]=4 5730 B14R1.159 NC(=O)OCCOc1cccc[n+]1[O-] 7a_100000211761_200011214921 [0,1,0,0,0,1|2,0,0]=4 5731 B14R1.159 NC(=O)OCCOc1ccccc1Br 34a_100000181306_200011214921 [0,1,0,0,0,1|1,0,0]=3 5732 B14R1.159 NC(=O)OCCOc1ccccc1Br 7a_100000181306_200011214921 [0,1,0,0,0,1|1,0,0]=3 5733 B14R1.159 NC(=O)OCCOc1ccccc1Cl 34a_100000210172_200011214921 [0,1,0,0,0,1|1,0,0]=3 5734 B14R1.159 NC(=O)OCCOc1ccccc1Cl 7a_100000210172_200011214921 [0,1,0,0,0,1|1,0,0]=3 5735 B14R1.159 NC(=O)OCCOc1ccccc1F 34a_100000210171_200011214921 [0,1,0,0,0,1|1,0,0]=3 5736 B14R1.159 NC(=O)OCCOc1ccccc1F 7a_100000210171_200011214921 [0,1,0,0,0,1|1,0,0]=3 5737 B14R1.159 NC(=O)OCCOc1ccccc1I 34a_100000739446_200011214921 [0,1,0,0,0,1|1,0,0]=3 5738 B14R1.159 NC(=O)OCCOc1ccccc1I 7a_100000739446_200011214921 [0,1,0,0,0,1|1,0,0]=3 5739 B14R1.159 NC(=O)OCCOc1ccccc1N 34a_100000185747_200011214921 [0,1,0,0,0,1|1,0,0]=3 5740 B14R1.159 NC(=O)OCCOc1ccccc1N 7a_100000185747_200011214921 [0,1,0,0,0,1|1,0,0]=3 5741 B14R1.159 NC(=O)OCCOc1cccnc1Br 34a_100000744436_200011214921 [0,1,0,0,0,1|2,0,0]=4 5742 B14R1.159 NC(=O)OCCOc1cccnc1Br 7a_100000744436_200011214921 [0,1,0,0,0,1|2,0,0]=4 5743 B14R1.159 NC(=O)OCCOc1cccnc1Cl 34a_100000757616_200011214921 [0,1,0,0,0,1|2,0,0]=4 5744 B14R1.159 NC(=O)OCCOc1cccnc1Cl 7a_100000757616_200011214921 [0,1,0,0,0,1|2,0,0]=4 5745 B14R1.159 NC(=O)OCCOc1cccnc1F 34a_100000061740_200011214921 [0,1,0,0,0,1|2,0,0]=4 5746 B14R1.159 NC(=O)OCCOc1cccnc1F 7a_100000061740_200011214921 [0,1,0,0,0,1|2,0,0]=4 5747 B14R1.159 NC(=O)OCCOc1cccnc1I 34a_100000034122_200011214921 [0,1,0,0,0,1|2,0,0]=4 5748 B14R1.159 NC(=O)OCCOc1cccnc1I 7a_100000034122_200011214921 [0,1,0,0,0,1|2,0,0]=4 5749 B14R1.159 NC(=O)OCCOc1cccnc1N 34a_100000211975_200011214921 [0,1,0,0,0,1|2,0,0]=4 5750 B14R1.159 NC(=O)OCCOc1cccnc1N 7a_100000211975_200011214921 [0,1,0,0,0,1|2,0,0]=4 5751 B14R1.159 NC(=O)OCCOc1cccoc1=O 34a_100000077404_200011214921 [0,1,0,0,0,1|2,0,0]=4 5752 B14R1.159 NC(=O)OCCOc1cccoc1=O 7a_100000077404_200011214921 [0,1,0,0,0,1|2,0,0]=4 5753 B14R1.159 NC(=O)OCCOc1ccncc1Br 34a_100011996408_200011214921 [0,1,0,0,0,1|2,0,0]=4 5754 B14R1.159 NC(=O)OCCOc1ccncc1Cl 34a_100011997054_200011214921 [0,1,0,0,0,1|2,0,0]=4 5755 B14R1.159 NC(=O)OCCOc1ccncc1F 34a_200000081243_200011214921 [0,1,0,0,0,1|2,0,0]=4 5756 B14R1.159 NC(=O)OCCOc1cnccc1Cl 34a_100011996695_200011214921 [0,1,0,0,0,1|2,0,0]=4 5757 B14R1.159 NC(=O)OCCOc1cnccc1I 34a_100000050107_200011214921 [0,1,0,0,0,1|2,0,0]=4 5758 B14R1.159 NC(=O)OCCOc1cnccc1N 34a_100000753702_200011214921 [0,1,0,0,0,1|2,0,0]=4 5759 B14R1.159 NC(=O)OCCOc1coccc1=O 34a_100000060831_200011214921 [0,1,0,0,0,1|2,0,0]=4 5760 B14R1.159 NC(=O)OCCOc1ncccc1Cl 34a_100011290957_200011214921 [0,1,0,0,0,1|2,0,0]=4 5761 B14R1.159 NC(=O)OCCOc1ncccc1F 34a_100011219419_200011214921 [0,1,0,0,0,1|2,0,0]=4 5762 B14R1.159 NC(=O)OCCOc1ncccc1N 34a_100000746358_200011214921 [0,1,0,0,0,1|2,0,0]=4 5763 B14R1.159 NC(=O)OCCSc1ccccc1Br 62a_100000695589_200011214921 [0,1,0,0,0,1|1,1,0]=4 5764 B14R1.159 NC(=O)OCCSc1ccccc1Br 62a_200011214921_100000695589 [0,1,0,0,0,1|1,1,0]=4 5765 B14R1.159 NC(=O)OCCSc1ccccc1Cl 62a_100000764095_200011214921 [0,1,0,0,0,1|1,1,0]=4 5766 B14R1.159 NC(=O)OCCSc1ccccc1Cl 62a_200011214921_100000764095 [0,1,0,0,0,1|1,1,0]=4 5767 B14R1.159 NC(=O)OCCSc1ccccc1F 62a_100011215700_200011214921 [0,1,0,0,0,1|1,1,0]=4 5768 B14R1.159 NC(=O)OCCSc1ccccc1F 62a_200011214921_100011215700 [0,1,0,0,0,1|1,1,0]=4 5769 B14R1.159 NC(=O)OCCSc1ccccc1N 62a_100000210017_200011214921 [0,1,0,0,0,1|1,1,0]=4 5770 B14R1.159 NC(=O)OCCSc1ccccc1N 62a_200011214921_100000210017 [0,1,0,0,0,1|1,1,0]=4 5771 B14R1.159 NC(=O)OCCSc1ccccc1O 62a_100000739446_200011214921 [0,1,0,0,0,1|1,1,0]=4 5772 B14R1.159 NC(=O)OCCSc1ccccc1O 62a_200011214921_100000739446 [0,1,0,0,0,1|1,1,0]=4 5773 B14R1.159 Nc1ccccc1CCOCC(=O)[O-] 34a_100011215289_100020667443 [0,1,0,0,0,1|1,0,1]=4 5774 B14R1.159 Nc1ccccc1OCCC=C(F)F 34a_100000185747_200009816681 [0,1,0,0,0,1|2,0,0]=4 5775 B14R1.159 Nc1ccccc1OCCC=C(F)F 7a_100000185747_200009816681 [0,1,0,0,0,1|2,0,0]=4 5776 B14R1.159 O=C(O)CNCCc1ccccc1Br 269956a_100016091260_100012161201 [0,1,0,0,0,1|1,0,0]=3 5777 B14R1.159 O=C(O)CNCCc1ccccc1Cl 269956a_100016091260_100011713703 [0,1,0,0,0,1|1,0,0]=3 5778 B14R1.159 O=C(O)CNCCc1ccccc1F 269956a_100016091260_100011713696 [0,1,0,0,0,1|1,0,0]=3 5779 B14R1.159 O=C(O)CNCCc1ccccc1O 269956a_100016091260_100000722297 [0,1,0,0,0,1|1,0,0]=3 5780 B14R1.159 O=C(O)CONCc1ccccc1Br 269956a_100000106656_100000184730 [0,1,0,0,0,1|2,0,0]=4 5781 B14R1.159 O=C(O)CONCc1ccccc1Cl 269956a_100000106656_100000187162 [0,1,0,0,0,1|2,0,0]=4 5782 B14R1.159 O=C(O)CONCc1ccccc1F 269956a_100000106656_100000187165 [0,1,0,0,0,1|2,0,0]=4 5783 B14R1.159 O=C(O)CONCc1ccccc1I 269956a_100000106656_100011216222 [0,1,0,0,0,1|2,0,0]=4 5784 B14R1.159 O=C([O-])CNCCc1ccccc1Br 34a_100000747383_100020667443 [0,1,0,0,0,1|1,0,1]=4 5785 B14R1.159 O=C([O-])CNCCc1ccccc1Cl 34a_100011207228_100020667443 [0,1,0,0,0,1|1,0,1]=4 5786 B14R1.159 O=C([O-])CNCCc1ccccc1F 34a_100000185272_100020667443 [0,1,0,0,0,1|1,0,1]=4 5787 B14R1.159 O=C([O-])CNCCc1ccccc1O 34a_100011207237_100020667443 [0,1,0,0,0,1|1,0,1]=4 5788 B14R1.159 O=C([O-])COCCc1ccccc1Br 34a_100000731337_100020667443 [0,1,0,0,0,1|1,0,1]=4 5789 B14R1.159 O=C([O-])COCCc1ccccc1Cl 34a_100011215284_100020667443 [0,1,0,0,0,1|1,0,1]=4 5790 B14R1.159 O=C([O-])COCCc1ccccc1F 34a_100000753711_100020667443 [0,1,0,0,0,1|1,0,1]=4 5791 B14R1.159 O=C([O-])COCCc1ccccc1I 34a_100010255290_100020667443 [0,1,0,0,0,1|1,0,1]=4 5792 B14R1.159 O=C([O-])CSCCc1ccccc1Br 62a_100012161201_100020667443 [0,1,0,0,0,1|1,0,1]=4 5793 B14R1.159 O=C([O-])CSCCc1ccccc1Br 62a_100020667443_100012161201 [0,1,0,0,0,1|1,0,1]=4 5794 B14R1.159 O=C([O-])CSCCc1ccccc1Cl 62a_100011713703_100020667443 [0,1,0,0,0,1|1,0,1]=4 5795 B14R1.159 O=C([O-])CSCCc1ccccc1Cl 62a_100020667443_100011713703 [0,1,0,0,0,1|1,0,1]=4 5796 B14R1.159 O=C([O-])CSCCc1ccccc1F 62a_100011713696_100020667443 [0,1,0,0,0,1|1,0,1]=4 5797 B14R1.159 O=C([O-])CSCCc1ccccc1F 62a_100020667443_100011713696 [0,1,0,0,0,1|1,0,1]=4 5798 B14R1.159 O=C([O-])CSCCc1ccccc1O 62a_100000722297_100020667443 [0,1,0,0,0,1|1,0,1]=4 5799 B14R1.159 O=C([O-])CSCCc1ccccc1O 62a_100020667443_100000722297 [0,1,0,0,0,1|1,0,1]=4 5800 B14R1.159 [13CH3]C(=O)CCCOc1ccccc1Cl 1458a_100000747900_200025704644 [0,1,0,0,0,1|1,0,0]=3 5801 B14R1.420 C=C(Br)CCOC(C)c1ccccc1 34a_100009813270_100000211855 [0,1,0,0,0,1|2,0,0]=4 5802 B14R1.420 C=C(C)CCOC(C)c1ccccc1 34a_100000764851_100000211855 [0,1,0,0,0,1|2,0,0]=4 5803 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000730704 [0,1,0,0,0,1|2,0,0]=4 5804 B14R1.420 C=C(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000730704 [0,1,0,0,0,1|2,0,0]=4 5805 B14R1.420 C=C(CCCC(=O)C)c1ccccc1 1458a_200009911520_200000210301 [0,1,0,0,0,1|2,0,0]=4 5806 B14R1.420 C=C(CCCC(=O)[13CH3])c1ccccc1 1458a_200009911520_200025704644 [0,1,0,0,0,1|2,0,0]=4 5807 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000070787_100000211006 [0,1,0,0,0,1|2,0,0]=4 5808 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215641 [0,1,0,0,0,1|2,0,0]=4 5809 B14R1.420 CC(=O)CCCN(C)c1ccccc1 269982a_100000210012_100011215641 [0,1,0,0,0,1|2,0,0]=4 5810 B14R1.420 CC(=O)CCCN(C)c1ccccc1 34a_100000210012_100000685027 [0,1,0,0,0,1|2,0,0]=4 5811 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000070787_200011215302 [0,1,0,0,0,1|2,0,0]=4 5812 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200000210301 [0,1,0,0,0,1|2,0,0]=4 5813 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 1458a_100000070787_100000184176 [0,1,0,0,0,1|1,0,0]=3 5814 B14R1.420 CC(=O)CCOC(C)c1ccccc1 34a_100000759926_100000211855 [0,1,0,0,0,1|1,0,0]=3 5815 B14R1.420 CC(=O)CCOC(C)c1ccccc1 7a_100000759926_100000230085 [0,1,0,0,0,1|1,0,0]=3 5816 B14R1.420 CC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000053229 [0,1,0,0,0,1|1,0,0]=3 5817 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000053229_100000230085 [0,1,0,0,0,1|1,1,0]=4 5818 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000053229 [0,1,0,0,0,1|1,1,0]=4 5819 B14R1.420 CC(=O)COCC(C)c1ccccc1 34a_100000211253_100000756946 [0,1,0,0,0,1|2,0,0]=4 5820 B14R1.420 CC(=O)COCC(O)c1ccccc1 34a_100000211253_100000185958 [0,1,0,0,0,1|2,0,0]=4 5821 B14R1.420 CC(=O)COC[C@@H](O)c1ccccc1 34a_100000211253_100011933945 [0,1,0,0,0,1|2,0,0]=4 5822 B14R1.420 CC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_100000189650 [0,1,0,0,0,1|2,0,0]=4 5823 B14R1.420 CC(=O)NCCC(O)c1ccccc1 240690a_100000763605_100015343762 [0,1,0,0,0,1|2,0,0]=4 5824 B14R1.420 CC(=O)NCCC(O)c1ccccc1 527a_100000763605_100103153847 [0,1,0,0,0,1|2,0,0]=4 5825 B14R1.420 CC(=O)NCCN(C)c1ccccc1 2230a_100000210012_100000189650 [0,1,0,0,0,1|2,0,0]=4 5826 B14R1.420 CC(=O)NCCN(C)c1ccccc1 240690a_100000231046_100015343762 [0,1,0,0,0,1|2,0,0]=4 5827 B14R1.420 CC(=O)NCCN(C)c1ccccc1 269982a_100000210012_100000189650 [0,1,0,0,0,1|2,0,0]=4 5828 B14R1.420 CC(=O)NCCN(C)c1ccccc1 527a_100000231046_100103153847 [0,1,0,0,0,1|2,0,0]=4 5829 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [0,1,0,0,0,1|2,0,0]=4 5830 B14R1.420 CC(=O)OCCN(C)c1ccccc1 269982a_100000210012_100009814007 [0,1,0,0,0,1|2,0,0]=4 5831 B14R1.420 CC(=O)OCCN(C)c1ccccc1 34a_100000210012_100009814007 [0,1,0,0,0,1|2,0,0]=4 5832 B14R1.420 CC(=O)OCO[C@H](C)c1ccccc1 34a_100000761318_100009813279 [0,1,0,0,0,1|2,0,0]=4 5833 B14R1.420 CC(CNCC(=O)N)c1ccccc1 2230a_100000701038_100000747473 [0,1,0,0,0,1|2,0,0]=4 5834 B14R1.420 CC(CNCC(=O)N)c1ccccc1 2230a_100000711301_100000756946 [0,1,0,0,0,1|2,0,0]=4 5835 B14R1.420 CC(CNCC(=O)N)c1ccccc1 34a_100000701038_100000187820 [0,1,0,0,0,1|2,0,0]=4 5836 B14R1.420 CC(CNCC(=O)O)c1ccccc1 269956a_100016091260_100000756946 [0,1,0,0,0,1|1,0,0]=3 5837 B14R1.420 CC(CNCC(=O)[O-])c1ccccc1 34a_100000701038_100020667443 [0,1,0,0,0,1|1,0,1]=4 5838 B14R1.420 CC(COCC(=O)N)c1ccccc1 34a_100011215166_100000187820 [0,1,0,0,0,1|2,0,0]=4 5839 B14R1.420 CC(COCC(=O)N)c1ccccc1 7a_100011215166_100000187820 [0,1,0,0,0,1|2,0,0]=4 5840 B14R1.420 CC(COCC(=O)[O-])c1ccccc1 34a_100011215166_100020667443 [0,1,0,0,0,1|1,0,1]=4 5841 B14R1.420 CC(CSCC(=O)N)c1ccccc1 62a_100000747473_100000756946 [0,1,0,0,0,1|2,0,0]=4 5842 B14R1.420 CC(CSCC(=O)N)c1ccccc1 62a_100000756946_100000747473 [0,1,0,0,0,1|2,0,0]=4 5843 B14R1.420 CC(CSCC(=O)[O-])c1ccccc1 62a_100000756946_100020667443 [0,1,0,0,0,1|1,0,1]=4 5844 B14R1.420 CC(CSCC(=O)[O-])c1ccccc1 62a_100020667443_100000756946 [0,1,0,0,0,1|1,0,1]=4 5845 B14R1.420 CC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000185851 [0,1,0,0,0,1|2,0,0]=4 5846 B14R1.420 CC(NOCC(=O)O)c1ccccc1 269956a_100000106656_100000211855 [0,1,0,0,0,1|2,0,0]=4 5847 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012276601 [0,1,0,0,0,1|1,0,1]=4 5848 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 7a_100000761318_100012276601 [0,1,0,0,0,1|1,0,1]=4 5849 B14R1.420 CC(OCCC(=O)N)c1ccccc1 34a_100000757172_100000211855 [0,1,0,0,0,1|1,0,0]=3 5850 B14R1.420 CC(OCCC(=O)N)c1ccccc1 7a_100000757172_100000230085 [0,1,0,0,0,1|1,0,0]=3 5851 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000230085_100000744528 [0,1,0,0,0,1|1,1,0]=4 5852 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000744528_100000230085 [0,1,0,0,0,1|1,1,0]=4 5853 B14R1.420 CN(CCCC(=O)N)c1ccccc1 269982a_100000210012_100102525003 [0,1,0,0,0,1|2,0,0]=4 5854 B14R1.420 CN(CCCC(=O)N)c1ccccc1 34a_100000210012_100102525003 [0,1,0,0,0,1|2,0,0]=4 5855 B14R1.420 CN(CCNC(=O)N)c1ccccc1 2230a_100000210012_200000034859 [0,1,0,0,0,1|2,0,0]=4 5856 B14R1.420 CN(CCNC(=O)N)c1ccccc1 269982a_100000210012_200000034859 [0,1,0,0,0,1|2,0,0]=4 5857 B14R1.420 CN(CCOC(=O)N)c1ccccc1 269982a_100000210012_200011214921 [0,1,0,0,0,1|2,0,0]=4 5858 B14R1.420 CN(CCOC(=O)N)c1ccccc1 34a_100000210012_200011214921 [0,1,0,0,0,1|2,0,0]=4 5859 B14R1.420 C[C@@H](NCCC(=O)N)c1ccccc1 2230a_100000751104_100000744528 [0,1,0,0,0,1|2,0,0]=4 5860 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 34a_100000761318_100000731001 [0,1,0,0,0,1|1,0,0]=3 5861 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 7a_100000761318_100000744528 [0,1,0,0,0,1|1,0,0]=3 5862 B14R1.420 NC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100102525003 [0,1,0,0,0,1|2,0,0]=4 5863 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 11a_100000740010_100000185807 [0,1,0,0,0,1|2,0,0]=4 5864 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 240690a_100000740010_100000185807 [0,1,0,0,0,1|2,0,0]=4 5865 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 527a_100000740010_100000185807 [0,1,0,0,0,1|2,0,0]=4 5866 B14R1.420 NC(=O)CNCC(O)c1ccccc1 2230a_100000210709_100000747473 [0,1,0,0,0,1|2,0,0]=4 5867 B14R1.420 NC(=O)CNCC(O)c1ccccc1 2230a_100000711301_100000185958 [0,1,0,0,0,1|2,0,0]=4 5868 B14R1.420 NC(=O)CNC[C@@H](O)c1ccccc1 2230a_100000711301_100011933945 [0,1,0,0,0,1|2,0,0]=4 5869 B14R1.420 NC(=O)COC[C@@H](N)c1ccccc1 34a_100000751927_100000187820 [0,1,0,0,0,1|2,0,0]=4 5870 B14R1.420 NC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000747473 [0,1,0,0,0,1|2,0,0]=4 5871 B14R1.420 NC(=O)CSCC(=O)c1ccccc1 62a_100000747473_100000211460 [0,1,0,0,0,1|2,0,0]=4 5872 B14R1.420 NC(=O)CSCC(O)c1ccccc1 62a_100000185958_100000747473 [0,1,0,0,0,1|2,0,0]=4 5873 B14R1.420 NC(=O)CSCC(O)c1ccccc1 62a_100000747473_100000185958 [0,1,0,0,0,1|2,0,0]=4 5874 B14R1.420 NC(=O)CSCS(=O)c1ccccc1 62a_100000747473_100000031784 [0,1,0,0,0,1|1,1,0]=4 5875 B14R1.420 NC(=O)CSC[C@@H](O)c1ccccc1 62a_100000747473_100011933945 [0,1,0,0,0,1|2,0,0]=4 5876 B14R1.420 NC(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000747473 [0,1,0,0,0,1|2,0,0]=4 5877 B14R1.420 NC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_200000034859 [0,1,0,0,0,1|2,0,0]=4 5878 B14R1.420 NC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_200011214921 [0,1,0,0,0,1|2,0,0]=4 5879 B14R1.420 N[C@H](COCC(=O)[O-])c1ccccc1 34a_100000751927_100020667443 [0,1,0,0,0,1|1,0,1]=4 5880 B14R1.420 O=C(O)CNCC(=O)c1ccccc1 269956a_100016091260_100000211460 [0,1,0,0,0,1|1,0,0]=3 5881 B14R1.420 O=C(O)CNCC(=O)c1ccccn1 269956a_100016091260_100000027445 [0,1,0,0,0,1|2,0,0]=4 5882 B14R1.420 O=C(O)CNCC(=O)c1cccnc1 269956a_100016091260_100000757877 [0,1,0,0,0,1|2,0,0]=4 5883 B14R1.420 O=C(O)CNCC(=O)c1ccncc1 269956a_100016091260_100000027454 [0,1,0,0,0,1|2,0,0]=4 5884 B14R1.420 O=C(O)CNCC(O)c1ccccc1 269956a_100016091260_100000185958 [0,1,0,0,0,1|1,0,0]=3 5885 B14R1.420 O=C(O)CNCS(=O)c1ccccc1 269956a_100016091260_100000031784 [0,1,0,0,0,1|0,1,0]=3 5886 B14R1.420 O=C(O)CNC[C@@H](O)c1ccccc1 269956a_100016091260_100011933945 [0,1,0,0,0,1|1,0,0]=3 5887 B14R1.420 O=C([O-])CSCC(=O)c1ccccc1 62a_100000211460_100020667443 [0,1,0,0,0,1|1,0,1]=4 5888 B14R1.420 O=C([O-])CSCC(=O)c1ccccc1 62a_100020667443_100000211460 [0,1,0,0,0,1|1,0,1]=4 5889 B14R1.420 O=C([O-])CSCC(O)c1ccccc1 62a_100000185958_100020667443 [0,1,0,0,0,1|1,0,1]=4 5890 B14R1.420 O=C([O-])CSCC(O)c1ccccc1 62a_100020667443_100000185958 [0,1,0,0,0,1|1,0,1]=4 5891 B14R1.420 O=C([O-])CSCS(=O)c1ccccc1 62a_100020667443_100000031784 [0,1,0,0,0,1|0,1,1]=4 5892 B14R1.420 O=C([O-])CSC[C@@H](O)c1ccccc1 62a_100011933945_100020667443 [0,1,0,0,0,1|1,0,1]=4 5893 B14R1.420 O=C([O-])CSC[C@@H](O)c1ccccc1 62a_100020667443_100011933945 [0,1,0,0,0,1|1,0,1]=4 5894 B14R1.420 [13CH3]C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200025704644 [0,1,0,0,0,1|2,0,0]=4 5895 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000070787_100000242058 [0,1,0,0,0,1|2,0,0]=4 5896 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200000210301 [0,1,0,0,0,1|2,0,0]=4 5897 B14R1.423 CC(=O)CCC(=O)Oc1ccccc1 1458a_100000070787_200000035796 [0,1,0,0,0,1|1,0,0]=3 5898 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000070787_100015196923 [0,1,0,0,0,1|2,0,0]=4 5899 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000177486_200000210301 [0,1,0,0,0,1|2,0,0]=4 5900 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100000053229 [0,1,0,0,0,1|2,0,0]=4 5901 B14R1.423 CC(=O)COC(C)Cc1ccccc1 34a_100000211253_200011218536 [0,1,0,0,0,1|2,0,0]=4 5902 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 11a_100000755676_100015343762 [0,1,0,0,0,1|1,0,0]=3 5903 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 1626a_100000755676_100015343762 [0,1,0,0,0,1|1,0,0]=3 5904 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 240690a_100000755676_100015343762 [0,1,0,0,0,1|1,0,0]=3 5905 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 527a_100000755676_100103153847 [0,1,0,0,0,1|1,0,0]=3 5906 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 11a_200011219418_100015343762 [0,1,0,0,0,1|2,0,0]=4 5907 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 1626a_200011219418_100015343762 [0,1,0,0,0,1|2,0,0]=4 5908 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 240690a_200011219418_100015343762 [0,1,0,0,0,1|2,0,0]=4 5909 B14R1.423 CC(=O)NCC(C)Oc1cccnc1 527a_200011219418_100103153847 [0,1,0,0,0,1|2,0,0]=4 5910 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100015343762 [0,1,0,0,0,1|2,0,0]=4 5911 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100103153847 [0,1,0,0,0,1|2,0,0]=4 5912 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [0,1,0,0,0,1|1,0,0]=3 5913 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 34a_100000748627_100000187820 [0,1,0,0,0,1|2,0,0]=4 5914 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 7a_100000748627_100000187820 [0,1,0,0,0,1|2,0,0]=4 5915 B14R1.423 CC(Cc1ccccc1)OCC(=O)[O-] 34a_100000748627_100020667443 [0,1,0,0,0,1|1,0,1]=4 5916 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_100000747473_200011218536 [0,1,0,0,0,1|2,0,0]=4 5917 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_200011218536_100000747473 [0,1,0,0,0,1|2,0,0]=4 5918 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_100020667443_200011218536 [0,1,0,0,0,1|1,0,1]=4 5919 B14R1.423 CC(Cc1ccccc1)SCC(=O)[O-] 62a_200011218536_100020667443 [0,1,0,0,0,1|1,0,1]=4 5920 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200000210301 [0,1,0,0,0,1|2,0,0]=4 5921 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000186898_100000744528 [0,1,0,0,0,1|2,0,0]=4 5922 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000730477_100015291786 [0,1,0,0,0,1|2,0,0]=4 5923 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200000210301 [0,1,0,0,0,1|2,0,0]=4 5924 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000186898_100000744528 [0,1,0,0,0,1|2,0,0]=4 5925 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 270004a_100000730477_100015611070 [0,1,0,0,0,1|2,0,0]=4 5926 B14R1.423 CN(CCC(=O)[13CH3])Cc1ccccc1 1458a_100000177486_200025704644 [0,1,0,0,0,1|2,0,0]=4 5927 B14R1.423 NC(=O)CCC(=O)Cc1ccccc1 1458a_100011215257_100015291786 [0,1,0,0,0,1|2,0,0]=4 5928 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011215257 [0,1,0,0,0,1|2,0,0]=4 5929 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011215257 [0,1,0,0,0,1|2,0,0]=4 5930 B14R1.423 [13CH3]C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200025704644 [0,1,0,0,0,1|2,0,0]=4 5931 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200025704644 [0,1,0,0,0,1|2,0,0]=4 5932 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200025704644 [0,1,0,0,0,1|2,0,0]=4 5933 B14R1.677 C=C(Br)CCOCc1ccc(cc1)Br 34a_100009813270_100000189115 [0,1,0,0,0,1|2,0,0]=4 5934 B14R1.677 C=C(Br)CCOCc1ccc(cc1)C 34a_100009813270_100000210814 [0,1,0,0,0,1|2,0,0]=4 5935 B14R1.677 C=C(Br)CCOCc1ccc(cc1)Cl 34a_100009813270_100000694040 [0,1,0,0,0,1|2,0,0]=4 5936 B14R1.677 C=C(Br)CCOCc1ccc(cc1)F 34a_100009813270_100000198546 [0,1,0,0,0,1|2,0,0]=4 5937 B14R1.677 C=C(Br)CCOCc1ccc(cc1)I 34a_100009813270_100000189116 [0,1,0,0,0,1|2,0,0]=4 5938 B14R1.677 C=C(C)CCOCc1ccc(cc1)Br 34a_100000695286_100000730704 [0,1,0,0,0,1|2,0,0]=4 5939 B14R1.677 C=C(C)CCOCc1ccc(cc1)Br 34a_100000764851_100000189115 [0,1,0,0,0,1|2,0,0]=4 5940 B14R1.677 C=C(C)CCOCc1ccc(cc1)C 34a_100000764851_100000210814 [0,1,0,0,0,1|2,0,0]=4 5941 B14R1.677 C=C(C)CCOCc1ccc(cc1)C 34a_100011215236_100000730704 [0,1,0,0,0,1|2,0,0]=4 5942 B14R1.677 C=C(C)CCOCc1ccc(cc1)C 7a_100011215236_100000730704 [0,1,0,0,0,1|2,0,0]=4 5943 B14R1.677 C=C(C)CCOCc1ccc(cc1)Cl 34a_100000211118_100000730704 [0,1,0,0,0,1|2,0,0]=4 5944 B14R1.677 C=C(C)CCOCc1ccc(cc1)Cl 34a_100000764851_100000694040 [0,1,0,0,0,1|2,0,0]=4 5945 B14R1.677 C=C(C)CCOCc1ccc(cc1)Cl 7a_100000211118_100000730704 [0,1,0,0,0,1|2,0,0]=4 5946 B14R1.677 C=C(C)CCOCc1ccc(cc1)F 34a_100000210977_100000730704 [0,1,0,0,0,1|2,0,0]=4 5947 B14R1.677 C=C(C)CCOCc1ccc(cc1)F 34a_100000764851_100000198546 [0,1,0,0,0,1|2,0,0]=4 5948 B14R1.677 C=C(C)CCOCc1ccc(cc1)F 7a_100000210977_100000730704 [0,1,0,0,0,1|2,0,0]=4 5949 B14R1.677 C=C(C)CCOCc1ccc(cc1)I 34a_100000690907_100000730704 [0,1,0,0,0,1|2,0,0]=4 5950 B14R1.677 C=C(C)CCOCc1ccc(cc1)I 34a_100000764851_100000189116 [0,1,0,0,0,1|2,0,0]=4 5951 B14R1.677 C=C(C)CCOCc1ccc(cc1)I 7a_100000690907_100000730704 [0,1,0,0,0,1|2,0,0]=4 5952 B14R1.677 C=C(C)CCOCc1ccc(cc1)N 34a_100011215238_100000730704 [0,1,0,0,0,1|2,0,0]=4 5953 B14R1.677 CC(=CCCOc1ccc(cc1)Br)C 34a_100000185759_100011217483 [0,1,0,0,0,1|2,0,0]=4 5954 B14R1.677 CC(=CCCOc1ccc(cc1)Br)C 7a_100000185759_100011217483 [0,1,0,0,0,1|2,0,0]=4 5955 B14R1.677 CC(=CCCOc1ccc(cc1)C)C 34a_100000210336_100011217483 [0,1,0,0,0,1|2,0,0]=4 5956 B14R1.677 CC(=CCCOc1ccc(cc1)C)C 7a_100000210336_100011217483 [0,1,0,0,0,1|2,0,0]=4 5957 B14R1.677 CC(=CCCOc1ccc(cc1)Cl)C 34a_100000210216_100011217483 [0,1,0,0,0,1|2,0,0]=4 5958 B14R1.677 CC(=CCCOc1ccc(cc1)Cl)C 7a_100000210216_100011217483 [0,1,0,0,0,1|2,0,0]=4 5959 B14R1.677 CC(=CCCOc1ccc(cc1)F)C 34a_100000210339_100011217483 [0,1,0,0,0,1|2,0,0]=4 5960 B14R1.677 CC(=CCCOc1ccc(cc1)I)C 34a_100000212066_100011217483 [0,1,0,0,0,1|2,0,0]=4 5961 B14R1.677 CC(=CCCOc1ccc(cc1)I)C 7a_100000212066_100011217483 [0,1,0,0,0,1|2,0,0]=4 5962 B14R1.677 CC(=CCCOc1ccc(cc1)N)C 34a_100000185829_100011217483 [0,1,0,0,0,1|2,0,0]=4 5963 B14R1.677 CC(=O)CCCCc1ccc(cc1)Br 1458a_100000070787_200012094861 [0,1,0,0,0,1|2,0,0]=4 5964 B14R1.677 CC(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_200000210301 [0,1,0,0,0,1|2,0,0]=4 5965 B14R1.677 CC(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_200000210301 [0,1,0,0,0,1|2,0,0]=4 5966 B14R1.677 CC(=O)CCCCc1ccc(cc1)F 1458a_100000070787_100012093538 [0,1,0,0,0,1|2,0,0]=4 5967 B14R1.677 CC(=O)CCCCc1ccc(cc1)F 1458a_100000703604_200000210301 [0,1,0,0,0,1|2,0,0]=4 5968 B14R1.677 CC(=O)CCCCc1ccc(cc1)I 1458a_100000749853_200000210301 [0,1,0,0,0,1|2,0,0]=4 5969 B14R1.677 CC(=O)CCCCc1ccc(cc1)O 1458a_100000047048_200000210301 [0,1,0,0,0,1|2,0,0]=4 5970 B14R1.677 CC(=O)CCCNc1ccc(cc1)Br 34a_100000210018_100000685027 [0,1,0,0,0,1|2,0,0]=4 5971 B14R1.677 CC(=O)CCCNc1ccc(cc1)C 34a_100000124888_100000685027 [0,1,0,0,0,1|2,0,0]=4 5972 B14R1.677 CC(=O)CCCNc1ccc(cc1)Cl 34a_100000210052_100000685027 [0,1,0,0,0,1|2,0,0]=4 5973 B14R1.677 CC(=O)CCCNc1ccc(cc1)F 34a_100000185862_100000685027 [0,1,0,0,0,1|2,0,0]=4 5974 B14R1.677 CC(=O)CCCNc1ccc(cc1)I 34a_100000185761_100000685027 [0,1,0,0,0,1|2,0,0]=4 5975 B14R1.677 CC(=O)CCCNc1ccc(cc1)O 34a_100000185829_100000685027 [0,1,0,0,0,1|2,0,0]=4 5976 B14R1.677 CC(=O)CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000685027 [0,1,0,0,0,1|2,0,0]=4 5977 B14R1.677 CC(=O)CCCOc1ccc(cc1)Br 1458a_100000070787_100011259224 [0,1,0,0,0,1|1,0,0]=3 5978 B14R1.677 CC(=O)CCCOc1ccc(cc1)Br 1458a_100000183208_200000210301 [0,1,0,0,0,1|1,0,0]=3 5979 B14R1.677 CC(=O)CCCOc1ccc(cc1)Br 34a_100000185759_100000685027 [0,1,0,0,0,1|1,0,0]=3 5980 B14R1.677 CC(=O)CCCOc1ccc(cc1)Br 7a_100000185759_100011215641 [0,1,0,0,0,1|1,0,0]=3 5981 B14R1.677 CC(=O)CCCOc1ccc(cc1)C 1458a_100000182836_200000210301 [0,1,0,0,0,1|1,0,0]=3 5982 B14R1.677 CC(=O)CCCOc1ccc(cc1)C 34a_100000210336_100000685027 [0,1,0,0,0,1|1,0,0]=3 5983 B14R1.677 CC(=O)CCCOc1ccc(cc1)C 7a_100000210336_100011215641 [0,1,0,0,0,1|1,0,0]=3 5984 B14R1.677 CC(=O)CCCOc1ccc(cc1)Cl 1458a_100000741531_200000210301 [0,1,0,0,0,1|1,0,0]=3 5985 B14R1.677 CC(=O)CCCOc1ccc(cc1)Cl 34a_100000210216_100000685027 [0,1,0,0,0,1|1,0,0]=3 5986 B14R1.677 CC(=O)CCCOc1ccc(cc1)Cl 7a_100000210216_100011215641 [0,1,0,0,0,1|1,0,0]=3 5987 B14R1.677 CC(=O)CCCOc1ccc(cc1)F 1458a_100000070787_100000181347 [0,1,0,0,0,1|1,0,0]=3 5988 B14R1.677 CC(=O)CCCOc1ccc(cc1)F 1458a_100000735736_200000210301 [0,1,0,0,0,1|1,0,0]=3 5989 B14R1.677 CC(=O)CCCOc1ccc(cc1)F 34a_100000210339_100000685027 [0,1,0,0,0,1|1,0,0]=3 5990 B14R1.677 CC(=O)CCCOc1ccc(cc1)I 1458a_100000744034_200000210301 [0,1,0,0,0,1|1,0,0]=3 5991 B14R1.677 CC(=O)CCCOc1ccc(cc1)I 34a_100000212066_100000685027 [0,1,0,0,0,1|1,0,0]=3 5992 B14R1.677 CC(=O)CCCOc1ccc(cc1)I 7a_100000212066_100011215641 [0,1,0,0,0,1|1,0,0]=3 5993 B14R1.677 CC(=O)CCCOc1ccc(cc1)N 34a_100000185829_100000685027 [0,1,0,0,0,1|1,0,0]=3 5994 B14R1.677 CC(=O)CCCOc1ccc(cn1)C 34a_100000759353_100000685027 [0,1,0,0,0,1|2,0,0]=4 5995 B14R1.677 CC(=O)CCCOc1ccc(cn1)Cl 34a_100011215309_100000685027 [0,1,0,0,0,1|2,0,0]=4 5996 B14R1.677 CC(=O)CCCOc1ccc(cn1)F 34a_100000742473_100000685027 [0,1,0,0,0,1|2,0,0]=4 5997 B14R1.677 CC(=O)CCCOc1ccc(cn1)N 34a_100000729260_100000685027 [0,1,0,0,0,1|2,0,0]=4 5998 B14R1.677 CC(=O)CCCOc1ccc(nc1)Br 34a_100000685995_100000685027 [0,1,0,0,0,1|2,0,0]=4 5999 B14R1.677 CC(=O)CCCOc1ccc(nc1)Br 7a_100000685995_100011215641 [0,1,0,0,0,1|2,0,0]=4 6000 B14R1.677 CC(=O)CCCOc1ccc(nc1)C 34a_100000745506_100000685027 [0,1,0,0,0,1|2,0,0]=4 6001 B14R1.677 CC(=O)CCCOc1ccc(nc1)C 7a_100000745506_100011215641 [0,1,0,0,0,1|2,0,0]=4 6002 B14R1.677 CC(=O)CCCOc1ccc(nc1)Cl 34a_100000744096_100000685027 [0,1,0,0,0,1|2,0,0]=4 6003 B14R1.677 CC(=O)CCCOc1ccc(nc1)Cl 7a_100000744096_100011215641 [0,1,0,0,0,1|2,0,0]=4 6004 B14R1.677 CC(=O)CCCOc1ccc(nc1)F 34a_100000688820_100000685027 [0,1,0,0,0,1|2,0,0]=4 6005 B14R1.677 CC(=O)CCCOc1ccc(nc1)F 7a_100000688820_100011215641 [0,1,0,0,0,1|2,0,0]=4 6006 B14R1.677 CC(=O)CCCOc1ccc(nc1)I 34a_100000687607_100000685027 [0,1,0,0,0,1|2,0,0]=4 6007 B14R1.677 CC(=O)CCCOc1ccc(nc1)I 7a_100000687607_100011215641 [0,1,0,0,0,1|2,0,0]=4 6008 B14R1.677 CC(=O)CCCOc1ccc(nc1)N 34a_100015188713_100000685027 [0,1,0,0,0,1|2,0,0]=4 6009 B14R1.677 CC(=O)CCCOc1ccc(nc1)N 7a_100015188713_100011215641 [0,1,0,0,0,1|2,0,0]=4 6010 B14R1.677 CC(=O)CCCSc1ccc(cc1)Br 1458a_100000753536_200000210301 [0,1,0,0,0,1|1,1,0]=4 6011 B14R1.677 CC(=O)CCCSc1ccc(cc1)Br 62a_100000752885_100011215641 [0,1,0,0,0,1|1,1,0]=4 6012 B14R1.677 CC(=O)CCCSc1ccc(cc1)Br 62a_100011215641_100000752885 [0,1,0,0,0,1|1,1,0]=4 6013 B14R1.677 CC(=O)CCCSc1ccc(cc1)C 62a_100000186775_100011215641 [0,1,0,0,0,1|1,1,0]=4 6014 B14R1.677 CC(=O)CCCSc1ccc(cc1)C 62a_100011215641_100000186775 [0,1,0,0,0,1|1,1,0]=4 6015 B14R1.677 CC(=O)CCCSc1ccc(cc1)Cl 1458a_100000182790_200000210301 [0,1,0,0,0,1|1,1,0]=4 6016 B14R1.677 CC(=O)CCCSc1ccc(cc1)Cl 62a_100000755918_100011215641 [0,1,0,0,0,1|1,1,0]=4 6017 B14R1.677 CC(=O)CCCSc1ccc(cc1)Cl 62a_100011215641_100000755918 [0,1,0,0,0,1|1,1,0]=4 6018 B14R1.677 CC(=O)CCCSc1ccc(cc1)F 62a_100000211213_100011215641 [0,1,0,0,0,1|1,1,0]=4 6019 B14R1.677 CC(=O)CCCSc1ccc(cc1)F 62a_100011215641_100000211213 [0,1,0,0,0,1|1,1,0]=4 6020 B14R1.677 CC(=O)CCCSc1ccc(cc1)N 62a_100000185761_100011215641 [0,1,0,0,0,1|1,1,0]=4 6021 B14R1.677 CC(=O)CCCSc1ccc(cc1)N 62a_100011215641_100000185761 [0,1,0,0,0,1|1,1,0]=4 6022 B14R1.677 CC(=O)CCCSc1ccc(cc1)O 62a_100011215641_100000185759 [0,1,0,0,0,1|1,1,0]=4 6023 B14R1.677 CC(=O)CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000053229 [0,1,0,0,0,1|2,0,0]=4 6024 B14R1.677 CC(=O)CCOCc1ccc(cc1)Br 34a_100000759926_100000189115 [0,1,0,0,0,1|1,0,0]=3 6025 B14R1.677 CC(=O)CCOCc1ccc(cc1)Br 7a_100000759926_100011217064 [0,1,0,0,0,1|1,0,0]=3 6026 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 34a_100000759926_100000210814 [0,1,0,0,0,1|1,0,0]=3 6027 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 7a_100000759926_100000210814 [0,1,0,0,0,1|1,0,0]=3 6028 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 7a_100011215236_100000053229 [0,1,0,0,0,1|1,0,0]=3 6029 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 34a_100000759926_100000694040 [0,1,0,0,0,1|1,0,0]=3 6030 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 7a_100000211118_100000053229 [0,1,0,0,0,1|1,0,0]=3 6031 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 7a_100000759926_100000187161 [0,1,0,0,0,1|1,0,0]=3 6032 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 34a_100000759926_100000198546 [0,1,0,0,0,1|1,0,0]=3 6033 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 7a_100000210977_100000053229 [0,1,0,0,0,1|1,0,0]=3 6034 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 7a_100000759926_100000198546 [0,1,0,0,0,1|1,0,0]=3 6035 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 34a_100000759926_100000189116 [0,1,0,0,0,1|1,0,0]=3 6036 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 7a_100000690907_100000053229 [0,1,0,0,0,1|1,0,0]=3 6037 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 7a_100000759926_100000189116 [0,1,0,0,0,1|1,0,0]=3 6038 B14R1.677 CC(=O)CCOCc1ccc(cn1)Br 34a_100000759926_100000702658 [0,1,0,0,0,1|2,0,0]=4 6039 B14R1.677 CC(=O)CCOCc1ccc(cn1)Br 7a_100000759926_100000702658 [0,1,0,0,0,1|2,0,0]=4 6040 B14R1.677 CC(=O)CCOCc1ccc(cn1)C 34a_100000759926_100000691093 [0,1,0,0,0,1|2,0,0]=4 6041 B14R1.677 CC(=O)CCOCc1ccc(cn1)C 7a_100000759926_100000691093 [0,1,0,0,0,1|2,0,0]=4 6042 B14R1.677 CC(=O)CCOCc1ccc(cn1)Cl 34a_100000759926_100012066911 [0,1,0,0,0,1|2,0,0]=4 6043 B14R1.677 CC(=O)CCOCc1ccc(cn1)Cl 7a_100000759926_100012066911 [0,1,0,0,0,1|2,0,0]=4 6044 B14R1.677 CC(=O)CCOCc1ccc(cn1)F 34a_100000759926_100000703193 [0,1,0,0,0,1|2,0,0]=4 6045 B14R1.677 CC(=O)CCOCc1ccc(cn1)F 7a_100000759926_100000703193 [0,1,0,0,0,1|2,0,0]=4 6046 B14R1.677 CC(=O)CCOCc1ccc(nc1)Br 34a_100000759926_100009831999 [0,1,0,0,0,1|2,0,0]=4 6047 B14R1.677 CC(=O)CCOCc1ccc(nc1)Br 7a_100000759926_100009831999 [0,1,0,0,0,1|2,0,0]=4 6048 B14R1.677 CC(=O)CCOCc1ccc(nc1)Br 7a_100009816760_100000053229 [0,1,0,0,0,1|2,0,0]=4 6049 B14R1.677 CC(=O)CCOCc1ccc(nc1)C 34a_100000759926_100016987292 [0,1,0,0,0,1|2,0,0]=4 6050 B14R1.677 CC(=O)CCOCc1ccc(nc1)C 7a_100000759926_100016987292 [0,1,0,0,0,1|2,0,0]=4 6051 B14R1.677 CC(=O)CCOCc1ccc(nc1)Cl 34a_100000759926_100000735431 [0,1,0,0,0,1|2,0,0]=4 6052 B14R1.677 CC(=O)CCOCc1ccc(nc1)Cl 7a_100000755211_100000053229 [0,1,0,0,0,1|2,0,0]=4 6053 B14R1.677 CC(=O)CCOCc1ccc(nc1)Cl 7a_100000759926_100000735431 [0,1,0,0,0,1|2,0,0]=4 6054 B14R1.677 CC(=O)CCOCc1ccc(nc1)F 34a_100000759926_100000099788 [0,1,0,0,0,1|2,0,0]=4 6055 B14R1.677 CC(=O)CCOCc1ccc(nc1)F 7a_100000759926_100009820150 [0,1,0,0,0,1|2,0,0]=4 6056 B14R1.677 CC(=O)CCSCc1ccc(cc1)Br 62a_100000053229_100000189115 [0,1,0,0,0,1|1,1,0]=4 6057 B14R1.677 CC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000053229 [0,1,0,0,0,1|1,1,0]=4 6058 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 1458a_200000173737_200000210301 [0,1,0,0,0,1|1,1,0]=4 6059 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 62a_100000053229_100000210814 [0,1,0,0,0,1|1,1,0]=4 6060 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 62a_100000210814_100000053229 [0,1,0,0,0,1|1,1,0]=4 6061 B14R1.677 CC(=O)CCSCc1ccc(cc1)Cl 62a_100000053229_100000187161 [0,1,0,0,0,1|1,1,0]=4 6062 B14R1.677 CC(=O)CCSCc1ccc(cc1)Cl 62a_100000187161_100000053229 [0,1,0,0,0,1|1,1,0]=4 6063 B14R1.677 CC(=O)CCSCc1ccc(cc1)F 62a_100000053229_100000187164 [0,1,0,0,0,1|1,1,0]=4 6064 B14R1.677 CC(=O)CCSCc1ccc(cc1)F 62a_100000198546_100000053229 [0,1,0,0,0,1|1,1,0]=4 6065 B14R1.677 CC(=O)CCSCc1ccc(cc1)I 62a_100000053229_100000189116 [0,1,0,0,0,1|1,1,0]=4 6066 B14R1.677 CC(=O)CCSCc1ccc(cc1)I 62a_100000189116_100000053229 [0,1,0,0,0,1|1,1,0]=4 6067 B14R1.677 CC(=O)COCCc1ccc(cc1)Br 34a_100000211253_100011740612 [0,1,0,0,0,1|2,0,0]=4 6068 B14R1.677 CC(=O)COCCc1ccc(cc1)C 34a_100000211253_100011713686 [0,1,0,0,0,1|2,0,0]=4 6069 B14R1.677 CC(=O)COCCc1ccc(cc1)Cl 34a_100000211253_100011713675 [0,1,0,0,0,1|2,0,0]=4 6070 B14R1.677 CC(=O)COCCc1ccc(cc1)F 34a_100000211253_100011217392 [0,1,0,0,0,1|2,0,0]=4 6071 B14R1.677 CC(=O)NCCCc1ccc(cc1)Br 11a_100011297623_100015343762 [0,1,0,0,0,1|2,0,0]=4 6072 B14R1.677 CC(=O)NCCCc1ccc(cc1)Br 1626a_100011297623_100015343762 [0,1,0,0,0,1|2,0,0]=4 6073 B14R1.677 CC(=O)NCCCc1ccc(cc1)Br 240690a_100011297623_100015343762 [0,1,0,0,0,1|2,0,0]=4 6074 B14R1.677 CC(=O)NCCCc1ccc(cc1)Br 527a_100011297623_100103153847 [0,1,0,0,0,1|2,0,0]=4 6075 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 11a_100011236272_100015343762 [0,1,0,0,0,1|2,0,0]=4 6076 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 1626a_100011236272_100015343762 [0,1,0,0,0,1|2,0,0]=4 6077 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 240690a_100011236272_100015343762 [0,1,0,0,0,1|2,0,0]=4 6078 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 527a_100011236272_100103153847 [0,1,0,0,0,1|2,0,0]=4 6079 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl 11a_100000748451_100015343762 [0,1,0,0,0,1|2,0,0]=4 6080 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl 1626a_100000748451_100015343762 [0,1,0,0,0,1|2,0,0]=4 6081 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl 240690a_100000748451_100015343762 [0,1,0,0,0,1|2,0,0]=4 6082 B14R1.677 CC(=O)NCCCc1ccc(cc1)Cl 527a_100000748451_100103153847 [0,1,0,0,0,1|2,0,0]=4 6083 B14R1.677 CC(=O)NCCCc1ccc(cc1)F 11a_100025745824_100015343762 [0,1,0,0,0,1|2,0,0]=4 6084 B14R1.677 CC(=O)NCCCc1ccc(cc1)F 1626a_100025745824_100015343762 [0,1,0,0,0,1|2,0,0]=4 6085 B14R1.677 CC(=O)NCCCc1ccc(cc1)F 240690a_100025745824_100015343762 [0,1,0,0,0,1|2,0,0]=4 6086 B14R1.677 CC(=O)NCCCc1ccc(cc1)F 527a_100025745824_100103153847 [0,1,0,0,0,1|2,0,0]=4 6087 B14R1.677 CC(=O)NCCNc1ccc(cc1)Br 2230a_100000210018_100000189650 [0,1,0,0,0,1|2,0,0]=4 6088 B14R1.677 CC(=O)NCCNc1ccc(cc1)Cl 2230a_100000210052_100000189650 [0,1,0,0,0,1|2,0,0]=4 6089 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 11a_100000746992_100015343762 [0,1,0,0,0,1|1,0,0]=3 6090 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 1626a_100000746992_100015343762 [0,1,0,0,0,1|1,0,0]=3 6091 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 240690a_100000746992_100015343762 [0,1,0,0,0,1|1,0,0]=3 6092 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 527a_100000746992_100103153847 [0,1,0,0,0,1|1,0,0]=3 6093 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br 7a_100000185759_100000189650 [0,1,0,0,0,1|1,0,0]=3 6094 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 11a_100020666663_100015343762 [0,1,0,0,0,1|1,0,0]=3 6095 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 1626a_100020666663_100015343762 [0,1,0,0,0,1|1,0,0]=3 6096 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 240690a_100020666663_100015343762 [0,1,0,0,0,1|1,0,0]=3 6097 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 527a_100020666663_100103153847 [0,1,0,0,0,1|1,0,0]=3 6098 B14R1.677 CC(=O)NCCOc1ccc(cc1)C 7a_100000210336_100000189650 [0,1,0,0,0,1|1,0,0]=3 6099 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 11a_100000697975_100015343762 [0,1,0,0,0,1|1,0,0]=3 6100 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 1626a_100000697975_100015343762 [0,1,0,0,0,1|1,0,0]=3 6101 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 240690a_100000697975_100015343762 [0,1,0,0,0,1|1,0,0]=3 6102 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 527a_100000697975_100103153847 [0,1,0,0,0,1|1,0,0]=3 6103 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl 7a_100000210216_100000189650 [0,1,0,0,0,1|1,0,0]=3 6104 B14R1.677 CC(=O)NCCOc1ccc(cc1)F 11a_100000737420_100015343762 [0,1,0,0,0,1|1,0,0]=3 6105 B14R1.677 CC(=O)NCCOc1ccc(cc1)F 1626a_100000737420_100015343762 [0,1,0,0,0,1|1,0,0]=3 6106 B14R1.677 CC(=O)NCCOc1ccc(cc1)F 240690a_100000737420_100015343762 [0,1,0,0,0,1|1,0,0]=3 6107 B14R1.677 CC(=O)NCCOc1ccc(cc1)F 527a_100000737420_100103153847 [0,1,0,0,0,1|1,0,0]=3 6108 B14R1.677 CC(=O)NCCOc1ccc(cc1)I 7a_100000212066_100000189650 [0,1,0,0,0,1|1,0,0]=3 6109 B14R1.677 CC(=O)NCCOc1ccc(cc1)O 271570a_203496583355_200009814669 [0,1,0,0,0,1|1,0,0]=3 6110 B14R1.677 CC(=O)NCCOc1ccc(nc1)Br 7a_100000685995_100000189650 [0,1,0,0,0,1|2,0,0]=4 6111 B14R1.677 CC(=O)NCCOc1ccc(nc1)C 7a_100000745506_100000189650 [0,1,0,0,0,1|2,0,0]=4 6112 B14R1.677 CC(=O)NCCOc1ccc(nc1)Cl 7a_100000744096_100000189650 [0,1,0,0,0,1|2,0,0]=4 6113 B14R1.677 CC(=O)NCCOc1ccc(nc1)F 7a_100000688820_100000189650 [0,1,0,0,0,1|2,0,0]=4 6114 B14R1.677 CC(=O)NCCOc1ccc(nc1)I 7a_100000687607_100000189650 [0,1,0,0,0,1|2,0,0]=4 6115 B14R1.677 CC(=O)NCCOc1ccc(nc1)N 7a_100015188713_100000189650 [0,1,0,0,0,1|2,0,0]=4 6116 B14R1.677 CC(=O)NCCSc1ccc(cc1)Br 240690a_100000184645_100015343762 [0,1,0,0,0,1|1,1,0]=4 6117 B14R1.677 CC(=O)NCCSc1ccc(cc1)Br 527a_100000184645_100103153847 [0,1,0,0,0,1|1,1,0]=4 6118 B14R1.677 CC(=O)NCCSc1ccc(cc1)Br 62a_100000189650_100000752885 [0,1,0,0,0,1|1,1,0]=4 6119 B14R1.677 CC(=O)NCCSc1ccc(cc1)Br 62a_100000752885_100000189650 [0,1,0,0,0,1|1,1,0]=4 6120 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 11a_100000739754_100015343762 [0,1,0,0,0,1|1,1,0]=4 6121 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 240690a_100000739754_100015343762 [0,1,0,0,0,1|1,1,0]=4 6122 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 527a_100000739754_100103153847 [0,1,0,0,0,1|1,1,0]=4 6123 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 62a_100000186775_100000189650 [0,1,0,0,0,1|1,1,0]=4 6124 B14R1.677 CC(=O)NCCSc1ccc(cc1)C 62a_100000189650_100000186775 [0,1,0,0,0,1|1,1,0]=4 6125 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 11a_100000174974_100015343762 [0,1,0,0,0,1|1,1,0]=4 6126 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 240690a_100000174974_100015343762 [0,1,0,0,0,1|1,1,0]=4 6127 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 527a_100000174974_100103153847 [0,1,0,0,0,1|1,1,0]=4 6128 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 62a_100000189650_100000755918 [0,1,0,0,0,1|1,1,0]=4 6129 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl 62a_100000755918_100000189650 [0,1,0,0,0,1|1,1,0]=4 6130 B14R1.677 CC(=O)NCCSc1ccc(cc1)F 62a_100000189650_100000211213 [0,1,0,0,0,1|1,1,0]=4 6131 B14R1.677 CC(=O)NCCSc1ccc(cc1)F 62a_100000211213_100000189650 [0,1,0,0,0,1|1,1,0]=4 6132 B14R1.677 CC(=O)NCCSc1ccc(cc1)N 62a_100000185761_100000189650 [0,1,0,0,0,1|1,1,0]=4 6133 B14R1.677 CC(=O)NCCSc1ccc(cc1)N 62a_100000189650_100000185761 [0,1,0,0,0,1|1,1,0]=4 6134 B14R1.677 CC(=O)NCCSc1ccc(cc1)O 62a_100000189650_100000185759 [0,1,0,0,0,1|1,1,0]=4 6135 B14R1.677 CC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_100009814007 [0,1,0,0,0,1|2,0,0]=4 6136 B14R1.677 CC(=O)OCCNc1ccc(cc1)C 34a_100000124888_100009814007 [0,1,0,0,0,1|2,0,0]=4 6137 B14R1.677 CC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_100009814007 [0,1,0,0,0,1|2,0,0]=4 6138 B14R1.677 CC(=O)OCCNc1ccc(cc1)F 34a_100000185862_100009814007 [0,1,0,0,0,1|2,0,0]=4 6139 B14R1.677 CC(=O)OCCNc1ccc(cc1)I 34a_100000185761_100009814007 [0,1,0,0,0,1|2,0,0]=4 6140 B14R1.677 CC(=O)OCCNc1ccc(cc1)O 34a_100000185829_100009814007 [0,1,0,0,0,1|2,0,0]=4 6141 B14R1.677 CC(=O)OCCOc1ccc(=O)[nH]c1 34a_100000075641_100009814007 [0,1,0,0,0,1|2,0,0]=4 6142 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_100009814007 [0,1,0,0,0,1|1,0,0]=3 6143 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_100009814007 [0,1,0,0,0,1|1,0,0]=3 6144 B14R1.677 CC(=O)OCCOc1ccc(cc1)C 34a_100000210336_100009814007 [0,1,0,0,0,1|1,0,0]=3 6145 B14R1.677 CC(=O)OCCOc1ccc(cc1)C 7a_100000210336_100009814007 [0,1,0,0,0,1|1,0,0]=3 6146 B14R1.677 CC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_100009814007 [0,1,0,0,0,1|1,0,0]=3 6147 B14R1.677 CC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_100009814007 [0,1,0,0,0,1|1,0,0]=3 6148 B14R1.677 CC(=O)OCCOc1ccc(cc1)F 34a_100000210339_100009814007 [0,1,0,0,0,1|1,0,0]=3 6149 B14R1.677 CC(=O)OCCOc1ccc(cc1)I 34a_100000212066_100009814007 [0,1,0,0,0,1|1,0,0]=3 6150 B14R1.677 CC(=O)OCCOc1ccc(cc1)I 7a_100000212066_100009814007 [0,1,0,0,0,1|1,0,0]=3 6151 B14R1.677 CC(=O)OCCOc1ccc(cc1)N 34a_100000185829_100009814007 [0,1,0,0,0,1|1,0,0]=3 6152 B14R1.677 CC(=O)OCCOc1ccc(cn1)C 34a_100000759353_100009814007 [0,1,0,0,0,1|2,0,0]=4 6153 B14R1.677 CC(=O)OCCOc1ccc(cn1)Cl 34a_100011215309_100009814007 [0,1,0,0,0,1|2,0,0]=4 6154 B14R1.677 CC(=O)OCCOc1ccc(cn1)F 34a_100000742473_100009814007 [0,1,0,0,0,1|2,0,0]=4 6155 B14R1.677 CC(=O)OCCOc1ccc(cn1)N 34a_100000729260_100009814007 [0,1,0,0,0,1|2,0,0]=4 6156 B14R1.677 CC(=O)OCCOc1ccc(nc1)Br 34a_100000685995_100009814007 [0,1,0,0,0,1|2,0,0]=4 6157 B14R1.677 CC(=O)OCCOc1ccc(nc1)Br 7a_100000685995_100009814007 [0,1,0,0,0,1|2,0,0]=4 6158 B14R1.677 CC(=O)OCCOc1ccc(nc1)C 34a_100000745506_100009814007 [0,1,0,0,0,1|2,0,0]=4 6159 B14R1.677 CC(=O)OCCOc1ccc(nc1)C 7a_100000745506_100009814007 [0,1,0,0,0,1|2,0,0]=4 6160 B14R1.677 CC(=O)OCCOc1ccc(nc1)Cl 34a_100000744096_100009814007 [0,1,0,0,0,1|2,0,0]=4 6161 B14R1.677 CC(=O)OCCOc1ccc(nc1)Cl 7a_100000744096_100009814007 [0,1,0,0,0,1|2,0,0]=4 6162 B14R1.677 CC(=O)OCCOc1ccc(nc1)F 34a_100000688820_100009814007 [0,1,0,0,0,1|2,0,0]=4 6163 B14R1.677 CC(=O)OCCOc1ccc(nc1)F 7a_100000688820_100009814007 [0,1,0,0,0,1|2,0,0]=4 6164 B14R1.677 CC(=O)OCCOc1ccc(nc1)I 34a_100000687607_100009814007 [0,1,0,0,0,1|2,0,0]=4 6165 B14R1.677 CC(=O)OCCOc1ccc(nc1)I 7a_100000687607_100009814007 [0,1,0,0,0,1|2,0,0]=4 6166 B14R1.677 CC(=O)OCCOc1ccc(nc1)N 34a_100015188713_100009814007 [0,1,0,0,0,1|2,0,0]=4 6167 B14R1.677 CC(=O)OCCOc1ccc(nc1)N 7a_100015188713_100009814007 [0,1,0,0,0,1|2,0,0]=4 6168 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_100009814007 [0,1,0,0,0,1|1,1,0]=4 6169 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100009814007_100000752885 [0,1,0,0,0,1|1,1,0]=4 6170 B14R1.677 CC(=O)OCCSc1ccc(cc1)C 62a_100000186775_100009814007 [0,1,0,0,0,1|1,1,0]=4 6171 B14R1.677 CC(=O)OCCSc1ccc(cc1)C 62a_100009814007_100000186775 [0,1,0,0,0,1|1,1,0]=4 6172 B14R1.677 CC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_100009814007 [0,1,0,0,0,1|1,1,0]=4 6173 B14R1.677 CC(=O)OCCSc1ccc(cc1)Cl 62a_100009814007_100000755918 [0,1,0,0,0,1|1,1,0]=4 6174 B14R1.677 CC(=O)OCCSc1ccc(cc1)F 62a_100000211213_100009814007 [0,1,0,0,0,1|1,1,0]=4 6175 B14R1.677 CC(=O)OCCSc1ccc(cc1)F 62a_100009814007_100000211213 [0,1,0,0,0,1|1,1,0]=4 6176 B14R1.677 CC(=O)OCCSc1ccc(cc1)N 62a_100000185761_100009814007 [0,1,0,0,0,1|1,1,0]=4 6177 B14R1.677 CC(=O)OCCSc1ccc(cc1)N 62a_100009814007_100000185761 [0,1,0,0,0,1|1,1,0]=4 6178 B14R1.677 CC(=O)OCCSc1ccc(cc1)O 62a_100009814007_100000185759 [0,1,0,0,0,1|1,1,0]=4 6179 B14R1.677 CC(=O)OCOCc1ccc(cc1)Br 34a_100000695286_100009813279 [0,1,0,0,0,1|2,0,0]=4 6180 B14R1.677 CC(=O)OCOCc1ccc(cc1)C 34a_100011215236_100009813279 [0,1,0,0,0,1|2,0,0]=4 6181 B14R1.677 CC(=O)OCOCc1ccc(cc1)Cl 34a_100000211118_100009813279 [0,1,0,0,0,1|2,0,0]=4 6182 B14R1.677 CC(=O)OCOCc1ccc(cc1)F 34a_100000210977_100009813279 [0,1,0,0,0,1|2,0,0]=4 6183 B14R1.677 CC(=O)OCOCc1ccc(cc1)I 34a_100000690907_100009813279 [0,1,0,0,0,1|2,0,0]=4 6184 B14R1.677 CC(=O)OCOCc1ccc(cc1)N 34a_100011215238_100009813279 [0,1,0,0,0,1|2,0,0]=4 6185 B14R1.677 CC(O)CCCOc1ccc(cc1)Br 34a_100000185759_200000718107 [0,1,0,0,0,1|1,0,1]=4 6186 B14R1.677 CC(O)CCCOc1ccc(cc1)Br 7a_100000185759_200000718107 [0,1,0,0,0,1|1,0,1]=4 6187 B14R1.677 CC(O)CCCOc1ccc(cc1)Cl 34a_100000210216_200000718107 [0,1,0,0,0,1|1,0,1]=4 6188 B14R1.677 CC(O)CCCOc1ccc(cc1)Cl 7a_100000210216_200000718107 [0,1,0,0,0,1|1,0,1]=4 6189 B14R1.677 CC(O)CCCOc1ccc(cc1)F 34a_100000210339_200000718107 [0,1,0,0,0,1|1,0,1]=4 6190 B14R1.677 CC(O)CCCOc1ccc(cc1)I 34a_100000212066_200000718107 [0,1,0,0,0,1|1,0,1]=4 6191 B14R1.677 CC(O)CCCOc1ccc(cc1)I 7a_100000212066_200000718107 [0,1,0,0,0,1|1,0,1]=4 6192 B14R1.677 CC(O)CCCOc1ccc(cc1)N 34a_100000185829_200000718107 [0,1,0,0,0,1|1,0,1]=4 6193 B14R1.677 CC(O)CCOCc1ccc(cc1)Br 34a_100000695286_100012276601 [0,1,0,0,0,1|1,0,1]=4 6194 B14R1.677 CC(O)CCOCc1ccc(cc1)Cl 34a_100000211118_100012276601 [0,1,0,0,0,1|1,0,1]=4 6195 B14R1.677 CC(O)CCOCc1ccc(cc1)Cl 7a_100000211118_100012276601 [0,1,0,0,0,1|1,0,1]=4 6196 B14R1.677 CC(O)CCOCc1ccc(cc1)F 34a_100000210977_100012276601 [0,1,0,0,0,1|1,0,1]=4 6197 B14R1.677 CC(O)CCOCc1ccc(cc1)F 7a_100000210977_100012276601 [0,1,0,0,0,1|1,0,1]=4 6198 B14R1.677 CC(O)CCOCc1ccc(cc1)I 34a_100000690907_100012276601 [0,1,0,0,0,1|1,0,1]=4 6199 B14R1.677 CC(O)CCOCc1ccc(cc1)I 7a_100000690907_100012276601 [0,1,0,0,0,1|1,0,1]=4 6200 B14R1.677 CC(O)CCOCc1ccc(cc1)N 34a_100011215238_100012276601 [0,1,0,0,0,1|1,0,1]=4 6201 B14R1.677 C[n+]1ccc(cc1)COCCC(=O)N 34a_100009831711_100000731001 [0,1,0,0,0,1|2,0,0]=4 6202 B14R1.677 Cc1ccc(cc1)CCNCC(=O)N 2230a_100000705350_100000747473 [0,1,0,0,0,1|2,0,0]=4 6203 B14R1.677 Cc1ccc(cc1)CCNCC(=O)N 2230a_100000711301_100011713686 [0,1,0,0,0,1|2,0,0]=4 6204 B14R1.677 Cc1ccc(cc1)CCNCC(=O)N 34a_100000705350_100000187820 [0,1,0,0,0,1|2,0,0]=4 6205 B14R1.677 Cc1ccc(cc1)CCNCC(=O)O 269956a_100016091260_100011713686 [0,1,0,0,0,1|1,0,0]=3 6206 B14R1.677 Cc1ccc(cc1)CCNCC(=O)[O-] 34a_100000705350_100020667443 [0,1,0,0,0,1|1,0,1]=4 6207 B14R1.677 Cc1ccc(cc1)CCOCC(=O)N 34a_100000756670_100000187820 [0,1,0,0,0,1|2,0,0]=4 6208 B14R1.677 Cc1ccc(cc1)CCOCC(=O)N 7a_100000756670_100000187820 [0,1,0,0,0,1|2,0,0]=4 6209 B14R1.677 Cc1ccc(cc1)CCOCC(=O)[O-] 34a_100000756670_100020667443 [0,1,0,0,0,1|1,0,1]=4 6210 B14R1.677 Cc1ccc(cc1)CCSCC(=O)N 62a_100000747473_100011713686 [0,1,0,0,0,1|2,0,0]=4 6211 B14R1.677 Cc1ccc(cc1)CCSCC(=O)N 62a_100011713686_100000747473 [0,1,0,0,0,1|2,0,0]=4 6212 B14R1.677 Cc1ccc(cc1)CCSCC(=O)[O-] 62a_100011713686_100020667443 [0,1,0,0,0,1|1,0,1]=4 6213 B14R1.677 Cc1ccc(cc1)CCSCC(=O)[O-] 62a_100020667443_100011713686 [0,1,0,0,0,1|1,0,1]=4 6214 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 207a_100000740010_100000211033 [0,1,0,0,0,1|2,0,0]=4 6215 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 2230a_100000174908_100000744528 [0,1,0,0,0,1|2,0,0]=4 6216 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 34a_100000174908_100000731001 [0,1,0,0,0,1|2,0,0]=4 6217 B14R1.677 Cc1ccc(cc1)CNOCC(=O)O 269956a_100000106656_100000210814 [0,1,0,0,0,1|2,0,0]=4 6218 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 34a_100000757172_100000210814 [0,1,0,0,0,1|1,0,0]=3 6219 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 34a_100011215236_100000731001 [0,1,0,0,0,1|1,0,0]=3 6220 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 7a_100000757172_100000210814 [0,1,0,0,0,1|1,0,0]=3 6221 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 7a_100011215236_100000744528 [0,1,0,0,0,1|1,0,0]=3 6222 B14R1.677 Cc1ccc(cc1)COCCC(C)O 34a_100011215236_100012276601 [0,1,0,0,0,1|1,0,1]=4 6223 B14R1.677 Cc1ccc(cc1)COCCC(C)O 7a_100011215236_100012276601 [0,1,0,0,0,1|1,0,1]=4 6224 B14R1.677 Cc1ccc(cc1)CSCCC(=O)N 62a_100000210814_100000744528 [0,1,0,0,0,1|1,1,0]=4 6225 B14R1.677 Cc1ccc(cc1)CSCCC(=O)N 62a_100000744528_100000210814 [0,1,0,0,0,1|1,1,0]=4 6226 B14R1.677 Cc1ccc(cc1)CSCCC(=O)[13CH3] 1458a_200000173737_200025704644 [0,1,0,0,0,1|1,1,0]=4 6227 B14R1.677 Cc1ccc(cc1)NCCCC(=O)N 34a_100000124888_100102525003 [0,1,0,0,0,1|2,0,0]=4 6228 B14R1.677 Cc1ccc(cc1)NCCOC(=O)N 34a_100000124888_200011214921 [0,1,0,0,0,1|2,0,0]=4 6229 B14R1.677 Cc1ccc(cc1)OCCC=C(F)F 34a_100000210336_200009816681 [0,1,0,0,0,1|2,0,0]=4 6230 B14R1.677 Cc1ccc(cc1)OCCC=C(F)F 7a_100000210336_200009816681 [0,1,0,0,0,1|2,0,0]=4 6231 B14R1.677 Cc1ccc(cc1)OCCCC(=O)N 34a_100000210336_100102525003 [0,1,0,0,0,1|1,0,0]=3 6232 B14R1.677 Cc1ccc(cc1)OCCCC(=O)N 7a_100000210336_100102525003 [0,1,0,0,0,1|1,0,0]=3 6233 B14R1.677 Cc1ccc(cc1)OCCCC(=O)[13CH3] 1458a_100000182836_200025704644 [0,1,0,0,0,1|1,0,0]=3 6234 B14R1.677 Cc1ccc(cc1)OCCCC(C)O 34a_100000210336_200000718107 [0,1,0,0,0,1|1,0,1]=4 6235 B14R1.677 Cc1ccc(cc1)OCCCC(C)O 7a_100000210336_200000718107 [0,1,0,0,0,1|1,0,1]=4 6236 B14R1.677 Cc1ccc(cc1)OCCNC(=O)N 7a_100000210336_200000034859 [0,1,0,0,0,1|1,0,0]=3 6237 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 34a_100000210336_200011214921 [0,1,0,0,0,1|1,0,0]=3 6238 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 7a_100000210336_200011214921 [0,1,0,0,0,1|1,0,0]=3 6239 B14R1.677 Cc1ccc(cc1)SCCCC(=O)N 62a_100000186775_100102525003 [0,1,0,0,0,1|1,1,0]=4 6240 B14R1.677 Cc1ccc(cc1)SCCCC(=O)N 62a_100102525003_100000186775 [0,1,0,0,0,1|1,1,0]=4 6241 B14R1.677 Cc1ccc(cc1)SCCNC(=O)N 62a_100000186775_200000034859 [0,1,0,0,0,1|1,1,0]=4 6242 B14R1.677 Cc1ccc(cc1)SCCNC(=O)N 62a_200000034859_100000186775 [0,1,0,0,0,1|1,1,0]=4 6243 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_100000186775_200011214921 [0,1,0,0,0,1|1,1,0]=4 6244 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_200011214921_100000186775 [0,1,0,0,0,1|1,1,0]=4 6245 B14R1.677 Cc1ccc(cn1)COCCC(=O)N 34a_100000757172_100016987292 [0,1,0,0,0,1|2,0,0]=4 6246 B14R1.677 Cc1ccc(cn1)COCCC(=O)N 34a_100011248133_100000731001 [0,1,0,0,0,1|2,0,0]=4 6247 B14R1.677 Cc1ccc(cn1)COCCC(=O)N 7a_100000757172_100016987292 [0,1,0,0,0,1|2,0,0]=4 6248 B14R1.677 Cc1ccc(cn1)OCCCC(=O)N 34a_100000745506_100102525003 [0,1,0,0,0,1|2,0,0]=4 6249 B14R1.677 Cc1ccc(cn1)OCCCC(=O)N 7a_100000745506_100102525003 [0,1,0,0,0,1|2,0,0]=4 6250 B14R1.677 Cc1ccc(cn1)OCCNC(=O)N 7a_100000745506_200000034859 [0,1,0,0,0,1|2,0,0]=4 6251 B14R1.677 Cc1ccc(cn1)OCCOC(=O)N 34a_100000745506_200011214921 [0,1,0,0,0,1|2,0,0]=4 6252 B14R1.677 Cc1ccc(cn1)OCCOC(=O)N 7a_100000745506_200011214921 [0,1,0,0,0,1|2,0,0]=4 6253 B14R1.677 Cc1ccc(nc1)COCCC(=O)N 34a_100000757172_100000691093 [0,1,0,0,0,1|2,0,0]=4 6254 B14R1.677 Cc1ccc(nc1)COCCC(=O)N 34a_100012001401_100000731001 [0,1,0,0,0,1|2,0,0]=4 6255 B14R1.677 Cc1ccc(nc1)COCCC(=O)N 7a_100000757172_100000691093 [0,1,0,0,0,1|2,0,0]=4 6256 B14R1.677 Cc1ccc(nc1)OCCCC(=O)N 34a_100000759353_100102525003 [0,1,0,0,0,1|2,0,0]=4 6257 B14R1.677 Cc1ccc(nc1)OCCOC(=O)N 34a_100000759353_200011214921 [0,1,0,0,0,1|2,0,0]=4 6258 B14R1.677 FC(=CCCOc1ccc(cc1)Br)F 34a_100000185759_200009816681 [0,1,0,0,0,1|2,0,0]=4 6259 B14R1.677 FC(=CCCOc1ccc(cc1)Br)F 7a_100000185759_200009816681 [0,1,0,0,0,1|2,0,0]=4 6260 B14R1.677 FC(=CCCOc1ccc(cc1)Cl)F 34a_100000210216_200009816681 [0,1,0,0,0,1|2,0,0]=4 6261 B14R1.677 FC(=CCCOc1ccc(cc1)Cl)F 7a_100000210216_200009816681 [0,1,0,0,0,1|2,0,0]=4 6262 B14R1.677 FC(=CCCOc1ccc(cc1)F)F 34a_100000210339_200009816681 [0,1,0,0,0,1|2,0,0]=4 6263 B14R1.677 FC(=CCCOc1ccc(cc1)I)F 34a_100000212066_200009816681 [0,1,0,0,0,1|2,0,0]=4 6264 B14R1.677 FC(=CCCOc1ccc(cc1)I)F 7a_100000212066_200009816681 [0,1,0,0,0,1|2,0,0]=4 6265 B14R1.677 NC(=O)CCCNc1ccc(cc1)Br 34a_100000210018_100102525003 [0,1,0,0,0,1|2,0,0]=4 6266 B14R1.677 NC(=O)CCCNc1ccc(cc1)Cl 34a_100000210052_100102525003 [0,1,0,0,0,1|2,0,0]=4 6267 B14R1.677 NC(=O)CCCNc1ccc(cc1)F 34a_100000185862_100102525003 [0,1,0,0,0,1|2,0,0]=4 6268 B14R1.677 NC(=O)CCCNc1ccc(cc1)I 34a_100000185761_100102525003 [0,1,0,0,0,1|2,0,0]=4 6269 B14R1.677 NC(=O)CCCNc1ccc(cc1)O 34a_100000185829_100102525003 [0,1,0,0,0,1|2,0,0]=4 6270 B14R1.677 NC(=O)CCCOc1ccc(=O)[nH]c1 34a_100000075641_100102525003 [0,1,0,0,0,1|2,0,0]=4 6271 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br 34a_100000185759_100102525003 [0,1,0,0,0,1|1,0,0]=3 6272 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br 7a_100000185759_100102525003 [0,1,0,0,0,1|1,0,0]=3 6273 B14R1.677 NC(=O)CCCOc1ccc(cc1)Cl 34a_100000210216_100102525003 [0,1,0,0,0,1|1,0,0]=3 6274 B14R1.677 NC(=O)CCCOc1ccc(cc1)Cl 7a_100000210216_100102525003 [0,1,0,0,0,1|1,0,0]=3 6275 B14R1.677 NC(=O)CCCOc1ccc(cc1)F 34a_100000210339_100102525003 [0,1,0,0,0,1|1,0,0]=3 6276 B14R1.677 NC(=O)CCCOc1ccc(cc1)I 34a_100000212066_100102525003 [0,1,0,0,0,1|1,0,0]=3 6277 B14R1.677 NC(=O)CCCOc1ccc(cc1)I 7a_100000212066_100102525003 [0,1,0,0,0,1|1,0,0]=3 6278 B14R1.677 NC(=O)CCCOc1ccc(cc1)N 34a_100000185829_100102525003 [0,1,0,0,0,1|1,0,0]=3 6279 B14R1.677 NC(=O)CCCOc1ccc(cn1)Cl 34a_100011215309_100102525003 [0,1,0,0,0,1|2,0,0]=4 6280 B14R1.677 NC(=O)CCCOc1ccc(cn1)F 34a_100000742473_100102525003 [0,1,0,0,0,1|2,0,0]=4 6281 B14R1.677 NC(=O)CCCOc1ccc(cn1)N 34a_100000729260_100102525003 [0,1,0,0,0,1|2,0,0]=4 6282 B14R1.677 NC(=O)CCCOc1ccc(nc1)Br 34a_100000685995_100102525003 [0,1,0,0,0,1|2,0,0]=4 6283 B14R1.677 NC(=O)CCCOc1ccc(nc1)Br 7a_100000685995_100102525003 [0,1,0,0,0,1|2,0,0]=4 6284 B14R1.677 NC(=O)CCCOc1ccc(nc1)Cl 34a_100000744096_100102525003 [0,1,0,0,0,1|2,0,0]=4 6285 B14R1.677 NC(=O)CCCOc1ccc(nc1)Cl 7a_100000744096_100102525003 [0,1,0,0,0,1|2,0,0]=4 6286 B14R1.677 NC(=O)CCCOc1ccc(nc1)F 34a_100000688820_100102525003 [0,1,0,0,0,1|2,0,0]=4 6287 B14R1.677 NC(=O)CCCOc1ccc(nc1)F 7a_100000688820_100102525003 [0,1,0,0,0,1|2,0,0]=4 6288 B14R1.677 NC(=O)CCCOc1ccc(nc1)I 34a_100000687607_100102525003 [0,1,0,0,0,1|2,0,0]=4 6289 B14R1.677 NC(=O)CCCOc1ccc(nc1)I 7a_100000687607_100102525003 [0,1,0,0,0,1|2,0,0]=4 6290 B14R1.677 NC(=O)CCCOc1ccc(nc1)N 34a_100015188713_100102525003 [0,1,0,0,0,1|2,0,0]=4 6291 B14R1.677 NC(=O)CCCOc1ccc(nc1)N 7a_100015188713_100102525003 [0,1,0,0,0,1|2,0,0]=4 6292 B14R1.677 NC(=O)CCCSc1ccc(cc1)Br 62a_100000752885_100102525003 [0,1,0,0,0,1|1,1,0]=4 6293 B14R1.677 NC(=O)CCCSc1ccc(cc1)Br 62a_100102525003_100000752885 [0,1,0,0,0,1|1,1,0]=4 6294 B14R1.677 NC(=O)CCCSc1ccc(cc1)Cl 62a_100000755918_100102525003 [0,1,0,0,0,1|1,1,0]=4 6295 B14R1.677 NC(=O)CCCSc1ccc(cc1)Cl 62a_100102525003_100000755918 [0,1,0,0,0,1|1,1,0]=4 6296 B14R1.677 NC(=O)CCCSc1ccc(cc1)F 62a_100000211213_100102525003 [0,1,0,0,0,1|1,1,0]=4 6297 B14R1.677 NC(=O)CCCSc1ccc(cc1)F 62a_100102525003_100000211213 [0,1,0,0,0,1|1,1,0]=4 6298 B14R1.677 NC(=O)CCCSc1ccc(cc1)N 62a_100000185761_100102525003 [0,1,0,0,0,1|1,1,0]=4 6299 B14R1.677 NC(=O)CCCSc1ccc(cc1)N 62a_100102525003_100000185761 [0,1,0,0,0,1|1,1,0]=4 6300 B14R1.677 NC(=O)CCCSc1ccc(cc1)O 62a_100102525003_100000185759 [0,1,0,0,0,1|1,1,0]=4 6301 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 207a_100000740010_100000186029 [0,1,0,0,0,1|2,0,0]=4 6302 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 2230a_100000174875_100000744528 [0,1,0,0,0,1|2,0,0]=4 6303 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 34a_100000174875_100000731001 [0,1,0,0,0,1|2,0,0]=4 6304 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 207a_100000740010_100000189385 [0,1,0,0,0,1|2,0,0]=4 6305 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 2230a_100000174871_100000744528 [0,1,0,0,0,1|2,0,0]=4 6306 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 34a_100000174871_100000731001 [0,1,0,0,0,1|2,0,0]=4 6307 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 207a_100000740010_100000210084 [0,1,0,0,0,1|2,0,0]=4 6308 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 2230a_100000174882_100000744528 [0,1,0,0,0,1|2,0,0]=4 6309 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 34a_100000174882_100000731001 [0,1,0,0,0,1|2,0,0]=4 6310 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 207a_100000740010_100000188517 [0,1,0,0,0,1|2,0,0]=4 6311 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 2230a_100016989417_100000744528 [0,1,0,0,0,1|2,0,0]=4 6312 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 34a_100016989417_100000731001 [0,1,0,0,0,1|2,0,0]=4 6313 B14R1.677 NC(=O)CCNCc1ccc(cc1)O 34a_100000185549_100000731001 [0,1,0,0,0,1|2,0,0]=4 6314 B14R1.677 NC(=O)CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000731001 [0,1,0,0,0,1|2,0,0]=4 6315 B14R1.677 NC(=O)CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000744528 [0,1,0,0,0,1|2,0,0]=4 6316 B14R1.677 NC(=O)CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000731001 [0,1,0,0,0,1|2,0,0]=4 6317 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 34a_100000695286_100000731001 [0,1,0,0,0,1|1,0,0]=3 6318 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 34a_100000757172_100000189115 [0,1,0,0,0,1|1,0,0]=3 6319 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 7a_100000757172_100011217064 [0,1,0,0,0,1|1,0,0]=3 6320 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 34a_100000211118_100000731001 [0,1,0,0,0,1|1,0,0]=3 6321 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 34a_100000757172_100000694040 [0,1,0,0,0,1|1,0,0]=3 6322 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 7a_100000211118_100000744528 [0,1,0,0,0,1|1,0,0]=3 6323 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 7a_100000757172_100000187161 [0,1,0,0,0,1|1,0,0]=3 6324 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 34a_100000210977_100000731001 [0,1,0,0,0,1|1,0,0]=3 6325 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 34a_100000757172_100000198546 [0,1,0,0,0,1|1,0,0]=3 6326 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 7a_100000210977_100000744528 [0,1,0,0,0,1|1,0,0]=3 6327 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 7a_100000757172_100000198546 [0,1,0,0,0,1|1,0,0]=3 6328 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 34a_100000690907_100000731001 [0,1,0,0,0,1|1,0,0]=3 6329 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 34a_100000757172_100000189116 [0,1,0,0,0,1|1,0,0]=3 6330 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 7a_100000690907_100000744528 [0,1,0,0,0,1|1,0,0]=3 6331 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 7a_100000757172_100000189116 [0,1,0,0,0,1|1,0,0]=3 6332 B14R1.677 NC(=O)CCOCc1ccc(cc1)N 34a_100011215238_100000731001 [0,1,0,0,0,1|1,0,0]=3 6333 B14R1.677 NC(=O)CCOCc1ccc(cn1)Br 34a_100000754261_100000731001 [0,1,0,0,0,1|2,0,0]=4 6334 B14R1.677 NC(=O)CCOCc1ccc(cn1)Br 34a_100000757172_100000702658 [0,1,0,0,0,1|2,0,0]=4 6335 B14R1.677 NC(=O)CCOCc1ccc(cn1)Br 7a_100000757172_100000702658 [0,1,0,0,0,1|2,0,0]=4 6336 B14R1.677 NC(=O)CCOCc1ccc(cn1)Cl 34a_100000703999_100000731001 [0,1,0,0,0,1|2,0,0]=4 6337 B14R1.677 NC(=O)CCOCc1ccc(cn1)Cl 34a_100000757172_100012066911 [0,1,0,0,0,1|2,0,0]=4 6338 B14R1.677 NC(=O)CCOCc1ccc(cn1)Cl 7a_100000757172_100012066911 [0,1,0,0,0,1|2,0,0]=4 6339 B14R1.677 NC(=O)CCOCc1ccc(cn1)F 34a_100000757172_100000703193 [0,1,0,0,0,1|2,0,0]=4 6340 B14R1.677 NC(=O)CCOCc1ccc(cn1)F 34a_100011999454_100000731001 [0,1,0,0,0,1|2,0,0]=4 6341 B14R1.677 NC(=O)CCOCc1ccc(cn1)F 7a_100000757172_100000703193 [0,1,0,0,0,1|2,0,0]=4 6342 B14R1.677 NC(=O)CCOCc1ccc(cn1)N 34a_100011998161_100000731001 [0,1,0,0,0,1|2,0,0]=4 6343 B14R1.677 NC(=O)CCOCc1ccc(nc1)Br 34a_100000757172_100009831999 [0,1,0,0,0,1|2,0,0]=4 6344 B14R1.677 NC(=O)CCOCc1ccc(nc1)Br 34a_100009816760_100000731001 [0,1,0,0,0,1|2,0,0]=4 6345 B14R1.677 NC(=O)CCOCc1ccc(nc1)Br 7a_100000757172_100009831999 [0,1,0,0,0,1|2,0,0]=4 6346 B14R1.677 NC(=O)CCOCc1ccc(nc1)Br 7a_100009816760_100000744528 [0,1,0,0,0,1|2,0,0]=4 6347 B14R1.677 NC(=O)CCOCc1ccc(nc1)Cl 34a_100000755211_100000731001 [0,1,0,0,0,1|2,0,0]=4 6348 B14R1.677 NC(=O)CCOCc1ccc(nc1)Cl 34a_100000757172_100000735431 [0,1,0,0,0,1|2,0,0]=4 6349 B14R1.677 NC(=O)CCOCc1ccc(nc1)Cl 7a_100000755211_100000744528 [0,1,0,0,0,1|2,0,0]=4 6350 B14R1.677 NC(=O)CCOCc1ccc(nc1)Cl 7a_100000757172_100000735431 [0,1,0,0,0,1|2,0,0]=4 6351 B14R1.677 NC(=O)CCOCc1ccc(nc1)F 34a_100000079959_100000731001 [0,1,0,0,0,1|2,0,0]=4 6352 B14R1.677 NC(=O)CCOCc1ccc(nc1)F 34a_100000757172_100000099788 [0,1,0,0,0,1|2,0,0]=4 6353 B14R1.677 NC(=O)CCOCc1ccc(nc1)F 7a_100000757172_100009820150 [0,1,0,0,0,1|2,0,0]=4 6354 B14R1.677 NC(=O)CCOCc1ccc(nc1)N 34a_100000704267_100000731001 [0,1,0,0,0,1|2,0,0]=4 6355 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000744528 [0,1,0,0,0,1|1,1,0]=4 6356 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br 62a_100000744528_100000189115 [0,1,0,0,0,1|1,1,0]=4 6357 B14R1.677 NC(=O)CCSCc1ccc(cc1)Cl 62a_100000187161_100000744528 [0,1,0,0,0,1|1,1,0]=4 6358 B14R1.677 NC(=O)CCSCc1ccc(cc1)Cl 62a_100000744528_100000187161 [0,1,0,0,0,1|1,1,0]=4 6359 B14R1.677 NC(=O)CCSCc1ccc(cc1)F 62a_100000198546_100000744528 [0,1,0,0,0,1|1,1,0]=4 6360 B14R1.677 NC(=O)CCSCc1ccc(cc1)F 62a_100000744528_100000187164 [0,1,0,0,0,1|1,1,0]=4 6361 B14R1.677 NC(=O)CCSCc1ccc(cc1)I 62a_100000189116_100000744528 [0,1,0,0,0,1|1,1,0]=4 6362 B14R1.677 NC(=O)CCSCc1ccc(cc1)I 62a_100000744528_100000189116 [0,1,0,0,0,1|1,1,0]=4 6363 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 2230a_100000711301_100011740612 [0,1,0,0,0,1|2,0,0]=4 6364 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 2230a_100000755846_100000747473 [0,1,0,0,0,1|2,0,0]=4 6365 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 34a_100000755846_100000187820 [0,1,0,0,0,1|2,0,0]=4 6366 B14R1.677 NC(=O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100000747473 [0,1,0,0,0,1|2,0,0]=4 6367 B14R1.677 NC(=O)CNCCc1ccc(cc1)Cl 2230a_100000711301_100011713675 [0,1,0,0,0,1|2,0,0]=4 6368 B14R1.677 NC(=O)CNCCc1ccc(cc1)Cl 34a_100000185265_100000187820 [0,1,0,0,0,1|2,0,0]=4 6369 B14R1.677 NC(=O)CNCCc1ccc(cc1)F 2230a_100000199005_100000747473 [0,1,0,0,0,1|2,0,0]=4 6370 B14R1.677 NC(=O)CNCCc1ccc(cc1)F 2230a_100000711301_100011217392 [0,1,0,0,0,1|2,0,0]=4 6371 B14R1.677 NC(=O)CNCCc1ccc(cc1)F 34a_100000199005_100000187820 [0,1,0,0,0,1|2,0,0]=4 6372 B14R1.677 NC(=O)CNCCc1ccc(cc1)O 2230a_100000711301_100009816426 [0,1,0,0,0,1|2,0,0]=4 6373 B14R1.677 NC(=O)CNCCc1ccc(cc1)O 34a_100000743037_100000187820 [0,1,0,0,0,1|2,0,0]=4 6374 B14R1.677 NC(=O)COCCc1ccc(cc1)Br 34a_100000766406_100000187820 [0,1,0,0,0,1|2,0,0]=4 6375 B14R1.677 NC(=O)COCCc1ccc(cc1)Br 7a_100000766406_100000187820 [0,1,0,0,0,1|2,0,0]=4 6376 B14R1.677 NC(=O)COCCc1ccc(cc1)Cl 34a_100011219627_100000187820 [0,1,0,0,0,1|2,0,0]=4 6377 B14R1.677 NC(=O)COCCc1ccc(cc1)Cl 7a_100011219627_100000187820 [0,1,0,0,0,1|2,0,0]=4 6378 B14R1.677 NC(=O)COCCc1ccc(cc1)F 34a_100000754732_100000187820 [0,1,0,0,0,1|2,0,0]=4 6379 B14R1.677 NC(=O)COCCc1ccc(cc1)F 7a_100000754732_100000187820 [0,1,0,0,0,1|2,0,0]=4 6380 B14R1.677 NC(=O)COCCc1ccc(cc1)I 34a_100012291149_100000187820 [0,1,0,0,0,1|2,0,0]=4 6381 B14R1.677 NC(=O)COCCc1ccc(cc1)I 7a_100012291149_100000187820 [0,1,0,0,0,1|2,0,0]=4 6382 B14R1.677 NC(=O)COCCc1ccc(cc1)N 34a_100011204434_100000187820 [0,1,0,0,0,1|2,0,0]=4 6383 B14R1.677 NC(=O)CSCCc1ccc(cc1)Br 62a_100000747473_100011740612 [0,1,0,0,0,1|2,0,0]=4 6384 B14R1.677 NC(=O)CSCCc1ccc(cc1)Br 62a_100011740612_100000747473 [0,1,0,0,0,1|2,0,0]=4 6385 B14R1.677 NC(=O)CSCCc1ccc(cc1)Cl 62a_100000747473_100011713675 [0,1,0,0,0,1|2,0,0]=4 6386 B14R1.677 NC(=O)CSCCc1ccc(cc1)Cl 62a_100011713675_100000747473 [0,1,0,0,0,1|2,0,0]=4 6387 B14R1.677 NC(=O)CSCCc1ccc(cc1)F 62a_100000747473_100011217392 [0,1,0,0,0,1|2,0,0]=4 6388 B14R1.677 NC(=O)CSCCc1ccc(cc1)F 62a_100011217392_100000747473 [0,1,0,0,0,1|2,0,0]=4 6389 B14R1.677 NC(=O)CSCCc1ccc(cc1)O 62a_100000747473_100009816426 [0,1,0,0,0,1|2,0,0]=4 6390 B14R1.677 NC(=O)CSCCc1ccc(cc1)O 62a_100009816426_100000747473 [0,1,0,0,0,1|2,0,0]=4 6391 B14R1.677 NC(=O)NCCNc1ccc(cc1)Br 2230a_100000210018_200000034859 [0,1,0,0,0,1|2,0,0]=4 6392 B14R1.677 NC(=O)NCCNc1ccc(cc1)Cl 2230a_100000210052_200000034859 [0,1,0,0,0,1|2,0,0]=4 6393 B14R1.677 NC(=O)NCCOc1ccc(cc1)Br 7a_100000185759_200000034859 [0,1,0,0,0,1|1,0,0]=3 6394 B14R1.677 NC(=O)NCCOc1ccc(cc1)Cl 7a_100000210216_200000034859 [0,1,0,0,0,1|1,0,0]=3 6395 B14R1.677 NC(=O)NCCOc1ccc(cc1)I 7a_100000212066_200000034859 [0,1,0,0,0,1|1,0,0]=3 6396 B14R1.677 NC(=O)NCCOc1ccc(nc1)Br 7a_100000685995_200000034859 [0,1,0,0,0,1|2,0,0]=4 6397 B14R1.677 NC(=O)NCCOc1ccc(nc1)Cl 7a_100000744096_200000034859 [0,1,0,0,0,1|2,0,0]=4 6398 B14R1.677 NC(=O)NCCOc1ccc(nc1)F 7a_100000688820_200000034859 [0,1,0,0,0,1|2,0,0]=4 6399 B14R1.677 NC(=O)NCCOc1ccc(nc1)I 7a_100000687607_200000034859 [0,1,0,0,0,1|2,0,0]=4 6400 B14R1.677 NC(=O)NCCOc1ccc(nc1)N 7a_100015188713_200000034859 [0,1,0,0,0,1|2,0,0]=4 6401 B14R1.677 NC(=O)NCCSc1ccc(cc1)Br 62a_100000752885_200000034859 [0,1,0,0,0,1|1,1,0]=4 6402 B14R1.677 NC(=O)NCCSc1ccc(cc1)Br 62a_200000034859_100000752885 [0,1,0,0,0,1|1,1,0]=4 6403 B14R1.677 NC(=O)NCCSc1ccc(cc1)Cl 62a_100000755918_200000034859 [0,1,0,0,0,1|1,1,0]=4 6404 B14R1.677 NC(=O)NCCSc1ccc(cc1)Cl 62a_200000034859_100000755918 [0,1,0,0,0,1|1,1,0]=4 6405 B14R1.677 NC(=O)NCCSc1ccc(cc1)F 62a_100000211213_200000034859 [0,1,0,0,0,1|1,1,0]=4 6406 B14R1.677 NC(=O)NCCSc1ccc(cc1)F 62a_200000034859_100000211213 [0,1,0,0,0,1|1,1,0]=4 6407 B14R1.677 NC(=O)NCCSc1ccc(cc1)N 62a_100000185761_200000034859 [0,1,0,0,0,1|1,1,0]=4 6408 B14R1.677 NC(=O)NCCSc1ccc(cc1)N 62a_200000034859_100000185761 [0,1,0,0,0,1|1,1,0]=4 6409 B14R1.677 NC(=O)NCCSc1ccc(cc1)O 62a_200000034859_100000185759 [0,1,0,0,0,1|1,1,0]=4 6410 B14R1.677 NC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_200011214921 [0,1,0,0,0,1|2,0,0]=4 6411 B14R1.677 NC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_200011214921 [0,1,0,0,0,1|2,0,0]=4 6412 B14R1.677 NC(=O)OCCNc1ccc(cc1)F 34a_100000185862_200011214921 [0,1,0,0,0,1|2,0,0]=4 6413 B14R1.677 NC(=O)OCCNc1ccc(cc1)I 34a_100000185761_200011214921 [0,1,0,0,0,1|2,0,0]=4 6414 B14R1.677 NC(=O)OCCNc1ccc(cc1)O 34a_100000185829_200011214921 [0,1,0,0,0,1|2,0,0]=4 6415 B14R1.677 NC(=O)OCCOc1ccc(=O)[nH]c1 34a_100000075641_200011214921 [0,1,0,0,0,1|2,0,0]=4 6416 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_200011214921 [0,1,0,0,0,1|1,0,0]=3 6417 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_200011214921 [0,1,0,0,0,1|1,0,0]=3 6418 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_200011214921 [0,1,0,0,0,1|1,0,0]=3 6419 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_200011214921 [0,1,0,0,0,1|1,0,0]=3 6420 B14R1.677 NC(=O)OCCOc1ccc(cc1)F 34a_100000210339_200011214921 [0,1,0,0,0,1|1,0,0]=3 6421 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 34a_100000212066_200011214921 [0,1,0,0,0,1|1,0,0]=3 6422 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 7a_100000212066_200011214921 [0,1,0,0,0,1|1,0,0]=3 6423 B14R1.677 NC(=O)OCCOc1ccc(cc1)N 34a_100000185829_200011214921 [0,1,0,0,0,1|1,0,0]=3 6424 B14R1.677 NC(=O)OCCOc1ccc(cn1)Cl 34a_100011215309_200011214921 [0,1,0,0,0,1|2,0,0]=4 6425 B14R1.677 NC(=O)OCCOc1ccc(cn1)F 34a_100000742473_200011214921 [0,1,0,0,0,1|2,0,0]=4 6426 B14R1.677 NC(=O)OCCOc1ccc(cn1)N 34a_100000729260_200011214921 [0,1,0,0,0,1|2,0,0]=4 6427 B14R1.677 NC(=O)OCCOc1ccc(nc1)Br 34a_100000685995_200011214921 [0,1,0,0,0,1|2,0,0]=4 6428 B14R1.677 NC(=O)OCCOc1ccc(nc1)Br 7a_100000685995_200011214921 [0,1,0,0,0,1|2,0,0]=4 6429 B14R1.677 NC(=O)OCCOc1ccc(nc1)Cl 34a_100000744096_200011214921 [0,1,0,0,0,1|2,0,0]=4 6430 B14R1.677 NC(=O)OCCOc1ccc(nc1)Cl 7a_100000744096_200011214921 [0,1,0,0,0,1|2,0,0]=4 6431 B14R1.677 NC(=O)OCCOc1ccc(nc1)F 34a_100000688820_200011214921 [0,1,0,0,0,1|2,0,0]=4 6432 B14R1.677 NC(=O)OCCOc1ccc(nc1)F 7a_100000688820_200011214921 [0,1,0,0,0,1|2,0,0]=4 6433 B14R1.677 NC(=O)OCCOc1ccc(nc1)I 34a_100000687607_200011214921 [0,1,0,0,0,1|2,0,0]=4 6434 B14R1.677 NC(=O)OCCOc1ccc(nc1)I 7a_100000687607_200011214921 [0,1,0,0,0,1|2,0,0]=4 6435 B14R1.677 NC(=O)OCCOc1ccc(nc1)N 34a_100015188713_200011214921 [0,1,0,0,0,1|2,0,0]=4 6436 B14R1.677 NC(=O)OCCOc1ccc(nc1)N 7a_100015188713_200011214921 [0,1,0,0,0,1|2,0,0]=4 6437 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_200011214921 [0,1,0,0,0,1|1,1,0]=4 6438 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_200011214921_100000752885 [0,1,0,0,0,1|1,1,0]=4 6439 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_200011214921 [0,1,0,0,0,1|1,1,0]=4 6440 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_200011214921_100000755918 [0,1,0,0,0,1|1,1,0]=4 6441 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_100000211213_200011214921 [0,1,0,0,0,1|1,1,0]=4 6442 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_200011214921_100000211213 [0,1,0,0,0,1|1,1,0]=4 6443 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_100000185761_200011214921 [0,1,0,0,0,1|1,1,0]=4 6444 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_200011214921_100000185761 [0,1,0,0,0,1|1,1,0]=4 6445 B14R1.677 NC(=O)OCCSc1ccc(cc1)O 62a_200011214921_100000185759 [0,1,0,0,0,1|1,1,0]=4 6446 B14R1.677 Nc1ccc(cc1)CCOCC(=O)[O-] 34a_100011204434_100020667443 [0,1,0,0,0,1|1,0,1]=4 6447 B14R1.677 Nc1ccc(cc1)OCCC=C(F)F 34a_100000185829_200009816681 [0,1,0,0,0,1|2,0,0]=4 6448 B14R1.677 O=C(O)CNCCc1ccc(cc1)Br 269956a_100016091260_100011740612 [0,1,0,0,0,1|1,0,0]=3 6449 B14R1.677 O=C(O)CNCCc1ccc(cc1)Cl 269956a_100016091260_100011713675 [0,1,0,0,0,1|1,0,0]=3 6450 B14R1.677 O=C(O)CNCCc1ccc(cc1)F 269956a_100016091260_100011217392 [0,1,0,0,0,1|1,0,0]=3 6451 B14R1.677 O=C(O)CNCCc1ccc(cc1)O 269956a_100016091260_100009816426 [0,1,0,0,0,1|1,0,0]=3 6452 B14R1.677 O=C(O)CONCc1ccc(cc1)Br 269956a_100000106656_100011217064 [0,1,0,0,0,1|2,0,0]=4 6453 B14R1.677 O=C(O)CONCc1ccc(cc1)Cl 269956a_100000106656_100000187161 [0,1,0,0,0,1|2,0,0]=4 6454 B14R1.677 O=C(O)CONCc1ccc(cc1)F 269956a_100000106656_100000198546 [0,1,0,0,0,1|2,0,0]=4 6455 B14R1.677 O=C(O)CONCc1ccc(cc1)I 269956a_100000106656_100000189116 [0,1,0,0,0,1|2,0,0]=4 6456 B14R1.677 O=C([O-])CNCCc1ccc(cc1)Br 34a_100000755846_100020667443 [0,1,0,0,0,1|1,0,1]=4 6457 B14R1.677 O=C([O-])CNCCc1ccc(cc1)Cl 34a_100000185265_100020667443 [0,1,0,0,0,1|1,0,1]=4 6458 B14R1.677 O=C([O-])CNCCc1ccc(cc1)F 34a_100000199005_100020667443 [0,1,0,0,0,1|1,0,1]=4 6459 B14R1.677 O=C([O-])CNCCc1ccc(cc1)O 34a_100000743037_100020667443 [0,1,0,0,0,1|1,0,1]=4 6460 B14R1.677 O=C([O-])COCCc1ccc(cc1)Br 34a_100000766406_100020667443 [0,1,0,0,0,1|1,0,1]=4 6461 B14R1.677 O=C([O-])COCCc1ccc(cc1)Cl 34a_100011219627_100020667443 [0,1,0,0,0,1|1,0,1]=4 6462 B14R1.677 O=C([O-])COCCc1ccc(cc1)F 34a_100000754732_100020667443 [0,1,0,0,0,1|1,0,1]=4 6463 B14R1.677 O=C([O-])COCCc1ccc(cc1)I 34a_100012291149_100020667443 [0,1,0,0,0,1|1,0,1]=4 6464 B14R1.677 O=C([O-])CSCCc1ccc(cc1)Br 62a_100011740612_100020667443 [0,1,0,0,0,1|1,0,1]=4 6465 B14R1.677 O=C([O-])CSCCc1ccc(cc1)Br 62a_100020667443_100011740612 [0,1,0,0,0,1|1,0,1]=4 6466 B14R1.677 O=C([O-])CSCCc1ccc(cc1)Cl 62a_100011713675_100020667443 [0,1,0,0,0,1|1,0,1]=4 6467 B14R1.677 O=C([O-])CSCCc1ccc(cc1)Cl 62a_100020667443_100011713675 [0,1,0,0,0,1|1,0,1]=4 6468 B14R1.677 O=C([O-])CSCCc1ccc(cc1)F 62a_100011217392_100020667443 [0,1,0,0,0,1|1,0,1]=4 6469 B14R1.677 O=C([O-])CSCCc1ccc(cc1)F 62a_100020667443_100011217392 [0,1,0,0,0,1|1,0,1]=4 6470 B14R1.677 O=C([O-])CSCCc1ccc(cc1)O 62a_100009816426_100020667443 [0,1,0,0,0,1|1,0,1]=4 6471 B14R1.677 O=C([O-])CSCCc1ccc(cc1)O 62a_100020667443_100009816426 [0,1,0,0,0,1|1,0,1]=4 6472 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_200025704644 [0,1,0,0,0,1|2,0,0]=4 6473 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_200025704644 [0,1,0,0,0,1|2,0,0]=4 6474 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)F 1458a_100000703604_200025704644 [0,1,0,0,0,1|2,0,0]=4 6475 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)I 1458a_100000749853_200025704644 [0,1,0,0,0,1|2,0,0]=4 6476 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)O 1458a_100000047048_200025704644 [0,1,0,0,0,1|2,0,0]=4 6477 B14R1.677 [13CH3]C(=O)CCCOc1ccc(cc1)Br 1458a_100000183208_200025704644 [0,1,0,0,0,1|1,0,0]=3 6478 B14R1.677 [13CH3]C(=O)CCCOc1ccc(cc1)Cl 1458a_100000741531_200025704644 [0,1,0,0,0,1|1,0,0]=3 6479 B14R1.677 [13CH3]C(=O)CCCOc1ccc(cc1)F 1458a_100000735736_200025704644 [0,1,0,0,0,1|1,0,0]=3 6480 B14R1.677 [13CH3]C(=O)CCCOc1ccc(cc1)I 1458a_100000744034_200025704644 [0,1,0,0,0,1|1,0,0]=3 6481 B14R1.677 [13CH3]C(=O)CCCSc1ccc(cc1)Br 1458a_100000753536_200025704644 [0,1,0,0,0,1|1,1,0]=4 6482 B14R1.677 [13CH3]C(=O)CCCSc1ccc(cc1)Cl 1458a_100000182790_200025704644 [0,1,0,0,0,1|1,1,0]=4 6483 B14R1.716 C#CC(=O)CCCCc1ccccc1 1458a_100000211873_100000701786 [0,1,0,0,0,1|2,0,0]=4 6484 B14R1.716 C#CC(=O)CCCOc1ccccc1 1458a_100000211873_100000199009 [0,1,0,0,0,1|1,0,0]=3 6485 B14R1.716 C#CC(=O)CCCSc1ccccc1 1458a_100000211873_200011203293 [0,1,0,0,0,1|1,1,0]=4 6486 B14R1.716 C#CC(=O)CCOCc1ccccc1 1458a_100000211873_100000234347 [0,1,0,0,0,1|1,0,0]=3 6487 B14R1.716 C#CC(=O)CCSCc1ccccc1 1458a_100000211873_200011297719 [0,1,0,0,0,1|1,1,0]=4 6488 B14R1.716 C=CC(=O)CCCCc1ccccc1 1458a_100000185746_100000701786 [0,1,0,0,0,1|2,0,0]=4 6489 B14R1.716 C=CC(=O)CCCOc1ccccc1 1458a_100000185746_100000199009 [0,1,0,0,0,1|1,0,0]=3 6490 B14R1.716 C=CC(=O)CCCSc1ccccc1 1458a_100000185746_200011203293 [0,1,0,0,0,1|1,1,0]=4 6491 B14R1.716 C=CC(=O)CCOCc1ccccc1 1458a_100000185746_100000234347 [0,1,0,0,0,1|1,0,0]=3 6492 B14R1.716 C=CC(=O)CCSCc1ccccc1 1458a_100000185746_200011297719 [0,1,0,0,0,1|1,1,0]=4 6493 B14R1.716 C=CC(=O)NCCCc1ccccc1 1626a_100000211184_100000185746 [0,1,0,0,0,1|2,0,0]=4 6494 B14R1.716 C=CC(=O)NCCCc1ccccc1 240690a_100000211184_200121576911 [0,1,0,0,0,1|2,0,0]=4 6495 B14R1.716 C=CC(=O)NCCOc1ccccc1 1626a_100000174943_100000185746 [0,1,0,0,0,1|1,0,0]=3 6496 B14R1.716 C=CC(=O)NCCOc1ccccc1 240690a_100000174943_200121576911 [0,1,0,0,0,1|1,0,0]=3 6497 B14R1.716 C=CC(=O)NCCOc1ccccn1 1626a_106741647558_100000185746 [0,1,0,0,0,1|2,0,0]=4 6498 B14R1.716 C=CC(=O)NCCOc1ccccn1 240690a_106741647558_200121576911 [0,1,0,0,0,1|2,0,0]=4 6499 B14R1.716 C=CC(=O)NCCOc1cccnc1 240690a_100000754688_200121576911 [0,1,0,0,0,1|2,0,0]=4 6500 B14R1.716 C=CC(=O)NCCOc1ccncc1 240690a_100025717301_200121576911 [0,1,0,0,0,1|2,0,0]=4 6501 B14R1.716 C=CC(=O)NCCSc1ccccc1 240690a_100000189519_200121576911 [0,1,0,0,0,1|1,1,0]=4 6502 B14R1.716 C=CC(=O)OCCNc1ccccc1 34a_100000106764_100009813456 [0,1,0,0,0,1|2,0,0]=4 6503 B14R1.716 C=CC(=O)OCCOc1ccccc1 34a_100000210340_100009813456 [0,1,0,0,0,1|1,0,0]=3 6504 B14R1.716 C=CC(=O)OCCOc1ccccc1 7a_100000210340_100009813456 [0,1,0,0,0,1|1,0,0]=3 6505 B14R1.716 C=CC(=O)OCCOc1cccnc1 34a_100000210849_100009813456 [0,1,0,0,0,1|2,0,0]=4 6506 B14R1.716 C=CC(=O)OCCOc1cccnc1 7a_100000210849_100009813456 [0,1,0,0,0,1|2,0,0]=4 6507 B14R1.716 C=CC(=O)OCCOc1ccncc1 34a_100000212176_100009813456 [0,1,0,0,0,1|2,0,0]=4 6508 B14R1.716 C=CC(=O)OCCSc1ccccc1 62a_100000719477_100009813456 [0,1,0,0,0,1|1,1,0]=4 6509 B14R1.716 C=CC(=O)OCCSc1ccccc1 62a_100009813456_100000041952 [0,1,0,0,0,1|1,1,0]=4 6510 B14R1.716 CC(CO)NCCOc1ccccc1 2230a_100000174943_100012180447 [0,1,0,0,0,1|1,0,1]=4 6511 B14R1.716 CC(CO)NCCOc1ccccc1 34a_100000174943_100012180447 [0,1,0,0,0,1|1,0,1]=4 6512 B14R1.716 CC(CO)OCCOc1ccccc1 34a_100000210260_100012180447 [0,1,0,0,0,1|1,0,1]=4 6513 B14R1.716 CC(CO)OCCOc1ccccc1 7a_100000210260_100012180447 [0,1,0,0,0,1|1,0,1]=4 6514 B14R1.716 CC(CO)SCCOc1ccccc1 62a_100012180447_100000184471 [0,1,0,0,0,1|1,0,1]=4 6515 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,1,0,0,0,1|2,0,0]=4 6516 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,1,0,0,0,1|2,0,0]=4 6517 B14R1.716 CCC(=O)CCCOc1ccccc1 1458a_100000210414_100000199009 [0,1,0,0,0,1|1,0,0]=3 6518 B14R1.716 CCC(=O)CCCOc1ccccc1 1458a_100000212059_100000210202 [0,1,0,0,0,1|1,0,0]=3 6519 B14R1.716 CCC(=O)CCCSc1ccccc1 1458a_100000182835_100000210202 [0,1,0,0,0,1|1,1,0]=4 6520 B14R1.716 CCC(=O)CCCSc1ccccc1 1458a_100000210414_200011203293 [0,1,0,0,0,1|1,1,0]=4 6521 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000210414_100000234347 [0,1,0,0,0,1|1,0,0]=3 6522 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210202 [0,1,0,0,0,1|1,0,0]=3 6523 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210202 [0,1,0,0,0,1|1,1,0]=4 6524 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000210414_200011297719 [0,1,0,0,0,1|1,1,0]=4 6525 B14R1.716 CCC(=O)COCCc1ccccc1 34a_100000725409_100000765856 [0,1,0,0,0,1|2,0,0]=4 6526 B14R1.716 CCC(=O)COCCc1ccccc1 7a_100000210268_100000747405 [0,1,0,0,0,1|2,0,0]=4 6527 B14R1.716 CCC(=O)CSCCc1ccccc1 62a_100000747405_100011218657 [0,1,0,0,0,1|2,0,0]=4 6528 B14R1.716 CCC(=O)CSCCc1ccccc1 62a_100000765856_100000747405 [0,1,0,0,0,1|2,0,0]=4 6529 B14R1.716 CCC(=O)CSCSc1ccccc1 62a_100000747405_100011218342 [0,1,0,0,0,1|1,1,0]=4 6530 B14R1.716 CCC(=O)CSCSc1ccccc1 62a_100011218342_100000747405 [0,1,0,0,0,1|1,1,0]=4 6531 B14R1.716 CCC(=O)NCCCc1ccccc1 11a_100000211184_100000210414 [0,1,0,0,0,1|2,0,0]=4 6532 B14R1.716 CCC(=O)NCCCc1ccccc1 1626a_100000211184_100000210414 [0,1,0,0,0,1|2,0,0]=4 6533 B14R1.716 CCC(=O)NCCCc1ccccc1 240690a_100000211184_100000210414 [0,1,0,0,0,1|2,0,0]=4 6534 B14R1.716 CCC(=O)NCCCc1ccccc1 527a_100000211184_100000210414 [0,1,0,0,0,1|2,0,0]=4 6535 B14R1.716 CCC(=O)NCCOc1ccccc1 11a_100000174943_100000210414 [0,1,0,0,0,1|1,0,0]=3 6536 B14R1.716 CCC(=O)NCCOc1ccccc1 1626a_100000174943_100000210414 [0,1,0,0,0,1|1,0,0]=3 6537 B14R1.716 CCC(=O)NCCOc1ccccc1 240690a_100000174943_100000210414 [0,1,0,0,0,1|1,0,0]=3 6538 B14R1.716 CCC(=O)NCCOc1ccccc1 527a_100000174943_100000210414 [0,1,0,0,0,1|1,0,0]=3 6539 B14R1.716 CCC(=O)NCCOc1ccccn1 11a_106741647558_100000210414 [0,1,0,0,0,1|2,0,0]=4 6540 B14R1.716 CCC(=O)NCCOc1ccccn1 1626a_106741647558_100000210414 [0,1,0,0,0,1|2,0,0]=4 6541 B14R1.716 CCC(=O)NCCOc1ccccn1 240690a_106741647558_100000210414 [0,1,0,0,0,1|2,0,0]=4 6542 B14R1.716 CCC(=O)NCCOc1ccccn1 527a_106741647558_100000210414 [0,1,0,0,0,1|2,0,0]=4 6543 B14R1.716 CCC(=O)NCCOc1cccnc1 11a_100000754688_100000210414 [0,1,0,0,0,1|2,0,0]=4 6544 B14R1.716 CCC(=O)NCCOc1cccnc1 240690a_100000754688_100000210414 [0,1,0,0,0,1|2,0,0]=4 6545 B14R1.716 CCC(=O)NCCOc1cccnc1 527a_100000754688_100000210414 [0,1,0,0,0,1|2,0,0]=4 6546 B14R1.716 CCC(=O)NCCOc1ccncc1 11a_100025717301_100000210414 [0,1,0,0,0,1|2,0,0]=4 6547 B14R1.716 CCC(=O)NCCOc1ccncc1 240690a_100025717301_100000210414 [0,1,0,0,0,1|2,0,0]=4 6548 B14R1.716 CCC(=O)NCCOc1ccncc1 527a_100025717301_100000210414 [0,1,0,0,0,1|2,0,0]=4 6549 B14R1.716 CCC(=O)NCCSc1ccccc1 240690a_100000189519_100000210414 [0,1,0,0,0,1|1,1,0]=4 6550 B14R1.716 CCC(=O)NCCSc1ccccc1 527a_100000189519_100000210414 [0,1,0,0,0,1|1,1,0]=4 6551 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [0,1,0,0,0,1|2,0,0]=4 6552 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [0,1,0,0,0,1|2,0,0]=4 6553 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [0,1,0,0,0,1|2,0,0]=4 6554 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [0,1,0,0,0,1|2,0,0]=4 6555 B14R1.716 CNC(=O)CCCNc1ccccc1 34a_100000106764_100000741757 [0,1,0,0,0,1|2,0,0]=4 6556 B14R1.716 CNC(=O)CCCOc1ccccc1 11a_106832991635_100000212059 [0,1,0,0,0,1|1,0,0]=3 6557 B14R1.716 CNC(=O)CCCOc1ccccc1 1626a_100102657272_100000212059 [0,1,0,0,0,1|1,0,0]=3 6558 B14R1.716 CNC(=O)CCCOc1ccccc1 240690a_100102657272_100000212059 [0,1,0,0,0,1|1,0,0]=3 6559 B14R1.716 CNC(=O)CCCOc1ccccc1 34a_100000210340_100000741757 [0,1,0,0,0,1|1,0,0]=3 6560 B14R1.716 CNC(=O)CCCOc1ccccc1 527a_100102657272_100000212059 [0,1,0,0,0,1|1,0,0]=3 6561 B14R1.716 CNC(=O)CCCOc1ccccc1 7a_100000210340_100000741757 [0,1,0,0,0,1|1,0,0]=3 6562 B14R1.716 CNC(=O)CCCOc1cccnc1 34a_100000210849_100000741757 [0,1,0,0,0,1|2,0,0]=4 6563 B14R1.716 CNC(=O)CCCOc1cccnc1 7a_100000210849_100000741757 [0,1,0,0,0,1|2,0,0]=4 6564 B14R1.716 CNC(=O)CCCOc1ccncc1 34a_100000212176_100000741757 [0,1,0,0,0,1|2,0,0]=4 6565 B14R1.716 CNC(=O)CCCSc1ccccc1 11a_106832991635_100000182835 [0,1,0,0,0,1|1,1,0]=4 6566 B14R1.716 CNC(=O)CCCSc1ccccc1 1626a_100102657272_100000182835 [0,1,0,0,0,1|1,1,0]=4 6567 B14R1.716 CNC(=O)CCCSc1ccccc1 240690a_100102657272_100000182835 [0,1,0,0,0,1|1,1,0]=4 6568 B14R1.716 CNC(=O)CCCSc1ccccc1 527a_100102657272_100000182835 [0,1,0,0,0,1|1,1,0]=4 6569 B14R1.716 CNC(=O)CCCSc1ccccc1 62a_100000719477_100000741757 [0,1,0,0,0,1|1,1,0]=4 6570 B14R1.716 CNC(=O)CCCSc1ccccc1 62a_100000741757_100000041952 [0,1,0,0,0,1|1,1,0]=4 6571 B14R1.716 CNC(=O)CCNCc1ccccc1 207a_100000738227_100015611070 [0,1,0,0,0,1|2,0,0]=4 6572 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100000738227_100015291786 [0,1,0,0,0,1|2,0,0]=4 6573 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100015324214_100000737683 [0,1,0,0,0,1|2,0,0]=4 6574 B14R1.716 CNC(=O)CCNCc1ccccc1 270004a_100000738227_100015611070 [0,1,0,0,0,1|2,0,0]=4 6575 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100000738227_100015291786 [0,1,0,0,0,1|2,0,0]=4 6576 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100015324214_100012179268 [0,1,0,0,0,1|2,0,0]=4 6577 B14R1.716 CNC(=O)CCOCc1ccccc1 11a_106832991635_100000743319 [0,1,0,0,0,1|1,0,0]=3 6578 B14R1.716 CNC(=O)CCOCc1ccccc1 1626a_100102657272_100000743319 [0,1,0,0,0,1|1,0,0]=3 6579 B14R1.716 CNC(=O)CCOCc1ccccc1 240690a_100102657272_100000743319 [0,1,0,0,0,1|1,0,0]=3 6580 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000210790_100012179268 [0,1,0,0,0,1|1,0,0]=3 6581 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000754576_100015291786 [0,1,0,0,0,1|1,0,0]=3 6582 B14R1.716 CNC(=O)CCOCc1ccccc1 527a_100102657272_100000743319 [0,1,0,0,0,1|1,0,0]=3 6583 B14R1.716 CNC(=O)CCOCc1ccccc1 7a_100000210790_100000737683 [0,1,0,0,0,1|1,0,0]=3 6584 B14R1.716 CNC(=O)CCOCc1ccccn1 34a_100000754576_100000721315 [0,1,0,0,0,1|2,0,0]=4 6585 B14R1.716 CNC(=O)CCOCc1cccnc1 34a_100000754576_100000733263 [0,1,0,0,0,1|2,0,0]=4 6586 B14R1.716 CNC(=O)CCSCc1ccccc1 11a_106832991635_100000173759 [0,1,0,0,0,1|1,1,0]=4 6587 B14R1.716 CNC(=O)CCSCc1ccccc1 1626a_100102657272_100000173759 [0,1,0,0,0,1|1,1,0]=4 6588 B14R1.716 CNC(=O)CCSCc1ccccc1 240690a_100102657272_100000173759 [0,1,0,0,0,1|1,1,0]=4 6589 B14R1.716 CNC(=O)CCSCc1ccccc1 527a_100102657272_100000173759 [0,1,0,0,0,1|1,1,0]=4 6590 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000211182_100000737683 [0,1,0,0,0,1|1,1,0]=4 6591 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000737683_100015291786 [0,1,0,0,0,1|1,1,0]=4 6592 B14R1.716 CNC(=O)CNCCc1ccccc1 2230a_100000106460_100000183359 [0,1,0,0,0,1|2,0,0]=4 6593 B14R1.716 CNC(=O)CNCCc1ccccc1 2230a_100000693194_100000765856 [0,1,0,0,0,1|2,0,0]=4 6594 B14R1.716 CNC(=O)CNCCc1ccccc1 34a_100000106460_100000183359 [0,1,0,0,0,1|2,0,0]=4 6595 B14R1.716 CNC(=O)CNCSc1ccccc1 2230a_100000693194_100011218342 [0,1,0,0,0,1|1,1,0]=4 6596 B14R1.716 CNC(=O)COCCc1ccccc1 34a_100000210268_100000183359 [0,1,0,0,0,1|2,0,0]=4 6597 B14R1.716 CNC(=O)COCCc1ccccc1 34a_100000750040_100000765856 [0,1,0,0,0,1|2,0,0]=4 6598 B14R1.716 CNC(=O)COCCc1ccccc1 7a_100000210268_100000183359 [0,1,0,0,0,1|2,0,0]=4 6599 B14R1.716 CNC(=O)CSCCc1ccccc1 62a_100000183359_100011218657 [0,1,0,0,0,1|2,0,0]=4 6600 B14R1.716 CNC(=O)CSCCc1ccccc1 62a_100000765856_100000183359 [0,1,0,0,0,1|2,0,0]=4 6601 B14R1.716 CNC(=O)CSCSc1ccccc1 62a_100000183359_100011218342 [0,1,0,0,0,1|1,1,0]=4 6602 B14R1.716 CNC(=O)CSCSc1ccccc1 62a_100011218342_100000183359 [0,1,0,0,0,1|1,1,0]=4 6603 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100000211184_106832991635 [0,1,0,0,0,1|2,0,0]=4 6604 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100102657272_100000211184 [0,1,0,0,0,1|2,0,0]=4 6605 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100000211184_100102657272 [0,1,0,0,0,1|2,0,0]=4 6606 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100102657272_100000211184 [0,1,0,0,0,1|2,0,0]=4 6607 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_100000211184_100102657272 [0,1,0,0,0,1|2,0,0]=4 6608 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_106832991638_100000211184 [0,1,0,0,0,1|2,0,0]=4 6609 B14R1.716 CNC(=O)NCCOc1ccccc1 2708a_100000174943_106832991635 [0,1,0,0,0,1|1,0,0]=3 6610 B14R1.716 CNC(=O)NCCOc1ccccc1 2708a_100102657272_100000174943 [0,1,0,0,0,1|1,0,0]=3 6611 B14R1.716 CNC(=O)NCCOc1ccccc1 273464a_100000174943_100102657272 [0,1,0,0,0,1|1,0,0]=3 6612 B14R1.716 CNC(=O)NCCOc1ccccc1 273464a_100102657272_100000174943 [0,1,0,0,0,1|1,0,0]=3 6613 B14R1.716 CNC(=O)NCCOc1ccccc1 512a_100000174943_100102657272 [0,1,0,0,0,1|1,0,0]=3 6614 B14R1.716 CNC(=O)NCCOc1ccccc1 512a_106832991638_100000174943 [0,1,0,0,0,1|1,0,0]=3 6615 B14R1.716 CNC(=O)NCCOc1ccccn1 2708a_100102657272_106741647558 [0,1,0,0,0,1|2,0,0]=4 6616 B14R1.716 CNC(=O)NCCOc1ccccn1 2708a_106741647558_106832991635 [0,1,0,0,0,1|2,0,0]=4 6617 B14R1.716 CNC(=O)NCCOc1ccccn1 273464a_100102657272_106741647558 [0,1,0,0,0,1|2,0,0]=4 6618 B14R1.716 CNC(=O)NCCOc1ccccn1 273464a_106741647558_100102657272 [0,1,0,0,0,1|2,0,0]=4 6619 B14R1.716 CNC(=O)NCCOc1ccccn1 512a_106741647558_100102657272 [0,1,0,0,0,1|2,0,0]=4 6620 B14R1.716 CNC(=O)NCCOc1ccccn1 512a_106832991638_106741647558 [0,1,0,0,0,1|2,0,0]=4 6621 B14R1.716 CNC(=O)NCCOc1cccnc1 2708a_100000754688_106832991635 [0,1,0,0,0,1|2,0,0]=4 6622 B14R1.716 CNC(=O)NCCOc1cccnc1 2708a_100102657272_100000754688 [0,1,0,0,0,1|2,0,0]=4 6623 B14R1.716 CNC(=O)NCCOc1cccnc1 273464a_100000754688_100102657272 [0,1,0,0,0,1|2,0,0]=4 6624 B14R1.716 CNC(=O)NCCOc1cccnc1 273464a_100102657272_100000754688 [0,1,0,0,0,1|2,0,0]=4 6625 B14R1.716 CNC(=O)NCCOc1cccnc1 512a_100000754688_100102657272 [0,1,0,0,0,1|2,0,0]=4 6626 B14R1.716 CNC(=O)NCCOc1cccnc1 512a_106832991638_100000754688 [0,1,0,0,0,1|2,0,0]=4 6627 B14R1.716 CNC(=O)NCCOc1ccncc1 2708a_100025717301_106832991635 [0,1,0,0,0,1|2,0,0]=4 6628 B14R1.716 CNC(=O)NCCOc1ccncc1 2708a_100102657272_100025717301 [0,1,0,0,0,1|2,0,0]=4 6629 B14R1.716 CNC(=O)NCCOc1ccncc1 273464a_100025717301_100102657272 [0,1,0,0,0,1|2,0,0]=4 6630 B14R1.716 CNC(=O)NCCOc1ccncc1 273464a_100102657272_100025717301 [0,1,0,0,0,1|2,0,0]=4 6631 B14R1.716 CNC(=O)NCCOc1ccncc1 512a_100025717301_100102657272 [0,1,0,0,0,1|2,0,0]=4 6632 B14R1.716 CNC(=O)NCCOc1ccncc1 512a_106832991638_100025717301 [0,1,0,0,0,1|2,0,0]=4 6633 B14R1.716 CNC(=O)NCCSc1ccccc1 2708a_100000189519_106832991635 [0,1,0,0,0,1|1,1,0]=4 6634 B14R1.716 CNC(=O)NCCSc1ccccc1 2708a_100102657272_100000189519 [0,1,0,0,0,1|1,1,0]=4 6635 B14R1.716 CNC(=O)NCCSc1ccccc1 273464a_100000189519_100102657272 [0,1,0,0,0,1|1,1,0]=4 6636 B14R1.716 CNC(=O)NCCSc1ccccc1 273464a_100102657272_100000189519 [0,1,0,0,0,1|1,1,0]=4 6637 B14R1.716 CNC(=O)NCCSc1ccccc1 512a_100000189519_100102657272 [0,1,0,0,0,1|1,1,0]=4 6638 B14R1.716 CNC(=O)NCCSc1ccccc1 512a_106832991638_100000189519 [0,1,0,0,0,1|1,1,0]=4 6639 B14R1.716 CNC(=O)OCCNc1ccccc1 34a_100000106764_200011997002 [0,1,0,0,0,1|2,0,0]=4 6640 B14R1.716 CNC(=O)OCCOc1ccccc1 34a_100000210340_200011997002 [0,1,0,0,0,1|1,0,0]=3 6641 B14R1.716 CNC(=O)OCCOc1ccccc1 7a_100000210340_200011997002 [0,1,0,0,0,1|1,0,0]=3 6642 B14R1.716 CNC(=O)OCCOc1cccnc1 34a_100000210849_200011997002 [0,1,0,0,0,1|2,0,0]=4 6643 B14R1.716 CNC(=O)OCCOc1cccnc1 7a_100000210849_200011997002 [0,1,0,0,0,1|2,0,0]=4 6644 B14R1.716 CNC(=O)OCCOc1ccncc1 34a_100000212176_200011997002 [0,1,0,0,0,1|2,0,0]=4 6645 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_100000719477_200011997002 [0,1,0,0,0,1|1,1,0]=4 6646 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_200011997002_100000041952 [0,1,0,0,0,1|1,1,0]=4 6647 B14R1.716 COC(=O)/C=C/CNc1ccccc1 34a_100000106764_100000742655 [0,1,0,0,0,1|1,0,1]=4 6648 B14R1.716 COC(=O)/C=C/COc1ccccc1 34a_100000210340_100000742655 [0,1,0,0,0,1|0,0,1]=3 6649 B14R1.716 COC(=O)/C=C/COc1ccccc1 7a_100000210340_100000742655 [0,1,0,0,0,1|0,0,1]=3 6650 B14R1.716 COC(=O)/C=C/COc1cccnc1 34a_100000210849_100000742655 [0,1,0,0,0,1|1,0,1]=4 6651 B14R1.716 COC(=O)/C=C/COc1cccnc1 7a_100000210849_100000742655 [0,1,0,0,0,1|1,0,1]=4 6652 B14R1.716 COC(=O)/C=C/COc1ccncc1 34a_100000212176_100000742655 [0,1,0,0,0,1|1,0,1]=4 6653 B14R1.716 COC(=O)/C=C/CSc1ccccc1 62a_100000719477_100000742655 [0,1,0,0,0,1|0,1,1]=4 6654 B14R1.716 COC(=O)/C=C/CSc1ccccc1 62a_100000742655_100000041952 [0,1,0,0,0,1|0,1,1]=4 6655 B14R1.716 COC(=O)CC=NNc1ccccc1 4a_100015195140_200011552997 [0,1,0,0,0,1|1,0,1]=4 6656 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,1,0,0,0,1|1,0,0]=3 6657 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,1,0,0,0,1|0,0,0]=2 6658 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,1,0,0,0,1|0,0,0]=2 6659 B14R1.716 COC(=O)CCCOc1cccnc1 34a_100000210849_100000742333 [0,1,0,0,0,1|1,0,0]=3 6660 B14R1.716 COC(=O)CCCOc1cccnc1 7a_100000210849_100011218270 [0,1,0,0,0,1|1,0,0]=3 6661 B14R1.716 COC(=O)CCCOc1ccncc1 34a_100000212176_100000742333 [0,1,0,0,0,1|1,0,0]=3 6662 B14R1.716 COC(=O)CCCOc1ccnnc1 34a_100015204005_100000742333 [0,1,0,0,0,1|2,0,0]=4 6663 B14R1.716 COC(=O)CCCOc1cncnc1 7a_100000754086_100011218270 [0,1,0,0,0,1|2,0,0]=4 6664 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [0,1,0,0,0,1|0,1,0]=3 6665 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [0,1,0,0,0,1|0,1,0]=3 6666 B14R1.716 COC(=O)CCCSc1ccccn1 62a_100011216584_100011218270 [0,1,0,0,0,1|1,1,0]=4 6667 B14R1.716 COC(=O)CCCSc1ccccn1 62a_100011218270_100011216584 [0,1,0,0,0,1|1,1,0]=4 6668 B14R1.716 COC(=O)CCCSc1cccnc1 62a_100000210063_100011218270 [0,1,0,0,0,1|1,1,0]=4 6669 B14R1.716 COC(=O)CCCSc1cccnc1 62a_100011218270_100000210063 [0,1,0,0,0,1|1,1,0]=4 6670 B14R1.716 COC(=O)CCCSc1ccncc1 62a_100000728582_100011218270 [0,1,0,0,0,1|1,1,0]=4 6671 B14R1.716 COC(=O)CCCSc1ccncc1 62a_100011218270_100000728582 [0,1,0,0,0,1|1,1,0]=4 6672 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,1,0,0,0,1|1,0,0]=3 6673 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,1,0,0,0,1|1,0,0]=3 6674 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,1,0,0,0,1|0,0,0]=2 6675 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,1,0,0,0,1|0,0,0]=2 6676 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,1,0,0,0,1|0,1,0]=3 6677 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,1,0,0,0,1|0,1,0]=3 6678 B14R1.716 COC(=O)CCSCc1ccccn1 62a_100000204255_100000721315 [0,1,0,0,0,1|1,1,0]=4 6679 B14R1.716 COC(=O)CCSCc1ccccn1 62a_100000721315_100000204255 [0,1,0,0,0,1|1,1,0]=4 6680 B14R1.716 COC(=O)CCSCc1cccnc1 62a_100000204255_100000741622 [0,1,0,0,0,1|1,1,0]=4 6681 B14R1.716 COC(=O)CCSCc1cccnc1 62a_100000741622_100000204255 [0,1,0,0,0,1|1,1,0]=4 6682 B14R1.716 COC(=O)CCSCc1ccncc1 62a_100000204255_100015193705 [0,1,0,0,0,1|1,1,0]=4 6683 B14R1.716 COC(=O)CCSCc1ccncc1 62a_100015193705_100000204255 [0,1,0,0,0,1|1,1,0]=4 6684 B14R1.716 COC(=O)CNCCc1ccccc1 2230a_100000106460_100000747449 [0,1,0,0,0,1|1,0,0]=3 6685 B14R1.716 COC(=O)CNCCc1ccccc1 34a_100000106460_100000747449 [0,1,0,0,0,1|1,0,0]=3 6686 B14R1.716 COC(=O)CNCCc1cccnc1 2230a_100000736294_100000747449 [0,1,0,0,0,1|2,0,0]=4 6687 B14R1.716 COC(=O)COCCc1ccccc1 34a_100000210268_100000747449 [0,1,0,0,0,1|1,0,0]=3 6688 B14R1.716 COC(=O)COCCc1ccccc1 7a_100000210268_100000747449 [0,1,0,0,0,1|1,0,0]=3 6689 B14R1.716 COC(=O)COCCc1ccccn1 34a_100000210271_100000747449 [0,1,0,0,0,1|2,0,0]=4 6690 B14R1.716 COC(=O)COCCc1cccnc1 34a_100011217484_100000747449 [0,1,0,0,0,1|2,0,0]=4 6691 B14R1.716 COC(=O)COCCc1ccncc1 34a_100011216225_100000747449 [0,1,0,0,0,1|2,0,0]=4 6692 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000747449_100011218657 [0,1,0,0,0,1|1,0,0]=3 6693 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000765856_100000747449 [0,1,0,0,0,1|1,0,0]=3 6694 B14R1.716 COC(=O)CSCCc1ccccn1 62a_100000747449_100015183660 [0,1,0,0,0,1|2,0,0]=4 6695 B14R1.716 COC(=O)CSCCc1ccccn1 62a_100015183660_100000747449 [0,1,0,0,0,1|2,0,0]=4 6696 B14R1.716 COC(=O)CSCCc1cccnc1 62a_100000747449_200011713674 [0,1,0,0,0,1|2,0,0]=4 6697 B14R1.716 COC(=O)CSCCc1cccnc1 62a_200011713674_100000747449 [0,1,0,0,0,1|2,0,0]=4 6698 B14R1.716 COC(=O)CSCCc1ccncc1 62a_100000723409_100000747449 [0,1,0,0,0,1|2,0,0]=4 6699 B14R1.716 COC(=O)CSCCc1ccncc1 62a_100000747449_100000723409 [0,1,0,0,0,1|2,0,0]=4 6700 B14R1.716 COC(=O)CSCSc1ccccc1 62a_100000747449_100011218342 [0,1,0,0,0,1|0,1,0]=3 6701 B14R1.716 COC(=O)CSCSc1ccccc1 62a_100011218342_100000747449 [0,1,0,0,0,1|0,1,0]=3 6702 B14R1.716 COC(=O)OCSCc1ccccc1 62a_100000211182_100000139417 [0,1,0,0,0,1|1,1,0]=4 6703 B14R1.716 COC(C)CCOCc1ccccc1 7a_100000764861_100000211182 [0,1,0,0,0,1|1,0,1]=4 6704 B14R1.716 COC(C)SCCOc1ccccc1 62a_100000184471_100009879195 [0,1,0,0,0,1|1,0,1]=4 6705 B14R1.716 COC(C)SCCOc1ccccc1 62a_100009879195_100000184471 [0,1,0,0,0,1|1,0,1]=4 6706 B14R1.716 C[C@H](CO)NCCOc1ccccc1 2230a_100000737577_100000184471 [0,1,0,0,0,1|1,0,1]=4 6707 B14R1.716 C[C@H](CO)NCCOc1ccccc1 270004a_100000737577_100000758736 [0,1,0,0,0,1|1,0,1]=4 6708 B14R1.716 C[C@H](CO)SCCOc1ccccc1 62a_100000184471_100016084084 [0,1,0,0,0,1|1,0,1]=4 6709 B14R1.716 C[C@H](CO)SCCOc1ccccc1 62a_100016084084_100000184471 [0,1,0,0,0,1|1,0,1]=4 6710 B14R1.716 NC(=NO)CCOCc1ccccc1 34a_100000749954_100015291786 [0,1,0,0,0,1|1,0,0]=3 6711 B14R1.716 NC(=NO)CCOCc1ccccn1 34a_100000749954_100000721315 [0,1,0,0,0,1|2,0,0]=4 6712 B14R1.716 NC(=NO)CCOCc1cccnc1 34a_100000749954_100000733263 [0,1,0,0,0,1|2,0,0]=4 6713 B14R1.716 O=C(CF)CCCCc1ccccc1 1458a_100011215911_100015361967 [0,1,0,0,0,1|2,0,0]=4 6714 B14R1.716 O=C(CF)CCCOc1ccccc1 1458a_100000212059_100015361967 [0,1,0,0,0,1|1,0,0]=3 6715 B14R1.716 O=C(CF)CCCSc1ccccc1 1458a_100000182835_100015361967 [0,1,0,0,0,1|1,1,0]=4 6716 B14R1.716 O=C(CF)CCOCc1ccccc1 1458a_100000743319_100015361967 [0,1,0,0,0,1|1,0,0]=3 6717 B14R1.716 O=C(CF)CCSCc1ccccc1 1458a_100000173759_100015361967 [0,1,0,0,0,1|1,1,0]=4 6718 B14R1.716 O=C(CO)CCCCc1ccccc1 1458a_100000210174_100000701786 [0,1,0,0,0,1|1,0,0]=3 6719 B14R1.716 O=C(CO)CCCCc1ccncc1 1458a_100000210174_100020630000 [0,1,0,0,0,1|2,0,0]=4 6720 B14R1.716 O=C(CO)CCCOc1ccccc1 1458a_100000210174_100000199009 [0,1,0,0,0,1|0,0,0]=2 6721 B14R1.716 O=C(CO)CCCSc1ccccc1 1458a_100000210174_200011203293 [0,1,0,0,0,1|0,1,0]=3 6722 B14R1.716 O=C(CO)CCOCc1ccccc1 1458a_100000210174_100000234347 [0,1,0,0,0,1|0,0,0]=2 6723 B14R1.716 O=C(CO)CCSCc1ccccc1 1458a_100000210174_200011297719 [0,1,0,0,0,1|0,1,0]=3 6724 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 240690a_100020603302_100000210174 [0,1,0,0,0,1|1,0,1]=4 6725 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 527a_100020603302_100000210174 [0,1,0,0,0,1|1,0,1]=4 6726 B14R1.716 O=C(CO)NCC#Cc1ccccc1 240690a_100000735379_100000210174 [0,1,0,0,0,1|1,0,1]=4 6727 B14R1.716 O=C(CO)NCC#Cc1ccccc1 527a_100000735379_100000210174 [0,1,0,0,0,1|1,0,1]=4 6728 B14R1.716 O=C(CO)NCCCc1ccccc1 240690a_100000211184_100000210174 [0,1,0,0,0,1|1,0,0]=3 6729 B14R1.716 O=C(CO)NCCCc1ccccc1 527a_100000211184_100000210174 [0,1,0,0,0,1|1,0,0]=3 6730 B14R1.716 O=C(CO)NCCCc1ccccn1 240690a_100000689020_100000210174 [0,1,0,0,0,1|2,0,0]=4 6731 B14R1.716 O=C(CO)NCCCc1ccccn1 527a_100000689020_100000210174 [0,1,0,0,0,1|2,0,0]=4 6732 B14R1.716 O=C(CO)NCCCc1cccnc1 240690a_100011532358_100000210174 [0,1,0,0,0,1|2,0,0]=4 6733 B14R1.716 O=C(CO)NCCCc1ccncc1 240690a_100011275580_100000210174 [0,1,0,0,0,1|2,0,0]=4 6734 B14R1.716 O=C(CO)NCCCc1ccncc1 527a_100011275580_100000210174 [0,1,0,0,0,1|2,0,0]=4 6735 B14R1.716 O=C(CO)NCCOc1ccccc1 240690a_100000174943_100000210174 [0,1,0,0,0,1|0,0,0]=2 6736 B14R1.716 O=C(CO)NCCOc1ccccc1 527a_100000174943_100000210174 [0,1,0,0,0,1|0,0,0]=2 6737 B14R1.716 O=C(CO)NCCOc1ccccn1 240690a_106741647558_100000210174 [0,1,0,0,0,1|1,0,0]=3 6738 B14R1.716 O=C(CO)NCCOc1ccccn1 527a_106741647558_100000210174 [0,1,0,0,0,1|1,0,0]=3 6739 B14R1.716 O=C(CO)NCCOc1cccnc1 240690a_100000754688_100000210174 [0,1,0,0,0,1|1,0,0]=3 6740 B14R1.716 O=C(CO)NCCOc1cccnc1 527a_100000754688_100000210174 [0,1,0,0,0,1|1,0,0]=3 6741 B14R1.716 O=C(CO)NCCOc1ccncc1 240690a_100025717301_100000210174 [0,1,0,0,0,1|1,0,0]=3 6742 B14R1.716 O=C(CO)NCCOc1ccncc1 527a_100025717301_100000210174 [0,1,0,0,0,1|1,0,0]=3 6743 B14R1.716 O=C(CO)NCCSc1ccccc1 240690a_100000189519_100000210174 [0,1,0,0,0,1|0,1,0]=3 6744 B14R1.716 O=C(CO)NCCSc1ccccc1 527a_100000189519_100000210174 [0,1,0,0,0,1|0,1,0]=3 6745 B14R1.716 O=C(CO)NNCCc1ccccc1 22a_100000740470_100000210174 [0,1,0,0,0,1|2,0,0]=4 6746 B14R1.818 C=C(C)CC(=O)COc1ccccc1 1458a_100000186222_100000748629 [0,1,0,0,0,1|2,0,0]=4 6747 B14R1.818 C=C(F)CC(=O)COc1ccccc1 1458a_100000186222_100009893438 [0,1,0,0,0,1|2,0,0]=4 6748 B14R1.818 CC(=O)CC(=O)CCc1ccccc1 1458a_100000070787_100012361361 [0,1,0,0,0,1|2,0,0]=4 6749 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 1458a_100000037839_200000210301 [0,1,0,0,0,1|1,0,1]=4 6750 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 1458a_100000070787_100000753625 [0,1,0,0,0,1|1,0,1]=4 6751 B14R1.818 CC(=O)NC(=O)COc1ccccc1 7a_100000210340_100000183797 [0,1,0,0,0,1|1,0,1]=4 6752 B14R1.818 CC(=O)NC(C)CCc1ccccc1 11a_100000210798_100015343762 [0,1,0,0,0,1|2,0,0]=4 6753 B14R1.818 CC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100015343762 [0,1,0,0,0,1|2,0,0]=4 6754 B14R1.818 CC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100015343762 [0,1,0,0,0,1|2,0,0]=4 6755 B14R1.818 CC(=O)NC(C)CCc1ccccc1 527a_100000210798_100103153847 [0,1,0,0,0,1|2,0,0]=4 6756 B14R1.818 CC(=O)NC(C)COc1ccccc1 11a_100000746794_100015343762 [0,1,0,0,0,1|1,0,0]=3 6757 B14R1.818 CC(=O)NC(C)COc1ccccc1 1626a_100000746794_100015343762 [0,1,0,0,0,1|1,0,0]=3 6758 B14R1.818 CC(=O)NC(C)COc1ccccc1 240690a_100000746794_100015343762 [0,1,0,0,0,1|1,0,0]=3 6759 B14R1.818 CC(=O)NC(C)COc1ccccc1 527a_100000746794_100103153847 [0,1,0,0,0,1|1,0,0]=3 6760 B14R1.818 CC(O)CC(=O)COc1ccccc1 1458a_100000186222_100011218427 [0,1,0,0,0,1|1,0,1]=4 6761 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000207497_100000747473 [0,1,0,0,0,1|2,0,0]=4 6762 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000739694_100000765856 [0,1,0,0,0,1|2,0,0]=4 6763 B14R1.818 CN(CCc1ccccc1)CC(=O)N 269982a_100000207497_100000187820 [0,1,0,0,0,1|2,0,0]=4 6764 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [0,1,0,0,0,1|1,0,0]=3 6765 B14R1.818 CN(CCc1ccccc1)CC(=O)[O-] 269982a_100000207497_100020667443 [0,1,0,0,0,1|1,0,1]=4 6766 B14R1.818 CN(CCc1ccccn1)CC(=O)O 269956a_100000746989_100015183660 [0,1,0,0,0,1|2,0,0]=4 6767 B14R1.818 CN(CCc1cccnc1)CC(=O)O 269956a_100000746989_200011713674 [0,1,0,0,0,1|2,0,0]=4 6768 B14R1.818 CN(CCc1ccncc1)CC(=O)O 269956a_100000746989_100000723409 [0,1,0,0,0,1|2,0,0]=4 6769 B14R1.818 CN(CSc1ccccc1)CC(=O)N 2230a_100000739694_100011218342 [0,1,0,0,0,1|1,1,0]=4 6770 B14R1.818 CN(CSc1ccccc1)CC(=O)O 269956a_100000746989_100011218342 [0,1,0,0,0,1|0,1,0]=3 6771 B14R1.818 NC(=O)CC(=O)CCc1ccccc1 1458a_100000185753_100000187820 [0,1,0,0,0,1|2,0,0]=4 6772 B14R1.818 NC(=O)CC(=O)CCc1ccccc1 1458a_100134613110_100000765856 [0,1,0,0,0,1|2,0,0]=4 6773 B14R1.818 NC(=O)CC(=O)COc1ccccc1 1458a_100000186222_100000187820 [0,1,0,0,0,1|1,0,0]=3 6774 B14R1.818 NC(=O)CC(=O)COc1ccccn1 1458a_100102699861_100000187820 [0,1,0,0,0,1|2,0,0]=4 6775 B14R1.818 NC(=O)CC(=O)COc1cccnc1 1458a_100015207166_100000187820 [0,1,0,0,0,1|2,0,0]=4 6776 B14R1.818 NC(=O)CC(=O)CSc1ccccc1 1458a_100000211596_100000187820 [0,1,0,0,0,1|1,1,0]=4 6777 B14R1.818 NC(=O)NC(=O)COc1ccccc1 7a_100000210340_100000182717 [0,1,0,0,0,1|1,0,1]=4 6778 B14R1.818 O=C(COc1ccccc1)C[N+](=O)[O-] 1458a_100000186222_100000761209 [0,1,0,0,0,1|1,0,1]=4 6779 B14R1.818 O=C([O-])CC(=O)CCc1ccccc1 1458a_100000185753_100020667443 [0,1,0,0,0,1|1,0,1]=4 6780 B14R1.818 O=C([O-])CC(=O)COc1ccccc1 1458a_100000186222_100020667443 [0,1,0,0,0,1|0,0,1]=3 6781 B14R1.818 O=C([O-])CC(=O)COc1ccccn1 1458a_100102699861_100020667443 [0,1,0,0,0,1|1,0,1]=4 6782 B14R1.818 O=C([O-])CC(=O)COc1cccnc1 1458a_100015207166_100020667443 [0,1,0,0,0,1|1,0,1]=4 6783 B14R1.818 O=C([O-])CC(=O)CSc1ccccc1 1458a_100000211596_100020667443 [0,1,0,0,0,1|0,1,1]=4 6784 B14R1.818 [13CH3]C(=O)CC(=O)OCc1ccccc1 1458a_100000037839_200025704644 [0,1,0,0,0,1|1,0,1]=4 6785 B14R1.3331 CC(C)(O)CCCOc1ccccc1 34a_100000210340_100009888830 [0,1,0,0,0,1|1,0,1]=4 6786 B14R1.3331 CC(C)(O)CCCOc1ccccc1 7a_100000210340_100009888830 [0,1,0,0,0,1|1,0,1]=4 6787 B14R1.3331 CC(C)(O)CCOCc1ccccc1 34a_100000210790_100000702414 [0,1,0,0,0,1|1,0,1]=4 6788 B14R1.3331 CC(C)(O)CCOCc1ccccc1 7a_100000210790_100000702414 [0,1,0,0,0,1|1,0,1]=4 6789 B14R1.3331 CS(=O)(=O)CCCOc1ccccc1 34a_100000210340_100000754308 [0,1,0,0,0,1|1,0,1]=4 6790 B14R1.3331 CS(=O)(=O)CCCOc1ccccc1 7a_100000210340_100000754308 [0,1,0,0,0,1|1,0,1]=4 6791 B14R1.3331 CS(=O)(=O)CCOCc1ccccc1 34a_100000210790_100000731031 [0,1,0,0,0,1|1,0,1]=4 6792 B14R1.3331 CS(=O)(=O)CCOCc1ccccc1 34a_100000211924_100015291786 [0,1,0,0,0,1|1,0,1]=4 6793 B14R1.3331 CS(=O)(=O)CCOCc1ccccc1 7a_100000210790_100000230027 [0,1,0,0,0,1|1,0,1]=4 6794 B14R1.3331 CS(=O)(=O)CCOCc1ccccc1 7a_100000211924_100000211182 [0,1,0,0,0,1|1,0,1]=4 6795 B14R1.3331 CS(=O)(=O)NCCOc1ccccc1 40a_100000174943_100000738038 [0,1,0,0,0,1|1,0,1]=4 6796 B14R1.3331 CS(=O)(=O)NCCOc1ccccc1 7a_100000210340_100000754112 [0,1,0,0,0,1|1,0,1]=4 6797 B14R1.3331 CS(=O)(=O)OCCOc1ccccc1 34a_100000210340_200000036756 [0,1,0,0,0,1|1,0,1]=4 6798 B14R1.3331 CS(=O)(=O)OCCOc1ccccc1 7a_100000210340_200000036756 [0,1,0,0,0,1|1,0,1]=4 6799 B14R1.3331 NS(=O)(=O)CCCOc1ccccc1 34a_100000210340_100000750626 [0,1,0,0,0,1|1,0,1]=4 6800 B14R1.3331 NS(=O)(=O)CCCOc1ccccc1 7a_100000210340_100000750626 [0,1,0,0,0,1|1,0,1]=4 6801 B14R1.3331 NS(=O)(=O)CCOCc1ccccc1 34a_100012334274_100015291786 [0,1,0,0,0,1|1,0,1]=4 6802 B14R1.3331 O=S(=O)([O-])CCCOc1ccccc1 34a_100000210340_100009813499 [0,1,0,0,0,1|1,0,1]=4 6803 B14R1.3331 O=S(=O)([O-])CCOCc1ccccc1 34a_100000210790_100000762736 [0,1,0,0,0,1|1,0,1]=4 6804 B14R1.6449 C=C(C)C(=O)CCOc1ccccc1 1458a_100000185857_100000184471 [0,1,0,0,0,1|2,0,0]=4 6805 B14R1.6449 CC(=O)C(=O)COCc1ccccc1 34a_100000210790_100011261029 [0,1,0,0,0,1|1,0,1]=4 6806 B14R1.6449 CC(=O)C(C)CCCc1ccccc1 1458a_100000070787_200010759516 [0,1,0,0,0,1|2,0,0]=4 6807 B14R1.6449 CC(=O)C(C)COCc1ccccc1 34a_100000032740_100015291786 [0,1,0,0,0,1|1,0,0]=3 6808 B14R1.6449 CC(=O)C(C)COCc1ccccc1 7a_100000032740_100000211182 [0,1,0,0,0,1|1,0,0]=3 6809 B14R1.6449 CC(=O)C(C)COCc1ccccn1 34a_100000032740_100000721315 [0,1,0,0,0,1|2,0,0]=4 6810 B14R1.6449 CC(=O)C(C)COCc1ccccn1 7a_100000032740_100000721315 [0,1,0,0,0,1|2,0,0]=4 6811 B14R1.6449 CC(=O)C(C)COCc1cccnc1 34a_100000032740_100000733263 [0,1,0,0,0,1|2,0,0]=4 6812 B14R1.6449 CC(=O)C(C)COCc1cccnc1 7a_100000032740_100000741622 [0,1,0,0,0,1|2,0,0]=4 6813 B14R1.6449 CC(=O)C(C)COCc1ccncc1 7a_100000032740_100015193705 [0,1,0,0,0,1|2,0,0]=4 6814 B14R1.6449 CC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100009814033 [0,1,0,0,0,1|2,0,0]=4 6815 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 34a_100000212229_100000765856 [0,1,0,0,0,1|2,0,0]=4 6816 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000179758 [0,1,0,0,0,1|2,0,0]=4 6817 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100000765856_100009814033 [0,1,0,0,0,1|2,0,0]=4 6818 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100009814033_100011218657 [0,1,0,0,0,1|2,0,0]=4 6819 B14R1.6449 CC(=O)C(C)SCSc1ccccc1 62a_100009814033_100011218342 [0,1,0,0,0,1|1,1,0]=4 6820 B14R1.6449 CC(=O)C(C)SCSc1ccccc1 62a_100011218342_100009814033 [0,1,0,0,0,1|1,1,0]=4 6821 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 11a_100000693637_100015343762 [0,1,0,0,0,1|2,0,0]=4 6822 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 1626a_100000693637_100015343762 [0,1,0,0,0,1|2,0,0]=4 6823 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 240690a_100000693637_100015343762 [0,1,0,0,0,1|2,0,0]=4 6824 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 527a_100000693637_100103153847 [0,1,0,0,0,1|2,0,0]=4 6825 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 11a_100000184383_100015343762 [0,1,0,0,0,1|1,0,0]=3 6826 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 1626a_100000184383_100015343762 [0,1,0,0,0,1|1,0,0]=3 6827 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 240690a_100000184383_100015343762 [0,1,0,0,0,1|1,0,0]=3 6828 B14R1.6449 CC(=O)N(C)CCOc1ccccc1 527a_100000184383_100103153847 [0,1,0,0,0,1|1,0,0]=3 6829 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,1,0,0,0,1|1,0,0]=3 6830 B14R1.6449 CC(CNCc1ccccn1)C(=O)O 269956a_100000749485_100000721315 [0,1,0,0,0,1|2,0,0]=4 6831 B14R1.6449 CC(CNCc1cccnc1)C(=O)O 269956a_100000749485_100000733263 [0,1,0,0,0,1|2,0,0]=4 6832 B14R1.6449 CC(CNCc1ccncc1)C(=O)O 269956a_100000749485_100015193705 [0,1,0,0,0,1|2,0,0]=4 6833 B14R1.6449 CC(COCc1ccccc1)[N+](=O)[O-] 34a_100000039676_100015291786 [0,1,0,0,0,1|1,0,1]=4 6834 B14R1.6449 CC(COCc1ccccc1)[N+](=O)[O-] 7a_100000039676_100000211182 [0,1,0,0,0,1|1,0,1]=4 6835 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 2230a_100000106460_100000702099 [0,1,0,0,0,1|2,0,0]=4 6836 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 34a_100000106460_100000702099 [0,1,0,0,0,1|2,0,0]=4 6837 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 34a_100000210268_100000702099 [0,1,0,0,0,1|2,0,0]=4 6838 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 7a_100000210268_100000702099 [0,1,0,0,0,1|2,0,0]=4 6839 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000702099_100011218657 [0,1,0,0,0,1|2,0,0]=4 6840 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000765856_100000702099 [0,1,0,0,0,1|2,0,0]=4 6841 B14R1.6449 CC(SCSc1ccccc1)C(=O)N 62a_100000702099_100011218342 [0,1,0,0,0,1|1,1,0]=4 6842 B14R1.6449 CC(SCSc1ccccc1)C(=O)N 62a_100011218342_100000702099 [0,1,0,0,0,1|1,1,0]=4 6843 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 2230a_100000119354_100000765856 [0,1,0,0,0,1|2,0,0]=4 6844 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 34a_100000119354_100000765856 [0,1,0,0,0,1|2,0,0]=4 6845 B14R1.6449 C[C@@H](NCSc1ccccc1)C(=O)N 2230a_100000119354_100011218342 [0,1,0,0,0,1|1,1,0]=4 6846 B14R1.6449 C[C@@H](O)C(=O)CCOc1ccccc1 1458a_100000717761_100000184471 [0,1,0,0,0,1|1,0,1]=4 6847 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 34a_100000731257_100000765856 [0,1,0,0,0,1|2,0,0]=4 6848 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 7a_100000731257_100000765856 [0,1,0,0,0,1|2,0,0]=4 6849 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,1,0,0,0,1|1,0,0]=3 6850 B14R1.6449 C[C@H](NCCc1ccccn1)C(=O)O 269956a_100000743915_100015183660 [0,1,0,0,0,1|2,0,0]=4 6851 B14R1.6449 C[C@H](NCCc1cccnc1)C(=O)O 269956a_100000743915_200011713674 [0,1,0,0,0,1|2,0,0]=4 6852 B14R1.6449 C[C@H](NCCc1ccncc1)C(=O)O 269956a_100000743915_100000723409 [0,1,0,0,0,1|2,0,0]=4 6853 B14R1.6449 C[C@H](NCSc1ccccc1)C(=O)O 269956a_100000743915_100011218342 [0,1,0,0,0,1|0,1,0]=3 6854 B14R1.6449 C[C@H](O)C(=O)CCOc1ccccc1 1458a_217856618621_100000184471 [0,1,0,0,0,1|1,0,1]=4 6855 B14R1.6449 C[C@H](OCCc1ccccc1)C(=O)[O-] 7a_217856618621_100000765856 [0,1,0,0,0,1|1,0,1]=4 6856 B14R1.6449 FC(=C(F)CCOc1ccccc1)F 34a_100000210340_100009813398 [0,1,0,0,0,1|2,0,0]=4 6857 B14R1.6449 FC(=C(F)CCOc1ccccc1)F 7a_100000210340_100009813398 [0,1,0,0,0,1|2,0,0]=4 6858 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 2230a_100000106460_100009813875 [0,1,0,0,0,1|2,0,0]=4 6859 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 34a_100000106460_100009813875 [0,1,0,0,0,1|2,0,0]=4 6860 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 34a_100000210268_100009813875 [0,1,0,0,0,1|2,0,0]=4 6861 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 7a_100000210268_100009813875 [0,1,0,0,0,1|2,0,0]=4 6862 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100000765856_100009813875 [0,1,0,0,0,1|2,0,0]=4 6863 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100009813875_100011218657 [0,1,0,0,0,1|2,0,0]=4 6864 B14R1.6449 NC(=O)C(F)SCSc1ccccc1 62a_100009813875_100011218342 [0,1,0,0,0,1|1,1,0]=4 6865 B14R1.6449 NC(=O)C(F)SCSc1ccccc1 62a_100011218342_100009813875 [0,1,0,0,0,1|1,1,0]=4 6866 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccc1 34a_100000729942_100015291786 [0,1,0,0,0,1|1,0,0]=3 6867 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccn1 34a_100000729942_100000721315 [0,1,0,0,0,1|2,0,0]=4 6868 B14R1.6449 NC(=O)[C@@H](N)COCc1cccnc1 34a_100000729942_100000733263 [0,1,0,0,0,1|2,0,0]=4 6869 B14R1.6449 O=C(CCOc1ccccc1)C(O)O 1458a_100000233687_100000184471 [0,1,0,0,0,1|0,0,2]=4 6870 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 269956a_100000084737_100015291786 [0,1,0,0,0,1|1,0,0]=3 6871 B14R1.6449 O=C(O)C(F)CNCc1ccccn1 269956a_100000084737_100000721315 [0,1,0,0,0,1|2,0,0]=4 6872 B14R1.6449 O=C(O)C(F)CNCc1cccnc1 269956a_100000084737_100000733263 [0,1,0,0,0,1|2,0,0]=4 6873 B14R1.6449 O=C(O)C(F)CNCc1ccncc1 269956a_100000084737_100015193705 [0,1,0,0,0,1|2,0,0]=4 6874 B14R1.6449 O=C([O-])C(F)NCCc1ccccc1 34a_100000106460_100020610796 [0,1,0,0,0,1|1,0,1]=4 6875 B14R1.6449 O=C([O-])C(F)OCCc1ccccc1 34a_100000210268_100020610796 [0,1,0,0,0,1|1,0,1]=4 6876 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100000765856_100020610796 [0,1,0,0,0,1|1,0,1]=4 6877 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100020610796_100011218657 [0,1,0,0,0,1|1,0,1]=4 6878 B14R1.6449 O=C([O-])C(F)SCSc1ccccc1 62a_100011218342_100020610796 [0,1,0,0,0,1|0,1,1]=4 6879 B14R1.6449 O=C([O-])C(F)SCSc1ccccc1 62a_100020610796_100011218342 [0,1,0,0,0,1|0,1,1]=4 6880 B14R1.329 C=C(C)CCOc1cccccc1=O 34a_100000036025_100000730704 [0,1,0,0,0,1|2,0,0]=4 6881 B14R1.329 C=C(C)CCOc1cccccc1=O 7a_100000036025_100000730704 [0,1,0,0,0,1|2,0,0]=4 6882 B14R1.329 CC(=O)CCOc1cccccc1=O 7a_100000036025_100000053229 [0,1,0,0,0,1|1,0,0]=3 6883 B14R1.329 CC(=O)OCOc1cccccc1=O 34a_100000036025_100009813279 [0,1,0,0,0,1|2,0,0]=4 6884 B14R1.329 CC(O)CCOc1cccccc1=O 34a_100000036025_100012276601 [0,1,0,0,0,1|1,0,1]=4 6885 B14R1.329 CC(O)CCOc1cccccc1=O 7a_100000036025_100012276601 [0,1,0,0,0,1|1,0,1]=4 6886 B14R1.329 NC(=O)CCOc1cccccc1=O 34a_100000036025_100000731001 [0,1,0,0,0,1|1,0,0]=3 6887 B14R1.329 NC(=O)CCOc1cccccc1=O 7a_100000036025_100000744528 [0,1,0,0,0,1|1,0,0]=3 6888 B14R1.149 CC(=O)CCN(C)c1cccc(c1)Br 269982a_100000219648_100000053229 [0,2,0,0,0,0|2,0,0]=4 6889 B14R1.149 CC(=O)CCN(C)c1cccc(c1)C 269982a_100000219674_100000053229 [0,2,0,0,0,0|2,0,0]=4 6890 B14R1.149 CC(=O)CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000053229 [0,2,0,0,0,0|2,0,0]=4 6891 B14R1.149 CC(=O)CCN(C)c1cccc(c1)F 269982a_100020633736_100000053229 [0,2,0,0,0,0|2,0,0]=4 6892 B14R1.149 CC(=O)CCN(C)c1cccc(c1)I 269982a_100000221217_100000053229 [0,2,0,0,0,0|2,0,0]=4 6893 B14R1.149 CC(=O)CCN(C)c1cccc(c1)O 269982a_100000756613_100000053229 [0,2,0,0,0,0|2,0,0]=4 6894 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000744528 [0,2,0,0,0,0|2,0,0]=4 6895 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000744528 [0,2,0,0,0,0|2,0,0]=4 6896 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 34a_100000219648_100000731001 [0,2,0,0,0,0|2,0,0]=4 6897 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000744528 [0,2,0,0,0,0|2,0,0]=4 6898 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000744528 [0,2,0,0,0,0|2,0,0]=4 6899 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000731001 [0,2,0,0,0,0|2,0,0]=4 6900 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 2230a_100020633736_100000744528 [0,2,0,0,0,0|2,0,0]=4 6901 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 269982a_100020633736_100000744528 [0,2,0,0,0,0|2,0,0]=4 6902 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 34a_100020633736_100000731001 [0,2,0,0,0,0|2,0,0]=4 6903 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 2230a_100000221217_100000744528 [0,2,0,0,0,0|2,0,0]=4 6904 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 269982a_100000221217_100000744528 [0,2,0,0,0,0|2,0,0]=4 6905 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 34a_100000221217_100000731001 [0,2,0,0,0,0|2,0,0]=4 6906 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 2230a_100000756613_100000744528 [0,2,0,0,0,0|2,0,0]=4 6907 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 269982a_100000756613_100000744528 [0,2,0,0,0,0|2,0,0]=4 6908 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 34a_100000756613_100000731001 [0,2,0,0,0,0|2,0,0]=4 6909 B14R1.149 CN(CCC(=O)O)c1cccc(c1)F 269956a_200011244148_200000210301 [0,2,0,0,0,0|1,0,0]=3 6910 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 2230a_100000219674_100000744528 [0,2,0,0,0,0|2,0,0]=4 6911 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 269982a_100000219674_100000744528 [0,2,0,0,0,0|2,0,0]=4 6912 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 34a_100000219674_100000731001 [0,2,0,0,0,0|2,0,0]=4 6913 B14R1.149 [13CH3]N(CCC(=O)O)c1cccc(c1)F 269956a_200011244148_200025704644 [0,2,0,0,0,0|1,0,0]=3 6914 B14R1.160 CC(=O)CCC(=O)c1ccccc1F 1458a_100000070787_100000086012 [0,2,0,0,0,0|2,0,0]=4 6915 B14R1.160 CC(=O)CCN(C)c1ccccc1Br 269982a_100020606079_100000053229 [0,2,0,0,0,0|2,0,0]=4 6916 B14R1.160 CC(=O)CCN(C)c1ccccc1C 269982a_100000219699_100000053229 [0,2,0,0,0,0|2,0,0]=4 6917 B14R1.160 CC(=O)CCN(C)c1ccccc1Cl 269982a_100000219374_100000053229 [0,2,0,0,0,0|2,0,0]=4 6918 B14R1.160 CC(=O)CCN(C)c1ccccc1F 269982a_100000220357_100000053229 [0,2,0,0,0,0|2,0,0]=4 6919 B14R1.160 CC(=O)CCN(C)c1ccccc1O 269982a_100000033821_100000053229 [0,2,0,0,0,0|2,0,0]=4 6920 B14R1.160 CC(NCC(=O)O)c1ccccc1Cl 269956a_100016091260_100000181259 [0,2,0,0,0,0|2,0,0]=4 6921 B14R1.160 CC(NCC(=O)O)c1ccccc1F 269956a_100016091260_200000741388 [0,2,0,0,0,0|2,0,0]=4 6922 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 2230a_100020606079_100000744528 [0,2,0,0,0,0|2,0,0]=4 6923 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 269982a_100020606079_100000744528 [0,2,0,0,0,0|2,0,0]=4 6924 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 34a_100020606079_100000731001 [0,2,0,0,0,0|2,0,0]=4 6925 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 2230a_100000219374_100000744528 [0,2,0,0,0,0|2,0,0]=4 6926 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 269982a_100000219374_100000744528 [0,2,0,0,0,0|2,0,0]=4 6927 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 269982a_100000231022_200000210301 [0,2,0,0,0,0|2,0,0]=4 6928 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 34a_100000219374_100000731001 [0,2,0,0,0,0|2,0,0]=4 6929 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 34a_100000231022_200000210301 [0,2,0,0,0,0|2,0,0]=4 6930 B14R1.160 CN(CCC(=O)N)c1ccccc1F 2230a_100000220357_100000744528 [0,2,0,0,0,0|2,0,0]=4 6931 B14R1.160 CN(CCC(=O)N)c1ccccc1F 269982a_100000220357_100000744528 [0,2,0,0,0,0|2,0,0]=4 6932 B14R1.160 CN(CCC(=O)N)c1ccccc1F 34a_100000220357_100000731001 [0,2,0,0,0,0|2,0,0]=4 6933 B14R1.160 CN(CCC(=O)N)c1ccccc1O 269982a_100000033821_100000744528 [0,2,0,0,0,0|2,0,0]=4 6934 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 2230a_100000219699_100000744528 [0,2,0,0,0,0|2,0,0]=4 6935 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 269982a_100000219699_100000744528 [0,2,0,0,0,0|2,0,0]=4 6936 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 34a_100000219699_100000731001 [0,2,0,0,0,0|2,0,0]=4 6937 B14R1.160 [13CH3]N(CCC(=O)N)c1ccccc1Cl 269982a_100000231022_200025704644 [0,2,0,0,0,0|2,0,0]=4 6938 B14R1.160 [13CH3]N(CCC(=O)N)c1ccccc1Cl 34a_100000231022_200025704644 [0,2,0,0,0,0|2,0,0]=4 6939 B14R1.163 C#CC(=O)CCC(=O)c1ccccc1 1458a_100000211873_100000750707 [0,2,0,0,0,0|2,0,0]=4 6940 B14R1.163 C#CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211873_100000729684 [0,2,0,0,0,0|2,0,0]=4 6941 B14R1.163 C=CC(=O)CCC(=O)c1ccccc1 1458a_100000185746_100000750707 [0,2,0,0,0,0|2,0,0]=4 6942 B14R1.163 C=CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000185746_100000729684 [0,2,0,0,0,0|2,0,0]=4 6943 B14R1.163 CC(CNC(=O)CO)c1ccccc1 240690a_100000701038_100000210174 [0,2,0,0,0,0|2,0,0]=4 6944 B14R1.163 CC(CNC(=O)CO)c1ccccc1 527a_100000701038_100000210174 [0,2,0,0,0,0|2,0,0]=4 6945 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [0,2,0,0,0,0|2,0,0]=4 6946 B14R1.163 CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210414_100000729684 [0,2,0,0,0,0|2,0,0]=4 6947 B14R1.163 CNC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000737683 [0,2,0,0,0,0|2,0,0]=4 6948 B14R1.163 CNC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000737683 [0,2,0,0,0,0|2,0,0]=4 6949 B14R1.163 CNC(=O)CCN(C)c1ccccc1 34a_100000210012_100012179268 [0,2,0,0,0,0|2,0,0]=4 6950 B14R1.163 COC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000204255 [0,2,0,0,0,0|1,0,0]=3 6951 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000204255 [0,2,0,0,0,0|1,0,0]=3 6952 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100011203847_200000210301 [0,2,0,0,0,0|1,0,0]=3 6953 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100000210012_100000742370 [0,2,0,0,0,0|1,0,0]=3 6954 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100011203847_200000210301 [0,2,0,0,0,0|1,0,0]=3 6955 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 269982a_100011203847_200025704644 [0,2,0,0,0,0|1,0,0]=3 6956 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 34a_100011203847_200025704644 [0,2,0,0,0,0|1,0,0]=3 6957 B14R1.163 COC(=O)CNC(=O)c1ccccc1 188690a_100000185156_100000185807 [0,2,0,0,0,0|2,0,0]=4 6958 B14R1.163 COC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000747449 [0,2,0,0,0,0|2,0,0]=4 6959 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000747449 [0,2,0,0,0,0|2,0,0]=4 6960 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747449 [0,2,0,0,0,0|2,0,0]=4 6961 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747449 [0,2,0,0,0,0|2,0,0]=4 6962 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000747449_100000230085 [0,2,0,0,0,0|2,0,0]=4 6963 B14R1.163 O=C(CO)CCC(=O)c1ccccc1 1458a_100000210174_100000750707 [0,2,0,0,0,0|1,0,0]=3 6964 B14R1.163 O=C(CO)CC[C@@H](O)c1ccccc1 1458a_100000210174_100000729684 [0,2,0,0,0,0|1,0,0]=3 6965 B14R1.163 O=C(CO)COC(=O)c1ccccc1 1458a_100000210174_100000073877 [0,2,0,0,0,0|2,0,0]=4 6966 B14R1.163 O=C(CO)NCC(O)c1ccccc1 240690a_100000210709_100000210174 [0,2,0,0,0,0|2,0,0]=4 6967 B14R1.163 O=C(CO)NCC(O)c1ccccc1 527a_100000210709_100000210174 [0,2,0,0,0,0|2,0,0]=4 6968 B14R1.415 CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000211855 [0,2,0,0,0,0|2,0,0]=4 6969 B14R1.417 CC(c1ccccc1)N(C)CC(=O)O 269956a_100000746989_100000211855 [0,2,0,0,0,0|2,0,0]=4 6970 B14R1.417 C[C@@H](c1ccccc1)N(C)CC(=O)O 269956a_100011939985_200000210301 [0,2,0,0,0,0|2,0,0]=4 6971 B14R1.417 C[C@@H](c1ccccc1)N([13CH3])CC(=O)O 269956a_100011939985_200025704644 [0,2,0,0,0,0|2,0,0]=4 6972 B14R1.540 C=CC(NCC(=O)O)c1ccccc1 269956a_100016091260_200000085779 [0,2,0,0,0,0|2,0,0]=4 6973 B14R1.540 CCN(CCC(=O)C)c1ccccc1 269982a_100000210013_100000053229 [0,2,0,0,0,0|2,0,0]=4 6974 B14R1.540 CCN(CCC(=O)N)c1ccccc1 2230a_100000210013_100000744528 [0,2,0,0,0,0|2,0,0]=4 6975 B14R1.540 CCN(CCC(=O)N)c1ccccc1 269982a_100000210013_100000744528 [0,2,0,0,0,0|2,0,0]=4 6976 B14R1.540 CCN(CCC(=O)N)c1ccccc1 34a_100000210013_100000731001 [0,2,0,0,0,0|2,0,0]=4 6977 B14R1.540 CN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200000210301 [0,2,0,0,0,0|1,0,0]=3 6978 B14R1.540 [13CH3]N[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200025704644 [0,2,0,0,0,0|1,0,0]=3 6979 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000070787_100000701375 [0,2,0,0,0,0|2,0,0]=4 6980 B14R1.678 CC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000070787_100000211231 [0,2,0,0,0,0|2,0,0]=4 6981 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000053229 [0,2,0,0,0,0|2,0,0]=4 6982 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)C 269982a_100000219977_100000053229 [0,2,0,0,0,0|2,0,0]=4 6983 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000053229 [0,2,0,0,0,0|2,0,0]=4 6984 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)F 269982a_100000219829_100000053229 [0,2,0,0,0,0|2,0,0]=4 6985 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)I 269982a_100000743151_100000053229 [0,2,0,0,0,0|2,0,0]=4 6986 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)O 269982a_100000182112_100000053229 [0,2,0,0,0,0|2,0,0]=4 6987 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Br 269956a_100016091260_100000755118 [0,2,0,0,0,0|2,0,0]=4 6988 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Cl 269956a_100016091260_100000684792 [0,2,0,0,0,0|2,0,0]=4 6989 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)F 269956a_100016091260_100000743420 [0,2,0,0,0,0|2,0,0]=4 6990 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000744528 [0,2,0,0,0,0|2,0,0]=4 6991 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000744528 [0,2,0,0,0,0|2,0,0]=4 6992 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000731001 [0,2,0,0,0,0|2,0,0]=4 6993 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000744528 [0,2,0,0,0,0|2,0,0]=4 6994 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000744528 [0,2,0,0,0,0|2,0,0]=4 6995 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000731001 [0,2,0,0,0,0|2,0,0]=4 6996 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000744528 [0,2,0,0,0,0|2,0,0]=4 6997 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 2230a_100000231051_200000210301 [0,2,0,0,0,0|2,0,0]=4 6998 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000744528 [0,2,0,0,0,0|2,0,0]=4 6999 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 269982a_100000231051_200000210301 [0,2,0,0,0,0|2,0,0]=4 7000 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 34a_100000219829_100000731001 [0,2,0,0,0,0|2,0,0]=4 7001 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 34a_100000231051_200000210301 [0,2,0,0,0,0|2,0,0]=4 7002 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 7a_100000231051_200000210301 [0,2,0,0,0,0|2,0,0]=4 7003 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000744528 [0,2,0,0,0,0|2,0,0]=4 7004 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000744528 [0,2,0,0,0,0|2,0,0]=4 7005 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 34a_100000743151_100000731001 [0,2,0,0,0,0|2,0,0]=4 7006 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000744528 [0,2,0,0,0,0|2,0,0]=4 7007 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)O 34a_100000182112_100000731001 [0,2,0,0,0,0|2,0,0]=4 7008 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)O 269956a_100016091260_100011261388 [0,2,0,0,0,0|2,0,0]=4 7009 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 2230a_100000219977_100000744528 [0,2,0,0,0,0|2,0,0]=4 7010 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 269982a_100000219977_100000744528 [0,2,0,0,0,0|2,0,0]=4 7011 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 34a_100000219977_100000731001 [0,2,0,0,0,0|2,0,0]=4 7012 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)[O-] 269956a_100025773522_200000210301 [0,2,0,0,0,0|1,0,1]=4 7013 B14R1.678 Cc1ccc(cc1)N([13CH3])CCC(=O)[O-] 269956a_100025773522_200025704644 [0,2,0,0,0,0|1,0,1]=4 7014 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 2230a_100000231051_200025704644 [0,2,0,0,0,0|2,0,0]=4 7015 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 269982a_100000231051_200025704644 [0,2,0,0,0,0|2,0,0]=4 7016 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 34a_100000231051_200025704644 [0,2,0,0,0,0|2,0,0]=4 7017 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 7a_100000231051_200025704644 [0,2,0,0,0,0|2,0,0]=4 7018 B14R1.813 CC(=O)CCS(=O)(=O)c1ccccc1 1458a_100000070787_100000229977 [0,2,0,0,0,0|1,1,0]=4 7019 B14R1.813 CC(=O)CCS(=O)(=O)c1ccccc1 1458a_100000183054_200000210301 [0,2,0,0,0,0|1,1,0]=4 7020 B14R1.813 CC(C)(NCC(=O)O)c1ccccc1 269956a_100016091260_100000034625 [0,2,0,0,0,0|2,0,0]=4 7021 B14R1.813 O=C(O)CNC(F)(F)c1ccccc1 269956a_100016091260_100000036403 [0,2,0,0,0,0|2,0,0]=4 7022 B14R1.813 [13CH3]C(=O)CCS(=O)(=O)c1ccccc1 1458a_100000183054_200025704644 [0,2,0,0,0,0|1,1,0]=4 7023 B14R1.76 C#Cc1cccc(c1)NCCC(=O)N 2230a_100000735509_100000744528 [0,2,0,0,0,0|2,0,0]=4 7024 B14R1.76 C#Cc1cccc(c1)NCCC(=O)N 34a_100000735509_100000731001 [0,2,0,0,0,0|2,0,0]=4 7025 B14R1.76 C#Cc1cccc(c1)OCCC(=C)C 34a_100011216014_100000730704 [0,2,0,0,0,0|2,0,0]=4 7026 B14R1.76 C#Cc1cccc(c1)OCCC(=C)C 7a_100011216014_100000730704 [0,2,0,0,0,0|2,0,0]=4 7027 B14R1.76 C#Cc1cccc(c1)OCCC(=O)C 7a_100011216014_100000053229 [0,2,0,0,0,0|1,0,0]=3 7028 B14R1.76 C#Cc1cccc(c1)OCCC(=O)N 34a_100011216014_100000731001 [0,2,0,0,0,0|1,0,0]=3 7029 B14R1.76 C#Cc1cccc(c1)OCCC(=O)N 7a_100011216014_100000744528 [0,2,0,0,0,0|1,0,0]=3 7030 B14R1.76 C#Cc1cccc(c1)OCCC(C)O 34a_100011216014_100012276601 [0,2,0,0,0,0|1,0,1]=4 7031 B14R1.76 C#Cc1cccc(c1)OCCC(C)O 7a_100011216014_100012276601 [0,2,0,0,0,0|1,0,1]=4 7032 B14R1.76 C#Cc1cccc(c1)OCOC(=O)C 34a_100011216014_100009813279 [0,2,0,0,0,0|2,0,0]=4 7033 B14R1.76 C=C(C)CCOc1cccc(c1)C#N 34a_100000184713_100000730704 [0,2,0,0,0,0|2,0,0]=4 7034 B14R1.76 C=C(C)CCOc1cccc(c1)C#N 7a_100000184713_100000730704 [0,2,0,0,0,0|2,0,0]=4 7035 B14R1.76 C=C(C)CCOc1cccc(c1)CBr 34a_100011660834_100000730704 [0,2,0,0,0,0|2,0,0]=4 7036 B14R1.76 C=C(C)CCOc1cccc(c1)CBr 7a_100011660834_100000730704 [0,2,0,0,0,0|2,0,0]=4 7037 B14R1.76 C=C(C)CCOc1cccc(c1)CC 34a_100000211550_100000730704 [0,2,0,0,0,0|2,0,0]=4 7038 B14R1.76 C=C(C)CCOc1cccc(c1)CC 7a_100000211550_100000730704 [0,2,0,0,0,0|2,0,0]=4 7039 B14R1.76 C=C(C)CCOc1cccc(c1)CCl 34a_100000084143_100000730704 [0,2,0,0,0,0|2,0,0]=4 7040 B14R1.76 C=C(C)CCOc1cccc(c1)CCl 7a_100000084143_100000730704 [0,2,0,0,0,0|2,0,0]=4 7041 B14R1.76 C=C(C)CCOc1cccc(c1)CN 34a_100000743036_100000730704 [0,2,0,0,0,0|2,0,0]=4 7042 B14R1.76 C=C(C)CCOc1cccc(c1)CO 34a_100011214949_100000730704 [0,2,0,0,0,0|2,0,0]=4 7043 B14R1.76 C=C(C)CCOc1cccc(c1)CO 7a_100011214949_100000730704 [0,2,0,0,0,0|2,0,0]=4 7044 B14R1.76 C=C(C)CCOc1cccc(c1)NC 34a_100000756613_100000730704 [0,2,0,0,0,0|2,0,0]=4 7045 B14R1.76 C=C(C)CCOc1cccc(c1)NC 7a_100000756613_100000730704 [0,2,0,0,0,0|2,0,0]=4 7046 B14R1.76 C=C(C)CCOc1cccc(c1)OC 34a_100000211255_100000730704 [0,2,0,0,0,0|2,0,0]=4 7047 B14R1.76 C=C(C)CCOc1cccc(c1)OC 7a_100000211255_100000730704 [0,2,0,0,0,0|2,0,0]=4 7048 B14R1.76 C=C(C)CCOc1cccc(c1)SC 34a_100011265683_100000730704 [0,2,0,0,0,0|2,0,0]=4 7049 B14R1.76 C=C(C)CCOc1cccc(c1)SC 7a_100011265683_100000730704 [0,2,0,0,0,0|2,0,0]=4 7050 B14R1.76 C=Cc1cccc(c1)NCCC(=O)N 34a_100011827668_100000731001 [0,2,0,0,0,0|2,0,0]=4 7051 B14R1.76 C=Cc1cccc(c1)OCCC(=C)C 34a_100011309434_100000730704 [0,2,0,0,0,0|2,0,0]=4 7052 B14R1.76 C=Cc1cccc(c1)OCCC(=C)C 7a_100011309434_100000730704 [0,2,0,0,0,0|2,0,0]=4 7053 B14R1.76 C=Cc1cccc(c1)OCCC(=O)C 7a_100011309434_100000053229 [0,2,0,0,0,0|1,0,0]=3 7054 B14R1.76 C=Cc1cccc(c1)OCCC(=O)N 34a_100011309434_100000731001 [0,2,0,0,0,0|1,0,0]=3 7055 B14R1.76 C=Cc1cccc(c1)OCCC(=O)N 7a_100011309434_100000744528 [0,2,0,0,0,0|1,0,0]=3 7056 B14R1.76 C=Cc1cccc(c1)OCCC(C)O 34a_100011309434_100012276601 [0,2,0,0,0,0|1,0,1]=4 7057 B14R1.76 C=Cc1cccc(c1)OCCC(C)O 7a_100011309434_100012276601 [0,2,0,0,0,0|1,0,1]=4 7058 B14R1.76 C=Cc1cccc(c1)OCOC(=O)C 34a_100011309434_100009813279 [0,2,0,0,0,0|2,0,0]=4 7059 B14R1.76 C=Cc1cccc(c1)SCCC(=O)C 62a_100000053229_100011215241 [0,2,0,0,0,0|1,1,0]=4 7060 B14R1.76 C=Cc1cccc(c1)SCCC(=O)C 62a_100011215241_100000053229 [0,2,0,0,0,0|1,1,0]=4 7061 B14R1.76 C=Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215241 [0,2,0,0,0,0|1,1,0]=4 7062 B14R1.76 C=Cc1cccc(c1)SCCC(=O)N 62a_100011215241_100000744528 [0,2,0,0,0,0|1,1,0]=4 7063 B14R1.76 CC(=O)CCNc1cccc(c1)C#N 7a_100000210922_100000053229 [0,2,0,0,0,0|2,0,0]=4 7064 B14R1.76 CC(=O)CCNc1cccc(c1)CF 7a_100000126320_100000053229 [0,2,0,0,0,0|2,0,0]=4 7065 B14R1.76 CC(=O)CCOc1cccc(c1)C#N 1458a_100000070787_100000742621 [0,2,0,0,0,0|1,0,0]=3 7066 B14R1.76 CC(=O)CCOc1cccc(c1)C#N 1458a_200011209032_200000210301 [0,2,0,0,0,0|1,0,0]=3 7067 B14R1.76 CC(=O)CCOc1cccc(c1)C#N 7a_100000184713_100000053229 [0,2,0,0,0,0|1,0,0]=3 7068 B14R1.76 CC(=O)CCOc1cccc(c1)CBr 7a_100011660834_100000053229 [0,2,0,0,0,0|1,0,0]=3 7069 B14R1.76 CC(=O)CCOc1cccc(c1)CCl 7a_100000084143_100000053229 [0,2,0,0,0,0|1,0,0]=3 7070 B14R1.76 CC(=O)CCOc1cccc(c1)CO 7a_100011214949_100000053229 [0,2,0,0,0,0|1,0,0]=3 7071 B14R1.76 CC(=O)CCOc1ccnc(c1)C#N 7a_100011777083_100000053229 [0,2,0,0,0,0|2,0,0]=4 7072 B14R1.76 CC(=O)CCOc1cncc(c1)C#N 7a_100012002025_100000053229 [0,2,0,0,0,0|2,0,0]=4 7073 B14R1.76 CC(=O)CCSc1cccc(c1)C#N 62a_100000053229_100000189340 [0,2,0,0,0,0|1,1,0]=4 7074 B14R1.76 CC(=O)CCSc1cccc(c1)C=O 62a_100000014684_100000053229 [0,2,0,0,0,0|1,1,0]=4 7075 B14R1.76 CC(=O)CCSc1cccc(c1)C=O 62a_100000053229_100000014684 [0,2,0,0,0,0|1,1,0]=4 7076 B14R1.76 CC(=O)CCSc1cccc(c1)CF 62a_100000053229_100010878472 [0,2,0,0,0,0|1,1,0]=4 7077 B14R1.76 CC(=O)CCSc1cccc(c1)CF 62a_100010878472_100000053229 [0,2,0,0,0,0|1,1,0]=4 7078 B14R1.76 CC(=O)CCSc1cccc(c1)CN 62a_100000053229_100000106179 [0,2,0,0,0,0|1,1,0]=4 7079 B14R1.76 CC(=O)CCSc1cccc(c1)CN 62a_100000106179_100000053229 [0,2,0,0,0,0|1,1,0]=4 7080 B14R1.76 CC(=O)CCSc1cccc(c1)CO 62a_100000053229_100000687537 [0,2,0,0,0,0|1,1,0]=4 7081 B14R1.76 CC(=O)CCSc1cccc(c1)CO 62a_100000687537_100000053229 [0,2,0,0,0,0|1,1,0]=4 7082 B14R1.76 CC(=O)CCSc1cccc(c1)NN 62a_100000053229_100000217339 [0,2,0,0,0,0|1,1,0]=4 7083 B14R1.76 CC(=O)CCSc1cccc(c1)NN 62a_100000217339_100000053229 [0,2,0,0,0,0|1,1,0]=4 7084 B14R1.76 CC(=O)OCOc1cccc(c1)C#N 34a_100000184713_100009813279 [0,2,0,0,0,0|2,0,0]=4 7085 B14R1.76 CC(=O)OCOc1cccc(c1)CBr 34a_100011660834_100009813279 [0,2,0,0,0,0|2,0,0]=4 7086 B14R1.76 CC(=O)OCOc1cccc(c1)CCl 34a_100000084143_100009813279 [0,2,0,0,0,0|2,0,0]=4 7087 B14R1.76 CC(=O)OCOc1cccc(c1)CN 34a_100000743036_100009813279 [0,2,0,0,0,0|2,0,0]=4 7088 B14R1.76 CC(=O)OCOc1cccc(c1)CO 34a_100011214949_100009813279 [0,2,0,0,0,0|2,0,0]=4 7089 B14R1.76 CC(O)CCOc1cccc(c1)C#N 34a_100000184713_100012276601 [0,2,0,0,0,0|1,0,1]=4 7090 B14R1.76 CC(O)CCOc1cccc(c1)C#N 7a_100000184713_100012276601 [0,2,0,0,0,0|1,0,1]=4 7091 B14R1.76 CC(O)CCOc1cccc(c1)CBr 34a_100011660834_100012276601 [0,2,0,0,0,0|1,0,1]=4 7092 B14R1.76 CC(O)CCOc1cccc(c1)CBr 7a_100011660834_100012276601 [0,2,0,0,0,0|1,0,1]=4 7093 B14R1.76 CC(O)CCOc1cccc(c1)CCl 34a_100000084143_100012276601 [0,2,0,0,0,0|1,0,1]=4 7094 B14R1.76 CC(O)CCOc1cccc(c1)CCl 7a_100000084143_100012276601 [0,2,0,0,0,0|1,0,1]=4 7095 B14R1.76 CC(O)CCOc1cccc(c1)CN 34a_100000743036_100012276601 [0,2,0,0,0,0|1,0,1]=4 7096 B14R1.76 CC(O)CCOc1cccc(c1)CO 34a_100011214949_100012276601 [0,2,0,0,0,0|1,0,1]=4 7097 B14R1.76 CC(O)CCOc1cccc(c1)CO 7a_100011214949_100012276601 [0,2,0,0,0,0|1,0,1]=4 7098 B14R1.76 CC[n+]1cccc(c1)OCCC(=O)C 7a_100000731997_100000053229 [0,2,0,0,0,0|2,0,0]=4 7099 B14R1.76 CC[n+]1cccc(c1)OCCC(=O)N 34a_100000731997_100000731001 [0,2,0,0,0,0|2,0,0]=4 7100 B14R1.76 CC[n+]1cccc(c1)OCCC(=O)N 7a_100000731997_100000744528 [0,2,0,0,0,0|2,0,0]=4 7101 B14R1.76 CCc1cccc(c1)NCCC(=O)C 7a_100000211250_100000053229 [0,2,0,0,0,0|2,0,0]=4 7102 B14R1.76 CCc1cccc(c1)NCCC(=O)N 2230a_100000211250_100000744528 [0,2,0,0,0,0|2,0,0]=4 7103 B14R1.76 CCc1cccc(c1)NCCC(=O)N 34a_100000211250_100000731001 [0,2,0,0,0,0|2,0,0]=4 7104 B14R1.76 CCc1cccc(c1)NCCC(=O)N 7a_100000211250_100000744528 [0,2,0,0,0,0|2,0,0]=4 7105 B14R1.76 CCc1cccc(c1)OCCC(=O)C 1458a_100000070787_100000199093 [0,2,0,0,0,0|1,0,0]=3 7106 B14R1.76 CCc1cccc(c1)OCCC(=O)C 7a_100000211550_100000053229 [0,2,0,0,0,0|1,0,0]=3 7107 B14R1.76 CCc1cccc(c1)OCCC(=O)N 34a_100000211550_100000731001 [0,2,0,0,0,0|1,0,0]=3 7108 B14R1.76 CCc1cccc(c1)OCCC(=O)N 7a_100000211550_100000744528 [0,2,0,0,0,0|1,0,0]=3 7109 B14R1.76 CCc1cccc(c1)OCCC(C)O 34a_100000211550_100012276601 [0,2,0,0,0,0|1,0,1]=4 7110 B14R1.76 CCc1cccc(c1)OCCC(C)O 7a_100000211550_100012276601 [0,2,0,0,0,0|1,0,1]=4 7111 B14R1.76 CCc1cccc(c1)OCOC(=O)C 34a_100000211550_100009813279 [0,2,0,0,0,0|2,0,0]=4 7112 B14R1.76 CCc1cccc(c1)SCCC(=O)C 62a_100000053229_100011263222 [0,2,0,0,0,0|1,1,0]=4 7113 B14R1.76 CCc1cccc(c1)SCCC(=O)C 62a_100011263222_100000053229 [0,2,0,0,0,0|1,1,0]=4 7114 B14R1.76 CCc1cccc(c1)SCCC(=O)N 62a_100000744528_100011263222 [0,2,0,0,0,0|1,1,0]=4 7115 B14R1.76 CCc1cccc(c1)SCCC(=O)N 62a_100011263222_100000744528 [0,2,0,0,0,0|1,1,0]=4 7116 B14R1.76 CCc1cncc(c1)OCCC(=O)C 7a_200009861530_100000053229 [0,2,0,0,0,0|2,0,0]=4 7117 B14R1.76 CCc1cncc(c1)OCCC(=O)N 34a_200009861530_100000731001 [0,2,0,0,0,0|2,0,0]=4 7118 B14R1.76 CCc1cncc(c1)OCCC(=O)N 7a_200009861530_100000744528 [0,2,0,0,0,0|2,0,0]=4 7119 B14R1.76 CNc1cccc(c1)OCCC(=O)C 7a_100000756613_100000053229 [0,2,0,0,0,0|1,0,0]=3 7120 B14R1.76 CNc1cccc(c1)OCCC(=O)N 34a_100000756613_100000731001 [0,2,0,0,0,0|1,0,0]=3 7121 B14R1.76 CNc1cccc(c1)OCCC(=O)N 7a_100000756613_100000744528 [0,2,0,0,0,0|1,0,0]=3 7122 B14R1.76 CNc1cccc(c1)OCCC(C)O 34a_100000756613_100012276601 [0,2,0,0,0,0|1,0,1]=4 7123 B14R1.76 CNc1cccc(c1)OCCC(C)O 7a_100000756613_100012276601 [0,2,0,0,0,0|1,0,1]=4 7124 B14R1.76 CNc1cccc(c1)OCOC(=O)C 34a_100000756613_100009813279 [0,2,0,0,0,0|2,0,0]=4 7125 B14R1.76 CNc1cccc(c1)SCCC(=O)C 62a_100000053229_100000219648 [0,2,0,0,0,0|1,1,0]=4 7126 B14R1.76 CNc1cccc(c1)SCCC(=O)C 62a_100000219648_100000053229 [0,2,0,0,0,0|1,1,0]=4 7127 B14R1.76 CNc1cccc(c1)SCCC(=O)N 62a_100000219648_100000744528 [0,2,0,0,0,0|1,1,0]=4 7128 B14R1.76 CNc1cccc(c1)SCCC(=O)N 62a_100000744528_100000219648 [0,2,0,0,0,0|1,1,0]=4 7129 B14R1.76 COc1cc(ccn1)OCCC(=O)N 34a_100012181050_100000731001 [0,2,0,0,0,0|2,0,0]=4 7130 B14R1.76 COc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000211672 [0,2,0,0,0,0|2,0,0]=4 7131 B14R1.76 COc1cccc(c1)NCCC(=O)N 34a_100000210024_100000731001 [0,2,0,0,0,0|2,0,0]=4 7132 B14R1.76 COc1cccc(c1)OCCC(=O)C 1458a_100000070787_100000691273 [0,2,0,0,0,0|1,0,0]=3 7133 B14R1.76 COc1cccc(c1)OCCC(=O)C 1458a_100000188295_200000210301 [0,2,0,0,0,0|1,0,0]=3 7134 B14R1.76 COc1cccc(c1)OCCC(=O)C 7a_100000211255_100000053229 [0,2,0,0,0,0|1,0,0]=3 7135 B14R1.76 COc1cccc(c1)OCCC(=O)N 34a_100000211255_100000731001 [0,2,0,0,0,0|1,0,0]=3 7136 B14R1.76 COc1cccc(c1)OCCC(=O)N 7a_100000211255_100000744528 [0,2,0,0,0,0|1,0,0]=3 7137 B14R1.76 COc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000188295_200025704644 [0,2,0,0,0,0|1,0,0]=3 7138 B14R1.76 COc1cccc(c1)OCCC(C)O 34a_100000211255_100012276601 [0,2,0,0,0,0|1,0,1]=4 7139 B14R1.76 COc1cccc(c1)OCCC(C)O 7a_100000211255_100012276601 [0,2,0,0,0,0|1,0,1]=4 7140 B14R1.76 COc1cccc(c1)OCOC(=O)C 34a_100000211255_100009813279 [0,2,0,0,0,0|2,0,0]=4 7141 B14R1.76 COc1cccc(c1)SCCC(=O)C 62a_100000053229_100000170001 [0,2,0,0,0,0|1,1,0]=4 7142 B14R1.76 COc1cccc(c1)SCCC(=O)N 62a_100000744528_100000170001 [0,2,0,0,0,0|1,1,0]=4 7143 B14R1.76 COc1cncc(c1)OCCC(=O)C 7a_100000084572_100000053229 [0,2,0,0,0,0|2,0,0]=4 7144 B14R1.76 COc1cncc(c1)OCCC(=O)N 34a_100000084572_100000731001 [0,2,0,0,0,0|2,0,0]=4 7145 B14R1.76 COc1cncc(c1)OCCC(=O)N 7a_100000084572_100000744528 [0,2,0,0,0,0|2,0,0]=4 7146 B14R1.76 CSc1cccc(c1)NCCC(=O)N 2230a_100000210049_100000744528 [0,2,0,0,0,0|2,0,0]=4 7147 B14R1.76 CSc1cccc(c1)NCCC(=O)N 34a_100000210049_100000731001 [0,2,0,0,0,0|2,0,0]=4 7148 B14R1.76 CSc1cccc(c1)OCCC(=O)C 7a_100011265683_100000053229 [0,2,0,0,0,0|1,0,0]=3 7149 B14R1.76 CSc1cccc(c1)OCCC(=O)N 34a_100011265683_100000731001 [0,2,0,0,0,0|1,0,0]=3 7150 B14R1.76 CSc1cccc(c1)OCCC(=O)N 7a_100011265683_100000744528 [0,2,0,0,0,0|1,0,0]=3 7151 B14R1.76 CSc1cccc(c1)OCCC(C)O 34a_100011265683_100012276601 [0,2,0,0,0,0|1,0,1]=4 7152 B14R1.76 CSc1cccc(c1)OCCC(C)O 7a_100011265683_100012276601 [0,2,0,0,0,0|1,0,1]=4 7153 B14R1.76 CSc1cccc(c1)OCOC(=O)C 34a_100011265683_100009813279 [0,2,0,0,0,0|2,0,0]=4 7154 B14R1.76 CSc1cccc(c1)SCCC(=O)C 62a_100000053229_100011215954 [0,2,0,0,0,0|1,1,0]=4 7155 B14R1.76 CSc1cccc(c1)SCCC(=O)C 62a_100011215954_100000053229 [0,2,0,0,0,0|1,1,0]=4 7156 B14R1.76 CSc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215954 [0,2,0,0,0,0|1,1,0]=4 7157 B14R1.76 CSc1cccc(c1)SCCC(=O)N 62a_100011215954_100000744528 [0,2,0,0,0,0|1,1,0]=4 7158 B14R1.76 N#Cc1cc(ccn1)OCCC(=O)N 34a_100011777083_100000731001 [0,2,0,0,0,0|2,0,0]=4 7159 B14R1.76 N#Cc1cc(ccn1)OCCC(=O)N 7a_100011777083_100000744528 [0,2,0,0,0,0|2,0,0]=4 7160 B14R1.76 N#Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000233786 [0,2,0,0,0,0|2,0,0]=4 7161 B14R1.76 N#Cc1cccc(c1)NCCC(=O)N 34a_100000210922_100000731001 [0,2,0,0,0,0|2,0,0]=4 7162 B14R1.76 N#Cc1cccc(c1)NCCC(=O)N 7a_100000210922_100000744528 [0,2,0,0,0,0|2,0,0]=4 7163 B14R1.76 N#Cc1cccc(c1)OCCC(=O)N 34a_100000184713_100000731001 [0,2,0,0,0,0|1,0,0]=3 7164 B14R1.76 N#Cc1cccc(c1)OCCC(=O)N 7a_100000184713_100000744528 [0,2,0,0,0,0|1,0,0]=3 7165 B14R1.76 N#Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100000189340 [0,2,0,0,0,0|1,1,0]=4 7166 B14R1.76 N#Cc1cncc(c1)OCCC(=O)N 34a_100012002025_100000731001 [0,2,0,0,0,0|2,0,0]=4 7167 B14R1.76 N#Cc1cncc(c1)OCCC(=O)N 7a_100012002025_100000744528 [0,2,0,0,0,0|2,0,0]=4 7168 B14R1.76 NC(=O)CCNc1cccc(c1)CF 2230a_100000126320_100000744528 [0,2,0,0,0,0|2,0,0]=4 7169 B14R1.76 NC(=O)CCNc1cccc(c1)CF 34a_100000126320_100000731001 [0,2,0,0,0,0|2,0,0]=4 7170 B14R1.76 NC(=O)CCNc1cccc(c1)CF 7a_100000126320_100000744528 [0,2,0,0,0,0|2,0,0]=4 7171 B14R1.76 NC(=O)CCNc1cccc(c1)CO 2230a_100000211919_100000744528 [0,2,0,0,0,0|2,0,0]=4 7172 B14R1.76 NC(=O)CCNc1cccc(c1)CO 34a_100000211919_100000731001 [0,2,0,0,0,0|2,0,0]=4 7173 B14R1.76 NC(=O)CCOc1cccc(c1)CBr 34a_100011660834_100000731001 [0,2,0,0,0,0|1,0,0]=3 7174 B14R1.76 NC(=O)CCOc1cccc(c1)CBr 7a_100011660834_100000744528 [0,2,0,0,0,0|1,0,0]=3 7175 B14R1.76 NC(=O)CCOc1cccc(c1)CCl 34a_100000084143_100000731001 [0,2,0,0,0,0|1,0,0]=3 7176 B14R1.76 NC(=O)CCOc1cccc(c1)CCl 7a_100000084143_100000744528 [0,2,0,0,0,0|1,0,0]=3 7177 B14R1.76 NC(=O)CCOc1cccc(c1)CO 34a_100011214949_100000731001 [0,2,0,0,0,0|1,0,0]=3 7178 B14R1.76 NC(=O)CCOc1cccc(c1)CO 7a_100011214949_100000744528 [0,2,0,0,0,0|1,0,0]=3 7179 B14R1.76 NC(=O)CCSc1cccc(c1)C=O 62a_100000014684_100000744528 [0,2,0,0,0,0|1,1,0]=4 7180 B14R1.76 NC(=O)CCSc1cccc(c1)C=O 62a_100000744528_100000014684 [0,2,0,0,0,0|1,1,0]=4 7181 B14R1.76 NC(=O)CCSc1cccc(c1)CF 62a_100000744528_100010878472 [0,2,0,0,0,0|1,1,0]=4 7182 B14R1.76 NC(=O)CCSc1cccc(c1)CF 62a_100010878472_100000744528 [0,2,0,0,0,0|1,1,0]=4 7183 B14R1.76 NC(=O)CCSc1cccc(c1)CO 62a_100000687537_100000744528 [0,2,0,0,0,0|1,1,0]=4 7184 B14R1.76 NC(=O)CCSc1cccc(c1)CO 62a_100000744528_100000687537 [0,2,0,0,0,0|1,1,0]=4 7185 B14R1.76 NCc1cccc(c1)OCCC(=O)N 34a_100000743036_100000731001 [0,2,0,0,0,0|1,0,0]=3 7186 B14R1.76 NCc1cccc(c1)SCCC(=O)N 62a_100000106179_100000744528 [0,2,0,0,0,0|1,1,0]=4 7187 B14R1.76 NCc1cccc(c1)SCCC(=O)N 62a_100000744528_100000106179 [0,2,0,0,0,0|1,1,0]=4 7188 B14R1.76 NCc1ccnc(c1)OCCC(=O)N 34a_100000748557_100000731001 [0,2,0,0,0,0|2,0,0]=4 7189 B14R1.76 NNc1cccc(c1)SCCC(=O)N 62a_100000217339_100000744528 [0,2,0,0,0,0|1,1,0]=4 7190 B14R1.76 NNc1cccc(c1)SCCC(=O)N 62a_100000744528_100000217339 [0,2,0,0,0,0|1,1,0]=4 7191 B14R1.76 O=C(O)CNCc1cccc(c1)CO 269956a_100016091260_100010188025 [0,2,0,0,0,0|2,0,0]=4 7192 B14R1.76 O=Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100009816774 [0,2,0,0,0,0|2,0,0]=4 7193 B14R1.76 [13CH3]C(=O)CCOc1cccc(c1)C#N 1458a_200011209032_200025704644 [0,2,0,0,0,0|1,0,0]=3 7194 B14R1.147 CC(C)(O)CCOc1cccc(c1)Br 34a_100000210342_100000702414 [0,2,0,0,0,0|1,0,1]=4 7195 B14R1.147 CC(C)(O)CCOc1cccc(c1)Br 7a_100000210342_100000702414 [0,2,0,0,0,0|1,0,1]=4 7196 B14R1.147 CC(C)(O)CCOc1cccc(c1)Cl 34a_100000210295_100000702414 [0,2,0,0,0,0|1,0,1]=4 7197 B14R1.147 CC(C)(O)CCOc1cccc(c1)Cl 7a_100000210295_100000702414 [0,2,0,0,0,0|1,0,1]=4 7198 B14R1.147 CC(C)(O)CCOc1cccc(c1)F 34a_100000210426_100000702414 [0,2,0,0,0,0|1,0,1]=4 7199 B14R1.147 CC(C)(O)CCOc1cccc(c1)F 7a_100000210426_100000702414 [0,2,0,0,0,0|1,0,1]=4 7200 B14R1.147 CC(C)(O)CCOc1cccc(c1)I 34a_100000211634_100000702414 [0,2,0,0,0,0|1,0,1]=4 7201 B14R1.147 CC(C)(O)CCOc1cccc(c1)I 7a_100000211634_100000702414 [0,2,0,0,0,0|1,0,1]=4 7202 B14R1.147 CC(C)(O)CCOc1cccc(c1)N 34a_100000210217_100000702414 [0,2,0,0,0,0|1,0,1]=4 7203 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)Br 34a_100000210342_100000731031 [0,2,0,0,0,0|1,0,1]=4 7204 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)Br 7a_100000210342_100000230027 [0,2,0,0,0,0|1,0,1]=4 7205 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000731031 [0,2,0,0,0,0|1,0,1]=4 7206 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000230027 [0,2,0,0,0,0|1,0,1]=4 7207 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)F 34a_100000210426_100000731031 [0,2,0,0,0,0|1,0,1]=4 7208 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)F 7a_100000210426_100000230027 [0,2,0,0,0,0|1,0,1]=4 7209 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)I 34a_100000211634_100000731031 [0,2,0,0,0,0|1,0,1]=4 7210 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)I 7a_100000211634_100000230027 [0,2,0,0,0,0|1,0,1]=4 7211 B14R1.147 CS(=O)(=O)CCOc1cccc(c1)N 34a_100000210217_100000731031 [0,2,0,0,0,0|1,0,1]=4 7212 B14R1.147 Cc1cccc(c1)OCCC(C)(C)O 34a_100000210337_100000702414 [0,2,0,0,0,0|1,0,1]=4 7213 B14R1.147 Cc1cccc(c1)OCCC(C)(C)O 7a_100000210337_100000702414 [0,2,0,0,0,0|1,0,1]=4 7214 B14R1.147 Cc1cccc(c1)OCCS(=O)(=O)C 34a_100000210337_100000731031 [0,2,0,0,0,0|1,0,1]=4 7215 B14R1.147 Cc1cccc(c1)OCCS(=O)(=O)C 7a_100000210337_100000230027 [0,2,0,0,0,0|1,0,1]=4 7216 B14R1.147 Cc1cccc(c1)OCCS(=O)(=O)[O-] 34a_100000210337_100000762736 [0,2,0,0,0,0|1,0,1]=4 7217 B14R1.147 Nc1cccc(c1)OCCS(=O)(=O)[O-] 34a_100000210217_100000762736 [0,2,0,0,0,0|1,0,1]=4 7218 B14R1.147 O=S(=O)([O-])CCOc1cccc(c1)Br 34a_100000210342_100000762736 [0,2,0,0,0,0|1,0,1]=4 7219 B14R1.147 O=S(=O)([O-])CCOc1cccc(c1)Cl 34a_100000210295_100000762736 [0,2,0,0,0,0|1,0,1]=4 7220 B14R1.147 O=S(=O)([O-])CCOc1cccc(c1)F 34a_100000210426_100000762736 [0,2,0,0,0,0|1,0,1]=4 7221 B14R1.147 O=S(=O)([O-])CCOc1cccc(c1)I 34a_100000211634_100000762736 [0,2,0,0,0,0|1,0,1]=4 7222 B14R1.154 C=C(C)CCOc1cccc(c1Br)Br 34a_100010187966_100000730704 [0,2,0,0,0,0|2,0,0]=4 7223 B14R1.154 C=C(C)CCOc1cccc(c1Br)Br 7a_100010187966_100000730704 [0,2,0,0,0,0|2,0,0]=4 7224 B14R1.154 C=C(C)CCOc1cccc(c1Br)C 34a_100000686692_100000730704 [0,2,0,0,0,0|2,0,0]=4 7225 B14R1.154 C=C(C)CCOc1cccc(c1Br)C 7a_100000686692_100000730704 [0,2,0,0,0,0|2,0,0]=4 7226 B14R1.154 C=C(C)CCOc1cccc(c1Br)Cl 34a_100012348804_100000730704 [0,2,0,0,0,0|2,0,0]=4 7227 B14R1.154 C=C(C)CCOc1cccc(c1Br)Cl 7a_100012348804_100000730704 [0,2,0,0,0,0|2,0,0]=4 7228 B14R1.154 C=C(C)CCOc1cccc(c1Br)F 34a_100009820682_100000730704 [0,2,0,0,0,0|2,0,0]=4 7229 B14R1.154 C=C(C)CCOc1cccc(c1Br)F 7a_100009820682_100000730704 [0,2,0,0,0,0|2,0,0]=4 7230 B14R1.154 C=C(C)CCOc1cccc(c1Br)I 34a_100010187914_100000730704 [0,2,0,0,0,0|2,0,0]=4 7231 B14R1.154 C=C(C)CCOc1cccc(c1Br)I 7a_100010187914_100000730704 [0,2,0,0,0,0|2,0,0]=4 7232 B14R1.154 C=C(C)CCOc1cccc(c1Br)N 34a_100012183704_100000730704 [0,2,0,0,0,0|2,0,0]=4 7233 B14R1.154 C=C(C)CCOc1cccc(c1Br)N 7a_100012183704_100000730704 [0,2,0,0,0,0|2,0,0]=4 7234 B14R1.154 C=C(C)CCOc1cccc(c1C)Br 34a_100012002258_100000730704 [0,2,0,0,0,0|2,0,0]=4 7235 B14R1.154 C=C(C)CCOc1cccc(c1C)Br 7a_100012002258_100000730704 [0,2,0,0,0,0|2,0,0]=4 7236 B14R1.154 C=C(C)CCOc1cccc(c1C)C 34a_100000185855_100000730704 [0,2,0,0,0,0|2,0,0]=4 7237 B14R1.154 C=C(C)CCOc1cccc(c1C)C 7a_100000185855_100000730704 [0,2,0,0,0,0|2,0,0]=4 7238 B14R1.154 C=C(C)CCOc1cccc(c1C)Cl 34a_100011265684_100000730704 [0,2,0,0,0,0|2,0,0]=4 7239 B14R1.154 C=C(C)CCOc1cccc(c1C)Cl 7a_100011265684_100000730704 [0,2,0,0,0,0|2,0,0]=4 7240 B14R1.154 C=C(C)CCOc1cccc(c1C)F 34a_100011217231_100000730704 [0,2,0,0,0,0|2,0,0]=4 7241 B14R1.154 C=C(C)CCOc1cccc(c1C)F 7a_100011217231_100000730704 [0,2,0,0,0,0|2,0,0]=4 7242 B14R1.154 C=C(C)CCOc1cccc(c1C)N 34a_100011216573_100000730704 [0,2,0,0,0,0|2,0,0]=4 7243 B14R1.154 C=C(C)CCOc1cccc(c1C)N 7a_100011216573_100000730704 [0,2,0,0,0,0|2,0,0]=4 7244 B14R1.154 C=C(C)CCOc1cccc(c1Cl)Br 34a_100010187913_100000730704 [0,2,0,0,0,0|2,0,0]=4 7245 B14R1.154 C=C(C)CCOc1cccc(c1Cl)Br 7a_100010187913_100000730704 [0,2,0,0,0,0|2,0,0]=4 7246 B14R1.154 C=C(C)CCOc1cccc(c1Cl)C 34a_100000695629_100000730704 [0,2,0,0,0,0|2,0,0]=4 7247 B14R1.154 C=C(C)CCOc1cccc(c1Cl)C 7a_100000695629_100000730704 [0,2,0,0,0,0|2,0,0]=4 7248 B14R1.154 C=C(C)CCOc1cccc(c1Cl)Cl 34a_100000211076_100000730704 [0,2,0,0,0,0|2,0,0]=4 7249 B14R1.154 C=C(C)CCOc1cccc(c1Cl)Cl 7a_100000211076_100000730704 [0,2,0,0,0,0|2,0,0]=4 7250 B14R1.154 C=C(C)CCOc1cccc(c1Cl)F 34a_100000087408_100000730704 [0,2,0,0,0,0|2,0,0]=4 7251 B14R1.154 C=C(C)CCOc1cccc(c1Cl)F 7a_100000087408_100000730704 [0,2,0,0,0,0|2,0,0]=4 7252 B14R1.154 C=C(C)CCOc1cccc(c1Cl)I 34a_100000049636_100000730704 [0,2,0,0,0,0|2,0,0]=4 7253 B14R1.154 C=C(C)CCOc1cccc(c1Cl)I 7a_100000049636_100000730704 [0,2,0,0,0,0|2,0,0]=4 7254 B14R1.154 C=C(C)CCOc1cccc(c1Cl)N 34a_100012002038_100000730704 [0,2,0,0,0,0|2,0,0]=4 7255 B14R1.154 C=C(C)CCOc1cccc(c1Cl)N 7a_100012002038_100000730704 [0,2,0,0,0,0|2,0,0]=4 7256 B14R1.154 C=C(C)CCOc1cccc(c1F)Br 34a_100009817021_100000730704 [0,2,0,0,0,0|2,0,0]=4 7257 B14R1.154 C=C(C)CCOc1cccc(c1F)Br 7a_100009817021_100000730704 [0,2,0,0,0,0|2,0,0]=4 7258 B14R1.154 C=C(C)CCOc1cccc(c1F)C 34a_100000751311_100000730704 [0,2,0,0,0,0|2,0,0]=4 7259 B14R1.154 C=C(C)CCOc1cccc(c1F)C 7a_100000751311_100000730704 [0,2,0,0,0,0|2,0,0]=4 7260 B14R1.154 C=C(C)CCOc1cccc(c1F)Cl 34a_100000687438_100000730704 [0,2,0,0,0,0|2,0,0]=4 7261 B14R1.154 C=C(C)CCOc1cccc(c1F)Cl 7a_100000687438_100000730704 [0,2,0,0,0,0|2,0,0]=4 7262 B14R1.154 C=C(C)CCOc1cccc(c1F)F 34a_100000751161_100000730704 [0,2,0,0,0,0|2,0,0]=4 7263 B14R1.154 C=C(C)CCOc1cccc(c1F)F 7a_100000751161_100000730704 [0,2,0,0,0,0|2,0,0]=4 7264 B14R1.154 C=C(C)CCOc1cccc(c1I)Br 34a_100010187912_100000730704 [0,2,0,0,0,0|2,0,0]=4 7265 B14R1.154 C=C(C)CCOc1cccc(c1I)Br 7a_100010187912_100000730704 [0,2,0,0,0,0|2,0,0]=4 7266 B14R1.154 C=C(C)CCOc1cccc(c1I)C 34a_100010083724_100000730704 [0,2,0,0,0,0|2,0,0]=4 7267 B14R1.154 C=C(C)CCOc1cccc(c1I)C 7a_100010083724_100000730704 [0,2,0,0,0,0|2,0,0]=4 7268 B14R1.154 C=C(C)CCOc1cccc(c1I)Cl 34a_100000050174_100000730704 [0,2,0,0,0,0|2,0,0]=4 7269 B14R1.154 C=C(C)CCOc1cccc(c1I)Cl 7a_100000050174_100000730704 [0,2,0,0,0,0|2,0,0]=4 7270 B14R1.154 C=C(C)CCOc1cccc(c1I)F 34a_100000690913_100000730704 [0,2,0,0,0,0|2,0,0]=4 7271 B14R1.154 C=C(C)CCOc1cccc(c1I)F 7a_100000690913_100000730704 [0,2,0,0,0,0|2,0,0]=4 7272 B14R1.154 C=C(C)CCOc1cccc(c1N)Br 34a_100011934926_100000730704 [0,2,0,0,0,0|2,0,0]=4 7273 B14R1.154 C=C(C)CCOc1cccc(c1N)Br 7a_100011934926_100000730704 [0,2,0,0,0,0|2,0,0]=4 7274 B14R1.154 C=C(C)CCOc1cccc(c1N)C 34a_100000743429_100000730704 [0,2,0,0,0,0|2,0,0]=4 7275 B14R1.154 C=C(C)CCOc1cccc(c1N)C 7a_100000743429_100000730704 [0,2,0,0,0,0|2,0,0]=4 7276 B14R1.154 C=C(C)CCOc1cccc(c1N)Cl 34a_100012022510_100000730704 [0,2,0,0,0,0|2,0,0]=4 7277 B14R1.154 C=C(C)CCOc1cccc(c1N)Cl 7a_100012022510_100000730704 [0,2,0,0,0,0|2,0,0]=4 7278 B14R1.154 C=C(C)CCOc1cccc(c1N)F 34a_100020591140_100000730704 [0,2,0,0,0,0|2,0,0]=4 7279 B14R1.154 C=C(C)CCOc1cccc(c1N)F 7a_100020591140_100000730704 [0,2,0,0,0,0|2,0,0]=4 7280 B14R1.154 C=C(C)CCOc1cccc(c1N)I 34a_200000049512_100000730704 [0,2,0,0,0,0|2,0,0]=4 7281 B14R1.154 C=C(C)CCOc1cccc(c1N)I 7a_200000049512_100000730704 [0,2,0,0,0,0|2,0,0]=4 7282 B14R1.154 C=C(C)CCOc1cccc(c1N)N 34a_100000033209_100000730704 [0,2,0,0,0,0|2,0,0]=4 7283 B14R1.154 CC(=O)CCNc1cccc(c1Br)O 7a_100012183704_100000053229 [0,2,0,0,0,0|2,0,0]=4 7284 B14R1.154 CC(=O)CCNc1cccc(c1C)C 7a_100000210026_100000053229 [0,2,0,0,0,0|2,0,0]=4 7285 B14R1.154 CC(=O)CCNc1cccc(c1C)Cl 7a_100000210441_100000053229 [0,2,0,0,0,0|2,0,0]=4 7286 B14R1.154 CC(=O)CCNc1cccc(c1C)F 7a_100000745574_100000053229 [0,2,0,0,0,0|2,0,0]=4 7287 B14R1.154 CC(=O)CCNc1cccc(c1C)O 7a_100011216573_100000053229 [0,2,0,0,0,0|2,0,0]=4 7288 B14R1.154 CC(=O)CCNc1cccc(c1Cl)C 7a_100000765562_100000053229 [0,2,0,0,0,0|2,0,0]=4 7289 B14R1.154 CC(=O)CCNc1cccc(c1Cl)O 7a_100012002038_100000053229 [0,2,0,0,0,0|2,0,0]=4 7290 B14R1.154 CC(=O)CCNc1cccc(c1F)C 7a_100000697159_100000053229 [0,2,0,0,0,0|2,0,0]=4 7291 B14R1.154 CC(=O)CCOc1cccc(c1Br)Br 7a_100010187966_100000053229 [0,2,0,0,0,0|1,0,0]=3 7292 B14R1.154 CC(=O)CCOc1cccc(c1Br)C 7a_100000686692_100000053229 [0,2,0,0,0,0|1,0,0]=3 7293 B14R1.154 CC(=O)CCOc1cccc(c1Br)Cl 7a_100012348804_100000053229 [0,2,0,0,0,0|1,0,0]=3 7294 B14R1.154 CC(=O)CCOc1cccc(c1Br)F 7a_100009820682_100000053229 [0,2,0,0,0,0|1,0,0]=3 7295 B14R1.154 CC(=O)CCOc1cccc(c1Br)I 7a_100010187914_100000053229 [0,2,0,0,0,0|1,0,0]=3 7296 B14R1.154 CC(=O)CCOc1cccc(c1Br)N 7a_100012183704_100000053229 [0,2,0,0,0,0|1,0,0]=3 7297 B14R1.154 CC(=O)CCOc1cccc(c1C)Br 7a_100012002258_100000053229 [0,2,0,0,0,0|1,0,0]=3 7298 B14R1.154 CC(=O)CCOc1cccc(c1C)C 1458a_100000737315_200000210301 [0,2,0,0,0,0|1,0,0]=3 7299 B14R1.154 CC(=O)CCOc1cccc(c1C)C 7a_100000185855_100000053229 [0,2,0,0,0,0|1,0,0]=3 7300 B14R1.154 CC(=O)CCOc1cccc(c1C)Cl 7a_100011265684_100000053229 [0,2,0,0,0,0|1,0,0]=3 7301 B14R1.154 CC(=O)CCOc1cccc(c1C)F 7a_100011217231_100000053229 [0,2,0,0,0,0|1,0,0]=3 7302 B14R1.154 CC(=O)CCOc1cccc(c1C)N 7a_100011216573_100000053229 [0,2,0,0,0,0|1,0,0]=3 7303 B14R1.154 CC(=O)CCOc1cccc(c1Cl)Br 7a_100010187913_100000053229 [0,2,0,0,0,0|1,0,0]=3 7304 B14R1.154 CC(=O)CCOc1cccc(c1Cl)C 7a_100000695629_100000053229 [0,2,0,0,0,0|1,0,0]=3 7305 B14R1.154 CC(=O)CCOc1cccc(c1Cl)Cl 1458a_100000741501_200000210301 [0,2,0,0,0,0|1,0,0]=3 7306 B14R1.154 CC(=O)CCOc1cccc(c1Cl)Cl 7a_100000211076_100000053229 [0,2,0,0,0,0|1,0,0]=3 7307 B14R1.154 CC(=O)CCOc1cccc(c1Cl)F 7a_100000087408_100000053229 [0,2,0,0,0,0|1,0,0]=3 7308 B14R1.154 CC(=O)CCOc1cccc(c1Cl)I 7a_100000049636_100000053229 [0,2,0,0,0,0|1,0,0]=3 7309 B14R1.154 CC(=O)CCOc1cccc(c1Cl)N 7a_100012002038_100000053229 [0,2,0,0,0,0|1,0,0]=3 7310 B14R1.154 CC(=O)CCOc1cccc(c1F)Br 7a_100009817021_100000053229 [0,2,0,0,0,0|1,0,0]=3 7311 B14R1.154 CC(=O)CCOc1cccc(c1F)C 7a_100000751311_100000053229 [0,2,0,0,0,0|1,0,0]=3 7312 B14R1.154 CC(=O)CCOc1cccc(c1F)Cl 7a_100000687438_100000053229 [0,2,0,0,0,0|1,0,0]=3 7313 B14R1.154 CC(=O)CCOc1cccc(c1F)F 7a_100000751161_100000053229 [0,2,0,0,0,0|1,0,0]=3 7314 B14R1.154 CC(=O)CCOc1cccc(c1I)Br 7a_100010187912_100000053229 [0,2,0,0,0,0|1,0,0]=3 7315 B14R1.154 CC(=O)CCOc1cccc(c1I)C 7a_100010083724_100000053229 [0,2,0,0,0,0|1,0,0]=3 7316 B14R1.154 CC(=O)CCOc1cccc(c1I)Cl 7a_100000050174_100000053229 [0,2,0,0,0,0|1,0,0]=3 7317 B14R1.154 CC(=O)CCOc1cccc(c1I)F 7a_100000690913_100000053229 [0,2,0,0,0,0|1,0,0]=3 7318 B14R1.154 CC(=O)CCOc1cccc(c1N)Br 7a_100011934926_100000053229 [0,2,0,0,0,0|1,0,0]=3 7319 B14R1.154 CC(=O)CCOc1cccc(c1N)C 7a_100000743429_100000053229 [0,2,0,0,0,0|1,0,0]=3 7320 B14R1.154 CC(=O)CCOc1cccc(c1N)Cl 7a_100012022510_100000053229 [0,2,0,0,0,0|1,0,0]=3 7321 B14R1.154 CC(=O)CCOc1cccc(c1N)F 7a_100020591140_100000053229 [0,2,0,0,0,0|1,0,0]=3 7322 B14R1.154 CC(=O)CCOc1cccc(c1N)I 7a_200000049512_100000053229 [0,2,0,0,0,0|1,0,0]=3 7323 B14R1.154 CC(=O)CCOc1cccn(c1=O)C 7a_100000117616_100000053229 [0,2,0,0,0,0|2,0,0]=4 7324 B14R1.154 CC(=O)CCSc1cccc(c1Br)Br 62a_100000053229_100010175083 [0,2,0,0,0,0|1,1,0]=4 7325 B14R1.154 CC(=O)CCSc1cccc(c1Br)Br 62a_100010175083_100000053229 [0,2,0,0,0,0|1,1,0]=4 7326 B14R1.154 CC(=O)CCSc1cccc(c1Br)C 62a_100000053229_100012362457 [0,2,0,0,0,0|1,1,0]=4 7327 B14R1.154 CC(=O)CCSc1cccc(c1Br)C 62a_100012362457_100000053229 [0,2,0,0,0,0|1,1,0]=4 7328 B14R1.154 CC(=O)CCSc1cccc(c1Br)Cl 62a_100000053229_100014021842 [0,2,0,0,0,0|1,1,0]=4 7329 B14R1.154 CC(=O)CCSc1cccc(c1Br)Cl 62a_100014021842_100000053229 [0,2,0,0,0,0|1,1,0]=4 7330 B14R1.154 CC(=O)CCSc1cccc(c1Br)F 62a_100000053229_100010202630 [0,2,0,0,0,0|1,1,0]=4 7331 B14R1.154 CC(=O)CCSc1cccc(c1Br)F 62a_100010202630_100000053229 [0,2,0,0,0,0|1,1,0]=4 7332 B14R1.154 CC(=O)CCSc1cccc(c1Br)O 62a_100000053229_100010187914 [0,2,0,0,0,0|1,1,0]=4 7333 B14R1.154 CC(=O)CCSc1cccc(c1Br)O 62a_100010187914_100000053229 [0,2,0,0,0,0|1,1,0]=4 7334 B14R1.154 CC(=O)CCSc1cccc(c1C)Br 62a_100000053229_100012353703 [0,2,0,0,0,0|1,1,0]=4 7335 B14R1.154 CC(=O)CCSc1cccc(c1C)Br 62a_100012353703_100000053229 [0,2,0,0,0,0|1,1,0]=4 7336 B14R1.154 CC(=O)CCSc1cccc(c1C)C 62a_100000053229_100011214922 [0,2,0,0,0,0|1,1,0]=4 7337 B14R1.154 CC(=O)CCSc1cccc(c1C)C 62a_100011214922_100000053229 [0,2,0,0,0,0|1,1,0]=4 7338 B14R1.154 CC(=O)CCSc1cccc(c1C)Cl 62a_100000053229_100000726075 [0,2,0,0,0,0|1,1,0]=4 7339 B14R1.154 CC(=O)CCSc1cccc(c1C)Cl 62a_100000726075_100000053229 [0,2,0,0,0,0|1,1,0]=4 7340 B14R1.154 CC(=O)CCSc1cccc(c1C)F 62a_100000053229_100011216893 [0,2,0,0,0,0|1,1,0]=4 7341 B14R1.154 CC(=O)CCSc1cccc(c1C)F 62a_100011216893_100000053229 [0,2,0,0,0,0|1,1,0]=4 7342 B14R1.154 CC(=O)CCSc1cccc(c1C)N 62a_100000053229_100000761887 [0,2,0,0,0,0|1,1,0]=4 7343 B14R1.154 CC(=O)CCSc1cccc(c1C)N 62a_100000761887_100000053229 [0,2,0,0,0,0|1,1,0]=4 7344 B14R1.154 CC(=O)CCSc1cccc(c1C)O 62a_100000053229_100012002258 [0,2,0,0,0,0|1,1,0]=4 7345 B14R1.154 CC(=O)CCSc1cccc(c1C)O 62a_100012002258_100000053229 [0,2,0,0,0,0|1,1,0]=4 7346 B14R1.154 CC(=O)CCSc1cccc(c1Cl)Br 62a_100000053229_100010142854 [0,2,0,0,0,0|1,1,0]=4 7347 B14R1.154 CC(=O)CCSc1cccc(c1Cl)Br 62a_100010142854_100000053229 [0,2,0,0,0,0|1,1,0]=4 7348 B14R1.154 CC(=O)CCSc1cccc(c1Cl)C 62a_100000053229_200012352035 [0,2,0,0,0,0|1,1,0]=4 7349 B14R1.154 CC(=O)CCSc1cccc(c1Cl)C 62a_200012352035_100000053229 [0,2,0,0,0,0|1,1,0]=4 7350 B14R1.154 CC(=O)CCSc1cccc(c1Cl)Cl 62a_100000053229_100011215384 [0,2,0,0,0,0|1,1,0]=4 7351 B14R1.154 CC(=O)CCSc1cccc(c1Cl)Cl 62a_100011215384_100000053229 [0,2,0,0,0,0|1,1,0]=4 7352 B14R1.154 CC(=O)CCSc1cccc(c1Cl)F 62a_100000053229_200010234923 [0,2,0,0,0,0|1,1,0]=4 7353 B14R1.154 CC(=O)CCSc1cccc(c1Cl)F 62a_200010234923_100000053229 [0,2,0,0,0,0|1,1,0]=4 7354 B14R1.154 CC(=O)CCSc1cccc(c1Cl)O 62a_100000053229_100000049636 [0,2,0,0,0,0|1,1,0]=4 7355 B14R1.154 CC(=O)CCSc1cccc(c1F)Br 62a_100000053229_100000702267 [0,2,0,0,0,0|1,1,0]=4 7356 B14R1.154 CC(=O)CCSc1cccc(c1F)Br 62a_100000702267_100000053229 [0,2,0,0,0,0|1,1,0]=4 7357 B14R1.154 CC(=O)CCSc1cccc(c1F)C 62a_100000053229_100000717567 [0,2,0,0,0,0|1,1,0]=4 7358 B14R1.154 CC(=O)CCSc1cccc(c1F)C 62a_100000717567_100000053229 [0,2,0,0,0,0|1,1,0]=4 7359 B14R1.154 CC(=O)CCSc1cccc(c1F)Cl 62a_100000053229_100011217346 [0,2,0,0,0,0|1,1,0]=4 7360 B14R1.154 CC(=O)CCSc1cccc(c1F)Cl 62a_100011217346_100000053229 [0,2,0,0,0,0|1,1,0]=4 7361 B14R1.154 CC(=O)CCSc1cccc(c1F)F 62a_100000053229_100000694657 [0,2,0,0,0,0|1,1,0]=4 7362 B14R1.154 CC(=O)CCSc1cccc(c1F)F 62a_100000694657_100000053229 [0,2,0,0,0,0|1,1,0]=4 7363 B14R1.154 CC(=O)CCSc1cccc(c1F)N 62a_100000053229_100011935091 [0,2,0,0,0,0|1,1,0]=4 7364 B14R1.154 CC(=O)CCSc1cccc(c1F)N 62a_100011935091_100000053229 [0,2,0,0,0,0|1,1,0]=4 7365 B14R1.154 CC(=O)CCSc1cccc(c1F)O 62a_100000053229_100009817021 [0,2,0,0,0,0|1,1,0]=4 7366 B14R1.154 CC(=O)CCSc1cccc(c1F)O 62a_100009817021_100000053229 [0,2,0,0,0,0|1,1,0]=4 7367 B14R1.154 CC(=O)CCSc1cccc(c1N)Br 62a_100000053229_100010146558 [0,2,0,0,0,0|1,1,0]=4 7368 B14R1.154 CC(=O)CCSc1cccc(c1N)Br 62a_100010146558_100000053229 [0,2,0,0,0,0|1,1,0]=4 7369 B14R1.154 CC(=O)CCSc1cccc(c1N)C 62a_100000053229_100011834072 [0,2,0,0,0,0|1,1,0]=4 7370 B14R1.154 CC(=O)CCSc1cccc(c1N)C 62a_100011834072_100000053229 [0,2,0,0,0,0|1,1,0]=4 7371 B14R1.154 CC(=O)CCSc1cccc(c1N)Cl 62a_100000053229_100010190421 [0,2,0,0,0,0|1,1,0]=4 7372 B14R1.154 CC(=O)CCSc1cccc(c1N)Cl 62a_100010190421_100000053229 [0,2,0,0,0,0|1,1,0]=4 7373 B14R1.154 CC(=O)CCSc1cccc(c1N)F 62a_100000042321_100000053229 [0,2,0,0,0,0|1,1,0]=4 7374 B14R1.154 CC(=O)CCSc1cccc(c1N)F 62a_100000053229_100000042321 [0,2,0,0,0,0|1,1,0]=4 7375 B14R1.154 CC(=O)CCSc1cccc(c1N)N 62a_100015191791_100000053229 [0,2,0,0,0,0|1,1,0]=4 7376 B14R1.154 CC(=O)CCSc1cccc(c1N)O 62a_100000053229_100011934926 [0,2,0,0,0,0|1,1,0]=4 7377 B14R1.154 CC(=O)CCSc1cccc(c1O)Br 62a_100000053229_100010084509 [0,2,0,0,0,0|1,1,0]=4 7378 B14R1.154 CC(=O)CCSc1cccc(c1O)Br 62a_100010084509_100000053229 [0,2,0,0,0,0|1,1,0]=4 7379 B14R1.154 CC(=O)CCSc1cccc(c1O)C 62a_100000053229_100009817157 [0,2,0,0,0,0|1,1,0]=4 7380 B14R1.154 CC(=O)CCSc1cccc(c1O)C 62a_100009817157_100000053229 [0,2,0,0,0,0|1,1,0]=4 7381 B14R1.154 CC(=O)CCSc1cccc(c1O)Cl 62a_100000053229_100010202889 [0,2,0,0,0,0|1,1,0]=4 7382 B14R1.154 CC(=O)CCSc1cccc(c1O)Cl 62a_100010202889_100000053229 [0,2,0,0,0,0|1,1,0]=4 7383 B14R1.154 CC(=O)CCSc1cccc(c1O)F 62a_100000053229_100009813666 [0,2,0,0,0,0|1,1,0]=4 7384 B14R1.154 CC(=O)CCSc1cccc(c1O)F 62a_100009813666_100000053229 [0,2,0,0,0,0|1,1,0]=4 7385 B14R1.154 CC(=O)CCSc1cccc(c1O)N 62a_100000053229_100010084371 [0,2,0,0,0,0|1,1,0]=4 7386 B14R1.154 CC(=O)CCSc1cccc(c1O)N 62a_100011934915_100000053229 [0,2,0,0,0,0|1,1,0]=4 7387 B14R1.154 CC(=O)CCSc1cccc(c1O)O 62a_100000053229_100009815950 [0,2,0,0,0,0|1,1,0]=4 7388 B14R1.154 CC(=O)OCOc1cccc(c1Br)Br 34a_100010187966_100009813279 [0,2,0,0,0,0|2,0,0]=4 7389 B14R1.154 CC(=O)OCOc1cccc(c1Br)C 34a_100000686692_100009813279 [0,2,0,0,0,0|2,0,0]=4 7390 B14R1.154 CC(=O)OCOc1cccc(c1Br)Cl 34a_100012348804_100009813279 [0,2,0,0,0,0|2,0,0]=4 7391 B14R1.154 CC(=O)OCOc1cccc(c1Br)F 34a_100009820682_100009813279 [0,2,0,0,0,0|2,0,0]=4 7392 B14R1.154 CC(=O)OCOc1cccc(c1Br)I 34a_100010187914_100009813279 [0,2,0,0,0,0|2,0,0]=4 7393 B14R1.154 CC(=O)OCOc1cccc(c1Br)N 34a_100012183704_100009813279 [0,2,0,0,0,0|2,0,0]=4 7394 B14R1.154 CC(=O)OCOc1cccc(c1C)Br 34a_100012002258_100009813279 [0,2,0,0,0,0|2,0,0]=4 7395 B14R1.154 CC(=O)OCOc1cccc(c1C)C 34a_100000185855_100009813279 [0,2,0,0,0,0|2,0,0]=4 7396 B14R1.154 CC(=O)OCOc1cccc(c1C)Cl 34a_100011265684_100009813279 [0,2,0,0,0,0|2,0,0]=4 7397 B14R1.154 CC(=O)OCOc1cccc(c1C)F 34a_100011217231_100009813279 [0,2,0,0,0,0|2,0,0]=4 7398 B14R1.154 CC(=O)OCOc1cccc(c1C)N 34a_100011216573_100009813279 [0,2,0,0,0,0|2,0,0]=4 7399 B14R1.154 CC(=O)OCOc1cccc(c1Cl)Br 34a_100010187913_100009813279 [0,2,0,0,0,0|2,0,0]=4 7400 B14R1.154 CC(=O)OCOc1cccc(c1Cl)C 34a_100000695629_100009813279 [0,2,0,0,0,0|2,0,0]=4 7401 B14R1.154 CC(=O)OCOc1cccc(c1Cl)Cl 34a_100000211076_100009813279 [0,2,0,0,0,0|2,0,0]=4 7402 B14R1.154 CC(=O)OCOc1cccc(c1Cl)F 34a_100000087408_100009813279 [0,2,0,0,0,0|2,0,0]=4 7403 B14R1.154 CC(=O)OCOc1cccc(c1Cl)I 34a_100000049636_100009813279 [0,2,0,0,0,0|2,0,0]=4 7404 B14R1.154 CC(=O)OCOc1cccc(c1Cl)N 34a_100012002038_100009813279 [0,2,0,0,0,0|2,0,0]=4 7405 B14R1.154 CC(=O)OCOc1cccc(c1F)Br 34a_100009817021_100009813279 [0,2,0,0,0,0|2,0,0]=4 7406 B14R1.154 CC(=O)OCOc1cccc(c1F)C 34a_100000751311_100009813279 [0,2,0,0,0,0|2,0,0]=4 7407 B14R1.154 CC(=O)OCOc1cccc(c1F)Cl 34a_100000687438_100009813279 [0,2,0,0,0,0|2,0,0]=4 7408 B14R1.154 CC(=O)OCOc1cccc(c1F)F 34a_100000751161_100009813279 [0,2,0,0,0,0|2,0,0]=4 7409 B14R1.154 CC(=O)OCOc1cccc(c1I)Br 34a_100010187912_100009813279 [0,2,0,0,0,0|2,0,0]=4 7410 B14R1.154 CC(=O)OCOc1cccc(c1I)C 34a_100010083724_100009813279 [0,2,0,0,0,0|2,0,0]=4 7411 B14R1.154 CC(=O)OCOc1cccc(c1I)Cl 34a_100000050174_100009813279 [0,2,0,0,0,0|2,0,0]=4 7412 B14R1.154 CC(=O)OCOc1cccc(c1I)F 34a_100000690913_100009813279 [0,2,0,0,0,0|2,0,0]=4 7413 B14R1.154 CC(=O)OCOc1cccc(c1N)Br 34a_100011934926_100009813279 [0,2,0,0,0,0|2,0,0]=4 7414 B14R1.154 CC(=O)OCOc1cccc(c1N)C 34a_100000743429_100009813279 [0,2,0,0,0,0|2,0,0]=4 7415 B14R1.154 CC(=O)OCOc1cccc(c1N)Cl 34a_100012022510_100009813279 [0,2,0,0,0,0|2,0,0]=4 7416 B14R1.154 CC(=O)OCOc1cccc(c1N)F 34a_100020591140_100009813279 [0,2,0,0,0,0|2,0,0]=4 7417 B14R1.154 CC(=O)OCOc1cccc(c1N)I 34a_200000049512_100009813279 [0,2,0,0,0,0|2,0,0]=4 7418 B14R1.154 CC(=O)OCOc1cccc(c1N)N 34a_100000033209_100009813279 [0,2,0,0,0,0|2,0,0]=4 7419 B14R1.154 CC(O)CCOc1cccc(c1Br)Br 34a_100010187966_100012276601 [0,2,0,0,0,0|1,0,1]=4 7420 B14R1.154 CC(O)CCOc1cccc(c1Br)Br 7a_100010187966_100012276601 [0,2,0,0,0,0|1,0,1]=4 7421 B14R1.154 CC(O)CCOc1cccc(c1Br)Cl 34a_100012348804_100012276601 [0,2,0,0,0,0|1,0,1]=4 7422 B14R1.154 CC(O)CCOc1cccc(c1Br)Cl 7a_100012348804_100012276601 [0,2,0,0,0,0|1,0,1]=4 7423 B14R1.154 CC(O)CCOc1cccc(c1Br)F 34a_100009820682_100012276601 [0,2,0,0,0,0|1,0,1]=4 7424 B14R1.154 CC(O)CCOc1cccc(c1Br)F 7a_100009820682_100012276601 [0,2,0,0,0,0|1,0,1]=4 7425 B14R1.154 CC(O)CCOc1cccc(c1Br)I 34a_100010187914_100012276601 [0,2,0,0,0,0|1,0,1]=4 7426 B14R1.154 CC(O)CCOc1cccc(c1Br)I 7a_100010187914_100012276601 [0,2,0,0,0,0|1,0,1]=4 7427 B14R1.154 CC(O)CCOc1cccc(c1Br)N 34a_100012183704_100012276601 [0,2,0,0,0,0|1,0,1]=4 7428 B14R1.154 CC(O)CCOc1cccc(c1Br)N 7a_100012183704_100012276601 [0,2,0,0,0,0|1,0,1]=4 7429 B14R1.154 CC(O)CCOc1cccc(c1Cl)Br 34a_100010187913_100012276601 [0,2,0,0,0,0|1,0,1]=4 7430 B14R1.154 CC(O)CCOc1cccc(c1Cl)Br 7a_100010187913_100012276601 [0,2,0,0,0,0|1,0,1]=4 7431 B14R1.154 CC(O)CCOc1cccc(c1Cl)Cl 34a_100000211076_100012276601 [0,2,0,0,0,0|1,0,1]=4 7432 B14R1.154 CC(O)CCOc1cccc(c1Cl)Cl 7a_100000211076_100012276601 [0,2,0,0,0,0|1,0,1]=4 7433 B14R1.154 CC(O)CCOc1cccc(c1Cl)F 34a_100000087408_100012276601 [0,2,0,0,0,0|1,0,1]=4 7434 B14R1.154 CC(O)CCOc1cccc(c1Cl)F 7a_100000087408_100012276601 [0,2,0,0,0,0|1,0,1]=4 7435 B14R1.154 CC(O)CCOc1cccc(c1Cl)I 34a_100000049636_100012276601 [0,2,0,0,0,0|1,0,1]=4 7436 B14R1.154 CC(O)CCOc1cccc(c1Cl)I 7a_100000049636_100012276601 [0,2,0,0,0,0|1,0,1]=4 7437 B14R1.154 CC(O)CCOc1cccc(c1Cl)N 34a_100012002038_100012276601 [0,2,0,0,0,0|1,0,1]=4 7438 B14R1.154 CC(O)CCOc1cccc(c1Cl)N 7a_100012002038_100012276601 [0,2,0,0,0,0|1,0,1]=4 7439 B14R1.154 CC(O)CCOc1cccc(c1F)Br 34a_100009817021_100012276601 [0,2,0,0,0,0|1,0,1]=4 7440 B14R1.154 CC(O)CCOc1cccc(c1F)Br 7a_100009817021_100012276601 [0,2,0,0,0,0|1,0,1]=4 7441 B14R1.154 CC(O)CCOc1cccc(c1F)Cl 34a_100000687438_100012276601 [0,2,0,0,0,0|1,0,1]=4 7442 B14R1.154 CC(O)CCOc1cccc(c1F)Cl 7a_100000687438_100012276601 [0,2,0,0,0,0|1,0,1]=4 7443 B14R1.154 CC(O)CCOc1cccc(c1F)F 34a_100000751161_100012276601 [0,2,0,0,0,0|1,0,1]=4 7444 B14R1.154 CC(O)CCOc1cccc(c1F)F 7a_100000751161_100012276601 [0,2,0,0,0,0|1,0,1]=4 7445 B14R1.154 CC(O)CCOc1cccc(c1I)Br 34a_100010187912_100012276601 [0,2,0,0,0,0|1,0,1]=4 7446 B14R1.154 CC(O)CCOc1cccc(c1I)Br 7a_100010187912_100012276601 [0,2,0,0,0,0|1,0,1]=4 7447 B14R1.154 CC(O)CCOc1cccc(c1I)Cl 34a_100000050174_100012276601 [0,2,0,0,0,0|1,0,1]=4 7448 B14R1.154 CC(O)CCOc1cccc(c1I)Cl 7a_100000050174_100012276601 [0,2,0,0,0,0|1,0,1]=4 7449 B14R1.154 CC(O)CCOc1cccc(c1I)F 34a_100000690913_100012276601 [0,2,0,0,0,0|1,0,1]=4 7450 B14R1.154 CC(O)CCOc1cccc(c1I)F 7a_100000690913_100012276601 [0,2,0,0,0,0|1,0,1]=4 7451 B14R1.154 CC(O)CCOc1cccc(c1N)Br 34a_100011934926_100012276601 [0,2,0,0,0,0|1,0,1]=4 7452 B14R1.154 CC(O)CCOc1cccc(c1N)Br 7a_100011934926_100012276601 [0,2,0,0,0,0|1,0,1]=4 7453 B14R1.154 CC(O)CCOc1cccc(c1N)Cl 34a_100012022510_100012276601 [0,2,0,0,0,0|1,0,1]=4 7454 B14R1.154 CC(O)CCOc1cccc(c1N)Cl 7a_100012022510_100012276601 [0,2,0,0,0,0|1,0,1]=4 7455 B14R1.154 CC(O)CCOc1cccc(c1N)F 34a_100020591140_100012276601 [0,2,0,0,0,0|1,0,1]=4 7456 B14R1.154 CC(O)CCOc1cccc(c1N)F 7a_100020591140_100012276601 [0,2,0,0,0,0|1,0,1]=4 7457 B14R1.154 CC(O)CCOc1cccc(c1N)I 34a_200000049512_100012276601 [0,2,0,0,0,0|1,0,1]=4 7458 B14R1.154 CC(O)CCOc1cccc(c1N)I 7a_200000049512_100012276601 [0,2,0,0,0,0|1,0,1]=4 7459 B14R1.154 CC(O)CCOc1cccc(c1N)N 34a_100000033209_100012276601 [0,2,0,0,0,0|1,0,1]=4 7460 B14R1.154 Cc1c(cccc1CNCC(=O)O)Br 269956a_100016091260_100000694682 [0,2,0,0,0,0|2,0,0]=4 7461 B14R1.154 Cc1c(cccc1CNCC(=O)O)Cl 269956a_100016091260_100012186920 [0,2,0,0,0,0|2,0,0]=4 7462 B14R1.154 Cc1c(cccc1CNCC(=O)O)F 269956a_100016091260_100009813626 [0,2,0,0,0,0|2,0,0]=4 7463 B14R1.154 Cc1c(cccc1CNCC(=O)O)I 269956a_100016091260_100010150147 [0,2,0,0,0,0|2,0,0]=4 7464 B14R1.154 Cc1c(cccc1NCCC(=O)N)Br 34a_100000750434_100000731001 [0,2,0,0,0,0|2,0,0]=4 7465 B14R1.154 Cc1c(cccc1NCCC(=O)N)Cl 2230a_100000210441_100000744528 [0,2,0,0,0,0|2,0,0]=4 7466 B14R1.154 Cc1c(cccc1NCCC(=O)N)Cl 34a_100000210441_100000731001 [0,2,0,0,0,0|2,0,0]=4 7467 B14R1.154 Cc1c(cccc1NCCC(=O)N)Cl 7a_100000210441_100000744528 [0,2,0,0,0,0|2,0,0]=4 7468 B14R1.154 Cc1c(cccc1NCCC(=O)N)F 34a_100000745574_100000731001 [0,2,0,0,0,0|2,0,0]=4 7469 B14R1.154 Cc1c(cccc1NCCC(=O)N)F 7a_100000745574_100000744528 [0,2,0,0,0,0|2,0,0]=4 7470 B14R1.154 Cc1c(cccc1NCCC(=O)N)I 34a_100000761887_100000731001 [0,2,0,0,0,0|2,0,0]=4 7471 B14R1.154 Cc1c(cccc1NCCC(=O)N)O 34a_100011216573_100000731001 [0,2,0,0,0,0|2,0,0]=4 7472 B14R1.154 Cc1c(cccc1NCCC(=O)N)O 7a_100011216573_100000744528 [0,2,0,0,0,0|2,0,0]=4 7473 B14R1.154 Cc1c(cccc1OCCC(=O)N)Br 34a_100012002258_100000731001 [0,2,0,0,0,0|1,0,0]=3 7474 B14R1.154 Cc1c(cccc1OCCC(=O)N)Br 7a_100012002258_100000744528 [0,2,0,0,0,0|1,0,0]=3 7475 B14R1.154 Cc1c(cccc1OCCC(=O)N)Cl 34a_100011265684_100000731001 [0,2,0,0,0,0|1,0,0]=3 7476 B14R1.154 Cc1c(cccc1OCCC(=O)N)Cl 7a_100011265684_100000744528 [0,2,0,0,0,0|1,0,0]=3 7477 B14R1.154 Cc1c(cccc1OCCC(=O)N)F 34a_100011217231_100000731001 [0,2,0,0,0,0|1,0,0]=3 7478 B14R1.154 Cc1c(cccc1OCCC(=O)N)F 7a_100011217231_100000744528 [0,2,0,0,0,0|1,0,0]=3 7479 B14R1.154 Cc1c(cccc1OCCC(=O)N)N 34a_100011216573_100000731001 [0,2,0,0,0,0|1,0,0]=3 7480 B14R1.154 Cc1c(cccc1OCCC(=O)N)N 7a_100011216573_100000744528 [0,2,0,0,0,0|1,0,0]=3 7481 B14R1.154 Cc1c(cccc1OCCC(C)O)Br 34a_100012002258_100012276601 [0,2,0,0,0,0|1,0,1]=4 7482 B14R1.154 Cc1c(cccc1OCCC(C)O)Br 7a_100012002258_100012276601 [0,2,0,0,0,0|1,0,1]=4 7483 B14R1.154 Cc1c(cccc1OCCC(C)O)Cl 34a_100011265684_100012276601 [0,2,0,0,0,0|1,0,1]=4 7484 B14R1.154 Cc1c(cccc1OCCC(C)O)Cl 7a_100011265684_100012276601 [0,2,0,0,0,0|1,0,1]=4 7485 B14R1.154 Cc1c(cccc1OCCC(C)O)F 34a_100011217231_100012276601 [0,2,0,0,0,0|1,0,1]=4 7486 B14R1.154 Cc1c(cccc1OCCC(C)O)F 7a_100011217231_100012276601 [0,2,0,0,0,0|1,0,1]=4 7487 B14R1.154 Cc1c(cccc1OCCC(C)O)N 34a_100011216573_100012276601 [0,2,0,0,0,0|1,0,1]=4 7488 B14R1.154 Cc1c(cccc1OCCC(C)O)N 7a_100011216573_100012276601 [0,2,0,0,0,0|1,0,1]=4 7489 B14R1.154 Cc1c(cccc1SCCC(=O)N)Br 62a_100000744528_100012353703 [0,2,0,0,0,0|1,1,0]=4 7490 B14R1.154 Cc1c(cccc1SCCC(=O)N)Br 62a_100012353703_100000744528 [0,2,0,0,0,0|1,1,0]=4 7491 B14R1.154 Cc1c(cccc1SCCC(=O)N)Cl 62a_100000726075_100000744528 [0,2,0,0,0,0|1,1,0]=4 7492 B14R1.154 Cc1c(cccc1SCCC(=O)N)Cl 62a_100000744528_100000726075 [0,2,0,0,0,0|1,1,0]=4 7493 B14R1.154 Cc1c(cccc1SCCC(=O)N)F 62a_100000744528_100011216893 [0,2,0,0,0,0|1,1,0]=4 7494 B14R1.154 Cc1c(cccc1SCCC(=O)N)F 62a_100011216893_100000744528 [0,2,0,0,0,0|1,1,0]=4 7495 B14R1.154 Cc1c(cccc1SCCC(=O)N)N 62a_100000744528_100000761887 [0,2,0,0,0,0|1,1,0]=4 7496 B14R1.154 Cc1c(cccc1SCCC(=O)N)N 62a_100000761887_100000744528 [0,2,0,0,0,0|1,1,0]=4 7497 B14R1.154 Cc1c(cccc1SCCC(=O)N)O 62a_100000744528_100012002258 [0,2,0,0,0,0|1,1,0]=4 7498 B14R1.154 Cc1c(cccc1SCCC(=O)N)O 62a_100012002258_100000744528 [0,2,0,0,0,0|1,1,0]=4 7499 B14R1.154 Cc1c(ccnc1OCCC(=O)N)Br 34a_100009858498_100000731001 [0,2,0,0,0,0|2,0,0]=4 7500 B14R1.154 Cc1cccc(c1Br)CNCC(=O)O 269956a_100016091260_200012349612 [0,2,0,0,0,0|2,0,0]=4 7501 B14R1.154 Cc1cccc(c1Br)NCCC(=O)N 34a_100000684715_100000731001 [0,2,0,0,0,0|2,0,0]=4 7502 B14R1.154 Cc1cccc(c1Br)OCCC(=O)N 34a_100000686692_100000731001 [0,2,0,0,0,0|1,0,0]=3 7503 B14R1.154 Cc1cccc(c1Br)OCCC(=O)N 7a_100000686692_100000744528 [0,2,0,0,0,0|1,0,0]=3 7504 B14R1.154 Cc1cccc(c1Br)OCCC(C)O 34a_100000686692_100012276601 [0,2,0,0,0,0|1,0,1]=4 7505 B14R1.154 Cc1cccc(c1Br)OCCC(C)O 7a_100000686692_100012276601 [0,2,0,0,0,0|1,0,1]=4 7506 B14R1.154 Cc1cccc(c1Br)SCCC(=O)N 62a_100000744528_100012362457 [0,2,0,0,0,0|1,1,0]=4 7507 B14R1.154 Cc1cccc(c1Br)SCCC(=O)N 62a_100012362457_100000744528 [0,2,0,0,0,0|1,1,0]=4 7508 B14R1.154 Cc1cccc(c1C)CNCC(=O)O 269956a_100016091260_100011515928 [0,2,0,0,0,0|2,0,0]=4 7509 B14R1.154 Cc1cccc(c1C)NCCC(=O)N 2230a_100000210026_100000744528 [0,2,0,0,0,0|2,0,0]=4 7510 B14R1.154 Cc1cccc(c1C)NCCC(=O)N 34a_100000210026_100000731001 [0,2,0,0,0,0|2,0,0]=4 7511 B14R1.154 Cc1cccc(c1C)NCCC(=O)N 7a_100000210026_100000744528 [0,2,0,0,0,0|2,0,0]=4 7512 B14R1.154 Cc1cccc(c1C)OCCC(=O)N 34a_100000185855_100000731001 [0,2,0,0,0,0|1,0,0]=3 7513 B14R1.154 Cc1cccc(c1C)OCCC(=O)N 7a_100000185855_100000744528 [0,2,0,0,0,0|1,0,0]=3 7514 B14R1.154 Cc1cccc(c1C)OCCC(=O)[13CH3] 1458a_100000737315_200025704644 [0,2,0,0,0,0|1,0,0]=3 7515 B14R1.154 Cc1cccc(c1C)OCCC(C)O 34a_100000185855_100012276601 [0,2,0,0,0,0|1,0,1]=4 7516 B14R1.154 Cc1cccc(c1C)OCCC(C)O 7a_100000185855_100012276601 [0,2,0,0,0,0|1,0,1]=4 7517 B14R1.154 Cc1cccc(c1C)SCCC(=O)N 62a_100000744528_100011214922 [0,2,0,0,0,0|1,1,0]=4 7518 B14R1.154 Cc1cccc(c1C)SCCC(=O)N 62a_100011214922_100000744528 [0,2,0,0,0,0|1,1,0]=4 7519 B14R1.154 Cc1cccc(c1Cl)NCCC(=O)N 34a_100000765562_100000731001 [0,2,0,0,0,0|2,0,0]=4 7520 B14R1.154 Cc1cccc(c1Cl)NCCC(=O)N 7a_100000765562_100000744528 [0,2,0,0,0,0|2,0,0]=4 7521 B14R1.154 Cc1cccc(c1Cl)OCCC(=O)N 34a_100000695629_100000731001 [0,2,0,0,0,0|1,0,0]=3 7522 B14R1.154 Cc1cccc(c1Cl)OCCC(=O)N 7a_100000695629_100000744528 [0,2,0,0,0,0|1,0,0]=3 7523 B14R1.154 Cc1cccc(c1Cl)OCCC(C)O 34a_100000695629_100012276601 [0,2,0,0,0,0|1,0,1]=4 7524 B14R1.154 Cc1cccc(c1Cl)OCCC(C)O 7a_100000695629_100012276601 [0,2,0,0,0,0|1,0,1]=4 7525 B14R1.154 Cc1cccc(c1Cl)SCCC(=O)N 62a_100000744528_200012352035 [0,2,0,0,0,0|1,1,0]=4 7526 B14R1.154 Cc1cccc(c1Cl)SCCC(=O)N 62a_200012352035_100000744528 [0,2,0,0,0,0|1,1,0]=4 7527 B14R1.154 Cc1cccc(c1F)CNCC(=O)O 269956a_100016091260_100011216058 [0,2,0,0,0,0|2,0,0]=4 7528 B14R1.154 Cc1cccc(c1F)NCCC(=O)N 2230a_100000697159_100000744528 [0,2,0,0,0,0|2,0,0]=4 7529 B14R1.154 Cc1cccc(c1F)NCCC(=O)N 34a_100000697159_100000731001 [0,2,0,0,0,0|2,0,0]=4 7530 B14R1.154 Cc1cccc(c1F)NCCC(=O)N 7a_100000697159_100000744528 [0,2,0,0,0,0|2,0,0]=4 7531 B14R1.154 Cc1cccc(c1F)OCCC(=O)N 34a_100000751311_100000731001 [0,2,0,0,0,0|1,0,0]=3 7532 B14R1.154 Cc1cccc(c1F)OCCC(=O)N 7a_100000751311_100000744528 [0,2,0,0,0,0|1,0,0]=3 7533 B14R1.154 Cc1cccc(c1F)OCCC(C)O 34a_100000751311_100012276601 [0,2,0,0,0,0|1,0,1]=4 7534 B14R1.154 Cc1cccc(c1F)OCCC(C)O 7a_100000751311_100012276601 [0,2,0,0,0,0|1,0,1]=4 7535 B14R1.154 Cc1cccc(c1F)SCCC(=O)N 62a_100000717567_100000744528 [0,2,0,0,0,0|1,1,0]=4 7536 B14R1.154 Cc1cccc(c1F)SCCC(=O)N 62a_100000744528_100000717567 [0,2,0,0,0,0|1,1,0]=4 7537 B14R1.154 Cc1cccc(c1I)NCCC(=O)N 34a_100000761888_100000731001 [0,2,0,0,0,0|2,0,0]=4 7538 B14R1.154 Cc1cccc(c1I)OCCC(=O)N 34a_100010083724_100000731001 [0,2,0,0,0,0|1,0,0]=3 7539 B14R1.154 Cc1cccc(c1I)OCCC(=O)N 7a_100010083724_100000744528 [0,2,0,0,0,0|1,0,0]=3 7540 B14R1.154 Cc1cccc(c1I)OCCC(C)O 34a_100010083724_100012276601 [0,2,0,0,0,0|1,0,1]=4 7541 B14R1.154 Cc1cccc(c1I)OCCC(C)O 7a_100010083724_100012276601 [0,2,0,0,0,0|1,0,1]=4 7542 B14R1.154 Cc1cccc(c1N)OCCC(=O)N 34a_100000743429_100000731001 [0,2,0,0,0,0|1,0,0]=3 7543 B14R1.154 Cc1cccc(c1N)OCCC(=O)N 7a_100000743429_100000744528 [0,2,0,0,0,0|1,0,0]=3 7544 B14R1.154 Cc1cccc(c1N)OCCC(C)O 34a_100000743429_100012276601 [0,2,0,0,0,0|1,0,1]=4 7545 B14R1.154 Cc1cccc(c1N)OCCC(C)O 7a_100000743429_100012276601 [0,2,0,0,0,0|1,0,1]=4 7546 B14R1.154 Cc1cccc(c1N)SCCC(=O)N 62a_100000744528_100011834072 [0,2,0,0,0,0|1,1,0]=4 7547 B14R1.154 Cc1cccc(c1N)SCCC(=O)N 62a_100011834072_100000744528 [0,2,0,0,0,0|1,1,0]=4 7548 B14R1.154 Cc1cccc(c1O)NCCC(=O)N 34a_100000756359_100000731001 [0,2,0,0,0,0|2,0,0]=4 7549 B14R1.154 Cc1cccc(c1O)SCCC(=O)N 62a_100000744528_100009817157 [0,2,0,0,0,0|1,1,0]=4 7550 B14R1.154 Cc1cccc(c1O)SCCC(=O)N 62a_100009817157_100000744528 [0,2,0,0,0,0|1,1,0]=4 7551 B14R1.154 Cc1ccnc(c1Br)OCCC(=O)N 34a_100012000493_100000731001 [0,2,0,0,0,0|2,0,0]=4 7552 B14R1.154 Cn1cccc(c1=O)OCCC(=O)N 34a_100000117616_100000731001 [0,2,0,0,0,0|2,0,0]=4 7553 B14R1.154 Cn1cccc(c1=O)OCCC(=O)N 7a_100000117616_100000744528 [0,2,0,0,0,0|2,0,0]=4 7554 B14R1.154 NC(=O)CCNc1cccc(c1Br)Cl 34a_100000687072_100000731001 [0,2,0,0,0,0|2,0,0]=4 7555 B14R1.154 NC(=O)CCNc1cccc(c1Br)F 34a_100011934729_100000731001 [0,2,0,0,0,0|2,0,0]=4 7556 B14R1.154 NC(=O)CCNc1cccc(c1Br)O 34a_100012183704_100000731001 [0,2,0,0,0,0|2,0,0]=4 7557 B14R1.154 NC(=O)CCNc1cccc(c1Br)O 7a_100012183704_100000744528 [0,2,0,0,0,0|2,0,0]=4 7558 B14R1.154 NC(=O)CCNc1cccc(c1Cl)Br 34a_100000687075_100000731001 [0,2,0,0,0,0|2,0,0]=4 7559 B14R1.154 NC(=O)CCNc1cccc(c1Cl)Cl 34a_100000185733_100000731001 [0,2,0,0,0,0|2,0,0]=4 7560 B14R1.154 NC(=O)CCNc1cccc(c1Cl)F 34a_100000692321_100000731001 [0,2,0,0,0,0|2,0,0]=4 7561 B14R1.154 NC(=O)CCNc1cccc(c1Cl)O 34a_100012002038_100000731001 [0,2,0,0,0,0|2,0,0]=4 7562 B14R1.154 NC(=O)CCNc1cccc(c1Cl)O 7a_100012002038_100000744528 [0,2,0,0,0,0|2,0,0]=4 7563 B14R1.154 NC(=O)CCNc1cccc(c1F)Br 2230a_100011935091_100000744528 [0,2,0,0,0,0|2,0,0]=4 7564 B14R1.154 NC(=O)CCNc1cccc(c1F)Br 34a_100011935091_100000731001 [0,2,0,0,0,0|2,0,0]=4 7565 B14R1.154 NC(=O)CCNc1cccc(c1F)Cl 2230a_100000199060_100000744528 [0,2,0,0,0,0|2,0,0]=4 7566 B14R1.154 NC(=O)CCNc1cccc(c1F)Cl 34a_100000199060_100000731001 [0,2,0,0,0,0|2,0,0]=4 7567 B14R1.154 NC(=O)CCNc1cccc(c1F)F 34a_100000743855_100000731001 [0,2,0,0,0,0|2,0,0]=4 7568 B14R1.154 NC(=O)CCNc1cccc(c1I)Br 34a_100020590159_100000731001 [0,2,0,0,0,0|2,0,0]=4 7569 B14R1.154 NC(=O)CCNc1cccc(c1I)Cl 34a_100000049713_100000731001 [0,2,0,0,0,0|2,0,0]=4 7570 B14R1.154 NC(=O)CCNc1cccc(c1I)F 34a_100000690935_100000731001 [0,2,0,0,0,0|2,0,0]=4 7571 B14R1.154 NC(=O)CCNc1cccc(c1O)Br 34a_100011934915_100000731001 [0,2,0,0,0,0|2,0,0]=4 7572 B14R1.154 NC(=O)CCNc1cccc(c1O)Cl 34a_100000754742_100000731001 [0,2,0,0,0,0|2,0,0]=4 7573 B14R1.154 NC(=O)CCNc1cccc(c1O)F 34a_100011934987_100000731001 [0,2,0,0,0,0|2,0,0]=4 7574 B14R1.154 NC(=O)CCOc1cccc(c1Br)Br 34a_100010187966_100000731001 [0,2,0,0,0,0|1,0,0]=3 7575 B14R1.154 NC(=O)CCOc1cccc(c1Br)Br 7a_100010187966_100000744528 [0,2,0,0,0,0|1,0,0]=3 7576 B14R1.154 NC(=O)CCOc1cccc(c1Br)Cl 34a_100012348804_100000731001 [0,2,0,0,0,0|1,0,0]=3 7577 B14R1.154 NC(=O)CCOc1cccc(c1Br)Cl 7a_100012348804_100000744528 [0,2,0,0,0,0|1,0,0]=3 7578 B14R1.154 NC(=O)CCOc1cccc(c1Br)F 34a_100009820682_100000731001 [0,2,0,0,0,0|1,0,0]=3 7579 B14R1.154 NC(=O)CCOc1cccc(c1Br)F 7a_100009820682_100000744528 [0,2,0,0,0,0|1,0,0]=3 7580 B14R1.154 NC(=O)CCOc1cccc(c1Br)I 34a_100010187914_100000731001 [0,2,0,0,0,0|1,0,0]=3 7581 B14R1.154 NC(=O)CCOc1cccc(c1Br)I 7a_100010187914_100000744528 [0,2,0,0,0,0|1,0,0]=3 7582 B14R1.154 NC(=O)CCOc1cccc(c1Br)N 34a_100012183704_100000731001 [0,2,0,0,0,0|1,0,0]=3 7583 B14R1.154 NC(=O)CCOc1cccc(c1Br)N 7a_100012183704_100000744528 [0,2,0,0,0,0|1,0,0]=3 7584 B14R1.154 NC(=O)CCOc1cccc(c1Cl)Br 34a_100010187913_100000731001 [0,2,0,0,0,0|1,0,0]=3 7585 B14R1.154 NC(=O)CCOc1cccc(c1Cl)Br 7a_100010187913_100000744528 [0,2,0,0,0,0|1,0,0]=3 7586 B14R1.154 NC(=O)CCOc1cccc(c1Cl)Cl 34a_100000211076_100000731001 [0,2,0,0,0,0|1,0,0]=3 7587 B14R1.154 NC(=O)CCOc1cccc(c1Cl)Cl 7a_100000211076_100000744528 [0,2,0,0,0,0|1,0,0]=3 7588 B14R1.154 NC(=O)CCOc1cccc(c1Cl)F 34a_100000087408_100000731001 [0,2,0,0,0,0|1,0,0]=3 7589 B14R1.154 NC(=O)CCOc1cccc(c1Cl)F 7a_100000087408_100000744528 [0,2,0,0,0,0|1,0,0]=3 7590 B14R1.154 NC(=O)CCOc1cccc(c1Cl)I 34a_100000049636_100000731001 [0,2,0,0,0,0|1,0,0]=3 7591 B14R1.154 NC(=O)CCOc1cccc(c1Cl)I 7a_100000049636_100000744528 [0,2,0,0,0,0|1,0,0]=3 7592 B14R1.154 NC(=O)CCOc1cccc(c1Cl)N 34a_100012002038_100000731001 [0,2,0,0,0,0|1,0,0]=3 7593 B14R1.154 NC(=O)CCOc1cccc(c1Cl)N 7a_100012002038_100000744528 [0,2,0,0,0,0|1,0,0]=3 7594 B14R1.154 NC(=O)CCOc1cccc(c1F)Br 34a_100009817021_100000731001 [0,2,0,0,0,0|1,0,0]=3 7595 B14R1.154 NC(=O)CCOc1cccc(c1F)Br 7a_100009817021_100000744528 [0,2,0,0,0,0|1,0,0]=3 7596 B14R1.154 NC(=O)CCOc1cccc(c1F)Cl 34a_100000687438_100000731001 [0,2,0,0,0,0|1,0,0]=3 7597 B14R1.154 NC(=O)CCOc1cccc(c1F)Cl 7a_100000687438_100000744528 [0,2,0,0,0,0|1,0,0]=3 7598 B14R1.154 NC(=O)CCOc1cccc(c1F)F 34a_100000751161_100000731001 [0,2,0,0,0,0|1,0,0]=3 7599 B14R1.154 NC(=O)CCOc1cccc(c1F)F 7a_100000751161_100000744528 [0,2,0,0,0,0|1,0,0]=3 7600 B14R1.154 NC(=O)CCOc1cccc(c1I)Br 34a_100010187912_100000731001 [0,2,0,0,0,0|1,0,0]=3 7601 B14R1.154 NC(=O)CCOc1cccc(c1I)Br 7a_100010187912_100000744528 [0,2,0,0,0,0|1,0,0]=3 7602 B14R1.154 NC(=O)CCOc1cccc(c1I)Cl 34a_100000050174_100000731001 [0,2,0,0,0,0|1,0,0]=3 7603 B14R1.154 NC(=O)CCOc1cccc(c1I)Cl 7a_100000050174_100000744528 [0,2,0,0,0,0|1,0,0]=3 7604 B14R1.154 NC(=O)CCOc1cccc(c1I)F 34a_100000690913_100000731001 [0,2,0,0,0,0|1,0,0]=3 7605 B14R1.154 NC(=O)CCOc1cccc(c1I)F 7a_100000690913_100000744528 [0,2,0,0,0,0|1,0,0]=3 7606 B14R1.154 NC(=O)CCOc1cccc(c1N)Br 34a_100011934926_100000731001 [0,2,0,0,0,0|1,0,0]=3 7607 B14R1.154 NC(=O)CCOc1cccc(c1N)Br 7a_100011934926_100000744528 [0,2,0,0,0,0|1,0,0]=3 7608 B14R1.154 NC(=O)CCOc1cccc(c1N)Cl 34a_100012022510_100000731001 [0,2,0,0,0,0|1,0,0]=3 7609 B14R1.154 NC(=O)CCOc1cccc(c1N)Cl 7a_100012022510_100000744528 [0,2,0,0,0,0|1,0,0]=3 7610 B14R1.154 NC(=O)CCOc1cccc(c1N)F 34a_100020591140_100000731001 [0,2,0,0,0,0|1,0,0]=3 7611 B14R1.154 NC(=O)CCOc1cccc(c1N)F 7a_100020591140_100000744528 [0,2,0,0,0,0|1,0,0]=3 7612 B14R1.154 NC(=O)CCOc1cccc(c1N)I 34a_200000049512_100000731001 [0,2,0,0,0,0|1,0,0]=3 7613 B14R1.154 NC(=O)CCOc1cccc(c1N)I 7a_200000049512_100000744528 [0,2,0,0,0,0|1,0,0]=3 7614 B14R1.154 NC(=O)CCOc1cccc(c1N)N 34a_100000033209_100000731001 [0,2,0,0,0,0|1,0,0]=3 7615 B14R1.154 NC(=O)CCOc1ccnc(c1Br)Cl 34a_100010136240_100000731001 [0,2,0,0,0,0|2,0,0]=4 7616 B14R1.154 NC(=O)CCOc1ccnc(c1Cl)Cl 34a_100009860235_100000731001 [0,2,0,0,0,0|2,0,0]=4 7617 B14R1.154 NC(=O)CCOc1ccnc(c1F)Br 34a_100009876375_100000731001 [0,2,0,0,0,0|2,0,0]=4 7618 B14R1.154 NC(=O)CCOc1ccnc(c1F)Cl 34a_100009856406_100000731001 [0,2,0,0,0,0|2,0,0]=4 7619 B14R1.154 NC(=O)CCOc1ccnc(c1N)Cl 34a_100000128729_100000731001 [0,2,0,0,0,0|2,0,0]=4 7620 B14R1.154 NC(=O)CCOc1nccc(c1Cl)N 34a_200000093555_100000731001 [0,2,0,0,0,0|2,0,0]=4 7621 B14R1.154 NC(=O)CCSc1cccc(c1Br)Br 62a_100000744528_100010175083 [0,2,0,0,0,0|1,1,0]=4 7622 B14R1.154 NC(=O)CCSc1cccc(c1Br)Br 62a_100010175083_100000744528 [0,2,0,0,0,0|1,1,0]=4 7623 B14R1.154 NC(=O)CCSc1cccc(c1Br)Cl 62a_100000744528_100014021842 [0,2,0,0,0,0|1,1,0]=4 7624 B14R1.154 NC(=O)CCSc1cccc(c1Br)Cl 62a_100014021842_100000744528 [0,2,0,0,0,0|1,1,0]=4 7625 B14R1.154 NC(=O)CCSc1cccc(c1Br)F 62a_100000744528_100010202630 [0,2,0,0,0,0|1,1,0]=4 7626 B14R1.154 NC(=O)CCSc1cccc(c1Br)F 62a_100010202630_100000744528 [0,2,0,0,0,0|1,1,0]=4 7627 B14R1.154 NC(=O)CCSc1cccc(c1Br)O 62a_100000744528_100010187914 [0,2,0,0,0,0|1,1,0]=4 7628 B14R1.154 NC(=O)CCSc1cccc(c1Br)O 62a_100010187914_100000744528 [0,2,0,0,0,0|1,1,0]=4 7629 B14R1.154 NC(=O)CCSc1cccc(c1Cl)Br 62a_100000744528_100010142854 [0,2,0,0,0,0|1,1,0]=4 7630 B14R1.154 NC(=O)CCSc1cccc(c1Cl)Br 62a_100010142854_100000744528 [0,2,0,0,0,0|1,1,0]=4 7631 B14R1.154 NC(=O)CCSc1cccc(c1Cl)Cl 62a_100000744528_100011215384 [0,2,0,0,0,0|1,1,0]=4 7632 B14R1.154 NC(=O)CCSc1cccc(c1Cl)Cl 62a_100011215384_100000744528 [0,2,0,0,0,0|1,1,0]=4 7633 B14R1.154 NC(=O)CCSc1cccc(c1Cl)F 62a_100000744528_200010234923 [0,2,0,0,0,0|1,1,0]=4 7634 B14R1.154 NC(=O)CCSc1cccc(c1Cl)F 62a_200010234923_100000744528 [0,2,0,0,0,0|1,1,0]=4 7635 B14R1.154 NC(=O)CCSc1cccc(c1Cl)O 62a_100000744528_100000049636 [0,2,0,0,0,0|1,1,0]=4 7636 B14R1.154 NC(=O)CCSc1cccc(c1F)Br 62a_100000702267_100000744528 [0,2,0,0,0,0|1,1,0]=4 7637 B14R1.154 NC(=O)CCSc1cccc(c1F)Br 62a_100000744528_100000702267 [0,2,0,0,0,0|1,1,0]=4 7638 B14R1.154 NC(=O)CCSc1cccc(c1F)Cl 62a_100000744528_100011217346 [0,2,0,0,0,0|1,1,0]=4 7639 B14R1.154 NC(=O)CCSc1cccc(c1F)Cl 62a_100011217346_100000744528 [0,2,0,0,0,0|1,1,0]=4 7640 B14R1.154 NC(=O)CCSc1cccc(c1F)F 62a_100000694657_100000744528 [0,2,0,0,0,0|1,1,0]=4 7641 B14R1.154 NC(=O)CCSc1cccc(c1F)F 62a_100000744528_100000694657 [0,2,0,0,0,0|1,1,0]=4 7642 B14R1.154 NC(=O)CCSc1cccc(c1F)N 62a_100000744528_100011935091 [0,2,0,0,0,0|1,1,0]=4 7643 B14R1.154 NC(=O)CCSc1cccc(c1F)N 62a_100011935091_100000744528 [0,2,0,0,0,0|1,1,0]=4 7644 B14R1.154 NC(=O)CCSc1cccc(c1F)O 62a_100000744528_100009817021 [0,2,0,0,0,0|1,1,0]=4 7645 B14R1.154 NC(=O)CCSc1cccc(c1F)O 62a_100009817021_100000744528 [0,2,0,0,0,0|1,1,0]=4 7646 B14R1.154 NC(=O)CCSc1cccc(c1N)Br 62a_100000744528_100010146558 [0,2,0,0,0,0|1,1,0]=4 7647 B14R1.154 NC(=O)CCSc1cccc(c1N)Br 62a_100010146558_100000744528 [0,2,0,0,0,0|1,1,0]=4 7648 B14R1.154 NC(=O)CCSc1cccc(c1N)Cl 62a_100000744528_100010190421 [0,2,0,0,0,0|1,1,0]=4 7649 B14R1.154 NC(=O)CCSc1cccc(c1N)Cl 62a_100010190421_100000744528 [0,2,0,0,0,0|1,1,0]=4 7650 B14R1.154 NC(=O)CCSc1cccc(c1N)F 62a_100000042321_100000744528 [0,2,0,0,0,0|1,1,0]=4 7651 B14R1.154 NC(=O)CCSc1cccc(c1N)F 62a_100000744528_100000042321 [0,2,0,0,0,0|1,1,0]=4 7652 B14R1.154 NC(=O)CCSc1cccc(c1N)N 62a_100015191791_100000744528 [0,2,0,0,0,0|1,1,0]=4 7653 B14R1.154 NC(=O)CCSc1cccc(c1N)O 62a_100000744528_100011934926 [0,2,0,0,0,0|1,1,0]=4 7654 B14R1.154 NC(=O)CCSc1cccc(c1O)Br 62a_100000744528_100010084509 [0,2,0,0,0,0|1,1,0]=4 7655 B14R1.154 NC(=O)CCSc1cccc(c1O)Br 62a_100010084509_100000744528 [0,2,0,0,0,0|1,1,0]=4 7656 B14R1.154 NC(=O)CCSc1cccc(c1O)Cl 62a_100000744528_100010202889 [0,2,0,0,0,0|1,1,0]=4 7657 B14R1.154 NC(=O)CCSc1cccc(c1O)Cl 62a_100010202889_100000744528 [0,2,0,0,0,0|1,1,0]=4 7658 B14R1.154 NC(=O)CCSc1cccc(c1O)F 62a_100000744528_100009813666 [0,2,0,0,0,0|1,1,0]=4 7659 B14R1.154 NC(=O)CCSc1cccc(c1O)F 62a_100009813666_100000744528 [0,2,0,0,0,0|1,1,0]=4 7660 B14R1.154 NC(=O)CCSc1cccc(c1O)N 62a_100000744528_100010084371 [0,2,0,0,0,0|1,1,0]=4 7661 B14R1.154 NC(=O)CCSc1cccc(c1O)N 62a_100011934915_100000744528 [0,2,0,0,0,0|1,1,0]=4 7662 B14R1.154 NC(=O)CCSc1cccc(c1O)O 62a_100000744528_100009815950 [0,2,0,0,0,0|1,1,0]=4 7663 B14R1.154 O=C(O)CNCc1cccc(c1Br)Cl 269956a_100016091260_100010145525 [0,2,0,0,0,0|2,0,0]=4 7664 B14R1.154 O=C(O)CNCc1cccc(c1Br)F 269956a_100016091260_100012351116 [0,2,0,0,0,0|2,0,0]=4 7665 B14R1.154 O=C(O)CNCc1cccc(c1Br)I 269956a_100016091260_100010254545 [0,2,0,0,0,0|2,0,0]=4 7666 B14R1.154 O=C(O)CNCc1cccc(c1Cl)Br 269956a_100016091260_100012349491 [0,2,0,0,0,0|2,0,0]=4 7667 B14R1.154 O=C(O)CNCc1cccc(c1Cl)Cl 269956a_100016091260_100000720918 [0,2,0,0,0,0|2,0,0]=4 7668 B14R1.154 O=C(O)CNCc1cccc(c1Cl)F 269956a_100016091260_100000696688 [0,2,0,0,0,0|2,0,0]=4 7669 B14R1.154 O=C(O)CNCc1cccc(c1F)Br 269956a_100016091260_100012356506 [0,2,0,0,0,0|2,0,0]=4 7670 B14R1.154 O=C(O)CNCc1cccc(c1F)Cl 269956a_100016091260_100000716733 [0,2,0,0,0,0|2,0,0]=4 7671 B14R1.154 O=C(O)CNCc1cccc(c1F)F 269956a_100016091260_100000217499 [0,2,0,0,0,0|2,0,0]=4 7672 B14R1.154 O=C(O)CNCc1cccc(c1I)F 269956a_100016091260_100010149603 [0,2,0,0,0,0|2,0,0]=4 7673 B14R1.154 [13CH3]C(=O)CCOc1cccc(c1Cl)Cl 1458a_100000741501_200025704644 [0,2,0,0,0,0|1,0,0]=3 7674 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)C 34a_100011380479_100000730704 [0,2,0,0,0,0|2,0,0]=4 7675 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)C 7a_100011380479_100000730704 [0,2,0,0,0,0|2,0,0]=4 7676 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000730704 [0,2,0,0,0,0|2,0,0]=4 7677 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000730704 [0,2,0,0,0,0|2,0,0]=4 7678 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)F 34a_100000693481_100000730704 [0,2,0,0,0,0|2,0,0]=4 7679 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)F 7a_100000693481_100000730704 [0,2,0,0,0,0|2,0,0]=4 7680 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)I 34a_100000701344_100000730704 [0,2,0,0,0,0|2,0,0]=4 7681 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)I 7a_100000701344_100000730704 [0,2,0,0,0,0|2,0,0]=4 7682 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)N 34a_100012001276_100000730704 [0,2,0,0,0,0|2,0,0]=4 7683 B14R1.687 C=C(C)CCOc1ccc(c(c1)Br)N 7a_100012001276_100000730704 [0,2,0,0,0,0|2,0,0]=4 7684 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)Br 34a_100000690111_100000730704 [0,2,0,0,0,0|2,0,0]=4 7685 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)Br 7a_100000690111_100000730704 [0,2,0,0,0,0|2,0,0]=4 7686 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)C 34a_100000210932_100000730704 [0,2,0,0,0,0|2,0,0]=4 7687 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)C 7a_100000210932_100000730704 [0,2,0,0,0,0|2,0,0]=4 7688 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000730704 [0,2,0,0,0,0|2,0,0]=4 7689 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000730704 [0,2,0,0,0,0|2,0,0]=4 7690 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)F 34a_100000751312_100000730704 [0,2,0,0,0,0|2,0,0]=4 7691 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)F 7a_100000751312_100000730704 [0,2,0,0,0,0|2,0,0]=4 7692 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)I 34a_100000729255_100000730704 [0,2,0,0,0,0|2,0,0]=4 7693 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)I 7a_100000729255_100000730704 [0,2,0,0,0,0|2,0,0]=4 7694 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)N 34a_100000756630_100000730704 [0,2,0,0,0,0|2,0,0]=4 7695 B14R1.687 C=C(C)CCOc1ccc(c(c1)C)N 7a_100000756630_100000730704 [0,2,0,0,0,0|2,0,0]=4 7696 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000730704 [0,2,0,0,0,0|2,0,0]=4 7697 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000730704 [0,2,0,0,0,0|2,0,0]=4 7698 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000730704 [0,2,0,0,0,0|2,0,0]=4 7699 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000730704 [0,2,0,0,0,0|2,0,0]=4 7700 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000730704 [0,2,0,0,0,0|2,0,0]=4 7701 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000730704 [0,2,0,0,0,0|2,0,0]=4 7702 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000730704 [0,2,0,0,0,0|2,0,0]=4 7703 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000730704 [0,2,0,0,0,0|2,0,0]=4 7704 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000730704 [0,2,0,0,0,0|2,0,0]=4 7705 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000730704 [0,2,0,0,0,0|2,0,0]=4 7706 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000730704 [0,2,0,0,0,0|2,0,0]=4 7707 B14R1.687 C=C(C)CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000730704 [0,2,0,0,0,0|2,0,0]=4 7708 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)Br 34a_100000755031_100000730704 [0,2,0,0,0,0|2,0,0]=4 7709 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)Br 7a_100000755031_100000730704 [0,2,0,0,0,0|2,0,0]=4 7710 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)C 34a_100000722560_100000730704 [0,2,0,0,0,0|2,0,0]=4 7711 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)C 7a_100000722560_100000730704 [0,2,0,0,0,0|2,0,0]=4 7712 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000730704 [0,2,0,0,0,0|2,0,0]=4 7713 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000730704 [0,2,0,0,0,0|2,0,0]=4 7714 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)F 34a_100000181275_100000730704 [0,2,0,0,0,0|2,0,0]=4 7715 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)F 7a_100000181275_100000730704 [0,2,0,0,0,0|2,0,0]=4 7716 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)I 34a_100009990212_100000730704 [0,2,0,0,0,0|2,0,0]=4 7717 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)I 7a_100009990212_100000730704 [0,2,0,0,0,0|2,0,0]=4 7718 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)N 34a_100000759473_100000730704 [0,2,0,0,0,0|2,0,0]=4 7719 B14R1.687 C=C(C)CCOc1ccc(c(c1)F)N 7a_100000759473_100000730704 [0,2,0,0,0,0|2,0,0]=4 7720 B14R1.687 C=C(C)CCOc1ccc(c(c1)I)Br 34a_100012339312_100000730704 [0,2,0,0,0,0|2,0,0]=4 7721 B14R1.687 C=C(C)CCOc1ccc(c(c1)I)Br 7a_100012339312_100000730704 [0,2,0,0,0,0|2,0,0]=4 7722 B14R1.687 C=C(C)CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000730704 [0,2,0,0,0,0|2,0,0]=4 7723 B14R1.687 C=C(C)CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000730704 [0,2,0,0,0,0|2,0,0]=4 7724 B14R1.687 C=C(C)CCOc1ccc(c(c1)I)N 34a_100010084370_100000730704 [0,2,0,0,0,0|2,0,0]=4 7725 B14R1.687 C=C(C)CCOc1ccc(c(c1)I)N 7a_100010084370_100000730704 [0,2,0,0,0,0|2,0,0]=4 7726 B14R1.687 C=C(C)CCOc1ccc(c(c1)N)Br 34a_100011999798_100000730704 [0,2,0,0,0,0|2,0,0]=4 7727 B14R1.687 C=C(C)CCOc1ccc(c(c1)N)Br 7a_100011999798_100000730704 [0,2,0,0,0,0|2,0,0]=4 7728 B14R1.687 C=C(C)CCOc1ccc(c(c1)N)C 34a_100011216113_100000730704 [0,2,0,0,0,0|2,0,0]=4 7729 B14R1.687 C=C(C)CCOc1ccc(c(c1)N)C 7a_100011216113_100000730704 [0,2,0,0,0,0|2,0,0]=4 7730 B14R1.687 C=C(C)CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000730704 [0,2,0,0,0,0|2,0,0]=4 7731 B14R1.687 C=C(C)CCOc1ccc(c(c1)N)F 34a_100012017239_100000730704 [0,2,0,0,0,0|2,0,0]=4 7732 B14R1.687 C=C(C)CCOc1ccc(c(c1)N)F 7a_100012017239_100000730704 [0,2,0,0,0,0|2,0,0]=4 7733 B14R1.687 C=C(C)CCOc1ccc(c(c1)N)N 34a_100025771000_100000730704 [0,2,0,0,0,0|2,0,0]=4 7734 B14R1.687 CC(=O)CCCc1ccc(c(c1)C)F 1458a_100011998530_200000210301 [0,2,0,0,0,0|2,0,0]=4 7735 B14R1.687 CC(=O)CCNc1ccc(c(c1)Br)Br 7a_100011306057_100000053229 [0,2,0,0,0,0|2,0,0]=4 7736 B14R1.687 CC(=O)CCNc1ccc(c(c1)Br)C 7a_100000736455_100000053229 [0,2,0,0,0,0|2,0,0]=4 7737 B14R1.687 CC(=O)CCNc1ccc(c(c1)Br)F 7a_100000760356_100000053229 [0,2,0,0,0,0|2,0,0]=4 7738 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)Br 7a_100000210723_100000053229 [0,2,0,0,0,0|2,0,0]=4 7739 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)C 7a_100000724040_100000053229 [0,2,0,0,0,0|2,0,0]=4 7740 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000053229 [0,2,0,0,0,0|2,0,0]=4 7741 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)F 7a_100000750164_100000053229 [0,2,0,0,0,0|2,0,0]=4 7742 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)I 7a_100000198070_100000053229 [0,2,0,0,0,0|2,0,0]=4 7743 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)O 7a_100011218179_100000053229 [0,2,0,0,0,0|2,0,0]=4 7744 B14R1.687 CC(=O)CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000053229 [0,2,0,0,0,0|2,0,0]=4 7745 B14R1.687 CC(=O)CCNc1ccc(c(c1)Cl)C 7a_100000188892_100000053229 [0,2,0,0,0,0|2,0,0]=4 7746 B14R1.687 CC(=O)CCNc1ccc(c(c1)Cl)F 7a_100000211060_100000053229 [0,2,0,0,0,0|2,0,0]=4 7747 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)Br 7a_100000759894_100000053229 [0,2,0,0,0,0|2,0,0]=4 7748 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)C 7a_100000210958_100000053229 [0,2,0,0,0,0|2,0,0]=4 7749 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)Cl 7a_100000739366_100000053229 [0,2,0,0,0,0|2,0,0]=4 7750 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)F 7a_100000210724_100000053229 [0,2,0,0,0,0|2,0,0]=4 7751 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)I 7a_100011356925_100000053229 [0,2,0,0,0,0|2,0,0]=4 7752 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)O 7a_100011220035_100000053229 [0,2,0,0,0,0|2,0,0]=4 7753 B14R1.687 CC(=O)CCNc1ccc(c(c1)I)C 7a_100000184131_100000053229 [0,2,0,0,0,0|2,0,0]=4 7754 B14R1.687 CC(=O)CCNc1ccc(c(c1)I)F 7a_114828291077_100000053229 [0,2,0,0,0,0|2,0,0]=4 7755 B14R1.687 CC(=O)CCNc1ccc(c(c1)O)C 7a_100000759471_100000053229 [0,2,0,0,0,0|2,0,0]=4 7756 B14R1.687 CC(=O)CCNc1ccc(c(c1)O)F 7a_100012017398_100000053229 [0,2,0,0,0,0|2,0,0]=4 7757 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)C 7a_100011380479_100000053229 [0,2,0,0,0,0|1,0,0]=3 7758 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000053229 [0,2,0,0,0,0|1,0,0]=3 7759 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)F 7a_100000693481_100000053229 [0,2,0,0,0,0|1,0,0]=3 7760 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)I 7a_100000701344_100000053229 [0,2,0,0,0,0|1,0,0]=3 7761 B14R1.687 CC(=O)CCOc1ccc(c(c1)Br)N 7a_100012001276_100000053229 [0,2,0,0,0,0|1,0,0]=3 7762 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)Br 7a_100000690111_100000053229 [0,2,0,0,0,0|1,0,0]=3 7763 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)C 1458a_100000070787_200011210794 [0,2,0,0,0,0|1,0,0]=3 7764 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)C 7a_100000210932_100000053229 [0,2,0,0,0,0|1,0,0]=3 7765 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000053229 [0,2,0,0,0,0|1,0,0]=3 7766 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)F 7a_100000751312_100000053229 [0,2,0,0,0,0|1,0,0]=3 7767 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)I 7a_100000729255_100000053229 [0,2,0,0,0,0|1,0,0]=3 7768 B14R1.687 CC(=O)CCOc1ccc(c(c1)C)N 7a_100000756630_100000053229 [0,2,0,0,0,0|1,0,0]=3 7769 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000053229 [0,2,0,0,0,0|1,0,0]=3 7770 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000053229 [0,2,0,0,0,0|1,0,0]=3 7771 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000053229 [0,2,0,0,0,0|1,0,0]=3 7772 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)F 1458a_100000070787_100011936913 [0,2,0,0,0,0|1,0,0]=3 7773 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000053229 [0,2,0,0,0,0|1,0,0]=3 7774 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000053229 [0,2,0,0,0,0|1,0,0]=3 7775 B14R1.687 CC(=O)CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000053229 [0,2,0,0,0,0|1,0,0]=3 7776 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)Br 7a_100000755031_100000053229 [0,2,0,0,0,0|1,0,0]=3 7777 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)C 7a_100000722560_100000053229 [0,2,0,0,0,0|1,0,0]=3 7778 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000053229 [0,2,0,0,0,0|1,0,0]=3 7779 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)F 7a_100000181275_100000053229 [0,2,0,0,0,0|1,0,0]=3 7780 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)I 7a_100009990212_100000053229 [0,2,0,0,0,0|1,0,0]=3 7781 B14R1.687 CC(=O)CCOc1ccc(c(c1)F)N 7a_100000759473_100000053229 [0,2,0,0,0,0|1,0,0]=3 7782 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)Br 7a_100012339312_100000053229 [0,2,0,0,0,0|1,0,0]=3 7783 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000053229 [0,2,0,0,0,0|1,0,0]=3 7784 B14R1.687 CC(=O)CCOc1ccc(c(c1)I)N 7a_100010084370_100000053229 [0,2,0,0,0,0|1,0,0]=3 7785 B14R1.687 CC(=O)CCOc1ccc(c(c1)N)Br 7a_100011999798_100000053229 [0,2,0,0,0,0|1,0,0]=3 7786 B14R1.687 CC(=O)CCOc1ccc(c(c1)N)C 7a_100011216113_100000053229 [0,2,0,0,0,0|1,0,0]=3 7787 B14R1.687 CC(=O)CCOc1ccc(c(c1)N)F 7a_100012017239_100000053229 [0,2,0,0,0,0|1,0,0]=3 7788 B14R1.687 CC(=O)CCOc1cnc(c(c1)Br)C 7a_100009819603_100000053229 [0,2,0,0,0,0|2,0,0]=4 7789 B14R1.687 CC(=O)CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000053229 [0,2,0,0,0,0|2,0,0]=4 7790 B14R1.687 CC(=O)CCOc1cnc(c(c1)Br)F 7a_100009817267_100000053229 [0,2,0,0,0,0|2,0,0]=4 7791 B14R1.687 CC(=O)CCOc1cnc(c(c1)C)Br 7a_100012000486_100000053229 [0,2,0,0,0,0|2,0,0]=4 7792 B14R1.687 CC(=O)CCOc1cnc(c(c1)C)C 7a_100009854398_100000053229 [0,2,0,0,0,0|2,0,0]=4 7793 B14R1.687 CC(=O)CCOc1cnc(c(c1)C)Cl 7a_100012002680_100000053229 [0,2,0,0,0,0|2,0,0]=4 7794 B14R1.687 CC(=O)CCOc1cnc(c(c1)C)F 7a_100000094615_100000053229 [0,2,0,0,0,0|2,0,0]=4 7795 B14R1.687 CC(=O)CCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000053229 [0,2,0,0,0,0|2,0,0]=4 7796 B14R1.687 CC(=O)CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000053229 [0,2,0,0,0,0|2,0,0]=4 7797 B14R1.687 CC(=O)CCOc1cnc(c(c1)Cl)F 7a_100000087088_100000053229 [0,2,0,0,0,0|2,0,0]=4 7798 B14R1.687 CC(=O)CCOc1cnc(c(c1)F)Cl 7a_100000063512_100000053229 [0,2,0,0,0,0|2,0,0]=4 7799 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)Br 62a_100000053229_100012356285 [0,2,0,0,0,0|1,1,0]=4 7800 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000053229 [0,2,0,0,0,0|1,1,0]=4 7801 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)C 62a_100000053229_100011847877 [0,2,0,0,0,0|1,1,0]=4 7802 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)C 62a_100011847877_100000053229 [0,2,0,0,0,0|1,1,0]=4 7803 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)Cl 62a_100000053229_100012353702 [0,2,0,0,0,0|1,1,0]=4 7804 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000053229 [0,2,0,0,0,0|1,1,0]=4 7805 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)F 62a_100000053229_100012047266 [0,2,0,0,0,0|1,1,0]=4 7806 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)F 62a_100012047266_100000053229 [0,2,0,0,0,0|1,1,0]=4 7807 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)N 62a_100000053229_100000750455 [0,2,0,0,0,0|1,1,0]=4 7808 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)N 62a_100000750455_100000053229 [0,2,0,0,0,0|1,1,0]=4 7809 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)O 62a_100000053229_100012361655 [0,2,0,0,0,0|1,1,0]=4 7810 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000053229 [0,2,0,0,0,0|1,1,0]=4 7811 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)Br 62a_100000053229_100009813585 [0,2,0,0,0,0|1,1,0]=4 7812 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)Br 62a_100009813585_100000053229 [0,2,0,0,0,0|1,1,0]=4 7813 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)C 1458a_100000189619_200000210301 [0,2,0,0,0,0|1,1,0]=4 7814 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)C 62a_100000053229_100011215607 [0,2,0,0,0,0|1,1,0]=4 7815 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)C 62a_100011215607_100000053229 [0,2,0,0,0,0|1,1,0]=4 7816 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000053229 [0,2,0,0,0,0|1,1,0]=4 7817 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)Cl 62a_100000053229_100000049509 [0,2,0,0,0,0|1,1,0]=4 7818 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)F 62a_100000053229_100011218330 [0,2,0,0,0,0|1,1,0]=4 7819 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)F 62a_100011218330_100000053229 [0,2,0,0,0,0|1,1,0]=4 7820 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)N 62a_100000053229_100000211769 [0,2,0,0,0,0|1,1,0]=4 7821 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)N 62a_100000211769_100000053229 [0,2,0,0,0,0|1,1,0]=4 7822 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)O 62a_100000053229_100000186361 [0,2,0,0,0,0|1,1,0]=4 7823 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)Br 62a_100000053229_100012047281 [0,2,0,0,0,0|1,1,0]=4 7824 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000053229 [0,2,0,0,0,0|1,1,0]=4 7825 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)C 62a_100000053229_100011216363 [0,2,0,0,0,0|1,1,0]=4 7826 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000053229 [0,2,0,0,0,0|1,1,0]=4 7827 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)Cl 62a_100000053229_100011214914 [0,2,0,0,0,0|1,1,0]=4 7828 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000053229 [0,2,0,0,0,0|1,1,0]=4 7829 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)F 62a_100000053229_100011215976 [0,2,0,0,0,0|1,1,0]=4 7830 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000053229 [0,2,0,0,0,0|1,1,0]=4 7831 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)N 62a_100000053229_100011218065 [0,2,0,0,0,0|1,1,0]=4 7832 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000053229 [0,2,0,0,0,0|1,1,0]=4 7833 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)O 62a_100000053229_100012360047 [0,2,0,0,0,0|1,1,0]=4 7834 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000053229 [0,2,0,0,0,0|1,1,0]=4 7835 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)Br 62a_100000053229_100000685389 [0,2,0,0,0,0|1,1,0]=4 7836 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)Br 62a_100000685389_100000053229 [0,2,0,0,0,0|1,1,0]=4 7837 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)C 62a_100000053229_100000720648 [0,2,0,0,0,0|1,1,0]=4 7838 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)C 62a_100000720648_100000053229 [0,2,0,0,0,0|1,1,0]=4 7839 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)Cl 62a_100000053229_100011216805 [0,2,0,0,0,0|1,1,0]=4 7840 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000053229 [0,2,0,0,0,0|1,1,0]=4 7841 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)F 62a_100000053229_100000703953 [0,2,0,0,0,0|1,1,0]=4 7842 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)F 62a_100000703953_100000053229 [0,2,0,0,0,0|1,1,0]=4 7843 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)N 62a_100000053229_100011215594 [0,2,0,0,0,0|1,1,0]=4 7844 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)N 62a_100011215594_100000053229 [0,2,0,0,0,0|1,1,0]=4 7845 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)O 62a_100000053229_100000185481 [0,2,0,0,0,0|1,1,0]=4 7846 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)O 62a_100000185481_100000053229 [0,2,0,0,0,0|1,1,0]=4 7847 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)Br 62a_100000053229_100000750456 [0,2,0,0,0,0|1,1,0]=4 7848 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)Br 62a_100000750456_100000053229 [0,2,0,0,0,0|1,1,0]=4 7849 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)C 62a_100000053229_100000761890 [0,2,0,0,0,0|1,1,0]=4 7850 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)C 62a_100000761890_100000053229 [0,2,0,0,0,0|1,1,0]=4 7851 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)Cl 62a_100000053229_200000761891 [0,2,0,0,0,0|1,1,0]=4 7852 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000053229 [0,2,0,0,0,0|1,1,0]=4 7853 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)F 62a_100000053229_100000740924 [0,2,0,0,0,0|1,1,0]=4 7854 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)F 62a_100000740924_100000053229 [0,2,0,0,0,0|1,1,0]=4 7855 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)N 62a_100000053229_100011534411 [0,2,0,0,0,0|1,1,0]=4 7856 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)N 62a_100000741789_100000053229 [0,2,0,0,0,0|1,1,0]=4 7857 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)O 62a_100000053229_100000752626 [0,2,0,0,0,0|1,1,0]=4 7858 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)O 62a_100000752626_100000053229 [0,2,0,0,0,0|1,1,0]=4 7859 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Br 62a_100000053229_100012356990 [0,2,0,0,0,0|1,1,0]=4 7860 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Br 62a_100012356990_100000053229 [0,2,0,0,0,0|1,1,0]=4 7861 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)C 62a_100000053229_100000685420 [0,2,0,0,0,0|1,1,0]=4 7862 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)C 62a_100000685420_100000053229 [0,2,0,0,0,0|1,1,0]=4 7863 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Cl 62a_100000053229_100011356854 [0,2,0,0,0,0|1,1,0]=4 7864 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000053229 [0,2,0,0,0,0|1,1,0]=4 7865 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)F 62a_100000053229_100000686035 [0,2,0,0,0,0|1,1,0]=4 7866 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)F 62a_100000686035_100000053229 [0,2,0,0,0,0|1,1,0]=4 7867 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)N 62a_100000053229_100000739049 [0,2,0,0,0,0|1,1,0]=4 7868 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)N 62a_100000739049_100000053229 [0,2,0,0,0,0|1,1,0]=4 7869 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)O 62a_100000053229_100009813601 [0,2,0,0,0,0|1,1,0]=4 7870 B14R1.687 CC(=O)OCOc1ccc(c(c1)Br)C 34a_100011380479_100009813279 [0,2,0,0,0,0|2,0,0]=4 7871 B14R1.687 CC(=O)OCOc1ccc(c(c1)Br)Cl 34a_100011933957_100009813279 [0,2,0,0,0,0|2,0,0]=4 7872 B14R1.687 CC(=O)OCOc1ccc(c(c1)Br)F 34a_100000693481_100009813279 [0,2,0,0,0,0|2,0,0]=4 7873 B14R1.687 CC(=O)OCOc1ccc(c(c1)Br)I 34a_100000701344_100009813279 [0,2,0,0,0,0|2,0,0]=4 7874 B14R1.687 CC(=O)OCOc1ccc(c(c1)Br)N 34a_100012001276_100009813279 [0,2,0,0,0,0|2,0,0]=4 7875 B14R1.687 CC(=O)OCOc1ccc(c(c1)C)Br 34a_100000690111_100009813279 [0,2,0,0,0,0|2,0,0]=4 7876 B14R1.687 CC(=O)OCOc1ccc(c(c1)C)C 34a_100000210932_100009813279 [0,2,0,0,0,0|2,0,0]=4 7877 B14R1.687 CC(=O)OCOc1ccc(c(c1)C)Cl 34a_100000211092_100009813279 [0,2,0,0,0,0|2,0,0]=4 7878 B14R1.687 CC(=O)OCOc1ccc(c(c1)C)F 34a_100000751312_100009813279 [0,2,0,0,0,0|2,0,0]=4 7879 B14R1.687 CC(=O)OCOc1ccc(c(c1)C)I 34a_100000729255_100009813279 [0,2,0,0,0,0|2,0,0]=4 7880 B14R1.687 CC(=O)OCOc1ccc(c(c1)C)N 34a_100000756630_100009813279 [0,2,0,0,0,0|2,0,0]=4 7881 B14R1.687 CC(=O)OCOc1ccc(c(c1)Cl)Br 34a_100011215161_100009813279 [0,2,0,0,0,0|2,0,0]=4 7882 B14R1.687 CC(=O)OCOc1ccc(c(c1)Cl)C 34a_100011265682_100009813279 [0,2,0,0,0,0|2,0,0]=4 7883 B14R1.687 CC(=O)OCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100009813279 [0,2,0,0,0,0|2,0,0]=4 7884 B14R1.687 CC(=O)OCOc1ccc(c(c1)Cl)F 34a_100000211030_100009813279 [0,2,0,0,0,0|2,0,0]=4 7885 B14R1.687 CC(=O)OCOc1ccc(c(c1)Cl)I 34a_100000047559_100009813279 [0,2,0,0,0,0|2,0,0]=4 7886 B14R1.687 CC(=O)OCOc1ccc(c(c1)Cl)N 34a_100011215599_100009813279 [0,2,0,0,0,0|2,0,0]=4 7887 B14R1.687 CC(=O)OCOc1ccc(c(c1)F)Br 34a_100000755031_100009813279 [0,2,0,0,0,0|2,0,0]=4 7888 B14R1.687 CC(=O)OCOc1ccc(c(c1)F)C 34a_100000722560_100009813279 [0,2,0,0,0,0|2,0,0]=4 7889 B14R1.687 CC(=O)OCOc1ccc(c(c1)F)Cl 34a_100000691581_100009813279 [0,2,0,0,0,0|2,0,0]=4 7890 B14R1.687 CC(=O)OCOc1ccc(c(c1)F)F 34a_100000181275_100009813279 [0,2,0,0,0,0|2,0,0]=4 7891 B14R1.687 CC(=O)OCOc1ccc(c(c1)F)I 34a_100009990212_100009813279 [0,2,0,0,0,0|2,0,0]=4 7892 B14R1.687 CC(=O)OCOc1ccc(c(c1)F)N 34a_100000759473_100009813279 [0,2,0,0,0,0|2,0,0]=4 7893 B14R1.687 CC(=O)OCOc1ccc(c(c1)I)Br 34a_100012339312_100009813279 [0,2,0,0,0,0|2,0,0]=4 7894 B14R1.687 CC(=O)OCOc1ccc(c(c1)I)Cl 34a_100000049588_100009813279 [0,2,0,0,0,0|2,0,0]=4 7895 B14R1.687 CC(=O)OCOc1ccc(c(c1)I)N 34a_100010084370_100009813279 [0,2,0,0,0,0|2,0,0]=4 7896 B14R1.687 CC(=O)OCOc1ccc(c(c1)N)Br 34a_100011999798_100009813279 [0,2,0,0,0,0|2,0,0]=4 7897 B14R1.687 CC(=O)OCOc1ccc(c(c1)N)C 34a_100011216113_100009813279 [0,2,0,0,0,0|2,0,0]=4 7898 B14R1.687 CC(=O)OCOc1ccc(c(c1)N)Cl 34a_100011934297_100009813279 [0,2,0,0,0,0|2,0,0]=4 7899 B14R1.687 CC(=O)OCOc1ccc(c(c1)N)F 34a_100012017239_100009813279 [0,2,0,0,0,0|2,0,0]=4 7900 B14R1.687 CC(=O)OCOc1ccc(c(c1)N)N 34a_100025771000_100009813279 [0,2,0,0,0,0|2,0,0]=4 7901 B14R1.687 CC(O)CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100012276601 [0,2,0,0,0,0|1,0,1]=4 7902 B14R1.687 CC(O)CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100012276601 [0,2,0,0,0,0|1,0,1]=4 7903 B14R1.687 CC(O)CCOc1ccc(c(c1)Br)F 34a_100000693481_100012276601 [0,2,0,0,0,0|1,0,1]=4 7904 B14R1.687 CC(O)CCOc1ccc(c(c1)Br)F 7a_100000693481_100012276601 [0,2,0,0,0,0|1,0,1]=4 7905 B14R1.687 CC(O)CCOc1ccc(c(c1)Br)I 34a_100000701344_100012276601 [0,2,0,0,0,0|1,0,1]=4 7906 B14R1.687 CC(O)CCOc1ccc(c(c1)Br)I 7a_100000701344_100012276601 [0,2,0,0,0,0|1,0,1]=4 7907 B14R1.687 CC(O)CCOc1ccc(c(c1)Br)N 34a_100012001276_100012276601 [0,2,0,0,0,0|1,0,1]=4 7908 B14R1.687 CC(O)CCOc1ccc(c(c1)Br)N 7a_100012001276_100012276601 [0,2,0,0,0,0|1,0,1]=4 7909 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100012276601 [0,2,0,0,0,0|1,0,1]=4 7910 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100012276601 [0,2,0,0,0,0|1,0,1]=4 7911 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100012276601 [0,2,0,0,0,0|1,0,1]=4 7912 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100012276601 [0,2,0,0,0,0|1,0,1]=4 7913 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)F 34a_100000211030_100012276601 [0,2,0,0,0,0|1,0,1]=4 7914 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)F 7a_100000211030_100012276601 [0,2,0,0,0,0|1,0,1]=4 7915 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)I 34a_100000047559_100012276601 [0,2,0,0,0,0|1,0,1]=4 7916 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)I 7a_100000047559_100012276601 [0,2,0,0,0,0|1,0,1]=4 7917 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)N 34a_100011215599_100012276601 [0,2,0,0,0,0|1,0,1]=4 7918 B14R1.687 CC(O)CCOc1ccc(c(c1)Cl)N 7a_100011215599_100012276601 [0,2,0,0,0,0|1,0,1]=4 7919 B14R1.687 CC(O)CCOc1ccc(c(c1)F)Br 34a_100000755031_100012276601 [0,2,0,0,0,0|1,0,1]=4 7920 B14R1.687 CC(O)CCOc1ccc(c(c1)F)Br 7a_100000755031_100012276601 [0,2,0,0,0,0|1,0,1]=4 7921 B14R1.687 CC(O)CCOc1ccc(c(c1)F)Cl 34a_100000691581_100012276601 [0,2,0,0,0,0|1,0,1]=4 7922 B14R1.687 CC(O)CCOc1ccc(c(c1)F)Cl 7a_100000691581_100012276601 [0,2,0,0,0,0|1,0,1]=4 7923 B14R1.687 CC(O)CCOc1ccc(c(c1)F)F 34a_100000181275_100012276601 [0,2,0,0,0,0|1,0,1]=4 7924 B14R1.687 CC(O)CCOc1ccc(c(c1)F)F 7a_100000181275_100012276601 [0,2,0,0,0,0|1,0,1]=4 7925 B14R1.687 CC(O)CCOc1ccc(c(c1)F)I 34a_100009990212_100012276601 [0,2,0,0,0,0|1,0,1]=4 7926 B14R1.687 CC(O)CCOc1ccc(c(c1)F)I 7a_100009990212_100012276601 [0,2,0,0,0,0|1,0,1]=4 7927 B14R1.687 CC(O)CCOc1ccc(c(c1)F)N 34a_100000759473_100012276601 [0,2,0,0,0,0|1,0,1]=4 7928 B14R1.687 CC(O)CCOc1ccc(c(c1)F)N 7a_100000759473_100012276601 [0,2,0,0,0,0|1,0,1]=4 7929 B14R1.687 CC(O)CCOc1ccc(c(c1)I)Br 34a_100012339312_100012276601 [0,2,0,0,0,0|1,0,1]=4 7930 B14R1.687 CC(O)CCOc1ccc(c(c1)I)Br 7a_100012339312_100012276601 [0,2,0,0,0,0|1,0,1]=4 7931 B14R1.687 CC(O)CCOc1ccc(c(c1)I)Cl 34a_100000049588_100012276601 [0,2,0,0,0,0|1,0,1]=4 7932 B14R1.687 CC(O)CCOc1ccc(c(c1)I)Cl 7a_100000049588_100012276601 [0,2,0,0,0,0|1,0,1]=4 7933 B14R1.687 CC(O)CCOc1ccc(c(c1)I)N 34a_100010084370_100012276601 [0,2,0,0,0,0|1,0,1]=4 7934 B14R1.687 CC(O)CCOc1ccc(c(c1)I)N 7a_100010084370_100012276601 [0,2,0,0,0,0|1,0,1]=4 7935 B14R1.687 CC(O)CCOc1ccc(c(c1)N)Br 34a_100011999798_100012276601 [0,2,0,0,0,0|1,0,1]=4 7936 B14R1.687 CC(O)CCOc1ccc(c(c1)N)Br 7a_100011999798_100012276601 [0,2,0,0,0,0|1,0,1]=4 7937 B14R1.687 CC(O)CCOc1ccc(c(c1)N)Cl 34a_100011934297_100012276601 [0,2,0,0,0,0|1,0,1]=4 7938 B14R1.687 CC(O)CCOc1ccc(c(c1)N)F 34a_100012017239_100012276601 [0,2,0,0,0,0|1,0,1]=4 7939 B14R1.687 CC(O)CCOc1ccc(c(c1)N)F 7a_100012017239_100012276601 [0,2,0,0,0,0|1,0,1]=4 7940 B14R1.687 CC(O)CCOc1ccc(c(c1)N)N 34a_100025771000_100012276601 [0,2,0,0,0,0|1,0,1]=4 7941 B14R1.687 Cc1cc(ccc1Br)CNCC(=O)O 269956a_100016091260_100000727479 [0,2,0,0,0,0|2,0,0]=4 7942 B14R1.687 Cc1cc(ccc1Br)NCCC(=O)N 2230a_100000210723_100000744528 [0,2,0,0,0,0|2,0,0]=4 7943 B14R1.687 Cc1cc(ccc1Br)NCCC(=O)N 34a_100000210723_100000731001 [0,2,0,0,0,0|2,0,0]=4 7944 B14R1.687 Cc1cc(ccc1Br)NCCC(=O)N 7a_100000210723_100000744528 [0,2,0,0,0,0|2,0,0]=4 7945 B14R1.687 Cc1cc(ccc1Br)OCCC(=O)N 34a_100000690111_100000731001 [0,2,0,0,0,0|1,0,0]=3 7946 B14R1.687 Cc1cc(ccc1Br)OCCC(=O)N 7a_100000690111_100000744528 [0,2,0,0,0,0|1,0,0]=3 7947 B14R1.687 Cc1cc(ccc1Br)OCCC(C)O 34a_100000690111_100012276601 [0,2,0,0,0,0|1,0,1]=4 7948 B14R1.687 Cc1cc(ccc1Br)OCCC(C)O 7a_100000690111_100012276601 [0,2,0,0,0,0|1,0,1]=4 7949 B14R1.687 Cc1cc(ccc1Br)SCCC(=O)N 62a_100000744528_100009813585 [0,2,0,0,0,0|1,1,0]=4 7950 B14R1.687 Cc1cc(ccc1Br)SCCC(=O)N 62a_100009813585_100000744528 [0,2,0,0,0,0|1,1,0]=4 7951 B14R1.687 Cc1cc(ccc1Cl)CNCC(=O)O 269956a_100016091260_100012184735 [0,2,0,0,0,0|2,0,0]=4 7952 B14R1.687 Cc1cc(ccc1Cl)NCCC(=O)N 2230a_100000187808_100000744528 [0,2,0,0,0,0|2,0,0]=4 7953 B14R1.687 Cc1cc(ccc1Cl)NCCC(=O)N 34a_100000187808_100000731001 [0,2,0,0,0,0|2,0,0]=4 7954 B14R1.687 Cc1cc(ccc1Cl)NCCC(=O)N 7a_100000187808_100000744528 [0,2,0,0,0,0|2,0,0]=4 7955 B14R1.687 Cc1cc(ccc1Cl)OCCC(=O)N 34a_100000211092_100000731001 [0,2,0,0,0,0|1,0,0]=3 7956 B14R1.687 Cc1cc(ccc1Cl)OCCC(=O)N 7a_100000211092_100000744528 [0,2,0,0,0,0|1,0,0]=3 7957 B14R1.687 Cc1cc(ccc1Cl)OCCC(C)O 34a_100000211092_100012276601 [0,2,0,0,0,0|1,0,1]=4 7958 B14R1.687 Cc1cc(ccc1Cl)OCCC(C)O 7a_100000211092_100012276601 [0,2,0,0,0,0|1,0,1]=4 7959 B14R1.687 Cc1cc(ccc1Cl)SCCC(=O)N 62a_100000049509_100000744528 [0,2,0,0,0,0|1,1,0]=4 7960 B14R1.687 Cc1cc(ccc1Cl)SCCC(=O)N 62a_100000744528_100000049509 [0,2,0,0,0,0|1,1,0]=4 7961 B14R1.687 Cc1cc(ccc1F)CCCC(=O)[13CH3] 1458a_100011998530_200025704644 [0,2,0,0,0,0|2,0,0]=4 7962 B14R1.687 Cc1cc(ccc1F)CNCC(=O)O 269956a_100016091260_100011216667 [0,2,0,0,0,0|2,0,0]=4 7963 B14R1.687 Cc1cc(ccc1F)NCCC(=O)N 2230a_100000750164_100000744528 [0,2,0,0,0,0|2,0,0]=4 7964 B14R1.687 Cc1cc(ccc1F)NCCC(=O)N 34a_100000750164_100000731001 [0,2,0,0,0,0|2,0,0]=4 7965 B14R1.687 Cc1cc(ccc1F)NCCC(=O)N 7a_100000750164_100000744528 [0,2,0,0,0,0|2,0,0]=4 7966 B14R1.687 Cc1cc(ccc1F)OCCC(=O)N 34a_100000751312_100000731001 [0,2,0,0,0,0|1,0,0]=3 7967 B14R1.687 Cc1cc(ccc1F)OCCC(=O)N 7a_100000751312_100000744528 [0,2,0,0,0,0|1,0,0]=3 7968 B14R1.687 Cc1cc(ccc1F)OCCC(C)O 34a_100000751312_100012276601 [0,2,0,0,0,0|1,0,1]=4 7969 B14R1.687 Cc1cc(ccc1F)OCCC(C)O 7a_100000751312_100012276601 [0,2,0,0,0,0|1,0,1]=4 7970 B14R1.687 Cc1cc(ccc1F)SCCC(=O)N 62a_100000744528_100011218330 [0,2,0,0,0,0|1,1,0]=4 7971 B14R1.687 Cc1cc(ccc1F)SCCC(=O)N 62a_100011218330_100000744528 [0,2,0,0,0,0|1,1,0]=4 7972 B14R1.687 Cc1cc(ccc1I)NCCC(=O)N 34a_100000198070_100000731001 [0,2,0,0,0,0|2,0,0]=4 7973 B14R1.687 Cc1cc(ccc1I)NCCC(=O)N 7a_100000198070_100000744528 [0,2,0,0,0,0|2,0,0]=4 7974 B14R1.687 Cc1cc(ccc1I)OCCC(=O)N 34a_100000729255_100000731001 [0,2,0,0,0,0|1,0,0]=3 7975 B14R1.687 Cc1cc(ccc1I)OCCC(=O)N 7a_100000729255_100000744528 [0,2,0,0,0,0|1,0,0]=3 7976 B14R1.687 Cc1cc(ccc1I)OCCC(C)O 34a_100000729255_100012276601 [0,2,0,0,0,0|1,0,1]=4 7977 B14R1.687 Cc1cc(ccc1I)OCCC(C)O 7a_100000729255_100012276601 [0,2,0,0,0,0|1,0,1]=4 7978 B14R1.687 Cc1cc(ccc1N)OCCC(=O)N 34a_100000756630_100000731001 [0,2,0,0,0,0|1,0,0]=3 7979 B14R1.687 Cc1cc(ccc1N)OCCC(=O)N 7a_100000756630_100000744528 [0,2,0,0,0,0|1,0,0]=3 7980 B14R1.687 Cc1cc(ccc1N)OCCC(C)O 34a_100000756630_100012276601 [0,2,0,0,0,0|1,0,1]=4 7981 B14R1.687 Cc1cc(ccc1N)OCCC(C)O 7a_100000756630_100012276601 [0,2,0,0,0,0|1,0,1]=4 7982 B14R1.687 Cc1cc(ccc1N)SCCC(=O)N 62a_100000211769_100000744528 [0,2,0,0,0,0|1,1,0]=4 7983 B14R1.687 Cc1cc(ccc1N)SCCC(=O)N 62a_100000744528_100000211769 [0,2,0,0,0,0|1,1,0]=4 7984 B14R1.687 Cc1cc(ccc1O)NCCC(=O)N 34a_100011218179_100000731001 [0,2,0,0,0,0|2,0,0]=4 7985 B14R1.687 Cc1cc(ccc1O)NCCC(=O)N 7a_100011218179_100000744528 [0,2,0,0,0,0|2,0,0]=4 7986 B14R1.687 Cc1cc(ccc1O)SCCC(=O)N 62a_100000744528_100000186361 [0,2,0,0,0,0|1,1,0]=4 7987 B14R1.687 Cc1cc(cnc1Br)OCCC(=O)N 34a_100012000486_100000731001 [0,2,0,0,0,0|2,0,0]=4 7988 B14R1.687 Cc1cc(cnc1Br)OCCC(=O)N 7a_100012000486_100000744528 [0,2,0,0,0,0|2,0,0]=4 7989 B14R1.687 Cc1cc(cnc1C)OCCC(=O)N 34a_100009854398_100000731001 [0,2,0,0,0,0|2,0,0]=4 7990 B14R1.687 Cc1cc(cnc1C)OCCC(=O)N 7a_100009854398_100000744528 [0,2,0,0,0,0|2,0,0]=4 7991 B14R1.687 Cc1cc(cnc1Cl)OCCC(=O)N 34a_100012002680_100000731001 [0,2,0,0,0,0|2,0,0]=4 7992 B14R1.687 Cc1cc(cnc1Cl)OCCC(=O)N 7a_100012002680_100000744528 [0,2,0,0,0,0|2,0,0]=4 7993 B14R1.687 Cc1cc(cnc1F)OCCC(=O)N 34a_100000094615_100000731001 [0,2,0,0,0,0|2,0,0]=4 7994 B14R1.687 Cc1cc(cnc1F)OCCC(=O)N 7a_100000094615_100000744528 [0,2,0,0,0,0|2,0,0]=4 7995 B14R1.687 Cc1cc(ncc1Br)OCCC(=O)N 34a_100000766222_100000731001 [0,2,0,0,0,0|2,0,0]=4 7996 B14R1.687 Cc1cc(ncc1Cl)OCCC(=O)N 34a_200000085746_100000731001 [0,2,0,0,0,0|2,0,0]=4 7997 B14R1.687 Cc1ccc(cc1Br)CNCC(=O)O 269956a_100016091260_100012232412 [0,2,0,0,0,0|2,0,0]=4 7998 B14R1.687 Cc1ccc(cc1Br)NCCC(=O)N 2230a_100000736455_100000744528 [0,2,0,0,0,0|2,0,0]=4 7999 B14R1.687 Cc1ccc(cc1Br)NCCC(=O)N 34a_100000736455_100000731001 [0,2,0,0,0,0|2,0,0]=4 8000 B14R1.687 Cc1ccc(cc1Br)NCCC(=O)N 7a_100000736455_100000744528 [0,2,0,0,0,0|2,0,0]=4 8001 B14R1.687 Cc1ccc(cc1Br)OCCC(=O)N 34a_100011380479_100000731001 [0,2,0,0,0,0|1,0,0]=3 8002 B14R1.687 Cc1ccc(cc1Br)OCCC(=O)N 7a_100011380479_100000744528 [0,2,0,0,0,0|1,0,0]=3 8003 B14R1.687 Cc1ccc(cc1Br)OCCC(C)O 34a_100011380479_100012276601 [0,2,0,0,0,0|1,0,1]=4 8004 B14R1.687 Cc1ccc(cc1Br)OCCC(C)O 7a_100011380479_100012276601 [0,2,0,0,0,0|1,0,1]=4 8005 B14R1.687 Cc1ccc(cc1Br)SCCC(=O)N 62a_100000744528_100011847877 [0,2,0,0,0,0|1,1,0]=4 8006 B14R1.687 Cc1ccc(cc1Br)SCCC(=O)N 62a_100011847877_100000744528 [0,2,0,0,0,0|1,1,0]=4 8007 B14R1.687 Cc1ccc(cc1C)CNCC(=O)O 269956a_100016091260_100000742320 [0,2,0,0,0,0|2,0,0]=4 8008 B14R1.687 Cc1ccc(cc1C)NCCC(=O)N 2230a_100000724040_100000744528 [0,2,0,0,0,0|2,0,0]=4 8009 B14R1.687 Cc1ccc(cc1C)NCCC(=O)N 34a_100000724040_100000731001 [0,2,0,0,0,0|2,0,0]=4 8010 B14R1.687 Cc1ccc(cc1C)NCCC(=O)N 7a_100000724040_100000744528 [0,2,0,0,0,0|2,0,0]=4 8011 B14R1.687 Cc1ccc(cc1C)OCCC(=O)N 34a_100000210932_100000731001 [0,2,0,0,0,0|1,0,0]=3 8012 B14R1.687 Cc1ccc(cc1C)OCCC(=O)N 7a_100000210932_100000744528 [0,2,0,0,0,0|1,0,0]=3 8013 B14R1.687 Cc1ccc(cc1C)OCCC(C)O 34a_100000210932_100012276601 [0,2,0,0,0,0|1,0,1]=4 8014 B14R1.687 Cc1ccc(cc1C)OCCC(C)O 7a_100000210932_100012276601 [0,2,0,0,0,0|1,0,1]=4 8015 B14R1.687 Cc1ccc(cc1C)SCCC(=O)N 62a_100000744528_100011215607 [0,2,0,0,0,0|1,1,0]=4 8016 B14R1.687 Cc1ccc(cc1C)SCCC(=O)N 62a_100011215607_100000744528 [0,2,0,0,0,0|1,1,0]=4 8017 B14R1.687 Cc1ccc(cc1C)SCCC(=O)[13CH3] 1458a_100000189619_200025704644 [0,2,0,0,0,0|1,1,0]=4 8018 B14R1.687 Cc1ccc(cc1Cl)CNCC(=O)O 269956a_100016091260_100011823929 [0,2,0,0,0,0|2,0,0]=4 8019 B14R1.687 Cc1ccc(cc1Cl)NCCC(=O)N 2230a_100000188892_100000744528 [0,2,0,0,0,0|2,0,0]=4 8020 B14R1.687 Cc1ccc(cc1Cl)NCCC(=O)N 34a_100000188892_100000731001 [0,2,0,0,0,0|2,0,0]=4 8021 B14R1.687 Cc1ccc(cc1Cl)NCCC(=O)N 7a_100000188892_100000744528 [0,2,0,0,0,0|2,0,0]=4 8022 B14R1.687 Cc1ccc(cc1Cl)OCCC(=O)N 34a_100011265682_100000731001 [0,2,0,0,0,0|1,0,0]=3 8023 B14R1.687 Cc1ccc(cc1Cl)OCCC(=O)N 7a_100011265682_100000744528 [0,2,0,0,0,0|1,0,0]=3 8024 B14R1.687 Cc1ccc(cc1Cl)OCCC(C)O 34a_100011265682_100012276601 [0,2,0,0,0,0|1,0,1]=4 8025 B14R1.687 Cc1ccc(cc1Cl)OCCC(C)O 7a_100011265682_100012276601 [0,2,0,0,0,0|1,0,1]=4 8026 B14R1.687 Cc1ccc(cc1Cl)SCCC(=O)N 62a_100000744528_100011216363 [0,2,0,0,0,0|1,1,0]=4 8027 B14R1.687 Cc1ccc(cc1Cl)SCCC(=O)N 62a_100011216363_100000744528 [0,2,0,0,0,0|1,1,0]=4 8028 B14R1.687 Cc1ccc(cc1F)CNCC(=O)O 269956a_100016091260_100011217369 [0,2,0,0,0,0|2,0,0]=4 8029 B14R1.687 Cc1ccc(cc1F)NCCC(=O)N 2230a_100000210958_100000744528 [0,2,0,0,0,0|2,0,0]=4 8030 B14R1.687 Cc1ccc(cc1F)NCCC(=O)N 34a_100000210958_100000731001 [0,2,0,0,0,0|2,0,0]=4 8031 B14R1.687 Cc1ccc(cc1F)NCCC(=O)N 7a_100000210958_100000744528 [0,2,0,0,0,0|2,0,0]=4 8032 B14R1.687 Cc1ccc(cc1F)OCCC(=O)N 34a_100000722560_100000731001 [0,2,0,0,0,0|1,0,0]=3 8033 B14R1.687 Cc1ccc(cc1F)OCCC(=O)N 7a_100000722560_100000744528 [0,2,0,0,0,0|1,0,0]=3 8034 B14R1.687 Cc1ccc(cc1F)OCCC(C)O 34a_100000722560_100012276601 [0,2,0,0,0,0|1,0,1]=4 8035 B14R1.687 Cc1ccc(cc1F)OCCC(C)O 7a_100000722560_100012276601 [0,2,0,0,0,0|1,0,1]=4 8036 B14R1.687 Cc1ccc(cc1F)SCCC(=O)N 62a_100000720648_100000744528 [0,2,0,0,0,0|1,1,0]=4 8037 B14R1.687 Cc1ccc(cc1F)SCCC(=O)N 62a_100000744528_100000720648 [0,2,0,0,0,0|1,1,0]=4 8038 B14R1.687 Cc1ccc(cc1I)CNCC(=O)O 269956a_100016091260_100010206137 [0,2,0,0,0,0|2,0,0]=4 8039 B14R1.687 Cc1ccc(cc1I)NCCC(=O)N 34a_100000184131_100000731001 [0,2,0,0,0,0|2,0,0]=4 8040 B14R1.687 Cc1ccc(cc1I)NCCC(=O)N 7a_100000184131_100000744528 [0,2,0,0,0,0|2,0,0]=4 8041 B14R1.687 Cc1ccc(cc1N)OCCC(=O)N 34a_100011216113_100000731001 [0,2,0,0,0,0|1,0,0]=3 8042 B14R1.687 Cc1ccc(cc1N)OCCC(=O)N 7a_100011216113_100000744528 [0,2,0,0,0,0|1,0,0]=3 8043 B14R1.687 Cc1ccc(cc1N)OCCC(C)O 34a_100011216113_100012276601 [0,2,0,0,0,0|1,0,1]=4 8044 B14R1.687 Cc1ccc(cc1N)OCCC(C)O 7a_100011216113_100012276601 [0,2,0,0,0,0|1,0,1]=4 8045 B14R1.687 Cc1ccc(cc1N)SCCC(=O)N 62a_100000744528_100000761890 [0,2,0,0,0,0|1,1,0]=4 8046 B14R1.687 Cc1ccc(cc1N)SCCC(=O)N 62a_100000761890_100000744528 [0,2,0,0,0,0|1,1,0]=4 8047 B14R1.687 Cc1ccc(cc1O)NCCC(=O)N 34a_100000759471_100000731001 [0,2,0,0,0,0|2,0,0]=4 8048 B14R1.687 Cc1ccc(cc1O)NCCC(=O)N 7a_100000759471_100000744528 [0,2,0,0,0,0|2,0,0]=4 8049 B14R1.687 Cc1ccc(cc1O)SCCC(=O)N 62a_100000685420_100000744528 [0,2,0,0,0,0|1,1,0]=4 8050 B14R1.687 Cc1ccc(cc1O)SCCC(=O)N 62a_100000744528_100000685420 [0,2,0,0,0,0|1,1,0]=4 8051 B14R1.687 Cc1cnc(cc1Br)OCCC(=O)N 34a_100009831917_100000731001 [0,2,0,0,0,0|2,0,0]=4 8052 B14R1.687 Cc1nc(ccc1Br)OCCC(=O)N 34a_100000691680_100000731001 [0,2,0,0,0,0|2,0,0]=4 8053 B14R1.687 Cc1nc(ccc1Cl)OCCC(=O)N 34a_200009863735_100000731001 [0,2,0,0,0,0|2,0,0]=4 8054 B14R1.687 Cc1ncc(cc1Br)OCCC(=O)N 34a_100009819603_100000731001 [0,2,0,0,0,0|2,0,0]=4 8055 B14R1.687 Cc1ncc(cc1Br)OCCC(=O)N 7a_100009819603_100000744528 [0,2,0,0,0,0|2,0,0]=4 8056 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000744528 [0,2,0,0,0,0|2,0,0]=4 8057 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Br 34a_100011306057_100000731001 [0,2,0,0,0,0|2,0,0]=4 8058 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Br 7a_100011306057_100000744528 [0,2,0,0,0,0|2,0,0]=4 8059 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000744528 [0,2,0,0,0,0|2,0,0]=4 8060 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000731001 [0,2,0,0,0,0|2,0,0]=4 8061 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000744528 [0,2,0,0,0,0|2,0,0]=4 8062 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)F 34a_100000760356_100000731001 [0,2,0,0,0,0|2,0,0]=4 8063 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)F 7a_100000760356_100000744528 [0,2,0,0,0,0|2,0,0]=4 8064 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)I 34a_100000750458_100000731001 [0,2,0,0,0,0|2,0,0]=4 8065 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)O 34a_100011534360_100000731001 [0,2,0,0,0,0|2,0,0]=4 8066 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000744528 [0,2,0,0,0,0|2,0,0]=4 8067 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000731001 [0,2,0,0,0,0|2,0,0]=4 8068 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000744528 [0,2,0,0,0,0|2,0,0]=4 8069 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000744528 [0,2,0,0,0,0|2,0,0]=4 8070 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000731001 [0,2,0,0,0,0|2,0,0]=4 8071 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000744528 [0,2,0,0,0,0|2,0,0]=4 8072 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)F 34a_100000211060_100000731001 [0,2,0,0,0,0|2,0,0]=4 8073 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)F 7a_100000211060_100000744528 [0,2,0,0,0,0|2,0,0]=4 8074 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)I 34a_100000761885_100000731001 [0,2,0,0,0,0|2,0,0]=4 8075 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000731001 [0,2,0,0,0,0|2,0,0]=4 8076 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000744528 [0,2,0,0,0,0|2,0,0]=4 8077 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Br 34a_100000759894_100000731001 [0,2,0,0,0,0|2,0,0]=4 8078 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Br 7a_100000759894_100000744528 [0,2,0,0,0,0|2,0,0]=4 8079 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000744528 [0,2,0,0,0,0|2,0,0]=4 8080 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Cl 34a_100000739366_100000731001 [0,2,0,0,0,0|2,0,0]=4 8081 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)Cl 7a_100000739366_100000744528 [0,2,0,0,0,0|2,0,0]=4 8082 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)F 2230a_100000210724_100000744528 [0,2,0,0,0,0|2,0,0]=4 8083 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)F 34a_100000210724_100000731001 [0,2,0,0,0,0|2,0,0]=4 8084 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)F 7a_100000210724_100000744528 [0,2,0,0,0,0|2,0,0]=4 8085 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)I 34a_100011356925_100000731001 [0,2,0,0,0,0|2,0,0]=4 8086 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)I 7a_100011356925_100000744528 [0,2,0,0,0,0|2,0,0]=4 8087 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)O 34a_100011220035_100000731001 [0,2,0,0,0,0|2,0,0]=4 8088 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)O 7a_100011220035_100000744528 [0,2,0,0,0,0|2,0,0]=4 8089 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)Br 34a_100000750459_100000731001 [0,2,0,0,0,0|2,0,0]=4 8090 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)Cl 34a_100012360549_100000731001 [0,2,0,0,0,0|2,0,0]=4 8091 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)F 34a_114828291077_100000731001 [0,2,0,0,0,0|2,0,0]=4 8092 B14R1.687 NC(=O)CCNc1ccc(c(c1)I)F 7a_114828291077_100000744528 [0,2,0,0,0,0|2,0,0]=4 8093 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000731001 [0,2,0,0,0,0|2,0,0]=4 8094 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)F 34a_100012017398_100000731001 [0,2,0,0,0,0|2,0,0]=4 8095 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)F 7a_100012017398_100000744528 [0,2,0,0,0,0|2,0,0]=4 8096 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)O 34a_100102946323_100000731001 [0,2,0,0,0,0|2,0,0]=4 8097 B14R1.687 NC(=O)CCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000731001 [0,2,0,0,0,0|2,0,0]=4 8098 B14R1.687 NC(=O)CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000731001 [0,2,0,0,0,0|2,0,0]=4 8099 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000731001 [0,2,0,0,0,0|1,0,0]=3 8100 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000744528 [0,2,0,0,0,0|1,0,0]=3 8101 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)F 34a_100000693481_100000731001 [0,2,0,0,0,0|1,0,0]=3 8102 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)F 7a_100000693481_100000744528 [0,2,0,0,0,0|1,0,0]=3 8103 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)I 34a_100000701344_100000731001 [0,2,0,0,0,0|1,0,0]=3 8104 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)I 7a_100000701344_100000744528 [0,2,0,0,0,0|1,0,0]=3 8105 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)N 34a_100012001276_100000731001 [0,2,0,0,0,0|1,0,0]=3 8106 B14R1.687 NC(=O)CCOc1ccc(c(c1)Br)N 7a_100012001276_100000744528 [0,2,0,0,0,0|1,0,0]=3 8107 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000731001 [0,2,0,0,0,0|1,0,0]=3 8108 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000744528 [0,2,0,0,0,0|1,0,0]=3 8109 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000731001 [0,2,0,0,0,0|1,0,0]=3 8110 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000744528 [0,2,0,0,0,0|1,0,0]=3 8111 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000731001 [0,2,0,0,0,0|1,0,0]=3 8112 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000744528 [0,2,0,0,0,0|1,0,0]=3 8113 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000731001 [0,2,0,0,0,0|1,0,0]=3 8114 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000744528 [0,2,0,0,0,0|1,0,0]=3 8115 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000731001 [0,2,0,0,0,0|1,0,0]=3 8116 B14R1.687 NC(=O)CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000744528 [0,2,0,0,0,0|1,0,0]=3 8117 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)Br 34a_100000755031_100000731001 [0,2,0,0,0,0|1,0,0]=3 8118 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)Br 7a_100000755031_100000744528 [0,2,0,0,0,0|1,0,0]=3 8119 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000731001 [0,2,0,0,0,0|1,0,0]=3 8120 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000744528 [0,2,0,0,0,0|1,0,0]=3 8121 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)F 34a_100000181275_100000731001 [0,2,0,0,0,0|1,0,0]=3 8122 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)F 7a_100000181275_100000744528 [0,2,0,0,0,0|1,0,0]=3 8123 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)I 34a_100009990212_100000731001 [0,2,0,0,0,0|1,0,0]=3 8124 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)I 7a_100009990212_100000744528 [0,2,0,0,0,0|1,0,0]=3 8125 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)N 34a_100000759473_100000731001 [0,2,0,0,0,0|1,0,0]=3 8126 B14R1.687 NC(=O)CCOc1ccc(c(c1)F)N 7a_100000759473_100000744528 [0,2,0,0,0,0|1,0,0]=3 8127 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Br 34a_100012339312_100000731001 [0,2,0,0,0,0|1,0,0]=3 8128 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Br 7a_100012339312_100000744528 [0,2,0,0,0,0|1,0,0]=3 8129 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000731001 [0,2,0,0,0,0|1,0,0]=3 8130 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000744528 [0,2,0,0,0,0|1,0,0]=3 8131 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)N 34a_100010084370_100000731001 [0,2,0,0,0,0|1,0,0]=3 8132 B14R1.687 NC(=O)CCOc1ccc(c(c1)I)N 7a_100010084370_100000744528 [0,2,0,0,0,0|1,0,0]=3 8133 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)Br 34a_100011999798_100000731001 [0,2,0,0,0,0|1,0,0]=3 8134 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)Br 7a_100011999798_100000744528 [0,2,0,0,0,0|1,0,0]=3 8135 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000731001 [0,2,0,0,0,0|1,0,0]=3 8136 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)F 34a_100012017239_100000731001 [0,2,0,0,0,0|1,0,0]=3 8137 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)F 7a_100012017239_100000744528 [0,2,0,0,0,0|1,0,0]=3 8138 B14R1.687 NC(=O)CCOc1ccc(c(c1)N)N 34a_100025771000_100000731001 [0,2,0,0,0,0|1,0,0]=3 8139 B14R1.687 NC(=O)CCOc1ccc(c(n1)F)Br 34a_100009879308_100000731001 [0,2,0,0,0,0|2,0,0]=4 8140 B14R1.687 NC(=O)CCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000731001 [0,2,0,0,0,0|2,0,0]=4 8141 B14R1.687 NC(=O)CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000744528 [0,2,0,0,0,0|2,0,0]=4 8142 B14R1.687 NC(=O)CCOc1cnc(c(c1)Br)F 34a_100009817267_100000731001 [0,2,0,0,0,0|2,0,0]=4 8143 B14R1.687 NC(=O)CCOc1cnc(c(c1)Br)F 7a_100009817267_100000744528 [0,2,0,0,0,0|2,0,0]=4 8144 B14R1.687 NC(=O)CCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000731001 [0,2,0,0,0,0|2,0,0]=4 8145 B14R1.687 NC(=O)CCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000744528 [0,2,0,0,0,0|2,0,0]=4 8146 B14R1.687 NC(=O)CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000731001 [0,2,0,0,0,0|2,0,0]=4 8147 B14R1.687 NC(=O)CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000744528 [0,2,0,0,0,0|2,0,0]=4 8148 B14R1.687 NC(=O)CCOc1cnc(c(c1)Cl)F 34a_100000087088_100000731001 [0,2,0,0,0,0|2,0,0]=4 8149 B14R1.687 NC(=O)CCOc1cnc(c(c1)Cl)F 7a_100000087088_100000744528 [0,2,0,0,0,0|2,0,0]=4 8150 B14R1.687 NC(=O)CCOc1cnc(c(c1)F)Cl 34a_100000063512_100000731001 [0,2,0,0,0,0|2,0,0]=4 8151 B14R1.687 NC(=O)CCOc1cnc(c(c1)F)Cl 7a_100000063512_100000744528 [0,2,0,0,0,0|2,0,0]=4 8152 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)Br 62a_100000744528_100012356285 [0,2,0,0,0,0|1,1,0]=4 8153 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000744528 [0,2,0,0,0,0|1,1,0]=4 8154 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)Cl 62a_100000744528_100012353702 [0,2,0,0,0,0|1,1,0]=4 8155 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000744528 [0,2,0,0,0,0|1,1,0]=4 8156 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)F 62a_100000744528_100012047266 [0,2,0,0,0,0|1,1,0]=4 8157 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)F 62a_100012047266_100000744528 [0,2,0,0,0,0|1,1,0]=4 8158 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)N 62a_100000744528_100000750455 [0,2,0,0,0,0|1,1,0]=4 8159 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)N 62a_100000750455_100000744528 [0,2,0,0,0,0|1,1,0]=4 8160 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)O 62a_100000744528_100012361655 [0,2,0,0,0,0|1,1,0]=4 8161 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000744528 [0,2,0,0,0,0|1,1,0]=4 8162 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)Br 62a_100000744528_100012047281 [0,2,0,0,0,0|1,1,0]=4 8163 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000744528 [0,2,0,0,0,0|1,1,0]=4 8164 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)Cl 62a_100000744528_100011214914 [0,2,0,0,0,0|1,1,0]=4 8165 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000744528 [0,2,0,0,0,0|1,1,0]=4 8166 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)F 62a_100000744528_100011215976 [0,2,0,0,0,0|1,1,0]=4 8167 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000744528 [0,2,0,0,0,0|1,1,0]=4 8168 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)N 62a_100000744528_100011218065 [0,2,0,0,0,0|1,1,0]=4 8169 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000744528 [0,2,0,0,0,0|1,1,0]=4 8170 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)O 62a_100000744528_100012360047 [0,2,0,0,0,0|1,1,0]=4 8171 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000744528 [0,2,0,0,0,0|1,1,0]=4 8172 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)Br 62a_100000685389_100000744528 [0,2,0,0,0,0|1,1,0]=4 8173 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)Br 62a_100000744528_100000685389 [0,2,0,0,0,0|1,1,0]=4 8174 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)Cl 62a_100000744528_100011216805 [0,2,0,0,0,0|1,1,0]=4 8175 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000744528 [0,2,0,0,0,0|1,1,0]=4 8176 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)F 62a_100000703953_100000744528 [0,2,0,0,0,0|1,1,0]=4 8177 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)F 62a_100000744528_100000703953 [0,2,0,0,0,0|1,1,0]=4 8178 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)N 62a_100000744528_100011215594 [0,2,0,0,0,0|1,1,0]=4 8179 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)N 62a_100011215594_100000744528 [0,2,0,0,0,0|1,1,0]=4 8180 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)O 62a_100000185481_100000744528 [0,2,0,0,0,0|1,1,0]=4 8181 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)O 62a_100000744528_100000185481 [0,2,0,0,0,0|1,1,0]=4 8182 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)Br 62a_100000744528_100000750456 [0,2,0,0,0,0|1,1,0]=4 8183 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)Br 62a_100000750456_100000744528 [0,2,0,0,0,0|1,1,0]=4 8184 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)Cl 62a_100000744528_200000761891 [0,2,0,0,0,0|1,1,0]=4 8185 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000744528 [0,2,0,0,0,0|1,1,0]=4 8186 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)F 62a_100000740924_100000744528 [0,2,0,0,0,0|1,1,0]=4 8187 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)F 62a_100000744528_100000740924 [0,2,0,0,0,0|1,1,0]=4 8188 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)N 62a_100000741789_100000744528 [0,2,0,0,0,0|1,1,0]=4 8189 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)N 62a_100000744528_100011534411 [0,2,0,0,0,0|1,1,0]=4 8190 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)O 62a_100000744528_100000752626 [0,2,0,0,0,0|1,1,0]=4 8191 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)O 62a_100000752626_100000744528 [0,2,0,0,0,0|1,1,0]=4 8192 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Br 62a_100000744528_100012356990 [0,2,0,0,0,0|1,1,0]=4 8193 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Br 62a_100012356990_100000744528 [0,2,0,0,0,0|1,1,0]=4 8194 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Cl 62a_100000744528_100011356854 [0,2,0,0,0,0|1,1,0]=4 8195 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000744528 [0,2,0,0,0,0|1,1,0]=4 8196 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)F 62a_100000686035_100000744528 [0,2,0,0,0,0|1,1,0]=4 8197 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)F 62a_100000744528_100000686035 [0,2,0,0,0,0|1,1,0]=4 8198 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)N 62a_100000739049_100000744528 [0,2,0,0,0,0|1,1,0]=4 8199 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)N 62a_100000744528_100000739049 [0,2,0,0,0,0|1,1,0]=4 8200 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)O 62a_100000744528_100009813601 [0,2,0,0,0,0|1,1,0]=4 8201 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)Br 269956a_100016091260_100012353900 [0,2,0,0,0,0|2,0,0]=4 8202 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)Cl 269956a_100016091260_100012353894 [0,2,0,0,0,0|2,0,0]=4 8203 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)F 269956a_100016091260_100000743011 [0,2,0,0,0,0|2,0,0]=4 8204 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)Br 269956a_100016091260_100012353895 [0,2,0,0,0,0|2,0,0]=4 8205 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)Cl 269956a_100016091260_100000188800 [0,2,0,0,0,0|2,0,0]=4 8206 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)F 269956a_100016091260_100000717365 [0,2,0,0,0,0|2,0,0]=4 8207 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)I 269956a_100016091260_100012349665 [0,2,0,0,0,0|2,0,0]=4 8208 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)Br 269956a_100016091260_100000767054 [0,2,0,0,0,0|2,0,0]=4 8209 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)Cl 269956a_100016091260_100000716492 [0,2,0,0,0,0|2,0,0]=4 8210 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)F 269956a_100016091260_100000757363 [0,2,0,0,0,0|2,0,0]=4 8211 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)I 269956a_100016091260_100010149604 [0,2,0,0,0,0|2,0,0]=4 8212 B14R1.687 O=C(O)CNCc1ccc(c(c1)I)Br 269956a_100016091260_100010146616 [0,2,0,0,0,0|2,0,0]=4 8213 B14R1.687 O=C(O)CNCc1ccc(c(c1)I)F 269956a_100016091260_100010188208 [0,2,0,0,0,0|2,0,0]=4 8214 B14R1.1025 C#CC(=O)CCCc1cccc(c1)Br 1458a_100000211873_100011713683 [0,2,0,0,0,0|2,0,0]=4 8215 B14R1.1025 C#CC(=O)CCCc1cccc(c1)F 1458a_100000211873_200000698031 [0,2,0,0,0,0|2,0,0]=4 8216 B14R1.1025 C#CC(=O)CCOc1cccc(c1)Br 1458a_100000211873_100000183150 [0,2,0,0,0,0|1,0,0]=3 8217 B14R1.1025 C#CC(=O)CCOc1cccc(c1)Cl 1458a_100000211873_100000181161 [0,2,0,0,0,0|1,0,0]=3 8218 B14R1.1025 C#CC(=O)CCOc1cccc(c1)F 1458a_100000211873_100000739188 [0,2,0,0,0,0|1,0,0]=3 8219 B14R1.1025 C=CC(=O)CCCc1cccc(c1)Br 1458a_100000185746_100011713683 [0,2,0,0,0,0|2,0,0]=4 8220 B14R1.1025 C=CC(=O)CCCc1cccc(c1)F 1458a_100000185746_200000698031 [0,2,0,0,0,0|2,0,0]=4 8221 B14R1.1025 C=CC(=O)CCOc1cccc(c1)Br 1458a_100000185746_100000183150 [0,2,0,0,0,0|1,0,0]=3 8222 B14R1.1025 C=CC(=O)CCOc1cccc(c1)Cl 1458a_100000185746_100000181161 [0,2,0,0,0,0|1,0,0]=3 8223 B14R1.1025 C=CC(=O)CCOc1cccc(c1)F 1458a_100000185746_100000739188 [0,2,0,0,0,0|1,0,0]=3 8224 B14R1.1025 CCC(=O)CCCc1cccc(c1)Br 1458a_100000210414_100011713683 [0,2,0,0,0,0|2,0,0]=4 8225 B14R1.1025 CCC(=O)CCCc1cccc(c1)Br 1458a_100000685939_100000210202 [0,2,0,0,0,0|2,0,0]=4 8226 B14R1.1025 CCC(=O)CCCc1cccc(c1)F 1458a_100000210414_200000698031 [0,2,0,0,0,0|2,0,0]=4 8227 B14R1.1025 CCC(=O)CCOc1cccc(c1)Br 1458a_100000183437_100000210202 [0,2,0,0,0,0|1,0,0]=3 8228 B14R1.1025 CCC(=O)CCOc1cccc(c1)Br 1458a_100000210414_100000183150 [0,2,0,0,0,0|1,0,0]=3 8229 B14R1.1025 CCC(=O)CCOc1cccc(c1)C 1458a_100000182325_100000210202 [0,2,0,0,0,0|1,0,0]=3 8230 B14R1.1025 CCC(=O)CCOc1cccc(c1)Cl 1458a_100000210414_100000181161 [0,2,0,0,0,0|1,0,0]=3 8231 B14R1.1025 CCC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_100000210202 [0,2,0,0,0,0|1,0,0]=3 8232 B14R1.1025 CCC(=O)CCOc1cccc(c1)F 1458a_100000210414_100000739188 [0,2,0,0,0,0|1,0,0]=3 8233 B14R1.1025 CCC(=O)CCOc1cccc(c1)F 1458a_100000737089_100000210202 [0,2,0,0,0,0|1,0,0]=3 8234 B14R1.1025 CNC(=O)CCCc1cccc(c1)Br 11a_106832991635_100000685939 [0,2,0,0,0,0|2,0,0]=4 8235 B14R1.1025 CNC(=O)CCCc1cccc(c1)Br 1626a_100102657272_100000685939 [0,2,0,0,0,0|2,0,0]=4 8236 B14R1.1025 CNC(=O)CCCc1cccc(c1)Br 240690a_100102657272_100000685939 [0,2,0,0,0,0|2,0,0]=4 8237 B14R1.1025 CNC(=O)CCCc1cccc(c1)Br 527a_100102657272_100000685939 [0,2,0,0,0,0|2,0,0]=4 8238 B14R1.1025 CNC(=O)CCNc1cccc(c1)Br 34a_100000210019_100012179268 [0,2,0,0,0,0|2,0,0]=4 8239 B14R1.1025 CNC(=O)CCNc1cccc(c1)C 2230a_100000188690_100000737683 [0,2,0,0,0,0|2,0,0]=4 8240 B14R1.1025 CNC(=O)CCNc1cccc(c1)C 34a_100000188690_100012179268 [0,2,0,0,0,0|2,0,0]=4 8241 B14R1.1025 CNC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100012179268 [0,2,0,0,0,0|2,0,0]=4 8242 B14R1.1025 CNC(=O)CCNc1cccc(c1)F 34a_100000210047_100012179268 [0,2,0,0,0,0|2,0,0]=4 8243 B14R1.1025 CNC(=O)CCNc1cccc(c1)I 34a_100000211102_100012179268 [0,2,0,0,0,0|2,0,0]=4 8244 B14R1.1025 CNC(=O)CCNc1cccc(c1)O 34a_100000210217_100012179268 [0,2,0,0,0,0|2,0,0]=4 8245 B14R1.1025 CNC(=O)CCOc1cc[nH]c(=O)c1 34a_100000032262_100012179268 [0,2,0,0,0,0|2,0,0]=4 8246 B14R1.1025 CNC(=O)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100012179268 [0,2,0,0,0,0|2,0,0]=4 8247 B14R1.1025 CNC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000737683 [0,2,0,0,0,0|2,0,0]=4 8248 B14R1.1025 CNC(=O)CCOc1cccc(=O)[nH]1 34a_100000033347_100012179268 [0,2,0,0,0,0|2,0,0]=4 8249 B14R1.1025 CNC(=O)CCOc1cccc(c1)Br 240690a_100102657272_100000183437 [0,2,0,0,0,0|1,0,0]=3 8250 B14R1.1025 CNC(=O)CCOc1cccc(c1)Br 34a_100000210342_100012179268 [0,2,0,0,0,0|1,0,0]=3 8251 B14R1.1025 CNC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000737683 [0,2,0,0,0,0|1,0,0]=3 8252 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 11a_106832991635_100000182325 [0,2,0,0,0,0|1,0,0]=3 8253 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 1626a_100102657272_100000182325 [0,2,0,0,0,0|1,0,0]=3 8254 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 240690a_100102657272_100000182325 [0,2,0,0,0,0|1,0,0]=3 8255 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 34a_100000210337_100012179268 [0,2,0,0,0,0|1,0,0]=3 8256 B14R1.1025 CNC(=O)CCOc1cccc(c1)C 7a_100000210337_100000737683 [0,2,0,0,0,0|1,0,0]=3 8257 B14R1.1025 CNC(=O)CCOc1cccc(c1)Cl 1626a_100102657272_100000738917 [0,2,0,0,0,0|1,0,0]=3 8258 B14R1.1025 CNC(=O)CCOc1cccc(c1)Cl 240690a_100102657272_100000738917 [0,2,0,0,0,0|1,0,0]=3 8259 B14R1.1025 CNC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100012179268 [0,2,0,0,0,0|1,0,0]=3 8260 B14R1.1025 CNC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000737683 [0,2,0,0,0,0|1,0,0]=3 8261 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 11a_106832991635_100000737089 [0,2,0,0,0,0|1,0,0]=3 8262 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 1626a_100102657272_100000737089 [0,2,0,0,0,0|1,0,0]=3 8263 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 240690a_100102657272_100000737089 [0,2,0,0,0,0|1,0,0]=3 8264 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 34a_100000210426_100012179268 [0,2,0,0,0,0|1,0,0]=3 8265 B14R1.1025 CNC(=O)CCOc1cccc(c1)F 7a_100000210426_100000737683 [0,2,0,0,0,0|1,0,0]=3 8266 B14R1.1025 CNC(=O)CCOc1cccc(c1)I 34a_100000211634_100012179268 [0,2,0,0,0,0|1,0,0]=3 8267 B14R1.1025 CNC(=O)CCOc1cccc(c1)I 7a_100000211634_100000737683 [0,2,0,0,0,0|1,0,0]=3 8268 B14R1.1025 CNC(=O)CCOc1cccc(c1)N 34a_100000210217_100012179268 [0,2,0,0,0,0|1,0,0]=3 8269 B14R1.1025 CNC(=O)CCOc1cccc(n1)F 34a_100011432558_100012179268 [0,2,0,0,0,0|2,0,0]=4 8270 B14R1.1025 CNC(=O)CCOc1ccnc(c1)C 34a_100000688365_100012179268 [0,2,0,0,0,0|2,0,0]=4 8271 B14R1.1025 CNC(=O)CCOc1ccnc(c1)Cl 34a_100000762945_100012179268 [0,2,0,0,0,0|2,0,0]=4 8272 B14R1.1025 CNC(=O)CCOc1ccnc(c1)F 34a_100000732698_100012179268 [0,2,0,0,0,0|2,0,0]=4 8273 B14R1.1025 CNC(=O)CCOc1ccnc(c1)N 34a_100011834064_100012179268 [0,2,0,0,0,0|2,0,0]=4 8274 B14R1.1025 CNC(=O)CCOc1cncc(c1)Br 34a_100000754920_100012179268 [0,2,0,0,0,0|2,0,0]=4 8275 B14R1.1025 CNC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000737683 [0,2,0,0,0,0|2,0,0]=4 8276 B14R1.1025 CNC(=O)CCOc1cncc(c1)C 34a_100011830280_100012179268 [0,2,0,0,0,0|2,0,0]=4 8277 B14R1.1025 CNC(=O)CCOc1cncc(c1)C 7a_100011830280_100000737683 [0,2,0,0,0,0|2,0,0]=4 8278 B14R1.1025 CNC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000737683 [0,2,0,0,0,0|2,0,0]=4 8279 B14R1.1025 CNC(=O)CCOc1cncc(c1)F 34a_100011830296_100012179268 [0,2,0,0,0,0|2,0,0]=4 8280 B14R1.1025 CNC(=O)CCOc1cncc(c1)F 7a_100011830296_100000737683 [0,2,0,0,0,0|2,0,0]=4 8281 B14R1.1025 CNC(=O)CCOc1cncc(c1)N 34a_100011997051_100012179268 [0,2,0,0,0,0|2,0,0]=4 8282 B14R1.1025 CNC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000737683 [0,2,0,0,0,0|1,1,0]=4 8283 B14R1.1025 CNC(=O)CCSc1cccc(c1)Br 62a_100000737683_100000691529 [0,2,0,0,0,0|1,1,0]=4 8284 B14R1.1025 CNC(=O)CCSc1cccc(c1)C 62a_100000737683_100011215228 [0,2,0,0,0,0|1,1,0]=4 8285 B14R1.1025 CNC(=O)CCSc1cccc(c1)C 62a_100011215228_100000737683 [0,2,0,0,0,0|1,1,0]=4 8286 B14R1.1025 CNC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000737683 [0,2,0,0,0,0|1,1,0]=4 8287 B14R1.1025 CNC(=O)CCSc1cccc(c1)Cl 62a_100000737683_100000699651 [0,2,0,0,0,0|1,1,0]=4 8288 B14R1.1025 CNC(=O)CCSc1cccc(c1)F 62a_100000685547_100000737683 [0,2,0,0,0,0|1,1,0]=4 8289 B14R1.1025 CNC(=O)CCSc1cccc(c1)F 62a_100000737683_100000685547 [0,2,0,0,0,0|1,1,0]=4 8290 B14R1.1025 CNC(=O)CCSc1cccc(c1)N 62a_100000210019_100000737683 [0,2,0,0,0,0|1,1,0]=4 8291 B14R1.1025 CNC(=O)CCSc1cccc(c1)N 62a_100000737683_100000210019 [0,2,0,0,0,0|1,1,0]=4 8292 B14R1.1025 CNC(=O)CCSc1cccc(c1)O 62a_100000737683_100000211634 [0,2,0,0,0,0|1,1,0]=4 8293 B14R1.1025 CNC(=O)CCSc1cccc(c1)[S] 62a_100000737683_114929384022 [0,2,0,0,0,0|1,1,0]=4 8294 B14R1.1025 CNC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000737683 [0,2,0,0,0,0|1,1,0]=4 8295 B14R1.1025 COC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000742370 [0,2,0,0,0,0|1,0,0]=3 8296 B14R1.1025 COC(=O)CCNc1cccc(c1)C 2230a_100000188690_100000204255 [0,2,0,0,0,0|1,0,0]=3 8297 B14R1.1025 COC(=O)CCNc1cccc(c1)C 34a_100000188690_100000742370 [0,2,0,0,0,0|1,0,0]=3 8298 B14R1.1025 COC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000742370 [0,2,0,0,0,0|1,0,0]=3 8299 B14R1.1025 COC(=O)CCNc1cccc(c1)F 34a_100000210047_100000742370 [0,2,0,0,0,0|1,0,0]=3 8300 B14R1.1025 COC(=O)CCNc1cccc(c1)I 34a_100000211102_100000742370 [0,2,0,0,0,0|1,0,0]=3 8301 B14R1.1025 COC(=O)CCNc1cccc(c1)O 34a_100000210217_100000742370 [0,2,0,0,0,0|1,0,0]=3 8302 B14R1.1025 COC(=O)CCOc1cc(cnn1)C 34a_100000766097_100000742370 [0,2,0,0,0,0|2,0,0]=4 8303 B14R1.1025 COC(=O)CCOc1cc[nH]c(=O)c1 34a_100000032262_100000742370 [0,2,0,0,0,0|1,0,0]=3 8304 B14R1.1025 COC(=O)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000742370 [0,2,0,0,0,0|1,0,0]=3 8305 B14R1.1025 COC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000204255 [0,2,0,0,0,0|1,0,0]=3 8306 B14R1.1025 COC(=O)CCOc1cccc(=O)[nH]1 34a_100000033347_100000742370 [0,2,0,0,0,0|1,0,0]=3 8307 B14R1.1025 COC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000742370 [0,2,0,0,0,0|0,0,0]=2 8308 B14R1.1025 COC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000204255 [0,2,0,0,0,0|0,0,0]=2 8309 B14R1.1025 COC(=O)CCOc1cccc(c1)C 34a_100000210337_100000742370 [0,2,0,0,0,0|0,0,0]=2 8310 B14R1.1025 COC(=O)CCOc1cccc(c1)C 7a_100000210337_100000204255 [0,2,0,0,0,0|0,0,0]=2 8311 B14R1.1025 COC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000742370 [0,2,0,0,0,0|0,0,0]=2 8312 B14R1.1025 COC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000204255 [0,2,0,0,0,0|0,0,0]=2 8313 B14R1.1025 COC(=O)CCOc1cccc(c1)F 34a_100000210426_100000742370 [0,2,0,0,0,0|0,0,0]=2 8314 B14R1.1025 COC(=O)CCOc1cccc(c1)F 7a_100000210426_100000204255 [0,2,0,0,0,0|0,0,0]=2 8315 B14R1.1025 COC(=O)CCOc1cccc(c1)I 34a_100000211634_100000742370 [0,2,0,0,0,0|0,0,0]=2 8316 B14R1.1025 COC(=O)CCOc1cccc(c1)I 7a_100000211634_100000204255 [0,2,0,0,0,0|0,0,0]=2 8317 B14R1.1025 COC(=O)CCOc1cccc(c1)N 34a_100000210217_100000742370 [0,2,0,0,0,0|0,0,0]=2 8318 B14R1.1025 COC(=O)CCOc1cccc(n1)F 34a_100011432558_100000742370 [0,2,0,0,0,0|1,0,0]=3 8319 B14R1.1025 COC(=O)CCOc1ccnc(c1)C 34a_100000688365_100000742370 [0,2,0,0,0,0|1,0,0]=3 8320 B14R1.1025 COC(=O)CCOc1ccnc(c1)Cl 34a_100000762945_100000742370 [0,2,0,0,0,0|1,0,0]=3 8321 B14R1.1025 COC(=O)CCOc1ccnc(c1)F 34a_100000732698_100000742370 [0,2,0,0,0,0|1,0,0]=3 8322 B14R1.1025 COC(=O)CCOc1ccnc(c1)N 34a_100011834064_100000742370 [0,2,0,0,0,0|1,0,0]=3 8323 B14R1.1025 COC(=O)CCOc1cncc(c1)Br 34a_100000754920_100000742370 [0,2,0,0,0,0|1,0,0]=3 8324 B14R1.1025 COC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000204255 [0,2,0,0,0,0|1,0,0]=3 8325 B14R1.1025 COC(=O)CCOc1cncc(c1)C 34a_100011830280_100000742370 [0,2,0,0,0,0|1,0,0]=3 8326 B14R1.1025 COC(=O)CCOc1cncc(c1)C 7a_100011830280_100000204255 [0,2,0,0,0,0|1,0,0]=3 8327 B14R1.1025 COC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000204255 [0,2,0,0,0,0|1,0,0]=3 8328 B14R1.1025 COC(=O)CCOc1cncc(c1)F 34a_100011830296_100000742370 [0,2,0,0,0,0|1,0,0]=3 8329 B14R1.1025 COC(=O)CCOc1cncc(c1)F 7a_100011830296_100000204255 [0,2,0,0,0,0|1,0,0]=3 8330 B14R1.1025 COC(=O)CCOc1cncc(c1)N 34a_100011997051_100000742370 [0,2,0,0,0,0|1,0,0]=3 8331 B14R1.1025 COC(=O)CCOc1cnnc(c1)Cl 34a_200010734679_100000742370 [0,2,0,0,0,0|2,0,0]=4 8332 B14R1.1025 COC(=O)CCOc1cnnc(c1)N 34a_200015193112_100000742370 [0,2,0,0,0,0|2,0,0]=4 8333 B14R1.1025 COC(=O)CCSc1cc(=O)cc[nH]1 62a_100009817434_100000204255 [0,2,0,0,0,0|1,1,0]=4 8334 B14R1.1025 COC(=O)CCSc1cc(ccn1)C 62a_100000204255_100000750283 [0,2,0,0,0,0|1,1,0]=4 8335 B14R1.1025 COC(=O)CCSc1cc(ccn1)C 62a_100000750283_100000204255 [0,2,0,0,0,0|1,1,0]=4 8336 B14R1.1025 COC(=O)CCSc1cc(ccn1)Cl 62a_100000204255_100010167805 [0,2,0,0,0,0|1,1,0]=4 8337 B14R1.1025 COC(=O)CCSc1cc(ccn1)Cl 62a_100010167805_100000204255 [0,2,0,0,0,0|1,1,0]=4 8338 B14R1.1025 COC(=O)CCSc1cc(ccn1)F 62a_100000204255_100000764206 [0,2,0,0,0,0|1,1,0]=4 8339 B14R1.1025 COC(=O)CCSc1cc(ccn1)F 62a_100000764206_100000204255 [0,2,0,0,0,0|1,1,0]=4 8340 B14R1.1025 COC(=O)CCSc1cc(ccn1)N 62a_100000204255_100009814236 [0,2,0,0,0,0|1,1,0]=4 8341 B14R1.1025 COC(=O)CCSc1cc(ccn1)N 62a_100009814236_100000204255 [0,2,0,0,0,0|1,1,0]=4 8342 B14R1.1025 COC(=O)CCSc1cc(ccn1)O 62a_100000204255_100000762945 [0,2,0,0,0,0|1,1,0]=4 8343 B14R1.1025 COC(=O)CCSc1cc[nH]c(=O)c1 62a_100000204255_100009816521 [0,2,0,0,0,0|1,1,0]=4 8344 B14R1.1025 COC(=O)CCSc1cc[nH]c(=O)c1 62a_100009816521_100000204255 [0,2,0,0,0,0|1,1,0]=4 8345 B14R1.1025 COC(=O)CCSc1ccc[n+](c1)C 62a_100000204255_100009996589 [0,2,0,0,0,0|1,1,0]=4 8346 B14R1.1025 COC(=O)CCSc1ccc[n+](c1)C 62a_100009996589_100000204255 [0,2,0,0,0,0|1,1,0]=4 8347 B14R1.1025 COC(=O)CCSc1ccc[n+](c1)[O-] 62a_100000204255_100009815978 [0,2,0,0,0,0|1,1,0]=4 8348 B14R1.1025 COC(=O)CCSc1cccc(=O)[nH]1 62a_100000204255_100000752884 [0,2,0,0,0,0|1,1,0]=4 8349 B14R1.1025 COC(=O)CCSc1cccc(c1)Br 62a_100000204255_100000691529 [0,2,0,0,0,0|0,1,0]=3 8350 B14R1.1025 COC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000204255 [0,2,0,0,0,0|0,1,0]=3 8351 B14R1.1025 COC(=O)CCSc1cccc(c1)C 62a_100000204255_100011215228 [0,2,0,0,0,0|0,1,0]=3 8352 B14R1.1025 COC(=O)CCSc1cccc(c1)C 62a_100011215228_100000204255 [0,2,0,0,0,0|0,1,0]=3 8353 B14R1.1025 COC(=O)CCSc1cccc(c1)Cl 62a_100000204255_100000699651 [0,2,0,0,0,0|0,1,0]=3 8354 B14R1.1025 COC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000204255 [0,2,0,0,0,0|0,1,0]=3 8355 B14R1.1025 COC(=O)CCSc1cccc(c1)F 62a_100000204255_100000685547 [0,2,0,0,0,0|0,1,0]=3 8356 B14R1.1025 COC(=O)CCSc1cccc(c1)F 62a_100000685547_100000204255 [0,2,0,0,0,0|0,1,0]=3 8357 B14R1.1025 COC(=O)CCSc1cccc(c1)N 62a_100000204255_100000210019 [0,2,0,0,0,0|0,1,0]=3 8358 B14R1.1025 COC(=O)CCSc1cccc(c1)N 62a_100000210019_100000204255 [0,2,0,0,0,0|0,1,0]=3 8359 B14R1.1025 COC(=O)CCSc1cccc(c1)O 62a_100000204255_100000211634 [0,2,0,0,0,0|0,1,0]=3 8360 B14R1.1025 COC(=O)CCSc1cccc(c1)[S] 62a_100000204255_114929384022 [0,2,0,0,0,0|0,1,0]=3 8361 B14R1.1025 COC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000204255 [0,2,0,0,0,0|0,1,0]=3 8362 B14R1.1025 COC(=O)CCSc1cccc(n1)Br 62a_100000204255_100000684672 [0,2,0,0,0,0|1,1,0]=4 8363 B14R1.1025 COC(=O)CCSc1cccc(n1)Br 62a_100000684672_100000204255 [0,2,0,0,0,0|1,1,0]=4 8364 B14R1.1025 COC(=O)CCSc1cccc(n1)C 62a_100000204255_100000742759 [0,2,0,0,0,0|1,1,0]=4 8365 B14R1.1025 COC(=O)CCSc1cccc(n1)C 62a_100000742759_100000204255 [0,2,0,0,0,0|1,1,0]=4 8366 B14R1.1025 COC(=O)CCSc1cccc(n1)Cl 62a_100000051397_100000204255 [0,2,0,0,0,0|1,1,0]=4 8367 B14R1.1025 COC(=O)CCSc1cccc(n1)Cl 62a_100000204255_100000051397 [0,2,0,0,0,0|1,1,0]=4 8368 B14R1.1025 COC(=O)CCSc1cccc(n1)F 62a_100000204255_100009815982 [0,2,0,0,0,0|1,1,0]=4 8369 B14R1.1025 COC(=O)CCSc1cccc(n1)F 62a_100009815982_100000204255 [0,2,0,0,0,0|1,1,0]=4 8370 B14R1.1025 COC(=O)CCSc1cccc(n1)N 62a_100000204255_100000740741 [0,2,0,0,0,0|1,1,0]=4 8371 B14R1.1025 COC(=O)CCSc1cccc(n1)N 62a_100000740741_100000204255 [0,2,0,0,0,0|1,1,0]=4 8372 B14R1.1025 COC(=O)CCSc1ccnc(c1)Br 62a_100000204255_100009814637 [0,2,0,0,0,0|1,1,0]=4 8373 B14R1.1025 COC(=O)CCSc1ccnc(c1)Br 62a_100009814637_100000204255 [0,2,0,0,0,0|1,1,0]=4 8374 B14R1.1025 COC(=O)CCSc1ccnc(c1)C 62a_100000204255_100000758586 [0,2,0,0,0,0|1,1,0]=4 8375 B14R1.1025 COC(=O)CCSc1ccnc(c1)C 62a_100000758586_100000204255 [0,2,0,0,0,0|1,1,0]=4 8376 B14R1.1025 COC(=O)CCSc1ccnc(c1)Cl 62a_100000035001_100000204255 [0,2,0,0,0,0|1,1,0]=4 8377 B14R1.1025 COC(=O)CCSc1ccnc(c1)Cl 62a_100000204255_100000035001 [0,2,0,0,0,0|1,1,0]=4 8378 B14R1.1025 COC(=O)CCSc1ccnc(c1)F 62a_100000204255_100009816116 [0,2,0,0,0,0|1,1,0]=4 8379 B14R1.1025 COC(=O)CCSc1ccnc(c1)F 62a_100009816116_100000204255 [0,2,0,0,0,0|1,1,0]=4 8380 B14R1.1025 COC(=O)CCSc1ccnc(c1)N 62a_100000049665_100000204255 [0,2,0,0,0,0|1,1,0]=4 8381 B14R1.1025 COC(=O)CCSc1ccnc(c1)N 62a_100000204255_100000049665 [0,2,0,0,0,0|1,1,0]=4 8382 B14R1.1025 COC(=O)CCSc1cncc(c1)Br 62a_100000204255_100000728054 [0,2,0,0,0,0|1,1,0]=4 8383 B14R1.1025 COC(=O)CCSc1cncc(c1)Br 62a_100000728054_100000204255 [0,2,0,0,0,0|1,1,0]=4 8384 B14R1.1025 COC(=O)CCSc1cncc(c1)C 62a_100000204255_100000760492 [0,2,0,0,0,0|1,1,0]=4 8385 B14R1.1025 COC(=O)CCSc1cncc(c1)C 62a_100000760492_100000204255 [0,2,0,0,0,0|1,1,0]=4 8386 B14R1.1025 COC(=O)CCSc1cncc(c1)Cl 62a_100000049639_100000204255 [0,2,0,0,0,0|1,1,0]=4 8387 B14R1.1025 COC(=O)CCSc1cncc(c1)Cl 62a_100000204255_100000049639 [0,2,0,0,0,0|1,1,0]=4 8388 B14R1.1025 COC(=O)CCSc1cncc(c1)F 62a_100000204255_100000744099 [0,2,0,0,0,0|1,1,0]=4 8389 B14R1.1025 COC(=O)CCSc1cncc(c1)F 62a_100000744099_100000204255 [0,2,0,0,0,0|1,1,0]=4 8390 B14R1.1025 COC(=O)CCSc1cncc(c1)N 62a_100000204255_100000687067 [0,2,0,0,0,0|1,1,0]=4 8391 B14R1.1025 COC(=O)CCSc1cncc(c1)N 62a_100000687067_100000204255 [0,2,0,0,0,0|1,1,0]=4 8392 B14R1.1025 COC(=O)CCSc1cncc(c1)O 62a_100000204255_100000754920 [0,2,0,0,0,0|1,1,0]=4 8393 B14R1.1025 COC(=O)CCSc1cncc(c1)O 62a_100000754920_100000204255 [0,2,0,0,0,0|1,1,0]=4 8394 B14R1.1025 COC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747449 [0,2,0,0,0,0|2,0,0]=4 8395 B14R1.1025 COC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000747449 [0,2,0,0,0,0|2,0,0]=4 8396 B14R1.1025 COC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000747449 [0,2,0,0,0,0|2,0,0]=4 8397 B14R1.1025 COC(=O)CNCc1cccc(c1)C 34a_100000185548_100000747449 [0,2,0,0,0,0|2,0,0]=4 8398 B14R1.1025 COC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747449 [0,2,0,0,0,0|2,0,0]=4 8399 B14R1.1025 COC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000747449 [0,2,0,0,0,0|2,0,0]=4 8400 B14R1.1025 COC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747449 [0,2,0,0,0,0|2,0,0]=4 8401 B14R1.1025 COC(=O)CNCc1cccc(c1)F 34a_100000174948_100000747449 [0,2,0,0,0,0|2,0,0]=4 8402 B14R1.1025 COC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747449 [0,2,0,0,0,0|2,0,0]=4 8403 B14R1.1025 COC(=O)CNCc1cccc(c1)I 34a_100000106179_100000747449 [0,2,0,0,0,0|2,0,0]=4 8404 B14R1.1025 COC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747449 [0,2,0,0,0,0|2,0,0]=4 8405 B14R1.1025 COC(=O)CNCc1cccc(c1)O 34a_100000743036_100000747449 [0,2,0,0,0,0|2,0,0]=4 8406 B14R1.1025 COC(=O)COCc1cccc(c1)Br 34a_100000687537_100000747449 [0,2,0,0,0,0|2,0,0]=4 8407 B14R1.1025 COC(=O)COCc1cccc(c1)Br 7a_100000687537_100000747449 [0,2,0,0,0,0|2,0,0]=4 8408 B14R1.1025 COC(=O)COCc1cccc(c1)C 34a_100011217746_100000747449 [0,2,0,0,0,0|2,0,0]=4 8409 B14R1.1025 COC(=O)COCc1cccc(c1)C 7a_100011217746_100000747449 [0,2,0,0,0,0|2,0,0]=4 8410 B14R1.1025 COC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000747449 [0,2,0,0,0,0|2,0,0]=4 8411 B14R1.1025 COC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000747449 [0,2,0,0,0,0|2,0,0]=4 8412 B14R1.1025 COC(=O)COCc1cccc(c1)F 34a_100000210976_100000747449 [0,2,0,0,0,0|2,0,0]=4 8413 B14R1.1025 COC(=O)COCc1cccc(c1)F 7a_100000210976_100000747449 [0,2,0,0,0,0|2,0,0]=4 8414 B14R1.1025 COC(=O)COCc1cccc(c1)I 34a_100011215336_100000747449 [0,2,0,0,0,0|2,0,0]=4 8415 B14R1.1025 COC(=O)COCc1cccc(c1)I 7a_100011215336_100000747449 [0,2,0,0,0,0|2,0,0]=4 8416 B14R1.1025 COC(=O)COCc1cccc(c1)N 34a_100000211919_100000747449 [0,2,0,0,0,0|2,0,0]=4 8417 B14R1.1025 COC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747449 [0,2,0,0,0,0|2,0,0]=4 8418 B14R1.1025 COC(=O)CSCc1cccc(c1)Br 62a_100000747449_100000211773 [0,2,0,0,0,0|2,0,0]=4 8419 B14R1.1025 COC(=O)CSCc1cccc(c1)C 62a_100000211840_100000747449 [0,2,0,0,0,0|2,0,0]=4 8420 B14R1.1025 COC(=O)CSCc1cccc(c1)C 62a_100000747449_100000211840 [0,2,0,0,0,0|2,0,0]=4 8421 B14R1.1025 COC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747449 [0,2,0,0,0,0|2,0,0]=4 8422 B14R1.1025 COC(=O)CSCc1cccc(c1)Cl 62a_100000747449_100000187163 [0,2,0,0,0,0|2,0,0]=4 8423 B14R1.1025 COC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747449 [0,2,0,0,0,0|2,0,0]=4 8424 B14R1.1025 COC(=O)CSCc1cccc(c1)F 62a_100000747449_100000230114 [0,2,0,0,0,0|2,0,0]=4 8425 B14R1.1025 COC(=O)CSCc1cccc(c1)I 62a_100000747449_100011218688 [0,2,0,0,0,0|2,0,0]=4 8426 B14R1.1025 COC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747449 [0,2,0,0,0,0|2,0,0]=4 8427 B14R1.1025 COC(=O)CSCc1cccc(c1)O 62a_100000747449_100011660834 [0,2,0,0,0,0|2,0,0]=4 8428 B14R1.1025 COC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747449 [0,2,0,0,0,0|2,0,0]=4 8429 B14R1.1025 COC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000139417 [0,2,0,0,0,0|1,1,0]=4 8430 B14R1.1025 COC(=O)OCSc1cccc(c1)C 62a_100011215228_100000139417 [0,2,0,0,0,0|1,1,0]=4 8431 B14R1.1025 COC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000139417 [0,2,0,0,0,0|1,1,0]=4 8432 B14R1.1025 COC(=O)OCSc1cccc(c1)F 62a_100000685547_100000139417 [0,2,0,0,0,0|1,1,0]=4 8433 B14R1.1025 COC(=O)OCSc1cccc(c1)N 62a_100000210019_100000139417 [0,2,0,0,0,0|1,1,0]=4 8434 B14R1.1025 COC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000139417 [0,2,0,0,0,0|1,1,0]=4 8435 B14R1.1025 Cc1cccc(c1)CCNC(=O)CO 240690a_100000749837_100000210174 [0,2,0,0,0,0|2,0,0]=4 8436 B14R1.1025 Cc1cccc(c1)CCNC(=O)CO 527a_100000749837_100000210174 [0,2,0,0,0,0|2,0,0]=4 8437 B14R1.1025 Cc1cccc(c1)OCCC(=O)CF 1458a_100000182325_100015361967 [0,2,0,0,0,0|1,0,0]=3 8438 B14R1.1025 O=C(CF)CCCc1cccc(c1)Br 1458a_100000685939_100015361967 [0,2,0,0,0,0|2,0,0]=4 8439 B14R1.1025 O=C(CF)CCOc1cccc(c1)Br 1458a_100000183437_100015361967 [0,2,0,0,0,0|1,0,0]=3 8440 B14R1.1025 O=C(CF)CCOc1cccc(c1)Cl 1458a_100000738917_100015361967 [0,2,0,0,0,0|1,0,0]=3 8441 B14R1.1025 O=C(CF)CCOc1cccc(c1)F 1458a_100000737089_100015361967 [0,2,0,0,0,0|1,0,0]=3 8442 B14R1.1025 O=C(CO)CC#Cc1cccc(c1)Br 1458a_100000210174_100010706776 [0,2,0,0,0,0|1,0,1]=4 8443 B14R1.1025 O=C(CO)CC#Cc1cccc(c1)F 1458a_100000210174_100010402994 [0,2,0,0,0,0|1,0,1]=4 8444 B14R1.1025 O=C(CO)CCCc1cccc(c1)Br 1458a_100000210174_100011713683 [0,2,0,0,0,0|1,0,0]=3 8445 B14R1.1025 O=C(CO)CCCc1cccc(c1)F 1458a_100000210174_200000698031 [0,2,0,0,0,0|1,0,0]=3 8446 B14R1.1025 O=C(CO)CCOc1cccc(c1)Br 1458a_100000210174_100000183150 [0,2,0,0,0,0|0,0,0]=2 8447 B14R1.1025 O=C(CO)CCOc1cccc(c1)Cl 1458a_100000210174_100000181161 [0,2,0,0,0,0|0,0,0]=2 8448 B14R1.1025 O=C(CO)CCOc1cccc(c1)F 1458a_100000210174_100000739188 [0,2,0,0,0,0|0,0,0]=2 8449 B14R1.1025 O=C(CO)NCCc1cccc(c1)Br 240690a_100011207229_100000210174 [0,2,0,0,0,0|2,0,0]=4 8450 B14R1.1025 O=C(CO)NCCc1cccc(c1)Br 527a_100011207229_100000210174 [0,2,0,0,0,0|2,0,0]=4 8451 B14R1.1025 O=C(CO)NCCc1cccc(c1)Cl 240690a_100000185263_100000210174 [0,2,0,0,0,0|2,0,0]=4 8452 B14R1.1025 O=C(CO)NCCc1cccc(c1)Cl 527a_100000185263_100000210174 [0,2,0,0,0,0|2,0,0]=4 8453 B14R1.1025 O=C(CO)NCCc1cccc(c1)F 240690a_100000205154_100000210174 [0,2,0,0,0,0|2,0,0]=4 8454 B14R1.1025 O=C(CO)NCCc1cccc(c1)F 527a_100000205154_100000210174 [0,2,0,0,0,0|2,0,0]=4 8455 B14R1.1025 O=C(CO)NCCc1cccc(c1)O 240690a_100000747277_100000210174 [0,2,0,0,0,0|2,0,0]=4 8456 B14R1.1025 O=C(CO)NCCc1cccc(c1)O 527a_100000747277_100000210174 [0,2,0,0,0,0|2,0,0]=4 8457 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Br)Br 34a_100010167048_100000730704 [0,2,0,0,0,0|2,0,0]=4 8458 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000730704 [0,2,0,0,0,0|2,0,0]=4 8459 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Br)C 34a_100011999630_100000730704 [0,2,0,0,0,0|2,0,0]=4 8460 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Br)C 7a_100011999630_100000730704 [0,2,0,0,0,0|2,0,0]=4 8461 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000730704 [0,2,0,0,0,0|2,0,0]=4 8462 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000730704 [0,2,0,0,0,0|2,0,0]=4 8463 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Br)F 34a_100000688818_100000730704 [0,2,0,0,0,0|2,0,0]=4 8464 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Br)F 7a_100000688818_100000730704 [0,2,0,0,0,0|2,0,0]=4 8465 B14R1.4250 C=C(C)CCOc1cc(cc(c1)C)C 34a_100000210933_100000730704 [0,2,0,0,0,0|2,0,0]=4 8466 B14R1.4250 C=C(C)CCOc1cc(cc(c1)C)C 7a_100000210933_100000730704 [0,2,0,0,0,0|2,0,0]=4 8467 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Cl)C 34a_100000087485_100000730704 [0,2,0,0,0,0|2,0,0]=4 8468 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000730704 [0,2,0,0,0,0|2,0,0]=4 8469 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000730704 [0,2,0,0,0,0|2,0,0]=4 8470 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000730704 [0,2,0,0,0,0|2,0,0]=4 8471 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Cl)F 34a_100011219751_100000730704 [0,2,0,0,0,0|2,0,0]=4 8472 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000730704 [0,2,0,0,0,0|2,0,0]=4 8473 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Cl)N 34a_100000123917_100000730704 [0,2,0,0,0,0|2,0,0]=4 8474 B14R1.4250 C=C(C)CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000730704 [0,2,0,0,0,0|2,0,0]=4 8475 B14R1.4250 C=C(C)CCOc1cc(cc(c1)F)C 34a_100011830401_100000730704 [0,2,0,0,0,0|2,0,0]=4 8476 B14R1.4250 C=C(C)CCOc1cc(cc(c1)F)C 7a_100011830401_100000730704 [0,2,0,0,0,0|2,0,0]=4 8477 B14R1.4250 C=C(C)CCOc1cc(cc(c1)F)F 34a_100000747503_100000730704 [0,2,0,0,0,0|2,0,0]=4 8478 B14R1.4250 C=C(C)CCOc1cc(cc(c1)F)F 7a_100000747503_100000730704 [0,2,0,0,0,0|2,0,0]=4 8479 B14R1.4250 C=C(C)CCOc1cc(cc(c1)I)Br 34a_100010068917_100000730704 [0,2,0,0,0,0|2,0,0]=4 8480 B14R1.4250 C=C(C)CCOc1cc(cc(c1)I)Br 7a_100010068917_100000730704 [0,2,0,0,0,0|2,0,0]=4 8481 B14R1.4250 C=C(C)CCOc1cc(cc(c1)I)Cl 34a_100010068924_100000730704 [0,2,0,0,0,0|2,0,0]=4 8482 B14R1.4250 C=C(C)CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000730704 [0,2,0,0,0,0|2,0,0]=4 8483 B14R1.4250 C=C(C)CCOc1cc(cc(c1)I)F 34a_100000717995_100000730704 [0,2,0,0,0,0|2,0,0]=4 8484 B14R1.4250 C=C(C)CCOc1cc(cc(c1)I)F 7a_100000717995_100000730704 [0,2,0,0,0,0|2,0,0]=4 8485 B14R1.4250 C=C(C)CCOc1cc(cc(c1)N)C 34a_100011995906_100000730704 [0,2,0,0,0,0|2,0,0]=4 8486 B14R1.4250 C=C(C)CCOc1cc(cc(c1)N)C 7a_100011995906_100000730704 [0,2,0,0,0,0|2,0,0]=4 8487 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Br)Br 7a_100012047176_100000053229 [0,2,0,0,0,0|2,0,0]=4 8488 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Br)C 7a_100000695972_100000053229 [0,2,0,0,0,0|2,0,0]=4 8489 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000053229 [0,2,0,0,0,0|2,0,0]=4 8490 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Br)F 7a_100000705686_100000053229 [0,2,0,0,0,0|2,0,0]=4 8491 B14R1.4250 CC(=O)CCNc1cc(cc(c1)C)C 7a_100000210930_100000053229 [0,2,0,0,0,0|2,0,0]=4 8492 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Cl)C 7a_100012022512_100000053229 [0,2,0,0,0,0|2,0,0]=4 8493 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000053229 [0,2,0,0,0,0|2,0,0]=4 8494 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Cl)F 7a_100000686136_100000053229 [0,2,0,0,0,0|2,0,0]=4 8495 B14R1.4250 CC(=O)CCNc1cc(cc(c1)Cl)O 7a_100000123917_100000053229 [0,2,0,0,0,0|2,0,0]=4 8496 B14R1.4250 CC(=O)CCNc1cc(cc(c1)F)C 7a_100000742734_100000053229 [0,2,0,0,0,0|2,0,0]=4 8497 B14R1.4250 CC(=O)CCNc1cc(cc(c1)F)F 7a_100000233717_100000053229 [0,2,0,0,0,0|2,0,0]=4 8498 B14R1.4250 CC(=O)CCNc1cc(cc(c1)I)Br 7a_100009814763_100000053229 [0,2,0,0,0,0|2,0,0]=4 8499 B14R1.4250 CC(=O)CCNc1cc(cc(c1)I)Cl 7a_100010147676_100000053229 [0,2,0,0,0,0|2,0,0]=4 8500 B14R1.4250 CC(=O)CCNc1cc(cc(c1)I)F 7a_100011356972_100000053229 [0,2,0,0,0,0|2,0,0]=4 8501 B14R1.4250 CC(=O)CCNc1cc(cc(c1)I)I 7a_200000696836_100000053229 [0,2,0,0,0,0|2,0,0]=4 8502 B14R1.4250 CC(=O)CCNc1cc(cc(c1)O)C 7a_100011995906_100000053229 [0,2,0,0,0,0|2,0,0]=4 8503 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000053229 [0,2,0,0,0,0|1,0,0]=3 8504 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Br)C 7a_100011999630_100000053229 [0,2,0,0,0,0|1,0,0]=3 8505 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000053229 [0,2,0,0,0,0|1,0,0]=3 8506 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Br)F 7a_100000688818_100000053229 [0,2,0,0,0,0|1,0,0]=3 8507 B14R1.4250 CC(=O)CCOc1cc(cc(c1)C)C 1458a_100000070787_100000185327 [0,2,0,0,0,0|1,0,0]=3 8508 B14R1.4250 CC(=O)CCOc1cc(cc(c1)C)C 7a_100000210933_100000053229 [0,2,0,0,0,0|1,0,0]=3 8509 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000053229 [0,2,0,0,0,0|1,0,0]=3 8510 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000053229 [0,2,0,0,0,0|1,0,0]=3 8511 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000053229 [0,2,0,0,0,0|1,0,0]=3 8512 B14R1.4250 CC(=O)CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000053229 [0,2,0,0,0,0|1,0,0]=3 8513 B14R1.4250 CC(=O)CCOc1cc(cc(c1)F)C 7a_100011830401_100000053229 [0,2,0,0,0,0|1,0,0]=3 8514 B14R1.4250 CC(=O)CCOc1cc(cc(c1)F)F 7a_100000747503_100000053229 [0,2,0,0,0,0|1,0,0]=3 8515 B14R1.4250 CC(=O)CCOc1cc(cc(c1)I)Br 7a_100010068917_100000053229 [0,2,0,0,0,0|1,0,0]=3 8516 B14R1.4250 CC(=O)CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000053229 [0,2,0,0,0,0|1,0,0]=3 8517 B14R1.4250 CC(=O)CCOc1cc(cc(c1)I)F 7a_100000717995_100000053229 [0,2,0,0,0,0|1,0,0]=3 8518 B14R1.4250 CC(=O)CCOc1cc(cc(c1)N)C 7a_100011995906_100000053229 [0,2,0,0,0,0|1,0,0]=3 8519 B14R1.4250 CC(=O)CCOc1cc(nc(c1)Br)Br 7a_100010172823_100000053229 [0,2,0,0,0,0|2,0,0]=4 8520 B14R1.4250 CC(=O)CCOc1cc(oc(=O)c1)C 7a_100000210952_100000053229 [0,2,0,0,0,0|2,0,0]=4 8521 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)Br 62a_100000053229_100009814770 [0,2,0,0,0,0|1,1,0]=4 8522 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)Br 62a_100009814770_100000053229 [0,2,0,0,0,0|1,1,0]=4 8523 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)Cl 62a_100000053229_100009814755 [0,2,0,0,0,0|1,1,0]=4 8524 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000053229 [0,2,0,0,0,0|1,1,0]=4 8525 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)F 62a_100000053229_100009814764 [0,2,0,0,0,0|1,1,0]=4 8526 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)F 62a_100009814764_100000053229 [0,2,0,0,0,0|1,1,0]=4 8527 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)N 62a_100000053229_100009814763 [0,2,0,0,0,0|1,1,0]=4 8528 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)N 62a_100009814763_100000053229 [0,2,0,0,0,0|1,1,0]=4 8529 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)O 62a_100000053229_100010068917 [0,2,0,0,0,0|1,1,0]=4 8530 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Br)O 62a_100010068917_100000053229 [0,2,0,0,0,0|1,1,0]=4 8531 B14R1.4250 CC(=O)CCSc1cc(cc(c1)C)C 62a_100000053229_100011215608 [0,2,0,0,0,0|1,1,0]=4 8532 B14R1.4250 CC(=O)CCSc1cc(cc(c1)C)C 62a_100011215608_100000053229 [0,2,0,0,0,0|1,1,0]=4 8533 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)C 62a_100000053229_100010172791 [0,2,0,0,0,0|1,1,0]=4 8534 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)C 62a_100010172791_100000053229 [0,2,0,0,0,0|1,1,0]=4 8535 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)Cl 62a_100000053229_100000747138 [0,2,0,0,0,0|1,1,0]=4 8536 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000053229 [0,2,0,0,0,0|1,1,0]=4 8537 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)F 62a_100000053229_100013859453 [0,2,0,0,0,0|1,1,0]=4 8538 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)F 62a_100013859453_100000053229 [0,2,0,0,0,0|1,1,0]=4 8539 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)N 62a_100000053229_100010147676 [0,2,0,0,0,0|1,1,0]=4 8540 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)N 62a_100010147676_100000053229 [0,2,0,0,0,0|1,1,0]=4 8541 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)O 62a_100000053229_100010068924 [0,2,0,0,0,0|1,1,0]=4 8542 B14R1.4250 CC(=O)CCSc1cc(cc(c1)Cl)O 62a_100010068924_100000053229 [0,2,0,0,0,0|1,1,0]=4 8543 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)C 62a_100000053229_100011356977 [0,2,0,0,0,0|1,1,0]=4 8544 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)C 62a_100011356977_100000053229 [0,2,0,0,0,0|1,1,0]=4 8545 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)F 62a_100000053229_100000233788 [0,2,0,0,0,0|1,1,0]=4 8546 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)F 62a_100000233788_100000053229 [0,2,0,0,0,0|1,1,0]=4 8547 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)N 62a_100000053229_100011356972 [0,2,0,0,0,0|1,1,0]=4 8548 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)N 62a_100011356972_100000053229 [0,2,0,0,0,0|1,1,0]=4 8549 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)O 62a_100000053229_100000688818 [0,2,0,0,0,0|1,1,0]=4 8550 B14R1.4250 CC(=O)CCSc1cc(cc(c1)F)O 62a_100000688818_100000053229 [0,2,0,0,0,0|1,1,0]=4 8551 B14R1.4250 CC(=O)CCSc1cc(cc(c1)N)C 62a_100000053229_100000695972 [0,2,0,0,0,0|1,1,0]=4 8552 B14R1.4250 CC(=O)CCSc1cc(cc(c1)N)C 62a_100000695972_100000053229 [0,2,0,0,0,0|1,1,0]=4 8553 B14R1.4250 CC(=O)CCSc1cc(cc(c1)N)N 62a_100000053229_100011999608 [0,2,0,0,0,0|1,1,0]=4 8554 B14R1.4250 CC(=O)CCSc1cc(cc(c1)N)N 62a_100011999608_100000053229 [0,2,0,0,0,0|1,1,0]=4 8555 B14R1.4250 CC(=O)CCSc1cc(cc(c1)O)C 62a_100000053229_100011999630 [0,2,0,0,0,0|1,1,0]=4 8556 B14R1.4250 CC(=O)CCSc1cc(cc(c1)O)O 62a_100000053229_100009868816 [0,2,0,0,0,0|1,1,0]=4 8557 B14R1.4250 CC(=O)OCOc1cc(cc(c1)Br)Br 34a_100010167048_100009813279 [0,2,0,0,0,0|2,0,0]=4 8558 B14R1.4250 CC(=O)OCOc1cc(cc(c1)Br)C 34a_100011999630_100009813279 [0,2,0,0,0,0|2,0,0]=4 8559 B14R1.4250 CC(=O)OCOc1cc(cc(c1)Br)Cl 34a_100010185897_100009813279 [0,2,0,0,0,0|2,0,0]=4 8560 B14R1.4250 CC(=O)OCOc1cc(cc(c1)Br)F 34a_100000688818_100009813279 [0,2,0,0,0,0|2,0,0]=4 8561 B14R1.4250 CC(=O)OCOc1cc(cc(c1)C)C 34a_100000210933_100009813279 [0,2,0,0,0,0|2,0,0]=4 8562 B14R1.4250 CC(=O)OCOc1cc(cc(c1)Cl)C 34a_100000087485_100009813279 [0,2,0,0,0,0|2,0,0]=4 8563 B14R1.4250 CC(=O)OCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100009813279 [0,2,0,0,0,0|2,0,0]=4 8564 B14R1.4250 CC(=O)OCOc1cc(cc(c1)Cl)F 34a_100011219751_100009813279 [0,2,0,0,0,0|2,0,0]=4 8565 B14R1.4250 CC(=O)OCOc1cc(cc(c1)Cl)N 34a_100000123917_100009813279 [0,2,0,0,0,0|2,0,0]=4 8566 B14R1.4250 CC(=O)OCOc1cc(cc(c1)F)C 34a_100011830401_100009813279 [0,2,0,0,0,0|2,0,0]=4 8567 B14R1.4250 CC(=O)OCOc1cc(cc(c1)F)F 34a_100000747503_100009813279 [0,2,0,0,0,0|2,0,0]=4 8568 B14R1.4250 CC(=O)OCOc1cc(cc(c1)I)Br 34a_100010068917_100009813279 [0,2,0,0,0,0|2,0,0]=4 8569 B14R1.4250 CC(=O)OCOc1cc(cc(c1)I)Cl 34a_100010068924_100009813279 [0,2,0,0,0,0|2,0,0]=4 8570 B14R1.4250 CC(=O)OCOc1cc(cc(c1)I)F 34a_100000717995_100009813279 [0,2,0,0,0,0|2,0,0]=4 8571 B14R1.4250 CC(=O)OCOc1cc(cc(c1)N)C 34a_100011995906_100009813279 [0,2,0,0,0,0|2,0,0]=4 8572 B14R1.4250 CC(O)CCOc1cc(cc(c1)Br)Br 34a_100010167048_100012276601 [0,2,0,0,0,0|1,0,1]=4 8573 B14R1.4250 CC(O)CCOc1cc(cc(c1)Br)Br 7a_100010167048_100012276601 [0,2,0,0,0,0|1,0,1]=4 8574 B14R1.4250 CC(O)CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100012276601 [0,2,0,0,0,0|1,0,1]=4 8575 B14R1.4250 CC(O)CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100012276601 [0,2,0,0,0,0|1,0,1]=4 8576 B14R1.4250 CC(O)CCOc1cc(cc(c1)Br)F 34a_100000688818_100012276601 [0,2,0,0,0,0|1,0,1]=4 8577 B14R1.4250 CC(O)CCOc1cc(cc(c1)Br)F 7a_100000688818_100012276601 [0,2,0,0,0,0|1,0,1]=4 8578 B14R1.4250 CC(O)CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100012276601 [0,2,0,0,0,0|1,0,1]=4 8579 B14R1.4250 CC(O)CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100012276601 [0,2,0,0,0,0|1,0,1]=4 8580 B14R1.4250 CC(O)CCOc1cc(cc(c1)Cl)F 34a_100011219751_100012276601 [0,2,0,0,0,0|1,0,1]=4 8581 B14R1.4250 CC(O)CCOc1cc(cc(c1)Cl)F 7a_100011219751_100012276601 [0,2,0,0,0,0|1,0,1]=4 8582 B14R1.4250 CC(O)CCOc1cc(cc(c1)Cl)N 34a_100000123917_100012276601 [0,2,0,0,0,0|1,0,1]=4 8583 B14R1.4250 CC(O)CCOc1cc(cc(c1)Cl)N 7a_100000123917_100012276601 [0,2,0,0,0,0|1,0,1]=4 8584 B14R1.4250 CC(O)CCOc1cc(cc(c1)F)F 34a_100000747503_100012276601 [0,2,0,0,0,0|1,0,1]=4 8585 B14R1.4250 CC(O)CCOc1cc(cc(c1)F)F 7a_100000747503_100012276601 [0,2,0,0,0,0|1,0,1]=4 8586 B14R1.4250 CC(O)CCOc1cc(cc(c1)I)Br 34a_100010068917_100012276601 [0,2,0,0,0,0|1,0,1]=4 8587 B14R1.4250 CC(O)CCOc1cc(cc(c1)I)Br 7a_100010068917_100012276601 [0,2,0,0,0,0|1,0,1]=4 8588 B14R1.4250 CC(O)CCOc1cc(cc(c1)I)Cl 34a_100010068924_100012276601 [0,2,0,0,0,0|1,0,1]=4 8589 B14R1.4250 CC(O)CCOc1cc(cc(c1)I)Cl 7a_100010068924_100012276601 [0,2,0,0,0,0|1,0,1]=4 8590 B14R1.4250 CC(O)CCOc1cc(cc(c1)I)F 34a_100000717995_100012276601 [0,2,0,0,0,0|1,0,1]=4 8591 B14R1.4250 CC(O)CCOc1cc(cc(c1)I)F 7a_100000717995_100012276601 [0,2,0,0,0,0|1,0,1]=4 8592 B14R1.4250 Cc1cc(=O)cc(o1)OCCC(=O)N 34a_100016989201_100000731001 [0,2,0,0,0,0|2,0,0]=4 8593 B14R1.4250 Cc1cc(cc(=O)[nH]1)OCCC(=O)N 34a_100000039070_100000731001 [0,2,0,0,0,0|2,0,0]=4 8594 B14R1.4250 Cc1cc(cc(=O)o1)OCCC(=O)N 34a_100000210952_100000731001 [0,2,0,0,0,0|2,0,0]=4 8595 B14R1.4250 Cc1cc(cc(=O)o1)OCCC(=O)N 7a_100000210952_100000744528 [0,2,0,0,0,0|2,0,0]=4 8596 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)O)Br 269956a_100016091260_100012348363 [0,2,0,0,0,0|2,0,0]=4 8597 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)O)C 269956a_100016091260_100000181317 [0,2,0,0,0,0|2,0,0]=4 8598 B14R1.4250 Cc1cc(cc(c1)CNCC(=O)O)F 269956a_100016091260_100011219130 [0,2,0,0,0,0|2,0,0]=4 8599 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Br 34a_100000695972_100000731001 [0,2,0,0,0,0|2,0,0]=4 8600 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Br 7a_100000695972_100000744528 [0,2,0,0,0,0|2,0,0]=4 8601 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)C 2230a_100000210930_100000744528 [0,2,0,0,0,0|2,0,0]=4 8602 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)C 34a_100000210930_100000731001 [0,2,0,0,0,0|2,0,0]=4 8603 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)C 7a_100000210930_100000744528 [0,2,0,0,0,0|2,0,0]=4 8604 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Cl 2230a_100012022512_100000744528 [0,2,0,0,0,0|2,0,0]=4 8605 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Cl 34a_100012022512_100000731001 [0,2,0,0,0,0|2,0,0]=4 8606 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)Cl 7a_100012022512_100000744528 [0,2,0,0,0,0|2,0,0]=4 8607 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)F 2230a_100000742734_100000744528 [0,2,0,0,0,0|2,0,0]=4 8608 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)F 34a_100000742734_100000731001 [0,2,0,0,0,0|2,0,0]=4 8609 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)F 7a_100000742734_100000744528 [0,2,0,0,0,0|2,0,0]=4 8610 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)O 34a_100011995906_100000731001 [0,2,0,0,0,0|2,0,0]=4 8611 B14R1.4250 Cc1cc(cc(c1)NCCC(=O)N)O 7a_100011995906_100000744528 [0,2,0,0,0,0|2,0,0]=4 8612 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)Br 34a_100011999630_100000731001 [0,2,0,0,0,0|1,0,0]=3 8613 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)Br 7a_100011999630_100000744528 [0,2,0,0,0,0|1,0,0]=3 8614 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)C 34a_100000210933_100000731001 [0,2,0,0,0,0|1,0,0]=3 8615 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)C 7a_100000210933_100000744528 [0,2,0,0,0,0|1,0,0]=3 8616 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)Cl 34a_100000087485_100000731001 [0,2,0,0,0,0|1,0,0]=3 8617 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)Cl 7a_100000087485_100000744528 [0,2,0,0,0,0|1,0,0]=3 8618 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)F 34a_100011830401_100000731001 [0,2,0,0,0,0|1,0,0]=3 8619 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)F 7a_100011830401_100000744528 [0,2,0,0,0,0|1,0,0]=3 8620 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)N 34a_100011995906_100000731001 [0,2,0,0,0,0|1,0,0]=3 8621 B14R1.4250 Cc1cc(cc(c1)OCCC(=O)N)N 7a_100011995906_100000744528 [0,2,0,0,0,0|1,0,0]=3 8622 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)Br 34a_100011999630_100012276601 [0,2,0,0,0,0|1,0,1]=4 8623 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)Br 7a_100011999630_100012276601 [0,2,0,0,0,0|1,0,1]=4 8624 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)C 34a_100000210933_100012276601 [0,2,0,0,0,0|1,0,1]=4 8625 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)C 7a_100000210933_100012276601 [0,2,0,0,0,0|1,0,1]=4 8626 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)Cl 34a_100000087485_100012276601 [0,2,0,0,0,0|1,0,1]=4 8627 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)Cl 7a_100000087485_100012276601 [0,2,0,0,0,0|1,0,1]=4 8628 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)F 34a_100011830401_100012276601 [0,2,0,0,0,0|1,0,1]=4 8629 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)F 7a_100011830401_100012276601 [0,2,0,0,0,0|1,0,1]=4 8630 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)N 34a_100011995906_100012276601 [0,2,0,0,0,0|1,0,1]=4 8631 B14R1.4250 Cc1cc(cc(c1)OCCC(C)O)N 7a_100011995906_100012276601 [0,2,0,0,0,0|1,0,1]=4 8632 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)C 62a_100000744528_100011215608 [0,2,0,0,0,0|1,1,0]=4 8633 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)C 62a_100011215608_100000744528 [0,2,0,0,0,0|1,1,0]=4 8634 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)Cl 62a_100000744528_100010172791 [0,2,0,0,0,0|1,1,0]=4 8635 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)Cl 62a_100010172791_100000744528 [0,2,0,0,0,0|1,1,0]=4 8636 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)F 62a_100000744528_100011356977 [0,2,0,0,0,0|1,1,0]=4 8637 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)F 62a_100011356977_100000744528 [0,2,0,0,0,0|1,1,0]=4 8638 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)N 62a_100000695972_100000744528 [0,2,0,0,0,0|1,1,0]=4 8639 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)N 62a_100000744528_100000695972 [0,2,0,0,0,0|1,1,0]=4 8640 B14R1.4250 Cc1cc(cc(c1)SCCC(=O)N)O 62a_100000744528_100011999630 [0,2,0,0,0,0|1,1,0]=4 8641 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Br 27a_100000740010_100009814770 [0,2,0,0,0,0|2,0,0]=4 8642 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Br 34a_100012047176_100000731001 [0,2,0,0,0,0|2,0,0]=4 8643 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Br 7a_100012047176_100000744528 [0,2,0,0,0,0|2,0,0]=4 8644 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000731001 [0,2,0,0,0,0|2,0,0]=4 8645 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000744528 [0,2,0,0,0,0|2,0,0]=4 8646 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)F 34a_100000705686_100000731001 [0,2,0,0,0,0|2,0,0]=4 8647 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Br)F 7a_100000705686_100000744528 [0,2,0,0,0,0|2,0,0]=4 8648 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000731001 [0,2,0,0,0,0|2,0,0]=4 8649 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000744528 [0,2,0,0,0,0|2,0,0]=4 8650 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)F 34a_100000686136_100000731001 [0,2,0,0,0,0|2,0,0]=4 8651 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)F 7a_100000686136_100000744528 [0,2,0,0,0,0|2,0,0]=4 8652 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)O 34a_100000123917_100000731001 [0,2,0,0,0,0|2,0,0]=4 8653 B14R1.4250 NC(=O)CCNc1cc(cc(c1)Cl)O 7a_100000123917_100000744528 [0,2,0,0,0,0|2,0,0]=4 8654 B14R1.4250 NC(=O)CCNc1cc(cc(c1)F)F 34a_100000233717_100000731001 [0,2,0,0,0,0|2,0,0]=4 8655 B14R1.4250 NC(=O)CCNc1cc(cc(c1)F)F 7a_100000233717_100000744528 [0,2,0,0,0,0|2,0,0]=4 8656 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)Br 7a_100009814763_100000744528 [0,2,0,0,0,0|2,0,0]=4 8657 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)Cl 7a_100010147676_100000744528 [0,2,0,0,0,0|2,0,0]=4 8658 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)F 34a_100011356972_100000731001 [0,2,0,0,0,0|2,0,0]=4 8659 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)F 7a_100011356972_100000744528 [0,2,0,0,0,0|2,0,0]=4 8660 B14R1.4250 NC(=O)CCNc1cc(cc(c1)I)I 7a_200000696836_100000744528 [0,2,0,0,0,0|2,0,0]=4 8661 B14R1.4250 NC(=O)CCNc1cc(cc(c1)O)O 34a_100000043371_100000731001 [0,2,0,0,0,0|2,0,0]=4 8662 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)Br 34a_100010167048_100000731001 [0,2,0,0,0,0|1,0,0]=3 8663 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000744528 [0,2,0,0,0,0|1,0,0]=3 8664 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000731001 [0,2,0,0,0,0|1,0,0]=3 8665 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000744528 [0,2,0,0,0,0|1,0,0]=3 8666 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)F 34a_100000688818_100000731001 [0,2,0,0,0,0|1,0,0]=3 8667 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Br)F 7a_100000688818_100000744528 [0,2,0,0,0,0|1,0,0]=3 8668 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000731001 [0,2,0,0,0,0|1,0,0]=3 8669 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000744528 [0,2,0,0,0,0|1,0,0]=3 8670 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)F 34a_100011219751_100000731001 [0,2,0,0,0,0|1,0,0]=3 8671 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000744528 [0,2,0,0,0,0|1,0,0]=3 8672 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)N 34a_100000123917_100000731001 [0,2,0,0,0,0|1,0,0]=3 8673 B14R1.4250 NC(=O)CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000744528 [0,2,0,0,0,0|1,0,0]=3 8674 B14R1.4250 NC(=O)CCOc1cc(cc(c1)F)F 34a_100000747503_100000731001 [0,2,0,0,0,0|1,0,0]=3 8675 B14R1.4250 NC(=O)CCOc1cc(cc(c1)F)F 7a_100000747503_100000744528 [0,2,0,0,0,0|1,0,0]=3 8676 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)Br 34a_100010068917_100000731001 [0,2,0,0,0,0|1,0,0]=3 8677 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)Br 7a_100010068917_100000744528 [0,2,0,0,0,0|1,0,0]=3 8678 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)Cl 34a_100010068924_100000731001 [0,2,0,0,0,0|1,0,0]=3 8679 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000744528 [0,2,0,0,0,0|1,0,0]=3 8680 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)F 34a_100000717995_100000731001 [0,2,0,0,0,0|1,0,0]=3 8681 B14R1.4250 NC(=O)CCOc1cc(cc(c1)I)F 7a_100000717995_100000744528 [0,2,0,0,0,0|1,0,0]=3 8682 B14R1.4250 NC(=O)CCOc1cc(nc(c1)Br)Br 34a_100010172823_100000731001 [0,2,0,0,0,0|2,0,0]=4 8683 B14R1.4250 NC(=O)CCOc1cc(nc(c1)Br)Br 7a_100010172823_100000744528 [0,2,0,0,0,0|2,0,0]=4 8684 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)Br 62a_100000744528_100009814770 [0,2,0,0,0,0|1,1,0]=4 8685 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)Br 62a_100009814770_100000744528 [0,2,0,0,0,0|1,1,0]=4 8686 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)Cl 62a_100000744528_100009814755 [0,2,0,0,0,0|1,1,0]=4 8687 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000744528 [0,2,0,0,0,0|1,1,0]=4 8688 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)F 62a_100000744528_100009814764 [0,2,0,0,0,0|1,1,0]=4 8689 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)F 62a_100009814764_100000744528 [0,2,0,0,0,0|1,1,0]=4 8690 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)N 62a_100000744528_100009814763 [0,2,0,0,0,0|1,1,0]=4 8691 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)N 62a_100009814763_100000744528 [0,2,0,0,0,0|1,1,0]=4 8692 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)O 62a_100000744528_100010068917 [0,2,0,0,0,0|1,1,0]=4 8693 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Br)O 62a_100010068917_100000744528 [0,2,0,0,0,0|1,1,0]=4 8694 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)Cl 62a_100000744528_100000747138 [0,2,0,0,0,0|1,1,0]=4 8695 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000744528 [0,2,0,0,0,0|1,1,0]=4 8696 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)F 62a_100000744528_100013859453 [0,2,0,0,0,0|1,1,0]=4 8697 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)F 62a_100013859453_100000744528 [0,2,0,0,0,0|1,1,0]=4 8698 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)N 62a_100000744528_100010147676 [0,2,0,0,0,0|1,1,0]=4 8699 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)N 62a_100010147676_100000744528 [0,2,0,0,0,0|1,1,0]=4 8700 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)O 62a_100000744528_100010068924 [0,2,0,0,0,0|1,1,0]=4 8701 B14R1.4250 NC(=O)CCSc1cc(cc(c1)Cl)O 62a_100010068924_100000744528 [0,2,0,0,0,0|1,1,0]=4 8702 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)F 62a_100000233788_100000744528 [0,2,0,0,0,0|1,1,0]=4 8703 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)F 62a_100000744528_100000233788 [0,2,0,0,0,0|1,1,0]=4 8704 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)N 62a_100000744528_100011356972 [0,2,0,0,0,0|1,1,0]=4 8705 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)N 62a_100011356972_100000744528 [0,2,0,0,0,0|1,1,0]=4 8706 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)O 62a_100000688818_100000744528 [0,2,0,0,0,0|1,1,0]=4 8707 B14R1.4250 NC(=O)CCSc1cc(cc(c1)F)O 62a_100000744528_100000688818 [0,2,0,0,0,0|1,1,0]=4 8708 B14R1.4250 NC(=O)CCSc1cc(cc(c1)N)N 62a_100000744528_100011999608 [0,2,0,0,0,0|1,1,0]=4 8709 B14R1.4250 NC(=O)CCSc1cc(cc(c1)N)N 62a_100011999608_100000744528 [0,2,0,0,0,0|1,1,0]=4 8710 B14R1.4250 NC(=O)CCSc1cc(cc(c1)O)O 62a_100000744528_100009868816 [0,2,0,0,0,0|1,1,0]=4 8711 B14R1.4250 O=C(O)CNCc1cc(cc(c1)Br)Br 269956a_100016091260_100011216082 [0,2,0,0,0,0|2,0,0]=4 8712 B14R1.4250 O=C(O)CNCc1cc(cc(c1)Br)F 269956a_100016091260_100000766940 [0,2,0,0,0,0|2,0,0]=4 8713 B14R1.4250 O=C(O)CNCc1cc(cc(c1)Cl)Cl 269956a_100016091260_100011219208 [0,2,0,0,0,0|2,0,0]=4 8714 B14R1.4250 O=C(O)CNCc1cc(cc(c1)Cl)F 269956a_100016091260_100011219885 [0,2,0,0,0,0|2,0,0]=4 8715 B14R1.4250 O=C(O)CNCc1cc(cc(c1)F)F 269956a_100016091260_100000697002 [0,2,0,0,0,0|2,0,0]=4 8716 B14R1.4250 O=C(O)CNCc1cc(cc(c1)I)Br 269956a_100016091260_100010146614 [0,2,0,0,0,0|2,0,0]=4 8717 B14R1.4250 O=C(O)CNCc1cc(cc(c1)I)F 269956a_100016091260_100010149605 [0,2,0,0,0,0|2,0,0]=4 8718 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)Br 34a_100000210342_100011261029 [0,2,0,0,0,0|1,0,1]=4 8719 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)C 34a_100000210337_100011261029 [0,2,0,0,0,0|1,0,1]=4 8720 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)Cl 34a_100000210295_100011261029 [0,2,0,0,0,0|1,0,1]=4 8721 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)F 34a_100000210426_100011261029 [0,2,0,0,0,0|1,0,1]=4 8722 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)I 34a_100000211634_100011261029 [0,2,0,0,0,0|1,0,1]=4 8723 B14R1.5956 CC(=O)C(=O)COc1cccc(c1)N 34a_100000210217_100011261029 [0,2,0,0,0,0|1,0,1]=4 8724 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100000211773 [0,2,0,0,0,0|2,0,0]=4 8725 B14R1.5956 C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100000187163 [0,2,0,0,0,0|2,0,0]=4 8726 B14R1.5956 C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100000743915_100000230114 [0,2,0,0,0,0|2,0,0]=4 8727 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100000743915_100011218688 [0,2,0,0,0,0|2,0,0]=4 8728 B14R1.5956 C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100000743915_100011660834 [0,2,0,0,0,0|2,0,0]=4 8729 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000005736 [0,2,0,0,0,0|2,0,0]=4 8730 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_100000746989_100000211773 [0,2,0,0,0,0|2,0,0]=4 8731 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200000210301 [0,2,0,0,0,0|2,0,0]=4 8732 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Cl 269956a_100000746989_100000187163 [0,2,0,0,0,0|2,0,0]=4 8733 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)F 269956a_100000746989_100000230114 [0,2,0,0,0,0|2,0,0]=4 8734 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)I 269956a_100000746989_100011218688 [0,2,0,0,0,0|2,0,0]=4 8735 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)O 269956a_100000746989_100011660834 [0,2,0,0,0,0|2,0,0]=4 8736 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)O 269956a_100000746989_100000005736 [0,2,0,0,0,0|2,0,0]=4 8737 B14R1.5978 [13CH3]N(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200025704644 [0,2,0,0,0,0|2,0,0]=4 8738 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)Br 34a_100011220040_100000730704 [0,2,0,0,0,0|2,0,0]=4 8739 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)Br 7a_100011220040_100000730704 [0,2,0,0,0,0|2,0,0]=4 8740 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)C 34a_100012002257_100000730704 [0,2,0,0,0,0|2,0,0]=4 8741 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)C 7a_100012002257_100000730704 [0,2,0,0,0,0|2,0,0]=4 8742 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)Cl 34a_100012339455_100000730704 [0,2,0,0,0,0|2,0,0]=4 8743 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)Cl 7a_100012339455_100000730704 [0,2,0,0,0,0|2,0,0]=4 8744 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)F 34a_100000690578_100000730704 [0,2,0,0,0,0|2,0,0]=4 8745 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)F 7a_100000690578_100000730704 [0,2,0,0,0,0|2,0,0]=4 8746 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)I 34a_100012356990_100000730704 [0,2,0,0,0,0|2,0,0]=4 8747 B14R1.6072 C=C(C)CCOc1cc(ccc1Br)I 7a_100012356990_100000730704 [0,2,0,0,0,0|2,0,0]=4 8748 B14R1.6072 C=C(C)CCOc1cc(ccc1C)Br 34a_100000685420_100000730704 [0,2,0,0,0,0|2,0,0]=4 8749 B14R1.6072 C=C(C)CCOc1cc(ccc1C)Br 7a_100000685420_100000730704 [0,2,0,0,0,0|2,0,0]=4 8750 B14R1.6072 C=C(C)CCOc1cc(ccc1C)C 34a_100000210931_100000730704 [0,2,0,0,0,0|2,0,0]=4 8751 B14R1.6072 C=C(C)CCOc1cc(ccc1C)C 7a_100000210931_100000730704 [0,2,0,0,0,0|2,0,0]=4 8752 B14R1.6072 C=C(C)CCOc1cc(ccc1C)Cl 34a_100000756515_100000730704 [0,2,0,0,0,0|2,0,0]=4 8753 B14R1.6072 C=C(C)CCOc1cc(ccc1C)Cl 7a_100000756515_100000730704 [0,2,0,0,0,0|2,0,0]=4 8754 B14R1.6072 C=C(C)CCOc1cc(ccc1C)F 34a_100000690566_100000730704 [0,2,0,0,0,0|2,0,0]=4 8755 B14R1.6072 C=C(C)CCOc1cc(ccc1C)F 7a_100000690566_100000730704 [0,2,0,0,0,0|2,0,0]=4 8756 B14R1.6072 C=C(C)CCOc1cc(ccc1C)I 7a_100000766334_100000730704 [0,2,0,0,0,0|2,0,0]=4 8757 B14R1.6072 C=C(C)CCOc1cc(ccc1C)N 34a_100000759471_100000730704 [0,2,0,0,0,0|2,0,0]=4 8758 B14R1.6072 C=C(C)CCOc1cc(ccc1C)N 7a_100000759471_100000730704 [0,2,0,0,0,0|2,0,0]=4 8759 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)Br 34a_100000738945_100000730704 [0,2,0,0,0,0|2,0,0]=4 8760 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)Br 7a_100000738945_100000730704 [0,2,0,0,0,0|2,0,0]=4 8761 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)C 34a_100000211493_100000730704 [0,2,0,0,0,0|2,0,0]=4 8762 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)C 7a_100000211493_100000730704 [0,2,0,0,0,0|2,0,0]=4 8763 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000730704 [0,2,0,0,0,0|2,0,0]=4 8764 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000730704 [0,2,0,0,0,0|2,0,0]=4 8765 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)F 34a_100000692107_100000730704 [0,2,0,0,0,0|2,0,0]=4 8766 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)F 7a_100000692107_100000730704 [0,2,0,0,0,0|2,0,0]=4 8767 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)I 34a_100011356854_100000730704 [0,2,0,0,0,0|2,0,0]=4 8768 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)I 7a_100011356854_100000730704 [0,2,0,0,0,0|2,0,0]=4 8769 B14R1.6072 C=C(C)CCOc1cc(ccc1Cl)N 34a_100011934209_100000730704 [0,2,0,0,0,0|2,0,0]=4 8770 B14R1.6072 C=C(C)CCOc1cc(ccc1F)Br 34a_100000686035_100000730704 [0,2,0,0,0,0|2,0,0]=4 8771 B14R1.6072 C=C(C)CCOc1cc(ccc1F)Br 7a_100000686035_100000730704 [0,2,0,0,0,0|2,0,0]=4 8772 B14R1.6072 C=C(C)CCOc1cc(ccc1F)C 34a_100000759540_100000730704 [0,2,0,0,0,0|2,0,0]=4 8773 B14R1.6072 C=C(C)CCOc1cc(ccc1F)C 7a_100000759540_100000730704 [0,2,0,0,0,0|2,0,0]=4 8774 B14R1.6072 C=C(C)CCOc1cc(ccc1F)Cl 34a_100000757397_100000730704 [0,2,0,0,0,0|2,0,0]=4 8775 B14R1.6072 C=C(C)CCOc1cc(ccc1F)Cl 7a_100000757397_100000730704 [0,2,0,0,0,0|2,0,0]=4 8776 B14R1.6072 C=C(C)CCOc1cc(ccc1F)F 34a_100000752141_100000730704 [0,2,0,0,0,0|2,0,0]=4 8777 B14R1.6072 C=C(C)CCOc1cc(ccc1F)F 7a_100000752141_100000730704 [0,2,0,0,0,0|2,0,0]=4 8778 B14R1.6072 C=C(C)CCOc1cc(ccc1F)I 34a_100009958187_100000730704 [0,2,0,0,0,0|2,0,0]=4 8779 B14R1.6072 C=C(C)CCOc1cc(ccc1F)I 7a_100009958187_100000730704 [0,2,0,0,0,0|2,0,0]=4 8780 B14R1.6072 C=C(C)CCOc1cc(ccc1F)N 34a_100012017398_100000730704 [0,2,0,0,0,0|2,0,0]=4 8781 B14R1.6072 C=C(C)CCOc1cc(ccc1F)N 7a_100012017398_100000730704 [0,2,0,0,0,0|2,0,0]=4 8782 B14R1.6072 C=C(C)CCOc1cc(ccc1I)Br 34a_100012344904_100000730704 [0,2,0,0,0,0|2,0,0]=4 8783 B14R1.6072 C=C(C)CCOc1cc(ccc1I)Br 7a_100012344904_100000730704 [0,2,0,0,0,0|2,0,0]=4 8784 B14R1.6072 C=C(C)CCOc1cc(ccc1I)Cl 34a_100000050036_100000730704 [0,2,0,0,0,0|2,0,0]=4 8785 B14R1.6072 C=C(C)CCOc1cc(ccc1I)Cl 7a_100000050036_100000730704 [0,2,0,0,0,0|2,0,0]=4 8786 B14R1.6072 C=C(C)CCOc1cc(ccc1I)F 34a_100010084537_100000730704 [0,2,0,0,0,0|2,0,0]=4 8787 B14R1.6072 C=C(C)CCOc1cc(ccc1I)F 7a_100010084537_100000730704 [0,2,0,0,0,0|2,0,0]=4 8788 B14R1.6072 C=C(C)CCOc1cc(ccc1N)Br 34a_100000739049_100000730704 [0,2,0,0,0,0|2,0,0]=4 8789 B14R1.6072 C=C(C)CCOc1cc(ccc1N)Br 7a_100000739049_100000730704 [0,2,0,0,0,0|2,0,0]=4 8790 B14R1.6072 C=C(C)CCOc1cc(ccc1N)C 34a_100000211527_100000730704 [0,2,0,0,0,0|2,0,0]=4 8791 B14R1.6072 C=C(C)CCOc1cc(ccc1N)C 7a_100000211527_100000730704 [0,2,0,0,0,0|2,0,0]=4 8792 B14R1.6072 C=C(C)CCOc1cc(ccc1N)Cl 34a_100000185728_100000730704 [0,2,0,0,0,0|2,0,0]=4 8793 B14R1.6072 C=C(C)CCOc1cc(ccc1N)Cl 7a_100000185728_100000730704 [0,2,0,0,0,0|2,0,0]=4 8794 B14R1.6072 C=C(C)CCOc1cc(ccc1N)F 34a_100000753323_100000730704 [0,2,0,0,0,0|2,0,0]=4 8795 B14R1.6072 C=C(C)CCOc1cc(ccc1N)F 7a_100000753323_100000730704 [0,2,0,0,0,0|2,0,0]=4 8796 B14R1.6072 C=C(C)CCOc1cc(ccc1N)I 34a_100000057187_100000730704 [0,2,0,0,0,0|2,0,0]=4 8797 B14R1.6072 C=C(C)CCOc1cc(ccc1N)I 7a_100000057187_100000730704 [0,2,0,0,0,0|2,0,0]=4 8798 B14R1.6072 C=C(C)CCOc1cc(ccc1N)N 34a_100025717382_100000730704 [0,2,0,0,0,0|2,0,0]=4 8799 B14R1.6072 CC(=O)CCNc1cc(ccc1C)Br 7a_100000741167_100000053229 [0,2,0,0,0,0|2,0,0]=4 8800 B14R1.6072 CC(=O)CCNc1cc(ccc1C)C 7a_100000185781_100000053229 [0,2,0,0,0,0|2,0,0]=4 8801 B14R1.6072 CC(=O)CCNc1cc(ccc1C)Cl 7a_100000211374_100000053229 [0,2,0,0,0,0|2,0,0]=4 8802 B14R1.6072 CC(=O)CCNc1cc(ccc1C)F 7a_100000211107_100000053229 [0,2,0,0,0,0|2,0,0]=4 8803 B14R1.6072 CC(=O)CCNc1cc(ccc1C)I 7a_100000761890_100000053229 [0,2,0,0,0,0|2,0,0]=4 8804 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)Br 7a_100011220040_100000053229 [0,2,0,0,0,0|1,0,0]=3 8805 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)C 7a_100012002257_100000053229 [0,2,0,0,0,0|1,0,0]=3 8806 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)Cl 7a_100012339455_100000053229 [0,2,0,0,0,0|1,0,0]=3 8807 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)F 7a_100000690578_100000053229 [0,2,0,0,0,0|1,0,0]=3 8808 B14R1.6072 CC(=O)CCOc1cc(ccc1Br)I 7a_100012356990_100000053229 [0,2,0,0,0,0|1,0,0]=3 8809 B14R1.6072 CC(=O)CCOc1cc(ccc1C)Br 7a_100000685420_100000053229 [0,2,0,0,0,0|1,0,0]=3 8810 B14R1.6072 CC(=O)CCOc1cc(ccc1C)C 1458a_100000183344_200000210301 [0,2,0,0,0,0|1,0,0]=3 8811 B14R1.6072 CC(=O)CCOc1cc(ccc1C)C 7a_100000210931_100000053229 [0,2,0,0,0,0|1,0,0]=3 8812 B14R1.6072 CC(=O)CCOc1cc(ccc1C)Cl 7a_100000756515_100000053229 [0,2,0,0,0,0|1,0,0]=3 8813 B14R1.6072 CC(=O)CCOc1cc(ccc1C)F 7a_100000690566_100000053229 [0,2,0,0,0,0|1,0,0]=3 8814 B14R1.6072 CC(=O)CCOc1cc(ccc1C)I 7a_100000766334_100000053229 [0,2,0,0,0,0|1,0,0]=3 8815 B14R1.6072 CC(=O)CCOc1cc(ccc1C)N 7a_100000759471_100000053229 [0,2,0,0,0,0|1,0,0]=3 8816 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)Br 7a_100000738945_100000053229 [0,2,0,0,0,0|1,0,0]=3 8817 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)C 1458a_100000070787_100011277402 [0,2,0,0,0,0|1,0,0]=3 8818 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)C 7a_100000211493_100000053229 [0,2,0,0,0,0|1,0,0]=3 8819 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)Cl 1458a_100000070787_100000198575 [0,2,0,0,0,0|1,0,0]=3 8820 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000053229 [0,2,0,0,0,0|1,0,0]=3 8821 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)F 7a_100000692107_100000053229 [0,2,0,0,0,0|1,0,0]=3 8822 B14R1.6072 CC(=O)CCOc1cc(ccc1Cl)I 7a_100011356854_100000053229 [0,2,0,0,0,0|1,0,0]=3 8823 B14R1.6072 CC(=O)CCOc1cc(ccc1F)Br 7a_100000686035_100000053229 [0,2,0,0,0,0|1,0,0]=3 8824 B14R1.6072 CC(=O)CCOc1cc(ccc1F)C 7a_100000759540_100000053229 [0,2,0,0,0,0|1,0,0]=3 8825 B14R1.6072 CC(=O)CCOc1cc(ccc1F)Cl 7a_100000757397_100000053229 [0,2,0,0,0,0|1,0,0]=3 8826 B14R1.6072 CC(=O)CCOc1cc(ccc1F)F 7a_100000752141_100000053229 [0,2,0,0,0,0|1,0,0]=3 8827 B14R1.6072 CC(=O)CCOc1cc(ccc1F)I 7a_100009958187_100000053229 [0,2,0,0,0,0|1,0,0]=3 8828 B14R1.6072 CC(=O)CCOc1cc(ccc1F)N 7a_100012017398_100000053229 [0,2,0,0,0,0|1,0,0]=3 8829 B14R1.6072 CC(=O)CCOc1cc(ccc1I)Br 7a_100012344904_100000053229 [0,2,0,0,0,0|1,0,0]=3 8830 B14R1.6072 CC(=O)CCOc1cc(ccc1I)Cl 7a_100000050036_100000053229 [0,2,0,0,0,0|1,0,0]=3 8831 B14R1.6072 CC(=O)CCOc1cc(ccc1I)F 7a_100010084537_100000053229 [0,2,0,0,0,0|1,0,0]=3 8832 B14R1.6072 CC(=O)CCOc1cc(ccc1N)Br 7a_100000739049_100000053229 [0,2,0,0,0,0|1,0,0]=3 8833 B14R1.6072 CC(=O)CCOc1cc(ccc1N)C 7a_100000211527_100000053229 [0,2,0,0,0,0|1,0,0]=3 8834 B14R1.6072 CC(=O)CCOc1cc(ccc1N)Cl 7a_100000185728_100000053229 [0,2,0,0,0,0|1,0,0]=3 8835 B14R1.6072 CC(=O)CCOc1cc(ccc1N)F 7a_100000753323_100000053229 [0,2,0,0,0,0|1,0,0]=3 8836 B14R1.6072 CC(=O)CCOc1cc(ccc1N)I 7a_100000057187_100000053229 [0,2,0,0,0,0|1,0,0]=3 8837 B14R1.6072 CC(=O)CCOc1cc(cnc1Br)Cl 7a_100000697010_100000053229 [0,2,0,0,0,0|2,0,0]=4 8838 B14R1.6072 CC(=O)CCOc1cc(cnc1Br)F 7a_100009820119_100000053229 [0,2,0,0,0,0|2,0,0]=4 8839 B14R1.6072 CC(=O)CCOc1cc(cnc1C)Br 7a_100009864810_100000053229 [0,2,0,0,0,0|2,0,0]=4 8840 B14R1.6072 CC(=O)CCOc1cc(cnc1Cl)Br 7a_100012354860_100000053229 [0,2,0,0,0,0|2,0,0]=4 8841 B14R1.6072 CC(=O)CCOc1cc(cnc1Cl)C 7a_100012000487_100000053229 [0,2,0,0,0,0|2,0,0]=4 8842 B14R1.6072 CC(=O)CCOc1cc(cnc1Cl)F 7a_100000079967_100000053229 [0,2,0,0,0,0|2,0,0]=4 8843 B14R1.6072 CC(=O)CCOc1cc(cnc1F)Br 7a_100009819871_100000053229 [0,2,0,0,0,0|2,0,0]=4 8844 B14R1.6072 CC(=O)CCOc1cc(cnc1F)C 7a_100009849810_100000053229 [0,2,0,0,0,0|2,0,0]=4 8845 B14R1.6072 CC(=O)CCOc1cc(cnc1F)Cl 7a_100000094372_100000053229 [0,2,0,0,0,0|2,0,0]=4 8846 B14R1.6072 CC(=O)CCOc1cc(cnc1I)Br 7a_100010210634_100000053229 [0,2,0,0,0,0|2,0,0]=4 8847 B14R1.6072 CC(=O)CCOc1cc(cnc1I)Cl 7a_100010233512_100000053229 [0,2,0,0,0,0|2,0,0]=4 8848 B14R1.6072 CC(=O)CCOc1cc(cnc1I)F 7a_100015624800_100000053229 [0,2,0,0,0,0|2,0,0]=4 8849 B14R1.6072 CC(=O)CCOc1cc(cnc1N)Br 7a_100009819042_100000053229 [0,2,0,0,0,0|2,0,0]=4 8850 B14R1.6072 CC(=O)CCOc1cc(cnc1N)Cl 7a_100000123674_100000053229 [0,2,0,0,0,0|2,0,0]=4 8851 B14R1.6072 CC(=O)CCOc1cc(cnc1N)F 7a_100000094369_100000053229 [0,2,0,0,0,0|2,0,0]=4 8852 B14R1.6072 CC(=O)CCOc1cc(ncc1C)Br 7a_100000704368_100000053229 [0,2,0,0,0,0|2,0,0]=4 8853 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)Br 62a_100000053229_100011483371 [0,2,0,0,0,0|1,1,0]=4 8854 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)Br 62a_100011483371_100000053229 [0,2,0,0,0,0|1,1,0]=4 8855 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)C 62a_100000053229_100012353751 [0,2,0,0,0,0|1,1,0]=4 8856 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)C 62a_100012353751_100000053229 [0,2,0,0,0,0|1,1,0]=4 8857 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)Cl 62a_100000053229_100012339723 [0,2,0,0,0,0|1,1,0]=4 8858 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)Cl 62a_100012339723_100000053229 [0,2,0,0,0,0|1,1,0]=4 8859 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)F 62a_100000053229_100011217576 [0,2,0,0,0,0|1,1,0]=4 8860 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)F 62a_100011217576_100000053229 [0,2,0,0,0,0|1,1,0]=4 8861 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)N 62a_100000053229_100000750459 [0,2,0,0,0,0|1,1,0]=4 8862 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)N 62a_100000750459_100000053229 [0,2,0,0,0,0|1,1,0]=4 8863 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)O 62a_100000053229_100012339312 [0,2,0,0,0,0|1,1,0]=4 8864 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)O 62a_100012339312_100000053229 [0,2,0,0,0,0|1,1,0]=4 8865 B14R1.6072 CC(=O)CCSc1cc(ccc1C)Br 62a_100000053229_100011344865 [0,2,0,0,0,0|1,1,0]=4 8866 B14R1.6072 CC(=O)CCSc1cc(ccc1C)Br 62a_100011344865_100000053229 [0,2,0,0,0,0|1,1,0]=4 8867 B14R1.6072 CC(=O)CCSc1cc(ccc1C)C 62a_100000053229_100000210833 [0,2,0,0,0,0|1,1,0]=4 8868 B14R1.6072 CC(=O)CCSc1cc(ccc1C)C 62a_100000210833_100000053229 [0,2,0,0,0,0|1,1,0]=4 8869 B14R1.6072 CC(=O)CCSc1cc(ccc1C)Cl 62a_100000053229_100011263213 [0,2,0,0,0,0|1,1,0]=4 8870 B14R1.6072 CC(=O)CCSc1cc(ccc1C)Cl 62a_100011263213_100000053229 [0,2,0,0,0,0|1,1,0]=4 8871 B14R1.6072 CC(=O)CCSc1cc(ccc1C)F 62a_100000053229_100011218078 [0,2,0,0,0,0|1,1,0]=4 8872 B14R1.6072 CC(=O)CCSc1cc(ccc1C)F 62a_100011218078_100000053229 [0,2,0,0,0,0|1,1,0]=4 8873 B14R1.6072 CC(=O)CCSc1cc(ccc1C)N 62a_100000053229_100000736455 [0,2,0,0,0,0|1,1,0]=4 8874 B14R1.6072 CC(=O)CCSc1cc(ccc1C)N 62a_100000736455_100000053229 [0,2,0,0,0,0|1,1,0]=4 8875 B14R1.6072 CC(=O)CCSc1cc(ccc1C)O 62a_100000053229_100011380479 [0,2,0,0,0,0|1,1,0]=4 8876 B14R1.6072 CC(=O)CCSc1cc(ccc1C)O 62a_100011380479_100000053229 [0,2,0,0,0,0|1,1,0]=4 8877 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Br 62a_100000053229_100011772130 [0,2,0,0,0,0|1,1,0]=4 8878 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Br 62a_100011772130_100000053229 [0,2,0,0,0,0|1,1,0]=4 8879 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)C 62a_100000053229_100012356289 [0,2,0,0,0,0|1,1,0]=4 8880 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)C 62a_100012356289_100000053229 [0,2,0,0,0,0|1,1,0]=4 8881 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Cl 1458a_100000070787_100000180180 [0,2,0,0,0,0|1,1,0]=4 8882 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Cl 62a_100000053229_100000707729 [0,2,0,0,0,0|1,1,0]=4 8883 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000053229 [0,2,0,0,0,0|1,1,0]=4 8884 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)F 62a_100000053229_100011217299 [0,2,0,0,0,0|1,1,0]=4 8885 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)F 62a_100011217299_100000053229 [0,2,0,0,0,0|1,1,0]=4 8886 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)N 62a_100000053229_100012360549 [0,2,0,0,0,0|1,1,0]=4 8887 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)N 62a_100012360549_100000053229 [0,2,0,0,0,0|1,1,0]=4 8888 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)O 62a_100000049588_100000053229 [0,2,0,0,0,0|1,1,0]=4 8889 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)O 62a_100000053229_100000049588 [0,2,0,0,0,0|1,1,0]=4 8890 B14R1.6072 CC(=O)CCSc1cc(ccc1F)Br 62a_100000053229_100011217312 [0,2,0,0,0,0|1,1,0]=4 8891 B14R1.6072 CC(=O)CCSc1cc(ccc1F)Br 62a_100011217312_100000053229 [0,2,0,0,0,0|1,1,0]=4 8892 B14R1.6072 CC(=O)CCSc1cc(ccc1F)C 62a_100000053229_100000736223 [0,2,0,0,0,0|1,1,0]=4 8893 B14R1.6072 CC(=O)CCSc1cc(ccc1F)C 62a_100000736223_100000053229 [0,2,0,0,0,0|1,1,0]=4 8894 B14R1.6072 CC(=O)CCSc1cc(ccc1F)Cl 62a_100000053229_100011218116 [0,2,0,0,0,0|1,1,0]=4 8895 B14R1.6072 CC(=O)CCSc1cc(ccc1F)Cl 62a_100011218116_100000053229 [0,2,0,0,0,0|1,1,0]=4 8896 B14R1.6072 CC(=O)CCSc1cc(ccc1F)F 62a_100000053229_100011219198 [0,2,0,0,0,0|1,1,0]=4 8897 B14R1.6072 CC(=O)CCSc1cc(ccc1F)F 62a_100011219198_100000053229 [0,2,0,0,0,0|1,1,0]=4 8898 B14R1.6072 CC(=O)CCSc1cc(ccc1F)N 62a_100000053229_100000760356 [0,2,0,0,0,0|1,1,0]=4 8899 B14R1.6072 CC(=O)CCSc1cc(ccc1F)N 62a_100000760356_100000053229 [0,2,0,0,0,0|1,1,0]=4 8900 B14R1.6072 CC(=O)CCSc1cc(ccc1F)O 62a_100000053229_100000693481 [0,2,0,0,0,0|1,1,0]=4 8901 B14R1.6072 CC(=O)CCSc1cc(ccc1F)O 62a_100000693481_100000053229 [0,2,0,0,0,0|1,1,0]=4 8902 B14R1.6072 CC(=O)CCSc1cc(ccc1N)Br 62a_100000053229_100000187925 [0,2,0,0,0,0|1,1,0]=4 8903 B14R1.6072 CC(=O)CCSc1cc(ccc1N)Br 62a_100000187925_100000053229 [0,2,0,0,0,0|1,1,0]=4 8904 B14R1.6072 CC(=O)CCSc1cc(ccc1N)C 62a_100000053229_100011356834 [0,2,0,0,0,0|1,1,0]=4 8905 B14R1.6072 CC(=O)CCSc1cc(ccc1N)C 62a_100011356834_100000053229 [0,2,0,0,0,0|1,1,0]=4 8906 B14R1.6072 CC(=O)CCSc1cc(ccc1N)Cl 62a_100000053229_100000761889 [0,2,0,0,0,0|1,1,0]=4 8907 B14R1.6072 CC(=O)CCSc1cc(ccc1N)Cl 62a_100000761889_100000053229 [0,2,0,0,0,0|1,1,0]=4 8908 B14R1.6072 CC(=O)CCSc1cc(ccc1N)F 62a_100000053229_100000760547 [0,2,0,0,0,0|1,1,0]=4 8909 B14R1.6072 CC(=O)CCSc1cc(ccc1N)F 62a_100000760547_100000053229 [0,2,0,0,0,0|1,1,0]=4 8910 B14R1.6072 CC(=O)CCSc1cc(ccc1N)N 62a_100000053229_100011534242 [0,2,0,0,0,0|1,1,0]=4 8911 B14R1.6072 CC(=O)CCSc1cc(ccc1N)N 62a_100011534242_100000053229 [0,2,0,0,0,0|1,1,0]=4 8912 B14R1.6072 CC(=O)CCSc1cc(ccc1N)O 62a_100000053229_100012001276 [0,2,0,0,0,0|1,1,0]=4 8913 B14R1.6072 CC(=O)CCSc1cc(ccc1N)O 62a_100012001276_100000053229 [0,2,0,0,0,0|1,1,0]=4 8914 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Br 62a_100000053229_100012355227 [0,2,0,0,0,0|1,1,0]=4 8915 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Br 62a_100012355227_100000053229 [0,2,0,0,0,0|1,1,0]=4 8916 B14R1.6072 CC(=O)CCSc1cc(ccc1O)C 62a_100000053229_100000765521 [0,2,0,0,0,0|1,1,0]=4 8917 B14R1.6072 CC(=O)CCSc1cc(ccc1O)C 62a_100000765521_100000053229 [0,2,0,0,0,0|1,1,0]=4 8918 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Cl 62a_100000053229_100011356953 [0,2,0,0,0,0|1,1,0]=4 8919 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Cl 62a_100011356953_100000053229 [0,2,0,0,0,0|1,1,0]=4 8920 B14R1.6072 CC(=O)CCSc1cc(ccc1O)F 62a_100000053229_100000211999 [0,2,0,0,0,0|1,1,0]=4 8921 B14R1.6072 CC(=O)CCSc1cc(ccc1O)F 62a_100000211999_100000053229 [0,2,0,0,0,0|1,1,0]=4 8922 B14R1.6072 CC(=O)CCSc1cc(ccc1O)N 62a_100000053229_100011534360 [0,2,0,0,0,0|1,1,0]=4 8923 B14R1.6072 CC(=O)CCSc1cc(ccc1O)N 62a_100011534360_100000053229 [0,2,0,0,0,0|1,1,0]=4 8924 B14R1.6072 CC(=O)CCSc1cc(ccc1O)O 62a_100000053229_100009813629 [0,2,0,0,0,0|1,1,0]=4 8925 B14R1.6072 CC(=O)OCOc1cc(ccc1Br)Br 34a_100011220040_100009813279 [0,2,0,0,0,0|2,0,0]=4 8926 B14R1.6072 CC(=O)OCOc1cc(ccc1Br)C 34a_100012002257_100009813279 [0,2,0,0,0,0|2,0,0]=4 8927 B14R1.6072 CC(=O)OCOc1cc(ccc1Br)Cl 34a_100012339455_100009813279 [0,2,0,0,0,0|2,0,0]=4 8928 B14R1.6072 CC(=O)OCOc1cc(ccc1Br)F 34a_100000690578_100009813279 [0,2,0,0,0,0|2,0,0]=4 8929 B14R1.6072 CC(=O)OCOc1cc(ccc1Br)I 34a_100012356990_100009813279 [0,2,0,0,0,0|2,0,0]=4 8930 B14R1.6072 CC(=O)OCOc1cc(ccc1C)Br 34a_100000685420_100009813279 [0,2,0,0,0,0|2,0,0]=4 8931 B14R1.6072 CC(=O)OCOc1cc(ccc1C)C 34a_100000210931_100009813279 [0,2,0,0,0,0|2,0,0]=4 8932 B14R1.6072 CC(=O)OCOc1cc(ccc1C)Cl 34a_100000756515_100009813279 [0,2,0,0,0,0|2,0,0]=4 8933 B14R1.6072 CC(=O)OCOc1cc(ccc1C)F 34a_100000690566_100009813279 [0,2,0,0,0,0|2,0,0]=4 8934 B14R1.6072 CC(=O)OCOc1cc(ccc1C)N 34a_100000759471_100009813279 [0,2,0,0,0,0|2,0,0]=4 8935 B14R1.6072 CC(=O)OCOc1cc(ccc1Cl)Br 34a_100000738945_100009813279 [0,2,0,0,0,0|2,0,0]=4 8936 B14R1.6072 CC(=O)OCOc1cc(ccc1Cl)C 34a_100000211493_100009813279 [0,2,0,0,0,0|2,0,0]=4 8937 B14R1.6072 CC(=O)OCOc1cc(ccc1Cl)Cl 34a_100000211422_100009813279 [0,2,0,0,0,0|2,0,0]=4 8938 B14R1.6072 CC(=O)OCOc1cc(ccc1Cl)F 34a_100000692107_100009813279 [0,2,0,0,0,0|2,0,0]=4 8939 B14R1.6072 CC(=O)OCOc1cc(ccc1Cl)I 34a_100011356854_100009813279 [0,2,0,0,0,0|2,0,0]=4 8940 B14R1.6072 CC(=O)OCOc1cc(ccc1Cl)N 34a_100011934209_100009813279 [0,2,0,0,0,0|2,0,0]=4 8941 B14R1.6072 CC(=O)OCOc1cc(ccc1F)Br 34a_100000686035_100009813279 [0,2,0,0,0,0|2,0,0]=4 8942 B14R1.6072 CC(=O)OCOc1cc(ccc1F)C 34a_100000759540_100009813279 [0,2,0,0,0,0|2,0,0]=4 8943 B14R1.6072 CC(=O)OCOc1cc(ccc1F)Cl 34a_100000757397_100009813279 [0,2,0,0,0,0|2,0,0]=4 8944 B14R1.6072 CC(=O)OCOc1cc(ccc1F)F 34a_100000752141_100009813279 [0,2,0,0,0,0|2,0,0]=4 8945 B14R1.6072 CC(=O)OCOc1cc(ccc1F)I 34a_100009958187_100009813279 [0,2,0,0,0,0|2,0,0]=4 8946 B14R1.6072 CC(=O)OCOc1cc(ccc1F)N 34a_100012017398_100009813279 [0,2,0,0,0,0|2,0,0]=4 8947 B14R1.6072 CC(=O)OCOc1cc(ccc1I)Br 34a_100012344904_100009813279 [0,2,0,0,0,0|2,0,0]=4 8948 B14R1.6072 CC(=O)OCOc1cc(ccc1I)Cl 34a_100000050036_100009813279 [0,2,0,0,0,0|2,0,0]=4 8949 B14R1.6072 CC(=O)OCOc1cc(ccc1I)F 34a_100010084537_100009813279 [0,2,0,0,0,0|2,0,0]=4 8950 B14R1.6072 CC(=O)OCOc1cc(ccc1N)Br 34a_100000739049_100009813279 [0,2,0,0,0,0|2,0,0]=4 8951 B14R1.6072 CC(=O)OCOc1cc(ccc1N)C 34a_100000211527_100009813279 [0,2,0,0,0,0|2,0,0]=4 8952 B14R1.6072 CC(=O)OCOc1cc(ccc1N)Cl 34a_100000185728_100009813279 [0,2,0,0,0,0|2,0,0]=4 8953 B14R1.6072 CC(=O)OCOc1cc(ccc1N)F 34a_100000753323_100009813279 [0,2,0,0,0,0|2,0,0]=4 8954 B14R1.6072 CC(=O)OCOc1cc(ccc1N)I 34a_100000057187_100009813279 [0,2,0,0,0,0|2,0,0]=4 8955 B14R1.6072 CC(=O)OCOc1cc(ccc1N)N 34a_100025717382_100009813279 [0,2,0,0,0,0|2,0,0]=4 8956 B14R1.6072 CC(O)CCOc1cc(ccc1Br)Br 34a_100011220040_100012276601 [0,2,0,0,0,0|1,0,1]=4 8957 B14R1.6072 CC(O)CCOc1cc(ccc1Br)Br 7a_100011220040_100012276601 [0,2,0,0,0,0|1,0,1]=4 8958 B14R1.6072 CC(O)CCOc1cc(ccc1Br)Cl 34a_100012339455_100012276601 [0,2,0,0,0,0|1,0,1]=4 8959 B14R1.6072 CC(O)CCOc1cc(ccc1Br)Cl 7a_100012339455_100012276601 [0,2,0,0,0,0|1,0,1]=4 8960 B14R1.6072 CC(O)CCOc1cc(ccc1Br)F 34a_100000690578_100012276601 [0,2,0,0,0,0|1,0,1]=4 8961 B14R1.6072 CC(O)CCOc1cc(ccc1Br)F 7a_100000690578_100012276601 [0,2,0,0,0,0|1,0,1]=4 8962 B14R1.6072 CC(O)CCOc1cc(ccc1Br)I 34a_100012356990_100012276601 [0,2,0,0,0,0|1,0,1]=4 8963 B14R1.6072 CC(O)CCOc1cc(ccc1Br)I 7a_100012356990_100012276601 [0,2,0,0,0,0|1,0,1]=4 8964 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)Br 34a_100000738945_100012276601 [0,2,0,0,0,0|1,0,1]=4 8965 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)Br 7a_100000738945_100012276601 [0,2,0,0,0,0|1,0,1]=4 8966 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)Cl 34a_100000211422_100012276601 [0,2,0,0,0,0|1,0,1]=4 8967 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)Cl 7a_100000211422_100012276601 [0,2,0,0,0,0|1,0,1]=4 8968 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)F 34a_100000692107_100012276601 [0,2,0,0,0,0|1,0,1]=4 8969 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)F 7a_100000692107_100012276601 [0,2,0,0,0,0|1,0,1]=4 8970 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)I 34a_100011356854_100012276601 [0,2,0,0,0,0|1,0,1]=4 8971 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)I 7a_100011356854_100012276601 [0,2,0,0,0,0|1,0,1]=4 8972 B14R1.6072 CC(O)CCOc1cc(ccc1Cl)N 34a_100011934209_100012276601 [0,2,0,0,0,0|1,0,1]=4 8973 B14R1.6072 CC(O)CCOc1cc(ccc1F)Br 34a_100000686035_100012276601 [0,2,0,0,0,0|1,0,1]=4 8974 B14R1.6072 CC(O)CCOc1cc(ccc1F)Br 7a_100000686035_100012276601 [0,2,0,0,0,0|1,0,1]=4 8975 B14R1.6072 CC(O)CCOc1cc(ccc1F)Cl 34a_100000757397_100012276601 [0,2,0,0,0,0|1,0,1]=4 8976 B14R1.6072 CC(O)CCOc1cc(ccc1F)Cl 7a_100000757397_100012276601 [0,2,0,0,0,0|1,0,1]=4 8977 B14R1.6072 CC(O)CCOc1cc(ccc1F)F 34a_100000752141_100012276601 [0,2,0,0,0,0|1,0,1]=4 8978 B14R1.6072 CC(O)CCOc1cc(ccc1F)F 7a_100000752141_100012276601 [0,2,0,0,0,0|1,0,1]=4 8979 B14R1.6072 CC(O)CCOc1cc(ccc1F)I 34a_100009958187_100012276601 [0,2,0,0,0,0|1,0,1]=4 8980 B14R1.6072 CC(O)CCOc1cc(ccc1F)I 7a_100009958187_100012276601 [0,2,0,0,0,0|1,0,1]=4 8981 B14R1.6072 CC(O)CCOc1cc(ccc1F)N 34a_100012017398_100012276601 [0,2,0,0,0,0|1,0,1]=4 8982 B14R1.6072 CC(O)CCOc1cc(ccc1F)N 7a_100012017398_100012276601 [0,2,0,0,0,0|1,0,1]=4 8983 B14R1.6072 CC(O)CCOc1cc(ccc1I)Br 34a_100012344904_100012276601 [0,2,0,0,0,0|1,0,1]=4 8984 B14R1.6072 CC(O)CCOc1cc(ccc1I)Br 7a_100012344904_100012276601 [0,2,0,0,0,0|1,0,1]=4 8985 B14R1.6072 CC(O)CCOc1cc(ccc1I)Cl 34a_100000050036_100012276601 [0,2,0,0,0,0|1,0,1]=4 8986 B14R1.6072 CC(O)CCOc1cc(ccc1I)Cl 7a_100000050036_100012276601 [0,2,0,0,0,0|1,0,1]=4 8987 B14R1.6072 CC(O)CCOc1cc(ccc1I)F 34a_100010084537_100012276601 [0,2,0,0,0,0|1,0,1]=4 8988 B14R1.6072 CC(O)CCOc1cc(ccc1I)F 7a_100010084537_100012276601 [0,2,0,0,0,0|1,0,1]=4 8989 B14R1.6072 CC(O)CCOc1cc(ccc1N)Br 34a_100000739049_100012276601 [0,2,0,0,0,0|1,0,1]=4 8990 B14R1.6072 CC(O)CCOc1cc(ccc1N)Br 7a_100000739049_100012276601 [0,2,0,0,0,0|1,0,1]=4 8991 B14R1.6072 CC(O)CCOc1cc(ccc1N)Cl 34a_100000185728_100012276601 [0,2,0,0,0,0|1,0,1]=4 8992 B14R1.6072 CC(O)CCOc1cc(ccc1N)Cl 7a_100000185728_100012276601 [0,2,0,0,0,0|1,0,1]=4 8993 B14R1.6072 CC(O)CCOc1cc(ccc1N)F 34a_100000753323_100012276601 [0,2,0,0,0,0|1,0,1]=4 8994 B14R1.6072 CC(O)CCOc1cc(ccc1N)F 7a_100000753323_100012276601 [0,2,0,0,0,0|1,0,1]=4 8995 B14R1.6072 CC(O)CCOc1cc(ccc1N)I 34a_100000057187_100012276601 [0,2,0,0,0,0|1,0,1]=4 8996 B14R1.6072 CC(O)CCOc1cc(ccc1N)I 7a_100000057187_100012276601 [0,2,0,0,0,0|1,0,1]=4 8997 B14R1.6072 CC(O)CCOc1cc(ccc1N)N 34a_100025717382_100012276601 [0,2,0,0,0,0|1,0,1]=4 8998 B14R1.6072 Cc1cc(c(cn1)Br)OCCC(=O)N 34a_100011016184_100000731001 [0,2,0,0,0,0|2,0,0]=4 8999 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)C 269956a_100016091260_100000184699 [0,2,0,0,0,0|2,0,0]=4 9000 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)Cl 269956a_100016091260_100009871730 [0,2,0,0,0,0|2,0,0]=4 9001 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)F 269956a_100016091260_100011260760 [0,2,0,0,0,0|2,0,0]=4 9002 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)Br 34a_100000745044_100000731001 [0,2,0,0,0,0|2,0,0]=4 9003 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)C 2230a_100000185781_100000744528 [0,2,0,0,0,0|2,0,0]=4 9004 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)C 34a_100000185781_100000731001 [0,2,0,0,0,0|2,0,0]=4 9005 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)C 7a_100000185781_100000744528 [0,2,0,0,0,0|2,0,0]=4 9006 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)Cl 34a_100011215360_100000731001 [0,2,0,0,0,0|2,0,0]=4 9007 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)F 34a_100000211285_100000731001 [0,2,0,0,0,0|2,0,0]=4 9008 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)I 34a_100011216686_100000731001 [0,2,0,0,0,0|2,0,0]=4 9009 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)O 34a_100011215204_100000731001 [0,2,0,0,0,0|2,0,0]=4 9010 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)Br 34a_100012002257_100000731001 [0,2,0,0,0,0|1,0,0]=3 9011 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)Br 7a_100012002257_100000744528 [0,2,0,0,0,0|1,0,0]=3 9012 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)C 34a_100000210931_100000731001 [0,2,0,0,0,0|1,0,0]=3 9013 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)C 7a_100000210931_100000744528 [0,2,0,0,0,0|1,0,0]=3 9014 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)Cl 34a_100000211493_100000731001 [0,2,0,0,0,0|1,0,0]=3 9015 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)Cl 7a_100000211493_100000744528 [0,2,0,0,0,0|1,0,0]=3 9016 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)F 34a_100000759540_100000731001 [0,2,0,0,0,0|1,0,0]=3 9017 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)F 7a_100000759540_100000744528 [0,2,0,0,0,0|1,0,0]=3 9018 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)N 34a_100000211527_100000731001 [0,2,0,0,0,0|1,0,0]=3 9019 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)N)N 7a_100000211527_100000744528 [0,2,0,0,0,0|1,0,0]=3 9020 B14R1.6072 Cc1ccc(c(c1)OCCC(=O)[13CH3])C 1458a_100000183344_200025704644 [0,2,0,0,0,0|1,0,0]=3 9021 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)Br 34a_100012002257_100012276601 [0,2,0,0,0,0|1,0,1]=4 9022 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)Br 7a_100012002257_100012276601 [0,2,0,0,0,0|1,0,1]=4 9023 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)C 34a_100000210931_100012276601 [0,2,0,0,0,0|1,0,1]=4 9024 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)C 7a_100000210931_100012276601 [0,2,0,0,0,0|1,0,1]=4 9025 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)Cl 34a_100000211493_100012276601 [0,2,0,0,0,0|1,0,1]=4 9026 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)Cl 7a_100000211493_100012276601 [0,2,0,0,0,0|1,0,1]=4 9027 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)F 34a_100000759540_100012276601 [0,2,0,0,0,0|1,0,1]=4 9028 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)F 7a_100000759540_100012276601 [0,2,0,0,0,0|1,0,1]=4 9029 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)N 34a_100000211527_100012276601 [0,2,0,0,0,0|1,0,1]=4 9030 B14R1.6072 Cc1ccc(c(c1)OCCC(C)O)N 7a_100000211527_100012276601 [0,2,0,0,0,0|1,0,1]=4 9031 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)Br 62a_100000744528_100012353751 [0,2,0,0,0,0|1,1,0]=4 9032 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)Br 62a_100012353751_100000744528 [0,2,0,0,0,0|1,1,0]=4 9033 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)C 62a_100000210833_100000744528 [0,2,0,0,0,0|1,1,0]=4 9034 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)C 62a_100000744528_100000210833 [0,2,0,0,0,0|1,1,0]=4 9035 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)Cl 62a_100000744528_100012356289 [0,2,0,0,0,0|1,1,0]=4 9036 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)Cl 62a_100012356289_100000744528 [0,2,0,0,0,0|1,1,0]=4 9037 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)F 62a_100000736223_100000744528 [0,2,0,0,0,0|1,1,0]=4 9038 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)F 62a_100000744528_100000736223 [0,2,0,0,0,0|1,1,0]=4 9039 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)N 62a_100000744528_100011356834 [0,2,0,0,0,0|1,1,0]=4 9040 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)N 62a_100011356834_100000744528 [0,2,0,0,0,0|1,1,0]=4 9041 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)O 62a_100000744528_100000765521 [0,2,0,0,0,0|1,1,0]=4 9042 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)O 62a_100000765521_100000744528 [0,2,0,0,0,0|1,1,0]=4 9043 B14R1.6072 Cc1ccc(c(n1)OCCC(=O)N)Br 34a_100009817604_100000731001 [0,2,0,0,0,0|2,0,0]=4 9044 B14R1.6072 Cc1ccc(c(n1)OCCC(=O)N)N 34a_100000687486_100000731001 [0,2,0,0,0,0|2,0,0]=4 9045 B14R1.6072 Cc1ccc(cc1CNCC(=O)O)Cl 269956a_100016091260_100012186985 [0,2,0,0,0,0|2,0,0]=4 9046 B14R1.6072 Cc1ccc(cc1CNCC(=O)O)F 269956a_100016091260_100000709795 [0,2,0,0,0,0|2,0,0]=4 9047 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)Br 34a_100000741167_100000731001 [0,2,0,0,0,0|2,0,0]=4 9048 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)Br 7a_100000741167_100000744528 [0,2,0,0,0,0|2,0,0]=4 9049 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)Cl 34a_100000211374_100000731001 [0,2,0,0,0,0|2,0,0]=4 9050 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)Cl 7a_100000211374_100000744528 [0,2,0,0,0,0|2,0,0]=4 9051 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)F 34a_100000211107_100000731001 [0,2,0,0,0,0|2,0,0]=4 9052 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)F 7a_100000211107_100000744528 [0,2,0,0,0,0|2,0,0]=4 9053 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)I 7a_100000761890_100000744528 [0,2,0,0,0,0|2,0,0]=4 9054 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)O 34a_100011216113_100000731001 [0,2,0,0,0,0|2,0,0]=4 9055 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)Br 34a_100000685420_100000731001 [0,2,0,0,0,0|1,0,0]=3 9056 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)Br 7a_100000685420_100000744528 [0,2,0,0,0,0|1,0,0]=3 9057 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)Cl 34a_100000756515_100000731001 [0,2,0,0,0,0|1,0,0]=3 9058 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)Cl 7a_100000756515_100000744528 [0,2,0,0,0,0|1,0,0]=3 9059 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)F 34a_100000690566_100000731001 [0,2,0,0,0,0|1,0,0]=3 9060 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)F 7a_100000690566_100000744528 [0,2,0,0,0,0|1,0,0]=3 9061 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)I 7a_100000766334_100000744528 [0,2,0,0,0,0|1,0,0]=3 9062 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)N 34a_100000759471_100000731001 [0,2,0,0,0,0|1,0,0]=3 9063 B14R1.6072 Cc1ccc(cc1OCCC(=O)N)N 7a_100000759471_100000744528 [0,2,0,0,0,0|1,0,0]=3 9064 B14R1.6072 Cc1ccc(cc1OCCC(C)O)Br 34a_100000685420_100012276601 [0,2,0,0,0,0|1,0,1]=4 9065 B14R1.6072 Cc1ccc(cc1OCCC(C)O)Br 7a_100000685420_100012276601 [0,2,0,0,0,0|1,0,1]=4 9066 B14R1.6072 Cc1ccc(cc1OCCC(C)O)Cl 34a_100000756515_100012276601 [0,2,0,0,0,0|1,0,1]=4 9067 B14R1.6072 Cc1ccc(cc1OCCC(C)O)Cl 7a_100000756515_100012276601 [0,2,0,0,0,0|1,0,1]=4 9068 B14R1.6072 Cc1ccc(cc1OCCC(C)O)F 34a_100000690566_100012276601 [0,2,0,0,0,0|1,0,1]=4 9069 B14R1.6072 Cc1ccc(cc1OCCC(C)O)F 7a_100000690566_100012276601 [0,2,0,0,0,0|1,0,1]=4 9070 B14R1.6072 Cc1ccc(cc1OCCC(C)O)I 7a_100000766334_100012276601 [0,2,0,0,0,0|1,0,1]=4 9071 B14R1.6072 Cc1ccc(cc1OCCC(C)O)N 34a_100000759471_100012276601 [0,2,0,0,0,0|1,0,1]=4 9072 B14R1.6072 Cc1ccc(cc1OCCC(C)O)N 7a_100000759471_100012276601 [0,2,0,0,0,0|1,0,1]=4 9073 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)Br 62a_100000744528_100011344865 [0,2,0,0,0,0|1,1,0]=4 9074 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)Br 62a_100011344865_100000744528 [0,2,0,0,0,0|1,1,0]=4 9075 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)Cl 62a_100000744528_100011263213 [0,2,0,0,0,0|1,1,0]=4 9076 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)Cl 62a_100011263213_100000744528 [0,2,0,0,0,0|1,1,0]=4 9077 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)F 62a_100000744528_100011218078 [0,2,0,0,0,0|1,1,0]=4 9078 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)F 62a_100011218078_100000744528 [0,2,0,0,0,0|1,1,0]=4 9079 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)N 62a_100000736455_100000744528 [0,2,0,0,0,0|1,1,0]=4 9080 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)N 62a_100000744528_100000736455 [0,2,0,0,0,0|1,1,0]=4 9081 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)O 62a_100000744528_100011380479 [0,2,0,0,0,0|1,1,0]=4 9082 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)O 62a_100011380479_100000744528 [0,2,0,0,0,0|1,1,0]=4 9083 B14R1.6072 Cc1cnc(c(c1)OCCC(=O)N)Cl 34a_100012000487_100000731001 [0,2,0,0,0,0|2,0,0]=4 9084 B14R1.6072 Cc1cnc(c(c1)OCCC(=O)N)Cl 7a_100012000487_100000744528 [0,2,0,0,0,0|2,0,0]=4 9085 B14R1.6072 Cc1cnc(c(c1)OCCC(=O)N)F 34a_100009849810_100000731001 [0,2,0,0,0,0|2,0,0]=4 9086 B14R1.6072 Cc1cnc(c(c1)OCCC(=O)N)F 7a_100009849810_100000744528 [0,2,0,0,0,0|2,0,0]=4 9087 B14R1.6072 Cc1cnc(cc1OCCC(=O)N)Br 34a_100000704368_100000731001 [0,2,0,0,0,0|2,0,0]=4 9088 B14R1.6072 Cc1cnc(cc1OCCC(=O)N)Br 7a_100000704368_100000744528 [0,2,0,0,0,0|2,0,0]=4 9089 B14R1.6072 Cc1ncc(cc1OCCC(=O)N)Br 34a_100009864810_100000731001 [0,2,0,0,0,0|2,0,0]=4 9090 B14R1.6072 Cc1ncc(cc1OCCC(=O)N)Br 7a_100009864810_100000744528 [0,2,0,0,0,0|2,0,0]=4 9091 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)Br 34a_100000737762_100000731001 [0,2,0,0,0,0|2,0,0]=4 9092 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)Cl 34a_100000687073_100000731001 [0,2,0,0,0,0|2,0,0]=4 9093 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)F 34a_100000687223_100000731001 [0,2,0,0,0,0|2,0,0]=4 9094 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)O 34a_100011999798_100000731001 [0,2,0,0,0,0|2,0,0]=4 9095 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)Br 34a_100000750497_100000731001 [0,2,0,0,0,0|2,0,0]=4 9096 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000731001 [0,2,0,0,0,0|2,0,0]=4 9097 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)F 34a_100000751338_100000731001 [0,2,0,0,0,0|2,0,0]=4 9098 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)I 34a_200000761891_100000731001 [0,2,0,0,0,0|2,0,0]=4 9099 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)O 34a_100011934297_100000731001 [0,2,0,0,0,0|2,0,0]=4 9100 B14R1.6072 NC(=O)CCNc1cc(ccc1F)Br 34a_100000740924_100000731001 [0,2,0,0,0,0|2,0,0]=4 9101 B14R1.6072 NC(=O)CCNc1cc(ccc1F)Cl 34a_100000212115_100000731001 [0,2,0,0,0,0|2,0,0]=4 9102 B14R1.6072 NC(=O)CCNc1cc(ccc1F)F 34a_100000210742_100000731001 [0,2,0,0,0,0|2,0,0]=4 9103 B14R1.6072 NC(=O)CCNc1cc(ccc1F)I 34a_100011464823_100000731001 [0,2,0,0,0,0|2,0,0]=4 9104 B14R1.6072 NC(=O)CCNc1cc(ccc1F)O 34a_100012017239_100000731001 [0,2,0,0,0,0|2,0,0]=4 9105 B14R1.6072 NC(=O)CCNc1cc(ccc1I)Br 34a_100000743836_100000731001 [0,2,0,0,0,0|2,0,0]=4 9106 B14R1.6072 NC(=O)CCNc1cc(ccc1I)Cl 34a_100000761886_100000731001 [0,2,0,0,0,0|2,0,0]=4 9107 B14R1.6072 NC(=O)CCNc1cc(ccc1I)F 34a_100011218093_100000731001 [0,2,0,0,0,0|2,0,0]=4 9108 B14R1.6072 NC(=O)CCNc1cc(ccc1O)Br 34a_100000752626_100000731001 [0,2,0,0,0,0|2,0,0]=4 9109 B14R1.6072 NC(=O)CCNc1cc(ccc1O)Cl 34a_100000210500_100000731001 [0,2,0,0,0,0|2,0,0]=4 9110 B14R1.6072 NC(=O)CCNc1cc(ccc1O)F 34a_100000759472_100000731001 [0,2,0,0,0,0|2,0,0]=4 9111 B14R1.6072 NC(=O)CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000731001 [0,2,0,0,0,0|2,0,0]=4 9112 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)Br 34a_100011220040_100000731001 [0,2,0,0,0,0|1,0,0]=3 9113 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)Br 7a_100011220040_100000744528 [0,2,0,0,0,0|1,0,0]=3 9114 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)Cl 34a_100012339455_100000731001 [0,2,0,0,0,0|1,0,0]=3 9115 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)Cl 7a_100012339455_100000744528 [0,2,0,0,0,0|1,0,0]=3 9116 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)F 34a_100000690578_100000731001 [0,2,0,0,0,0|1,0,0]=3 9117 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)F 7a_100000690578_100000744528 [0,2,0,0,0,0|1,0,0]=3 9118 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)I 34a_100012356990_100000731001 [0,2,0,0,0,0|1,0,0]=3 9119 B14R1.6072 NC(=O)CCOc1cc(ccc1Br)I 7a_100012356990_100000744528 [0,2,0,0,0,0|1,0,0]=3 9120 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)Br 34a_100000738945_100000731001 [0,2,0,0,0,0|1,0,0]=3 9121 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)Br 7a_100000738945_100000744528 [0,2,0,0,0,0|1,0,0]=3 9122 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000731001 [0,2,0,0,0,0|1,0,0]=3 9123 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000744528 [0,2,0,0,0,0|1,0,0]=3 9124 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)F 34a_100000692107_100000731001 [0,2,0,0,0,0|1,0,0]=3 9125 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)F 7a_100000692107_100000744528 [0,2,0,0,0,0|1,0,0]=3 9126 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)I 34a_100011356854_100000731001 [0,2,0,0,0,0|1,0,0]=3 9127 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)I 7a_100011356854_100000744528 [0,2,0,0,0,0|1,0,0]=3 9128 B14R1.6072 NC(=O)CCOc1cc(ccc1Cl)N 34a_100011934209_100000731001 [0,2,0,0,0,0|1,0,0]=3 9129 B14R1.6072 NC(=O)CCOc1cc(ccc1F)Br 34a_100000686035_100000731001 [0,2,0,0,0,0|1,0,0]=3 9130 B14R1.6072 NC(=O)CCOc1cc(ccc1F)Br 7a_100000686035_100000744528 [0,2,0,0,0,0|1,0,0]=3 9131 B14R1.6072 NC(=O)CCOc1cc(ccc1F)Cl 34a_100000757397_100000731001 [0,2,0,0,0,0|1,0,0]=3 9132 B14R1.6072 NC(=O)CCOc1cc(ccc1F)Cl 7a_100000757397_100000744528 [0,2,0,0,0,0|1,0,0]=3 9133 B14R1.6072 NC(=O)CCOc1cc(ccc1F)F 34a_100000752141_100000731001 [0,2,0,0,0,0|1,0,0]=3 9134 B14R1.6072 NC(=O)CCOc1cc(ccc1F)F 7a_100000752141_100000744528 [0,2,0,0,0,0|1,0,0]=3 9135 B14R1.6072 NC(=O)CCOc1cc(ccc1F)I 34a_100009958187_100000731001 [0,2,0,0,0,0|1,0,0]=3 9136 B14R1.6072 NC(=O)CCOc1cc(ccc1F)I 7a_100009958187_100000744528 [0,2,0,0,0,0|1,0,0]=3 9137 B14R1.6072 NC(=O)CCOc1cc(ccc1F)N 34a_100012017398_100000731001 [0,2,0,0,0,0|1,0,0]=3 9138 B14R1.6072 NC(=O)CCOc1cc(ccc1F)N 7a_100012017398_100000744528 [0,2,0,0,0,0|1,0,0]=3 9139 B14R1.6072 NC(=O)CCOc1cc(ccc1I)Br 34a_100012344904_100000731001 [0,2,0,0,0,0|1,0,0]=3 9140 B14R1.6072 NC(=O)CCOc1cc(ccc1I)Br 7a_100012344904_100000744528 [0,2,0,0,0,0|1,0,0]=3 9141 B14R1.6072 NC(=O)CCOc1cc(ccc1I)Cl 34a_100000050036_100000731001 [0,2,0,0,0,0|1,0,0]=3 9142 B14R1.6072 NC(=O)CCOc1cc(ccc1I)Cl 7a_100000050036_100000744528 [0,2,0,0,0,0|1,0,0]=3 9143 B14R1.6072 NC(=O)CCOc1cc(ccc1I)F 34a_100010084537_100000731001 [0,2,0,0,0,0|1,0,0]=3 9144 B14R1.6072 NC(=O)CCOc1cc(ccc1I)F 7a_100010084537_100000744528 [0,2,0,0,0,0|1,0,0]=3 9145 B14R1.6072 NC(=O)CCOc1cc(ccc1N)Br 34a_100000739049_100000731001 [0,2,0,0,0,0|1,0,0]=3 9146 B14R1.6072 NC(=O)CCOc1cc(ccc1N)Br 7a_100000739049_100000744528 [0,2,0,0,0,0|1,0,0]=3 9147 B14R1.6072 NC(=O)CCOc1cc(ccc1N)Cl 34a_100000185728_100000731001 [0,2,0,0,0,0|1,0,0]=3 9148 B14R1.6072 NC(=O)CCOc1cc(ccc1N)Cl 7a_100000185728_100000744528 [0,2,0,0,0,0|1,0,0]=3 9149 B14R1.6072 NC(=O)CCOc1cc(ccc1N)F 34a_100000753323_100000731001 [0,2,0,0,0,0|1,0,0]=3 9150 B14R1.6072 NC(=O)CCOc1cc(ccc1N)F 7a_100000753323_100000744528 [0,2,0,0,0,0|1,0,0]=3 9151 B14R1.6072 NC(=O)CCOc1cc(ccc1N)I 34a_100000057187_100000731001 [0,2,0,0,0,0|1,0,0]=3 9152 B14R1.6072 NC(=O)CCOc1cc(ccc1N)I 7a_100000057187_100000744528 [0,2,0,0,0,0|1,0,0]=3 9153 B14R1.6072 NC(=O)CCOc1cc(ccc1N)N 34a_100025717382_100000731001 [0,2,0,0,0,0|1,0,0]=3 9154 B14R1.6072 NC(=O)CCOc1cc(cnc1Br)Cl 34a_100000697010_100000731001 [0,2,0,0,0,0|2,0,0]=4 9155 B14R1.6072 NC(=O)CCOc1cc(cnc1Br)Cl 7a_100000697010_100000744528 [0,2,0,0,0,0|2,0,0]=4 9156 B14R1.6072 NC(=O)CCOc1cc(cnc1Br)F 34a_100009820119_100000731001 [0,2,0,0,0,0|2,0,0]=4 9157 B14R1.6072 NC(=O)CCOc1cc(cnc1Br)F 7a_100009820119_100000744528 [0,2,0,0,0,0|2,0,0]=4 9158 B14R1.6072 NC(=O)CCOc1cc(cnc1Cl)Br 34a_100012354860_100000731001 [0,2,0,0,0,0|2,0,0]=4 9159 B14R1.6072 NC(=O)CCOc1cc(cnc1Cl)Br 7a_100012354860_100000744528 [0,2,0,0,0,0|2,0,0]=4 9160 B14R1.6072 NC(=O)CCOc1cc(cnc1Cl)F 34a_100000079967_100000731001 [0,2,0,0,0,0|2,0,0]=4 9161 B14R1.6072 NC(=O)CCOc1cc(cnc1Cl)F 7a_100000079967_100000744528 [0,2,0,0,0,0|2,0,0]=4 9162 B14R1.6072 NC(=O)CCOc1cc(cnc1F)Br 34a_100009819871_100000731001 [0,2,0,0,0,0|2,0,0]=4 9163 B14R1.6072 NC(=O)CCOc1cc(cnc1F)Br 7a_100009819871_100000744528 [0,2,0,0,0,0|2,0,0]=4 9164 B14R1.6072 NC(=O)CCOc1cc(cnc1F)Cl 34a_100000094372_100000731001 [0,2,0,0,0,0|2,0,0]=4 9165 B14R1.6072 NC(=O)CCOc1cc(cnc1F)Cl 7a_100000094372_100000744528 [0,2,0,0,0,0|2,0,0]=4 9166 B14R1.6072 NC(=O)CCOc1cc(cnc1I)Br 34a_100010210634_100000731001 [0,2,0,0,0,0|2,0,0]=4 9167 B14R1.6072 NC(=O)CCOc1cc(cnc1I)Br 7a_100010210634_100000744528 [0,2,0,0,0,0|2,0,0]=4 9168 B14R1.6072 NC(=O)CCOc1cc(cnc1I)Cl 34a_100010233512_100000731001 [0,2,0,0,0,0|2,0,0]=4 9169 B14R1.6072 NC(=O)CCOc1cc(cnc1I)Cl 7a_100010233512_100000744528 [0,2,0,0,0,0|2,0,0]=4 9170 B14R1.6072 NC(=O)CCOc1cc(cnc1I)F 34a_100015624800_100000731001 [0,2,0,0,0,0|2,0,0]=4 9171 B14R1.6072 NC(=O)CCOc1cc(cnc1I)F 7a_100015624800_100000744528 [0,2,0,0,0,0|2,0,0]=4 9172 B14R1.6072 NC(=O)CCOc1cc(cnc1N)Br 34a_100009819042_100000731001 [0,2,0,0,0,0|2,0,0]=4 9173 B14R1.6072 NC(=O)CCOc1cc(cnc1N)Br 7a_100009819042_100000744528 [0,2,0,0,0,0|2,0,0]=4 9174 B14R1.6072 NC(=O)CCOc1cc(cnc1N)Cl 34a_100000123674_100000731001 [0,2,0,0,0,0|2,0,0]=4 9175 B14R1.6072 NC(=O)CCOc1cc(cnc1N)Cl 7a_100000123674_100000744528 [0,2,0,0,0,0|2,0,0]=4 9176 B14R1.6072 NC(=O)CCOc1cc(cnc1N)F 34a_100000094369_100000731001 [0,2,0,0,0,0|2,0,0]=4 9177 B14R1.6072 NC(=O)CCOc1cc(cnc1N)F 7a_100000094369_100000744528 [0,2,0,0,0,0|2,0,0]=4 9178 B14R1.6072 NC(=O)CCOc1cc(ncc1Br)Br 34a_100010235016_100000731001 [0,2,0,0,0,0|2,0,0]=4 9179 B14R1.6072 NC(=O)CCOc1cc(ncc1Br)Cl 34a_100010173860_100000731001 [0,2,0,0,0,0|2,0,0]=4 9180 B14R1.6072 NC(=O)CCOc1cc(ncc1Cl)Br 34a_100010173861_100000731001 [0,2,0,0,0,0|2,0,0]=4 9181 B14R1.6072 NC(=O)CCOc1cc(ncc1F)Br 34a_100009854642_100000731001 [0,2,0,0,0,0|2,0,0]=4 9182 B14R1.6072 NC(=O)CCOc1cc(ncc1F)Cl 34a_100009851168_100000731001 [0,2,0,0,0,0|2,0,0]=4 9183 B14R1.6072 NC(=O)CCOc1nc(ccc1F)Cl 34a_100010729010_100000731001 [0,2,0,0,0,0|2,0,0]=4 9184 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)Br 62a_100000744528_100011483371 [0,2,0,0,0,0|1,1,0]=4 9185 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)Br 62a_100011483371_100000744528 [0,2,0,0,0,0|1,1,0]=4 9186 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)Cl 62a_100000744528_100012339723 [0,2,0,0,0,0|1,1,0]=4 9187 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)Cl 62a_100012339723_100000744528 [0,2,0,0,0,0|1,1,0]=4 9188 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)F 62a_100000744528_100011217576 [0,2,0,0,0,0|1,1,0]=4 9189 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)F 62a_100011217576_100000744528 [0,2,0,0,0,0|1,1,0]=4 9190 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)N 62a_100000744528_100000750459 [0,2,0,0,0,0|1,1,0]=4 9191 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)N 62a_100000750459_100000744528 [0,2,0,0,0,0|1,1,0]=4 9192 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)O 62a_100000744528_100012339312 [0,2,0,0,0,0|1,1,0]=4 9193 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)O 62a_100012339312_100000744528 [0,2,0,0,0,0|1,1,0]=4 9194 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)Br 62a_100000744528_100011772130 [0,2,0,0,0,0|1,1,0]=4 9195 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)Br 62a_100011772130_100000744528 [0,2,0,0,0,0|1,1,0]=4 9196 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000744528 [0,2,0,0,0,0|1,1,0]=4 9197 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)Cl 62a_100000744528_100000707729 [0,2,0,0,0,0|1,1,0]=4 9198 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)F 62a_100000744528_100011217299 [0,2,0,0,0,0|1,1,0]=4 9199 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)F 62a_100011217299_100000744528 [0,2,0,0,0,0|1,1,0]=4 9200 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)N 62a_100000744528_100012360549 [0,2,0,0,0,0|1,1,0]=4 9201 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)N 62a_100012360549_100000744528 [0,2,0,0,0,0|1,1,0]=4 9202 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)O 62a_100000049588_100000744528 [0,2,0,0,0,0|1,1,0]=4 9203 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)O 62a_100000744528_100000049588 [0,2,0,0,0,0|1,1,0]=4 9204 B14R1.6072 NC(=O)CCSc1cc(ccc1F)Br 62a_100000744528_100011217312 [0,2,0,0,0,0|1,1,0]=4 9205 B14R1.6072 NC(=O)CCSc1cc(ccc1F)Br 62a_100011217312_100000744528 [0,2,0,0,0,0|1,1,0]=4 9206 B14R1.6072 NC(=O)CCSc1cc(ccc1F)Cl 62a_100000744528_100011218116 [0,2,0,0,0,0|1,1,0]=4 9207 B14R1.6072 NC(=O)CCSc1cc(ccc1F)Cl 62a_100011218116_100000744528 [0,2,0,0,0,0|1,1,0]=4 9208 B14R1.6072 NC(=O)CCSc1cc(ccc1F)F 62a_100000744528_100011219198 [0,2,0,0,0,0|1,1,0]=4 9209 B14R1.6072 NC(=O)CCSc1cc(ccc1F)F 62a_100011219198_100000744528 [0,2,0,0,0,0|1,1,0]=4 9210 B14R1.6072 NC(=O)CCSc1cc(ccc1F)N 62a_100000744528_100000760356 [0,2,0,0,0,0|1,1,0]=4 9211 B14R1.6072 NC(=O)CCSc1cc(ccc1F)N 62a_100000760356_100000744528 [0,2,0,0,0,0|1,1,0]=4 9212 B14R1.6072 NC(=O)CCSc1cc(ccc1F)O 62a_100000693481_100000744528 [0,2,0,0,0,0|1,1,0]=4 9213 B14R1.6072 NC(=O)CCSc1cc(ccc1F)O 62a_100000744528_100000693481 [0,2,0,0,0,0|1,1,0]=4 9214 B14R1.6072 NC(=O)CCSc1cc(ccc1N)Br 62a_100000187925_100000744528 [0,2,0,0,0,0|1,1,0]=4 9215 B14R1.6072 NC(=O)CCSc1cc(ccc1N)Br 62a_100000744528_100000187925 [0,2,0,0,0,0|1,1,0]=4 9216 B14R1.6072 NC(=O)CCSc1cc(ccc1N)Cl 62a_100000744528_100000761889 [0,2,0,0,0,0|1,1,0]=4 9217 B14R1.6072 NC(=O)CCSc1cc(ccc1N)Cl 62a_100000761889_100000744528 [0,2,0,0,0,0|1,1,0]=4 9218 B14R1.6072 NC(=O)CCSc1cc(ccc1N)F 62a_100000744528_100000760547 [0,2,0,0,0,0|1,1,0]=4 9219 B14R1.6072 NC(=O)CCSc1cc(ccc1N)F 62a_100000760547_100000744528 [0,2,0,0,0,0|1,1,0]=4 9220 B14R1.6072 NC(=O)CCSc1cc(ccc1N)N 62a_100000744528_100011534242 [0,2,0,0,0,0|1,1,0]=4 9221 B14R1.6072 NC(=O)CCSc1cc(ccc1N)N 62a_100011534242_100000744528 [0,2,0,0,0,0|1,1,0]=4 9222 B14R1.6072 NC(=O)CCSc1cc(ccc1N)O 62a_100000744528_100012001276 [0,2,0,0,0,0|1,1,0]=4 9223 B14R1.6072 NC(=O)CCSc1cc(ccc1N)O 62a_100012001276_100000744528 [0,2,0,0,0,0|1,1,0]=4 9224 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Br 62a_100000744528_100012355227 [0,2,0,0,0,0|1,1,0]=4 9225 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Br 62a_100012355227_100000744528 [0,2,0,0,0,0|1,1,0]=4 9226 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Cl 62a_100000744528_100011356953 [0,2,0,0,0,0|1,1,0]=4 9227 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Cl 62a_100011356953_100000744528 [0,2,0,0,0,0|1,1,0]=4 9228 B14R1.6072 NC(=O)CCSc1cc(ccc1O)F 62a_100000211999_100000744528 [0,2,0,0,0,0|1,1,0]=4 9229 B14R1.6072 NC(=O)CCSc1cc(ccc1O)F 62a_100000744528_100000211999 [0,2,0,0,0,0|1,1,0]=4 9230 B14R1.6072 NC(=O)CCSc1cc(ccc1O)N 62a_100000744528_100011534360 [0,2,0,0,0,0|1,1,0]=4 9231 B14R1.6072 NC(=O)CCSc1cc(ccc1O)N 62a_100011534360_100000744528 [0,2,0,0,0,0|1,1,0]=4 9232 B14R1.6072 NC(=O)CCSc1cc(ccc1O)O 62a_100000744528_100009813629 [0,2,0,0,0,0|1,1,0]=4 9233 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)Br 269956a_100016091260_100011982794 [0,2,0,0,0,0|2,0,0]=4 9234 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)Cl 269956a_100016091260_100000733903 [0,2,0,0,0,0|2,0,0]=4 9235 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)F 269956a_100016091260_100000736370 [0,2,0,0,0,0|2,0,0]=4 9236 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)I 269956a_100016091260_100012355412 [0,2,0,0,0,0|2,0,0]=4 9237 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)Br 269956a_100016091260_100000763347 [0,2,0,0,0,0|2,0,0]=4 9238 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)Cl 269956a_100016091260_100000754809 [0,2,0,0,0,0|2,0,0]=4 9239 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)F 269956a_100016091260_100000709952 [0,2,0,0,0,0|2,0,0]=4 9240 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)I 269956a_100016091260_100010188191 [0,2,0,0,0,0|2,0,0]=4 9241 B14R1.6072 O=C(O)CNCc1cc(ccc1F)Br 269956a_100016091260_100000736399 [0,2,0,0,0,0|2,0,0]=4 9242 B14R1.6072 O=C(O)CNCc1cc(ccc1F)Cl 269956a_100016091260_100000716957 [0,2,0,0,0,0|2,0,0]=4 9243 B14R1.6072 O=C(O)CNCc1cc(ccc1F)F 269956a_100016091260_100000685659 [0,2,0,0,0,0|2,0,0]=4 9244 B14R1.6072 O=C(O)CNCc1cc(ccc1F)I 269956a_100016091260_200010149601 [0,2,0,0,0,0|2,0,0]=4 9245 B14R1.6072 O=C(O)CNCc1cc(ccc1I)Br 269956a_100016091260_100012362523 [0,2,0,0,0,0|2,0,0]=4 9246 B14R1.6072 O=C(O)CNCc1cc(ccc1I)Cl 269956a_100016091260_100012348826 [0,2,0,0,0,0|2,0,0]=4 9247 B14R1.6072 O=C(O)CNCc1cc(ccc1I)F 269956a_100016091260_100010149606 [0,2,0,0,0,0|2,0,0]=4 9248 B14R1.6072 O=C(O)CNCc1cc(ccc1O)F 269956a_100016091260_100010161318 [0,2,0,0,0,0|2,0,0]=4 9249 B14R1.96 C#Cc1ccccc1NCCC(=O)N 34a_100011470550_100000731001 [0,2,0,0,0,0|2,0,0]=4 9250 B14R1.96 C#Cc1ccccc1OCCC(=C)C 34a_200011470546_100000730704 [0,2,0,0,0,0|2,0,0]=4 9251 B14R1.96 C#Cc1ccccc1OCCC(=C)C 7a_200011470546_100000730704 [0,2,0,0,0,0|2,0,0]=4 9252 B14R1.96 C#Cc1ccccc1OCCC(=O)C 7a_200011470546_100000053229 [0,2,0,0,0,0|1,0,0]=3 9253 B14R1.96 C#Cc1ccccc1OCCC(=O)N 34a_200011470546_100000731001 [0,2,0,0,0,0|1,0,0]=3 9254 B14R1.96 C#Cc1ccccc1OCCC(=O)N 7a_200011470546_100000744528 [0,2,0,0,0,0|1,0,0]=3 9255 B14R1.96 C#Cc1ccccc1OCCC(C)O 34a_200011470546_100012276601 [0,2,0,0,0,0|1,0,1]=4 9256 B14R1.96 C#Cc1ccccc1OCCC(C)O 7a_200011470546_100012276601 [0,2,0,0,0,0|1,0,1]=4 9257 B14R1.96 C#Cc1ccccc1OCOC(=O)C 34a_200011470546_100009813279 [0,2,0,0,0,0|2,0,0]=4 9258 B14R1.96 C=C(C)CCOc1ccccc1C#N 34a_100000211048_100000730704 [0,2,0,0,0,0|2,0,0]=4 9259 B14R1.96 C=C(C)CCOc1ccccc1C#N 7a_100000211048_100000730704 [0,2,0,0,0,0|2,0,0]=4 9260 B14R1.96 C=C(C)CCOc1ccccc1CC 34a_100000210936_100000730704 [0,2,0,0,0,0|2,0,0]=4 9261 B14R1.96 C=C(C)CCOc1ccccc1CC 7a_100000210936_100000730704 [0,2,0,0,0,0|2,0,0]=4 9262 B14R1.96 C=C(C)CCOc1ccccc1CN 34a_100000185550_100000730704 [0,2,0,0,0,0|2,0,0]=4 9263 B14R1.96 C=C(C)CCOc1ccccc1CO 34a_100011216872_100000730704 [0,2,0,0,0,0|2,0,0]=4 9264 B14R1.96 C=C(C)CCOc1ccccc1NC 34a_100000033821_100000730704 [0,2,0,0,0,0|2,0,0]=4 9265 B14R1.96 C=C(C)CCOc1ccccc1OC 34a_100000210385_100000730704 [0,2,0,0,0,0|2,0,0]=4 9266 B14R1.96 C=C(C)CCOc1ccccc1SC 34a_100011216402_100000730704 [0,2,0,0,0,0|2,0,0]=4 9267 B14R1.96 C=Cc1ccccc1NCCC(=O)N 34a_100012022501_100000731001 [0,2,0,0,0,0|2,0,0]=4 9268 B14R1.96 C=Cc1ccccc1SCCC(=O)C 62a_100000053229_100011218376 [0,2,0,0,0,0|1,1,0]=4 9269 B14R1.96 C=Cc1ccccc1SCCC(=O)C 62a_100011218376_100000053229 [0,2,0,0,0,0|1,1,0]=4 9270 B14R1.96 C=Cc1ccccc1SCCC(=O)N 62a_100000744528_100011218376 [0,2,0,0,0,0|1,1,0]=4 9271 B14R1.96 C=Cc1ccccc1SCCC(=O)N 62a_100011218376_100000744528 [0,2,0,0,0,0|1,1,0]=4 9272 B14R1.96 CC(=O)CCOc1ccccc1C#N 1458a_100000070787_100000743737 [0,2,0,0,0,0|1,0,0]=3 9273 B14R1.96 CC(=O)CCOc1ccccc1C#N 7a_100000211048_100000053229 [0,2,0,0,0,0|1,0,0]=3 9274 B14R1.96 CC(=O)CCOc1ccccc1C=O 1458a_100000070787_100009990610 [0,2,0,0,0,0|1,0,0]=3 9275 B14R1.96 CC(=O)CCOc1cccnc1C#N 7a_100000722750_100000053229 [0,2,0,0,0,0|2,0,0]=4 9276 B14R1.96 CC(=O)CCOc1cccnc1CBr 7a_200020655725_100000053229 [0,2,0,0,0,0|2,0,0]=4 9277 B14R1.96 CC(=O)CCOc1cnccc1C#N 7a_100012181322_100000053229 [0,2,0,0,0,0|2,0,0]=4 9278 B14R1.96 CC(=O)CCSc1ccccc1C#N 62a_100000053229_100000188569 [0,2,0,0,0,0|1,1,0]=4 9279 B14R1.96 CC(=O)CCSc1ccccc1C=O 62a_100000053229_100000210073 [0,2,0,0,0,0|1,1,0]=4 9280 B14R1.96 CC(=O)CCSc1ccccc1C=O 62a_100000210073_100000053229 [0,2,0,0,0,0|1,1,0]=4 9281 B14R1.96 CC(=O)CCSc1ccccc1CN 62a_100000053229_100000689332 [0,2,0,0,0,0|1,1,0]=4 9282 B14R1.96 CC(=O)CCSc1ccccc1CN 62a_100000689332_100000053229 [0,2,0,0,0,0|1,1,0]=4 9283 B14R1.96 CC(=O)CCSc1ccccc1CO 62a_100000053229_100000187465 [0,2,0,0,0,0|1,1,0]=4 9284 B14R1.96 CC(=O)CCSc1ccccc1CO 62a_100000187465_100000053229 [0,2,0,0,0,0|1,1,0]=4 9285 B14R1.96 CC(=O)CCSc1ccccc1NN 62a_100000053229_100000241748 [0,2,0,0,0,0|1,1,0]=4 9286 B14R1.96 CC(=O)CCSc1ccccc1NN 62a_100000241748_100000053229 [0,2,0,0,0,0|1,1,0]=4 9287 B14R1.96 CC(=O)OCOc1ccccc1C#N 34a_100000211048_100009813279 [0,2,0,0,0,0|2,0,0]=4 9288 B14R1.96 CC(=O)OCOc1ccccc1CN 34a_100000185550_100009813279 [0,2,0,0,0,0|2,0,0]=4 9289 B14R1.96 CC(=O)OCOc1ccccc1CO 34a_100011216872_100009813279 [0,2,0,0,0,0|2,0,0]=4 9290 B14R1.96 CC(O)CCOc1ccccc1C#N 34a_100000211048_100012276601 [0,2,0,0,0,0|1,0,1]=4 9291 B14R1.96 CC(O)CCOc1ccccc1C#N 7a_100000211048_100012276601 [0,2,0,0,0,0|1,0,1]=4 9292 B14R1.96 CC(O)CCOc1ccccc1CN 34a_100000185550_100012276601 [0,2,0,0,0,0|1,0,1]=4 9293 B14R1.96 CC(O)CCOc1ccccc1CO 34a_100011216872_100012276601 [0,2,0,0,0,0|1,0,1]=4 9294 B14R1.96 CCc1ccccc1NCCC(=O)C 7a_100000212081_100000053229 [0,2,0,0,0,0|2,0,0]=4 9295 B14R1.96 CCc1ccccc1NCCC(=O)N 2230a_100000212081_100000744528 [0,2,0,0,0,0|2,0,0]=4 9296 B14R1.96 CCc1ccccc1NCCC(=O)N 34a_100000212081_100000731001 [0,2,0,0,0,0|2,0,0]=4 9297 B14R1.96 CCc1ccccc1NCCC(=O)N 7a_100000212081_100000744528 [0,2,0,0,0,0|2,0,0]=4 9298 B14R1.96 CCc1ccccc1OCCC(=O)C 7a_100000210936_100000053229 [0,2,0,0,0,0|1,0,0]=3 9299 B14R1.96 CCc1ccccc1OCCC(=O)N 34a_100000210936_100000731001 [0,2,0,0,0,0|1,0,0]=3 9300 B14R1.96 CCc1ccccc1OCCC(=O)N 7a_100000210936_100000744528 [0,2,0,0,0,0|1,0,0]=3 9301 B14R1.96 CCc1ccccc1OCCC(C)O 34a_100000210936_100012276601 [0,2,0,0,0,0|1,0,1]=4 9302 B14R1.96 CCc1ccccc1OCCC(C)O 7a_100000210936_100012276601 [0,2,0,0,0,0|1,0,1]=4 9303 B14R1.96 CCc1ccccc1OCOC(=O)C 34a_100000210936_100009813279 [0,2,0,0,0,0|2,0,0]=4 9304 B14R1.96 CCc1ccccc1SCCC(=O)C 62a_100000053229_100011215823 [0,2,0,0,0,0|1,1,0]=4 9305 B14R1.96 CCc1ccccc1SCCC(=O)C 62a_100011215823_100000053229 [0,2,0,0,0,0|1,1,0]=4 9306 B14R1.96 CCc1ccccc1SCCC(=O)N 62a_100000744528_100011215823 [0,2,0,0,0,0|1,1,0]=4 9307 B14R1.96 CCc1ccccc1SCCC(=O)N 62a_100011215823_100000744528 [0,2,0,0,0,0|1,1,0]=4 9308 B14R1.96 CNc1ccccc1OCCC(=O)N 34a_100000033821_100000731001 [0,2,0,0,0,0|1,0,0]=3 9309 B14R1.96 CNc1ccccc1OCCC(C)O 34a_100000033821_100012276601 [0,2,0,0,0,0|1,0,1]=4 9310 B14R1.96 CNc1ccccc1OCOC(=O)C 34a_100000033821_100009813279 [0,2,0,0,0,0|2,0,0]=4 9311 B14R1.96 CNc1ccccc1SCCC(=O)C 62a_100000053229_100020606079 [0,2,0,0,0,0|1,1,0]=4 9312 B14R1.96 CNc1ccccc1SCCC(=O)C 62a_100020606079_100000053229 [0,2,0,0,0,0|1,1,0]=4 9313 B14R1.96 CNc1ccccc1SCCC(=O)N 62a_100000744528_100020606079 [0,2,0,0,0,0|1,1,0]=4 9314 B14R1.96 CNc1ccccc1SCCC(=O)N 62a_100020606079_100000744528 [0,2,0,0,0,0|1,1,0]=4 9315 B14R1.96 COc1ccccc1CNCC(=O)O 269956a_100016091260_100000210004 [0,2,0,0,0,0|2,0,0]=4 9316 B14R1.96 COc1ccccc1NCCC(=O)N 34a_100000210025_100000731001 [0,2,0,0,0,0|2,0,0]=4 9317 B14R1.96 COc1ccccc1OCCC(=O)C 1458a_100000070787_100000188471 [0,2,0,0,0,0|1,0,0]=3 9318 B14R1.96 COc1ccccc1OCCC(=O)C 1458a_100000182669_200000210301 [0,2,0,0,0,0|1,0,0]=3 9319 B14R1.96 COc1ccccc1OCCC(=O)N 34a_100000210385_100000731001 [0,2,0,0,0,0|1,0,0]=3 9320 B14R1.96 COc1ccccc1OCCC(=O)[13CH3] 1458a_100000182669_200025704644 [0,2,0,0,0,0|1,0,0]=3 9321 B14R1.96 COc1ccccc1OCCC(C)O 34a_100000210385_100012276601 [0,2,0,0,0,0|1,0,1]=4 9322 B14R1.96 COc1ccccc1OCOC(=O)C 34a_100000210385_100009813279 [0,2,0,0,0,0|2,0,0]=4 9323 B14R1.96 COc1ccccc1SCCC(=O)C 62a_100000053229_100000210334 [0,2,0,0,0,0|1,1,0]=4 9324 B14R1.96 COc1ccccc1SCCC(=O)C 62a_100000210334_100000053229 [0,2,0,0,0,0|1,1,0]=4 9325 B14R1.96 COc1ccccc1SCCC(=O)N 62a_100000210334_100000744528 [0,2,0,0,0,0|1,1,0]=4 9326 B14R1.96 COc1ccccc1SCCC(=O)N 62a_100000744528_100000210334 [0,2,0,0,0,0|1,1,0]=4 9327 B14R1.96 COc1cccnc1OCCC(=O)N 34a_100025773188_100000731001 [0,2,0,0,0,0|2,0,0]=4 9328 B14R1.96 COc1ccncc1OCCC(=O)N 34a_100000101186_100000731001 [0,2,0,0,0,0|2,0,0]=4 9329 B14R1.96 COc1ncccc1OCCC(=O)C 7a_100000698397_100000053229 [0,2,0,0,0,0|2,0,0]=4 9330 B14R1.96 COc1ncccc1OCCC(=O)N 34a_100000698397_100000731001 [0,2,0,0,0,0|2,0,0]=4 9331 B14R1.96 COc1ncccc1OCCC(=O)N 7a_100000698397_100000744528 [0,2,0,0,0,0|2,0,0]=4 9332 B14R1.96 CSc1ccccc1CNCC(=O)O 269956a_100016091260_100000699184 [0,2,0,0,0,0|2,0,0]=4 9333 B14R1.96 CSc1ccccc1NCCC(=O)N 34a_100000211160_100000731001 [0,2,0,0,0,0|2,0,0]=4 9334 B14R1.96 CSc1ccccc1OCCC(=O)N 34a_100011216402_100000731001 [0,2,0,0,0,0|1,0,0]=3 9335 B14R1.96 CSc1ccccc1OCCC(C)O 34a_100011216402_100012276601 [0,2,0,0,0,0|1,0,1]=4 9336 B14R1.96 CSc1ccccc1OCOC(=O)C 34a_100011216402_100009813279 [0,2,0,0,0,0|2,0,0]=4 9337 B14R1.96 CSc1ccccc1SCCC(=O)C 62a_100000053229_100011217816 [0,2,0,0,0,0|1,1,0]=4 9338 B14R1.96 CSc1ccccc1SCCC(=O)C 62a_100011217816_100000053229 [0,2,0,0,0,0|1,1,0]=4 9339 B14R1.96 CSc1ccccc1SCCC(=O)N 62a_100000744528_100011217816 [0,2,0,0,0,0|1,1,0]=4 9340 B14R1.96 CSc1ccccc1SCCC(=O)N 62a_100011217816_100000744528 [0,2,0,0,0,0|1,1,0]=4 9341 B14R1.96 N#Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000181865 [0,2,0,0,0,0|2,0,0]=4 9342 B14R1.96 N#Cc1ccccc1NCCC(=O)N 34a_100000211148_100000731001 [0,2,0,0,0,0|2,0,0]=4 9343 B14R1.96 N#Cc1ccccc1OCCC(=O)N 34a_100000211048_100000731001 [0,2,0,0,0,0|1,0,0]=3 9344 B14R1.96 N#Cc1ccccc1OCCC(=O)N 7a_100000211048_100000744528 [0,2,0,0,0,0|1,0,0]=3 9345 B14R1.96 N#Cc1ccccc1SCCC(=O)N 62a_100000744528_100000188569 [0,2,0,0,0,0|1,1,0]=4 9346 B14R1.96 N#Cc1ccncc1OCCC(=O)N 7a_100012181322_100000744528 [0,2,0,0,0,0|2,0,0]=4 9347 B14R1.96 N#Cc1ncccc1OCCC(=O)N 34a_100000722750_100000731001 [0,2,0,0,0,0|2,0,0]=4 9348 B14R1.96 N#Cc1ncccc1OCCC(=O)N 7a_100000722750_100000744528 [0,2,0,0,0,0|2,0,0]=4 9349 B14R1.96 NC(=O)CCNc1ccccc1CO 34a_100000212039_100000731001 [0,2,0,0,0,0|2,0,0]=4 9350 B14R1.96 NC(=O)CCOc1ccccc1CO 34a_100011216872_100000731001 [0,2,0,0,0,0|1,0,0]=3 9351 B14R1.96 NC(=O)CCOc1cccnc1CBr 34a_200020655725_100000731001 [0,2,0,0,0,0|2,0,0]=4 9352 B14R1.96 NC(=O)CCOc1cccnc1CBr 7a_200020655725_100000744528 [0,2,0,0,0,0|2,0,0]=4 9353 B14R1.96 NC(=O)CCOc1cccnc1CO 34a_100000731849_100000731001 [0,2,0,0,0,0|2,0,0]=4 9354 B14R1.96 NC(=O)CCOc1cnccc1CO 34a_100000078615_100000731001 [0,2,0,0,0,0|2,0,0]=4 9355 B14R1.96 NC(=O)CCSc1ccccc1C=O 62a_100000210073_100000744528 [0,2,0,0,0,0|1,1,0]=4 9356 B14R1.96 NC(=O)CCSc1ccccc1C=O 62a_100000744528_100000210073 [0,2,0,0,0,0|1,1,0]=4 9357 B14R1.96 NC(=O)CCSc1ccccc1CO 62a_100000187465_100000744528 [0,2,0,0,0,0|1,1,0]=4 9358 B14R1.96 NC(=O)CCSc1ccccc1CO 62a_100000744528_100000187465 [0,2,0,0,0,0|1,1,0]=4 9359 B14R1.96 NCc1ccccc1OCCC(=O)N 34a_100000185550_100000731001 [0,2,0,0,0,0|1,0,0]=3 9360 B14R1.96 NCc1ccccc1SCCC(=O)N 62a_100000689332_100000744528 [0,2,0,0,0,0|1,1,0]=4 9361 B14R1.96 NCc1ccccc1SCCC(=O)N 62a_100000744528_100000689332 [0,2,0,0,0,0|1,1,0]=4 9362 B14R1.96 NNc1ccccc1SCCC(=O)N 62a_100000241748_100000744528 [0,2,0,0,0,0|1,1,0]=4 9363 B14R1.96 NNc1ccccc1SCCC(=O)N 62a_100000744528_100000241748 [0,2,0,0,0,0|1,1,0]=4 9364 B14R1.96 O=C(O)CNCc1ccccc1CO 269956a_100016091260_100009816955 [0,2,0,0,0,0|2,0,0]=4 9365 B14R1.96 O=Cc1ccccc1CNCC(=O)O 269956a_100016091260_200009853537 [0,2,0,0,0,0|2,0,0]=4 9366 B14R1.161 CC(=O)C(=O)COc1ccccc1Br 34a_100000181306_100011261029 [0,2,0,0,0,0|1,0,1]=4 9367 B14R1.161 CC(=O)C(=O)COc1ccccc1C 34a_100000210338_100011261029 [0,2,0,0,0,0|1,0,1]=4 9368 B14R1.161 CC(=O)C(=O)COc1ccccc1Cl 34a_100000210172_100011261029 [0,2,0,0,0,0|1,0,1]=4 9369 B14R1.161 CC(=O)C(=O)COc1ccccc1F 34a_100000210171_100011261029 [0,2,0,0,0,0|1,0,1]=4 9370 B14R1.161 CC(=O)C(=O)COc1ccccc1I 34a_100000739446_100011261029 [0,2,0,0,0,0|1,0,1]=4 9371 B14R1.161 CC(=O)C(=O)COc1ccccc1N 34a_100000185747_100011261029 [0,2,0,0,0,0|1,0,1]=4 9372 B14R1.161 CC(=O)C(O)COc1ccccc1C 1458a_100011934399_200000210301 [0,2,0,0,0,0|1,0,0]=3 9373 B14R1.161 C[C@H](NCc1ccccc1Br)C(=O)O 269956a_100000743915_100000184730 [0,2,0,0,0,0|2,0,0]=4 9374 B14R1.161 C[C@H](NCc1ccccc1Cl)C(=O)O 269956a_100000743915_100000187162 [0,2,0,0,0,0|2,0,0]=4 9375 B14R1.161 C[C@H](NCc1ccccc1F)C(=O)O 269956a_100000743915_100000187165 [0,2,0,0,0,0|2,0,0]=4 9376 B14R1.161 C[C@H](NCc1ccccc1I)C(=O)O 269956a_100000743915_100011216222 [0,2,0,0,0,0|2,0,0]=4 9377 B14R1.161 Cc1ccccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000211750 [0,2,0,0,0,0|2,0,0]=4 9378 B14R1.161 Cc1ccccc1OCC(O)C(=O)[13CH3] 1458a_100011934399_200025704644 [0,2,0,0,0,0|1,0,0]=3 9379 B14R1.242 CC(C)(O)CCOc1ccccc1Br 34a_100000181306_100000702414 [0,2,0,0,0,0|1,0,1]=4 9380 B14R1.242 CC(C)(O)CCOc1ccccc1Br 7a_100000181306_100000702414 [0,2,0,0,0,0|1,0,1]=4 9381 B14R1.242 CC(C)(O)CCOc1ccccc1Cl 34a_100000210172_100000702414 [0,2,0,0,0,0|1,0,1]=4 9382 B14R1.242 CC(C)(O)CCOc1ccccc1Cl 7a_100000210172_100000702414 [0,2,0,0,0,0|1,0,1]=4 9383 B14R1.242 CC(C)(O)CCOc1ccccc1F 34a_100000210171_100000702414 [0,2,0,0,0,0|1,0,1]=4 9384 B14R1.242 CC(C)(O)CCOc1ccccc1F 7a_100000210171_100000702414 [0,2,0,0,0,0|1,0,1]=4 9385 B14R1.242 CC(C)(O)CCOc1ccccc1I 34a_100000739446_100000702414 [0,2,0,0,0,0|1,0,1]=4 9386 B14R1.242 CC(C)(O)CCOc1ccccc1I 7a_100000739446_100000702414 [0,2,0,0,0,0|1,0,1]=4 9387 B14R1.242 CC(C)(O)CCOc1ccccc1N 34a_100000185747_100000702414 [0,2,0,0,0,0|1,0,1]=4 9388 B14R1.242 CC(C)(O)CCOc1ccccc1N 7a_100000185747_100000702414 [0,2,0,0,0,0|1,0,1]=4 9389 B14R1.242 CS(=O)(=O)CCOc1ccccc1Br 34a_100000181306_100000731031 [0,2,0,0,0,0|1,0,1]=4 9390 B14R1.242 CS(=O)(=O)CCOc1ccccc1Br 7a_100000181306_100000230027 [0,2,0,0,0,0|1,0,1]=4 9391 B14R1.242 CS(=O)(=O)CCOc1ccccc1Cl 34a_100000210172_100000731031 [0,2,0,0,0,0|1,0,1]=4 9392 B14R1.242 CS(=O)(=O)CCOc1ccccc1Cl 7a_100000210172_100000230027 [0,2,0,0,0,0|1,0,1]=4 9393 B14R1.242 CS(=O)(=O)CCOc1ccccc1F 34a_100000210171_100000731031 [0,2,0,0,0,0|1,0,1]=4 9394 B14R1.242 CS(=O)(=O)CCOc1ccccc1F 7a_100000210171_100000230027 [0,2,0,0,0,0|1,0,1]=4 9395 B14R1.242 CS(=O)(=O)CCOc1ccccc1I 34a_100000739446_100000731031 [0,2,0,0,0,0|1,0,1]=4 9396 B14R1.242 CS(=O)(=O)CCOc1ccccc1I 7a_100000739446_100000230027 [0,2,0,0,0,0|1,0,1]=4 9397 B14R1.242 CS(=O)(=O)CCOc1ccccc1N 34a_100000185747_100000731031 [0,2,0,0,0,0|1,0,1]=4 9398 B14R1.242 CS(=O)(=O)CCOc1ccccc1N 7a_100000185747_100000230027 [0,2,0,0,0,0|1,0,1]=4 9399 B14R1.242 Cc1ccccc1OCCC(C)(C)O 34a_100000210338_100000702414 [0,2,0,0,0,0|1,0,1]=4 9400 B14R1.242 Cc1ccccc1OCCC(C)(C)O 7a_100000210338_100000702414 [0,2,0,0,0,0|1,0,1]=4 9401 B14R1.242 Cc1ccccc1OCCS(=O)(=O)C 34a_100000210338_100000731031 [0,2,0,0,0,0|1,0,1]=4 9402 B14R1.242 Cc1ccccc1OCCS(=O)(=O)C 7a_100000210338_100000230027 [0,2,0,0,0,0|1,0,1]=4 9403 B14R1.242 Cc1ccccc1OCCS(=O)(=O)[O-] 34a_100000210338_100000762736 [0,2,0,0,0,0|1,0,1]=4 9404 B14R1.242 Nc1ccccc1OCCS(=O)(=O)[O-] 34a_100000185747_100000762736 [0,2,0,0,0,0|1,0,1]=4 9405 B14R1.242 O=S(=O)([O-])CCOc1ccccc1Br 34a_100000181306_100000762736 [0,2,0,0,0,0|1,0,1]=4 9406 B14R1.242 O=S(=O)([O-])CCOc1ccccc1Cl 34a_100000210172_100000762736 [0,2,0,0,0,0|1,0,1]=4 9407 B14R1.242 O=S(=O)([O-])CCOc1ccccc1F 34a_100000210171_100000762736 [0,2,0,0,0,0|1,0,1]=4 9408 B14R1.242 O=S(=O)([O-])CCOc1ccccc1I 34a_100000739446_100000762736 [0,2,0,0,0,0|1,0,1]=4 9409 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200000210301 [0,2,0,0,0,0|2,0,0]=4 9410 B14R1.337 CN(CC(=O)O)Cc1ccccc1Br 269956a_100000746989_100000184730 [0,2,0,0,0,0|2,0,0]=4 9411 B14R1.337 CN(CC(=O)O)Cc1ccccc1Cl 269956a_100000746989_100000187162 [0,2,0,0,0,0|2,0,0]=4 9412 B14R1.337 CN(CC(=O)O)Cc1ccccc1F 269956a_100000746989_100000187165 [0,2,0,0,0,0|2,0,0]=4 9413 B14R1.337 CN(CC(=O)O)Cc1ccccc1I 269956a_100000746989_100011216222 [0,2,0,0,0,0|2,0,0]=4 9414 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_100000746989_100000211750 [0,2,0,0,0,0|2,0,0]=4 9415 B14R1.337 Cc1ccccc1CN(C)CC(=O)O 269956a_200000743881_200000210301 [0,2,0,0,0,0|2,0,0]=4 9416 B14R1.337 Cc1ccccc1CN([13CH3])CC(=O)O 269956a_200000743881_200025704644 [0,2,0,0,0,0|2,0,0]=4 9417 B14R1.337 [13CH3]N(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_200025704644 [0,2,0,0,0,0|2,0,0]=4 9418 B14R1.837 C#CC(=O)CCCc1ccccc1Br 1458a_100000211873_200011713681 [0,2,0,0,0,0|2,0,0]=4 9419 B14R1.837 C#CC(=O)CCOc1ccccc1Br 1458a_100000211873_100000695877 [0,2,0,0,0,0|1,0,0]=3 9420 B14R1.837 C#CC(=O)CCOc1ccccc1C 1458a_100000211873_100000184434 [0,2,0,0,0,0|1,0,0]=3 9421 B14R1.837 C#CC(=O)CCOc1ccccc1F 1458a_100000211873_100000183290 [0,2,0,0,0,0|1,0,0]=3 9422 B14R1.837 C=CC(=O)CCCc1ccccc1Br 1458a_100000185746_200011713681 [0,2,0,0,0,0|2,0,0]=4 9423 B14R1.837 C=CC(=O)CCOc1ccccc1Br 1458a_100000185746_100000695877 [0,2,0,0,0,0|1,0,0]=3 9424 B14R1.837 C=CC(=O)CCOc1ccccc1C 1458a_100000185746_100000184434 [0,2,0,0,0,0|1,0,0]=3 9425 B14R1.837 C=CC(=O)CCOc1ccccc1F 1458a_100000185746_100000183290 [0,2,0,0,0,0|1,0,0]=3 9426 B14R1.837 CCC(=O)CCCc1ccccc1Br 1458a_100000210414_200011713681 [0,2,0,0,0,0|2,0,0]=4 9427 B14R1.837 CCC(=O)CCCc1ccccc1Cl 1458a_100000700343_100000210202 [0,2,0,0,0,0|2,0,0]=4 9428 B14R1.837 CCC(=O)CCCc1ccccc1O 1458a_100009859317_100000210202 [0,2,0,0,0,0|2,0,0]=4 9429 B14R1.837 CCC(=O)CCOc1ccccc1Br 1458a_100000210414_100000695877 [0,2,0,0,0,0|1,0,0]=3 9430 B14R1.837 CCC(=O)CCOc1ccccc1Br 1458a_100000740817_100000210202 [0,2,0,0,0,0|1,0,0]=3 9431 B14R1.837 CCC(=O)CCOc1ccccc1C 1458a_100000182324_100000210202 [0,2,0,0,0,0|1,0,0]=3 9432 B14R1.837 CCC(=O)CCOc1ccccc1C 1458a_100000210414_100000184434 [0,2,0,0,0,0|1,0,0]=3 9433 B14R1.837 CCC(=O)CCOc1ccccc1Cl 1458a_100000240438_100000210202 [0,2,0,0,0,0|1,0,0]=3 9434 B14R1.837 CCC(=O)CCOc1ccccc1F 1458a_100000184057_100000210202 [0,2,0,0,0,0|1,0,0]=3 9435 B14R1.837 CCC(=O)CCOc1ccccc1F 1458a_100000210414_100000183290 [0,2,0,0,0,0|1,0,0]=3 9436 B14R1.837 CCC(=O)CCSc1ccccc1F 1458a_100000208832_100000210202 [0,2,0,0,0,0|1,1,0]=4 9437 B14R1.837 CNC(=O)CCCc1ccccc1Cl 11a_106832991635_100000700343 [0,2,0,0,0,0|2,0,0]=4 9438 B14R1.837 CNC(=O)CCCc1ccccc1Cl 1626a_100102657272_100000700343 [0,2,0,0,0,0|2,0,0]=4 9439 B14R1.837 CNC(=O)CCCc1ccccc1Cl 240690a_100102657272_100000700343 [0,2,0,0,0,0|2,0,0]=4 9440 B14R1.837 CNC(=O)CCCc1ccccc1Cl 527a_100102657272_100000700343 [0,2,0,0,0,0|2,0,0]=4 9441 B14R1.837 CNC(=O)CCCc1ccccc1O 240690a_100102657272_100009859317 [0,2,0,0,0,0|2,0,0]=4 9442 B14R1.837 CNC(=O)CCCc1ccccc1O 527a_100102657272_100009859317 [0,2,0,0,0,0|2,0,0]=4 9443 B14R1.837 CNC(=O)CCNc1ccccc1Br 34a_100000210017_100012179268 [0,2,0,0,0,0|2,0,0]=4 9444 B14R1.837 CNC(=O)CCNc1ccccc1C 34a_100015192222_100012179268 [0,2,0,0,0,0|2,0,0]=4 9445 B14R1.837 CNC(=O)CCNc1ccccc1Cl 34a_100000185783_100012179268 [0,2,0,0,0,0|2,0,0]=4 9446 B14R1.837 CNC(=O)CCNc1ccccc1F 34a_100000210422_100012179268 [0,2,0,0,0,0|2,0,0]=4 9447 B14R1.837 CNC(=O)CCNc1ccccc1I 34a_100000210053_100012179268 [0,2,0,0,0,0|2,0,0]=4 9448 B14R1.837 CNC(=O)CCNc1ccccc1O 34a_100000185747_100012179268 [0,2,0,0,0,0|2,0,0]=4 9449 B14R1.837 CNC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000737683 [0,2,0,0,0,0|2,0,0]=4 9450 B14R1.837 CNC(=O)CCOc1ccccc1Br 240690a_100102657272_100000740817 [0,2,0,0,0,0|1,0,0]=3 9451 B14R1.837 CNC(=O)CCOc1ccccc1Br 34a_100000181306_100012179268 [0,2,0,0,0,0|1,0,0]=3 9452 B14R1.837 CNC(=O)CCOc1ccccc1Br 7a_100000181306_100000737683 [0,2,0,0,0,0|1,0,0]=3 9453 B14R1.837 CNC(=O)CCOc1ccccc1C 11a_106832991635_100000182324 [0,2,0,0,0,0|1,0,0]=3 9454 B14R1.837 CNC(=O)CCOc1ccccc1C 1626a_100102657272_100000182324 [0,2,0,0,0,0|1,0,0]=3 9455 B14R1.837 CNC(=O)CCOc1ccccc1C 240690a_100102657272_100000182324 [0,2,0,0,0,0|1,0,0]=3 9456 B14R1.837 CNC(=O)CCOc1ccccc1C 34a_100000210338_100012179268 [0,2,0,0,0,0|1,0,0]=3 9457 B14R1.837 CNC(=O)CCOc1ccccc1C 7a_100000210338_100000737683 [0,2,0,0,0,0|1,0,0]=3 9458 B14R1.837 CNC(=O)CCOc1ccccc1Cl 1626a_100102657272_100000240438 [0,2,0,0,0,0|1,0,0]=3 9459 B14R1.837 CNC(=O)CCOc1ccccc1Cl 240690a_100102657272_100000240438 [0,2,0,0,0,0|1,0,0]=3 9460 B14R1.837 CNC(=O)CCOc1ccccc1Cl 34a_100000210172_100012179268 [0,2,0,0,0,0|1,0,0]=3 9461 B14R1.837 CNC(=O)CCOc1ccccc1Cl 7a_100000210172_100000737683 [0,2,0,0,0,0|1,0,0]=3 9462 B14R1.837 CNC(=O)CCOc1ccccc1F 1626a_100102657272_100000184057 [0,2,0,0,0,0|1,0,0]=3 9463 B14R1.837 CNC(=O)CCOc1ccccc1F 240690a_100102657272_100000184057 [0,2,0,0,0,0|1,0,0]=3 9464 B14R1.837 CNC(=O)CCOc1ccccc1F 34a_100000210171_100012179268 [0,2,0,0,0,0|1,0,0]=3 9465 B14R1.837 CNC(=O)CCOc1ccccc1F 7a_100000210171_100000737683 [0,2,0,0,0,0|1,0,0]=3 9466 B14R1.837 CNC(=O)CCOc1ccccc1I 34a_100000739446_100012179268 [0,2,0,0,0,0|1,0,0]=3 9467 B14R1.837 CNC(=O)CCOc1ccccc1I 7a_100000739446_100000737683 [0,2,0,0,0,0|1,0,0]=3 9468 B14R1.837 CNC(=O)CCOc1ccccc1N 34a_100000185747_100012179268 [0,2,0,0,0,0|1,0,0]=3 9469 B14R1.837 CNC(=O)CCOc1ccccc1N 7a_100000185747_100000737683 [0,2,0,0,0,0|1,0,0]=3 9470 B14R1.837 CNC(=O)CCOc1cccnc1Br 34a_100000744436_100012179268 [0,2,0,0,0,0|2,0,0]=4 9471 B14R1.837 CNC(=O)CCOc1cccnc1Br 7a_100000744436_100000737683 [0,2,0,0,0,0|2,0,0]=4 9472 B14R1.837 CNC(=O)CCOc1cccnc1C 34a_100000745507_100012179268 [0,2,0,0,0,0|2,0,0]=4 9473 B14R1.837 CNC(=O)CCOc1cccnc1C 7a_100000745507_100000737683 [0,2,0,0,0,0|2,0,0]=4 9474 B14R1.837 CNC(=O)CCOc1cccnc1Cl 34a_100000757616_100012179268 [0,2,0,0,0,0|2,0,0]=4 9475 B14R1.837 CNC(=O)CCOc1cccnc1Cl 7a_100000757616_100000737683 [0,2,0,0,0,0|2,0,0]=4 9476 B14R1.837 CNC(=O)CCOc1cccnc1F 34a_100000061740_100012179268 [0,2,0,0,0,0|2,0,0]=4 9477 B14R1.837 CNC(=O)CCOc1cccnc1F 7a_100000061740_100000737683 [0,2,0,0,0,0|2,0,0]=4 9478 B14R1.837 CNC(=O)CCOc1cccnc1I 34a_100000034122_100012179268 [0,2,0,0,0,0|2,0,0]=4 9479 B14R1.837 CNC(=O)CCOc1cccnc1I 7a_100000034122_100000737683 [0,2,0,0,0,0|2,0,0]=4 9480 B14R1.837 CNC(=O)CCOc1cccnc1N 34a_100000211975_100012179268 [0,2,0,0,0,0|2,0,0]=4 9481 B14R1.837 CNC(=O)CCOc1cccnc1N 7a_100000211975_100000737683 [0,2,0,0,0,0|2,0,0]=4 9482 B14R1.837 CNC(=O)CCOc1cccoc1=O 34a_100000077404_100012179268 [0,2,0,0,0,0|2,0,0]=4 9483 B14R1.837 CNC(=O)CCOc1cccoc1=O 7a_100000077404_100000737683 [0,2,0,0,0,0|2,0,0]=4 9484 B14R1.837 CNC(=O)CCOc1ccncc1Br 34a_100011996408_100012179268 [0,2,0,0,0,0|2,0,0]=4 9485 B14R1.837 CNC(=O)CCOc1ccncc1C 34a_100000694293_100012179268 [0,2,0,0,0,0|2,0,0]=4 9486 B14R1.837 CNC(=O)CCOc1ccncc1Cl 34a_100011997054_100012179268 [0,2,0,0,0,0|2,0,0]=4 9487 B14R1.837 CNC(=O)CCOc1ccncc1F 34a_200000081243_100012179268 [0,2,0,0,0,0|2,0,0]=4 9488 B14R1.837 CNC(=O)CCOc1cnccc1C 34a_100011997053_100012179268 [0,2,0,0,0,0|2,0,0]=4 9489 B14R1.837 CNC(=O)CCOc1cnccc1C 7a_100011997053_100000737683 [0,2,0,0,0,0|2,0,0]=4 9490 B14R1.837 CNC(=O)CCOc1cnccc1Cl 34a_100011996695_100012179268 [0,2,0,0,0,0|2,0,0]=4 9491 B14R1.837 CNC(=O)CCOc1cnccc1I 34a_100000050107_100012179268 [0,2,0,0,0,0|2,0,0]=4 9492 B14R1.837 CNC(=O)CCOc1cnccc1N 34a_100000753702_100012179268 [0,2,0,0,0,0|2,0,0]=4 9493 B14R1.837 CNC(=O)CCOc1coccc1=O 34a_100000060831_100012179268 [0,2,0,0,0,0|2,0,0]=4 9494 B14R1.837 CNC(=O)CCOc1ncccc1Cl 34a_100011290957_100012179268 [0,2,0,0,0,0|2,0,0]=4 9495 B14R1.837 CNC(=O)CCOc1ncccc1F 34a_100011219419_100012179268 [0,2,0,0,0,0|2,0,0]=4 9496 B14R1.837 CNC(=O)CCOc1ncccc1N 34a_100000746358_100012179268 [0,2,0,0,0,0|2,0,0]=4 9497 B14R1.837 CNC(=O)CCSc1ccccc1Br 62a_100000695589_100000737683 [0,2,0,0,0,0|1,1,0]=4 9498 B14R1.837 CNC(=O)CCSc1ccccc1Br 62a_100000737683_100000695589 [0,2,0,0,0,0|1,1,0]=4 9499 B14R1.837 CNC(=O)CCSc1ccccc1C 62a_100000210755_100000737683 [0,2,0,0,0,0|1,1,0]=4 9500 B14R1.837 CNC(=O)CCSc1ccccc1C 62a_100000737683_100000210755 [0,2,0,0,0,0|1,1,0]=4 9501 B14R1.837 CNC(=O)CCSc1ccccc1Cl 62a_100000737683_100000764095 [0,2,0,0,0,0|1,1,0]=4 9502 B14R1.837 CNC(=O)CCSc1ccccc1Cl 62a_100000764095_100000737683 [0,2,0,0,0,0|1,1,0]=4 9503 B14R1.837 CNC(=O)CCSc1ccccc1F 11a_106832991635_100000208832 [0,2,0,0,0,0|1,1,0]=4 9504 B14R1.837 CNC(=O)CCSc1ccccc1F 1626a_100102657272_100000208832 [0,2,0,0,0,0|1,1,0]=4 9505 B14R1.837 CNC(=O)CCSc1ccccc1F 240690a_100102657272_100000208832 [0,2,0,0,0,0|1,1,0]=4 9506 B14R1.837 CNC(=O)CCSc1ccccc1F 527a_100102657272_100000208832 [0,2,0,0,0,0|1,1,0]=4 9507 B14R1.837 CNC(=O)CCSc1ccccc1F 62a_100000737683_100011215700 [0,2,0,0,0,0|1,1,0]=4 9508 B14R1.837 CNC(=O)CCSc1ccccc1F 62a_100011215700_100000737683 [0,2,0,0,0,0|1,1,0]=4 9509 B14R1.837 CNC(=O)CCSc1ccccc1N 62a_100000210017_100000737683 [0,2,0,0,0,0|1,1,0]=4 9510 B14R1.837 CNC(=O)CCSc1ccccc1N 62a_100000737683_100000210017 [0,2,0,0,0,0|1,1,0]=4 9511 B14R1.837 CNC(=O)CCSc1ccccc1O 62a_100000737683_100000739446 [0,2,0,0,0,0|1,1,0]=4 9512 B14R1.837 CNC(=O)CCSc1ccccc1O 62a_100000739446_100000737683 [0,2,0,0,0,0|1,1,0]=4 9513 B14R1.837 COC(=O)CCNc1ccccc1Br 34a_100000210017_100000742370 [0,2,0,0,0,0|1,0,0]=3 9514 B14R1.837 COC(=O)CCNc1ccccc1C 34a_100015192222_100000742370 [0,2,0,0,0,0|1,0,0]=3 9515 B14R1.837 COC(=O)CCNc1ccccc1Cl 34a_100000185783_100000742370 [0,2,0,0,0,0|1,0,0]=3 9516 B14R1.837 COC(=O)CCNc1ccccc1F 34a_100000210422_100000742370 [0,2,0,0,0,0|1,0,0]=3 9517 B14R1.837 COC(=O)CCNc1ccccc1I 34a_100000210053_100000742370 [0,2,0,0,0,0|1,0,0]=3 9518 B14R1.837 COC(=O)CCNc1ccccc1O 34a_100000185747_100000742370 [0,2,0,0,0,0|1,0,0]=3 9519 B14R1.837 COC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000204255 [0,2,0,0,0,0|1,0,0]=3 9520 B14R1.837 COC(=O)CCOc1ccccc1Br 34a_100000181306_100000742370 [0,2,0,0,0,0|0,0,0]=2 9521 B14R1.837 COC(=O)CCOc1ccccc1Br 7a_100000181306_100000204255 [0,2,0,0,0,0|0,0,0]=2 9522 B14R1.837 COC(=O)CCOc1ccccc1C 34a_100000210338_100000742370 [0,2,0,0,0,0|0,0,0]=2 9523 B14R1.837 COC(=O)CCOc1ccccc1C 7a_100000210338_100000204255 [0,2,0,0,0,0|0,0,0]=2 9524 B14R1.837 COC(=O)CCOc1ccccc1Cl 34a_100000210172_100000742370 [0,2,0,0,0,0|0,0,0]=2 9525 B14R1.837 COC(=O)CCOc1ccccc1Cl 7a_100000210172_100000204255 [0,2,0,0,0,0|0,0,0]=2 9526 B14R1.837 COC(=O)CCOc1ccccc1F 34a_100000210171_100000742370 [0,2,0,0,0,0|0,0,0]=2 9527 B14R1.837 COC(=O)CCOc1ccccc1F 7a_100000210171_100000204255 [0,2,0,0,0,0|0,0,0]=2 9528 B14R1.837 COC(=O)CCOc1ccccc1I 34a_100000739446_100000742370 [0,2,0,0,0,0|0,0,0]=2 9529 B14R1.837 COC(=O)CCOc1ccccc1I 7a_100000739446_100000204255 [0,2,0,0,0,0|0,0,0]=2 9530 B14R1.837 COC(=O)CCOc1ccccc1N 34a_100000185747_100000742370 [0,2,0,0,0,0|0,0,0]=2 9531 B14R1.837 COC(=O)CCOc1ccccc1N 7a_100000185747_100000204255 [0,2,0,0,0,0|0,0,0]=2 9532 B14R1.837 COC(=O)CCOc1cccnc1Br 34a_100000744436_100000742370 [0,2,0,0,0,0|1,0,0]=3 9533 B14R1.837 COC(=O)CCOc1cccnc1Br 7a_100000744436_100000204255 [0,2,0,0,0,0|1,0,0]=3 9534 B14R1.837 COC(=O)CCOc1cccnc1C 34a_100000745507_100000742370 [0,2,0,0,0,0|1,0,0]=3 9535 B14R1.837 COC(=O)CCOc1cccnc1C 7a_100000745507_100000204255 [0,2,0,0,0,0|1,0,0]=3 9536 B14R1.837 COC(=O)CCOc1cccnc1Cl 34a_100000757616_100000742370 [0,2,0,0,0,0|1,0,0]=3 9537 B14R1.837 COC(=O)CCOc1cccnc1Cl 7a_100000757616_100000204255 [0,2,0,0,0,0|1,0,0]=3 9538 B14R1.837 COC(=O)CCOc1cccnc1F 34a_100000061740_100000742370 [0,2,0,0,0,0|1,0,0]=3 9539 B14R1.837 COC(=O)CCOc1cccnc1F 7a_100000061740_100000204255 [0,2,0,0,0,0|1,0,0]=3 9540 B14R1.837 COC(=O)CCOc1cccnc1I 34a_100000034122_100000742370 [0,2,0,0,0,0|1,0,0]=3 9541 B14R1.837 COC(=O)CCOc1cccnc1I 7a_100000034122_100000204255 [0,2,0,0,0,0|1,0,0]=3 9542 B14R1.837 COC(=O)CCOc1cccnc1N 34a_100000211975_100000742370 [0,2,0,0,0,0|1,0,0]=3 9543 B14R1.837 COC(=O)CCOc1cccnc1N 7a_100000211975_100000204255 [0,2,0,0,0,0|1,0,0]=3 9544 B14R1.837 COC(=O)CCOc1cccoc1=O 34a_100000077404_100000742370 [0,2,0,0,0,0|1,0,0]=3 9545 B14R1.837 COC(=O)CCOc1cccoc1=O 7a_100000077404_100000204255 [0,2,0,0,0,0|1,0,0]=3 9546 B14R1.837 COC(=O)CCOc1ccncc1Br 34a_100011996408_100000742370 [0,2,0,0,0,0|1,0,0]=3 9547 B14R1.837 COC(=O)CCOc1ccncc1C 34a_100000694293_100000742370 [0,2,0,0,0,0|1,0,0]=3 9548 B14R1.837 COC(=O)CCOc1ccncc1Cl 34a_100011997054_100000742370 [0,2,0,0,0,0|1,0,0]=3 9549 B14R1.837 COC(=O)CCOc1ccncc1F 34a_200000081243_100000742370 [0,2,0,0,0,0|1,0,0]=3 9550 B14R1.837 COC(=O)CCOc1cnccc1C 34a_100011997053_100000742370 [0,2,0,0,0,0|1,0,0]=3 9551 B14R1.837 COC(=O)CCOc1cnccc1C 7a_100011997053_100000204255 [0,2,0,0,0,0|1,0,0]=3 9552 B14R1.837 COC(=O)CCOc1cnccc1Cl 34a_100011996695_100000742370 [0,2,0,0,0,0|1,0,0]=3 9553 B14R1.837 COC(=O)CCOc1cnccc1I 34a_100000050107_100000742370 [0,2,0,0,0,0|1,0,0]=3 9554 B14R1.837 COC(=O)CCOc1cnccc1N 34a_100000753702_100000742370 [0,2,0,0,0,0|1,0,0]=3 9555 B14R1.837 COC(=O)CCOc1cncnc1N 7a_100000112926_100000204255 [0,2,0,0,0,0|2,0,0]=4 9556 B14R1.837 COC(=O)CCOc1coccc1=O 34a_100000060831_100000742370 [0,2,0,0,0,0|1,0,0]=3 9557 B14R1.837 COC(=O)CCOc1ncccc1Cl 34a_100011290957_100000742370 [0,2,0,0,0,0|1,0,0]=3 9558 B14R1.837 COC(=O)CCOc1ncccc1F 34a_100011219419_100000742370 [0,2,0,0,0,0|1,0,0]=3 9559 B14R1.837 COC(=O)CCOc1ncccc1N 34a_100000746358_100000742370 [0,2,0,0,0,0|1,0,0]=3 9560 B14R1.837 COC(=O)CCOc1nccnc1C 34a_100000766352_100000742370 [0,2,0,0,0,0|2,0,0]=4 9561 B14R1.837 COC(=O)CCSc1c[nH]ccc1=O 62a_100000204255_100009998708 [0,2,0,0,0,0|1,1,0]=4 9562 B14R1.837 COC(=O)CCSc1c[nH]ccc1=O 62a_100009998708_100000204255 [0,2,0,0,0,0|1,1,0]=4 9563 B14R1.837 COC(=O)CCSc1c[nH]ccc1=S 62a_100000204255_200012280681 [0,2,0,0,0,0|1,1,0]=4 9564 B14R1.837 COC(=O)CCSc1c[nH]ccc1=S 62a_200012280681_100000204255 [0,2,0,0,0,0|1,1,0]=4 9565 B14R1.837 COC(=O)CCSc1cccc[n+]1C 62a_100000204255_100000212160 [0,2,0,0,0,0|1,1,0]=4 9566 B14R1.837 COC(=O)CCSc1cccc[n+]1[O-] 62a_100000204255_200000042595 [0,2,0,0,0,0|1,1,0]=4 9567 B14R1.837 COC(=O)CCSc1ccccc1Br 62a_100000204255_100000695589 [0,2,0,0,0,0|0,1,0]=3 9568 B14R1.837 COC(=O)CCSc1ccccc1Br 62a_100000695589_100000204255 [0,2,0,0,0,0|0,1,0]=3 9569 B14R1.837 COC(=O)CCSc1ccccc1C 62a_100000204255_100000210755 [0,2,0,0,0,0|0,1,0]=3 9570 B14R1.837 COC(=O)CCSc1ccccc1C 62a_100000210755_100000204255 [0,2,0,0,0,0|0,1,0]=3 9571 B14R1.837 COC(=O)CCSc1ccccc1Cl 62a_100000204255_100000764095 [0,2,0,0,0,0|0,1,0]=3 9572 B14R1.837 COC(=O)CCSc1ccccc1Cl 62a_100000764095_100000204255 [0,2,0,0,0,0|0,1,0]=3 9573 B14R1.837 COC(=O)CCSc1ccccc1F 62a_100000204255_100011215700 [0,2,0,0,0,0|0,1,0]=3 9574 B14R1.837 COC(=O)CCSc1ccccc1F 62a_100011215700_100000204255 [0,2,0,0,0,0|0,1,0]=3 9575 B14R1.837 COC(=O)CCSc1ccccc1N 62a_100000204255_100000210017 [0,2,0,0,0,0|0,1,0]=3 9576 B14R1.837 COC(=O)CCSc1ccccc1N 62a_100000210017_100000204255 [0,2,0,0,0,0|0,1,0]=3 9577 B14R1.837 COC(=O)CCSc1ccccc1O 62a_100000204255_100000739446 [0,2,0,0,0,0|0,1,0]=3 9578 B14R1.837 COC(=O)CCSc1ccccc1O 62a_100000739446_100000204255 [0,2,0,0,0,0|0,1,0]=3 9579 B14R1.837 COC(=O)CCSc1cccnc1Br 62a_100000204255_100010202626 [0,2,0,0,0,0|1,1,0]=4 9580 B14R1.837 COC(=O)CCSc1cccnc1Br 62a_100010202626_100000204255 [0,2,0,0,0,0|1,1,0]=4 9581 B14R1.837 COC(=O)CCSc1cccnc1C 62a_100000204255_100000751574 [0,2,0,0,0,0|1,1,0]=4 9582 B14R1.837 COC(=O)CCSc1cccnc1C 62a_100000751574_100000204255 [0,2,0,0,0,0|1,1,0]=4 9583 B14R1.837 COC(=O)CCSc1cccnc1Cl 62a_100000036424_100000204255 [0,2,0,0,0,0|1,1,0]=4 9584 B14R1.837 COC(=O)CCSc1cccnc1Cl 62a_100000204255_100000036424 [0,2,0,0,0,0|1,1,0]=4 9585 B14R1.837 COC(=O)CCSc1cccnc1F 62a_100000204255_100009816115 [0,2,0,0,0,0|1,1,0]=4 9586 B14R1.837 COC(=O)CCSc1cccnc1F 62a_100009816115_100000204255 [0,2,0,0,0,0|1,1,0]=4 9587 B14R1.837 COC(=O)CCSc1cccnc1N 62a_100000045569_100000204255 [0,2,0,0,0,0|1,1,0]=4 9588 B14R1.837 COC(=O)CCSc1cccnc1N 62a_100000204255_100000045569 [0,2,0,0,0,0|1,1,0]=4 9589 B14R1.837 COC(=O)CCSc1cccnc1O 62a_100000204255_100000760158 [0,2,0,0,0,0|1,1,0]=4 9590 B14R1.837 COC(=O)CCSc1cccnc1O 62a_100000760158_100000204255 [0,2,0,0,0,0|1,1,0]=4 9591 B14R1.837 COC(=O)CCSc1ccncc1Br 62a_100000204255_100000726257 [0,2,0,0,0,0|1,1,0]=4 9592 B14R1.837 COC(=O)CCSc1ccncc1Br 62a_100000726257_100000204255 [0,2,0,0,0,0|1,1,0]=4 9593 B14R1.837 COC(=O)CCSc1ccncc1C 62a_100000204255_100000765111 [0,2,0,0,0,0|1,1,0]=4 9594 B14R1.837 COC(=O)CCSc1ccncc1C 62a_100000765111_100000204255 [0,2,0,0,0,0|1,1,0]=4 9595 B14R1.837 COC(=O)CCSc1ccncc1Cl 62a_100000204255_100000708259 [0,2,0,0,0,0|1,1,0]=4 9596 B14R1.837 COC(=O)CCSc1ccncc1Cl 62a_100000708259_100000204255 [0,2,0,0,0,0|1,1,0]=4 9597 B14R1.837 COC(=O)CCSc1ccncc1F 62a_100000047030_100000204255 [0,2,0,0,0,0|1,1,0]=4 9598 B14R1.837 COC(=O)CCSc1ccncc1F 62a_100000204255_100000047030 [0,2,0,0,0,0|1,1,0]=4 9599 B14R1.837 COC(=O)CCSc1ccncc1N 62a_100000204255_100000756074 [0,2,0,0,0,0|1,1,0]=4 9600 B14R1.837 COC(=O)CCSc1ccncc1N 62a_100000756074_100000204255 [0,2,0,0,0,0|1,1,0]=4 9601 B14R1.837 COC(=O)CCSc1ccncc1O 62a_100000204255_100009817591 [0,2,0,0,0,0|1,1,0]=4 9602 B14R1.837 COC(=O)CCSc1ccncc1O 62a_100009817591_100000204255 [0,2,0,0,0,0|1,1,0]=4 9603 B14R1.837 COC(=O)CCSc1cnccc1Br 62a_100000204255_100010138639 [0,2,0,0,0,0|1,1,0]=4 9604 B14R1.837 COC(=O)CCSc1cnccc1Br 62a_100010138639_100000204255 [0,2,0,0,0,0|1,1,0]=4 9605 B14R1.837 COC(=O)CCSc1cnccc1C 62a_100000204255_100000761580 [0,2,0,0,0,0|1,1,0]=4 9606 B14R1.837 COC(=O)CCSc1cnccc1C 62a_100000761580_100000204255 [0,2,0,0,0,0|1,1,0]=4 9607 B14R1.837 COC(=O)CCSc1cnccc1Cl 62a_100000204255_100009995489 [0,2,0,0,0,0|1,1,0]=4 9608 B14R1.837 COC(=O)CCSc1cnccc1Cl 62a_100009995489_100000204255 [0,2,0,0,0,0|1,1,0]=4 9609 B14R1.837 COC(=O)CCSc1cnccc1F 62a_100000204255_100009820683 [0,2,0,0,0,0|1,1,0]=4 9610 B14R1.837 COC(=O)CCSc1cnccc1F 62a_100009820683_100000204255 [0,2,0,0,0,0|1,1,0]=4 9611 B14R1.837 COC(=O)CCSc1cnccc1N 62a_100000047001_100000204255 [0,2,0,0,0,0|1,1,0]=4 9612 B14R1.837 COC(=O)CCSc1cnccc1N 62a_100000204255_100000047001 [0,2,0,0,0,0|1,1,0]=4 9613 B14R1.837 COC(=O)CCSc1ncccc1Br 62a_100000204255_100000696092 [0,2,0,0,0,0|1,1,0]=4 9614 B14R1.837 COC(=O)CCSc1ncccc1Br 62a_100000696092_100000204255 [0,2,0,0,0,0|1,1,0]=4 9615 B14R1.837 COC(=O)CCSc1ncccc1C 62a_100000204255_100000751373 [0,2,0,0,0,0|1,1,0]=4 9616 B14R1.837 COC(=O)CCSc1ncccc1C 62a_100000751373_100000204255 [0,2,0,0,0,0|1,1,0]=4 9617 B14R1.837 COC(=O)CCSc1ncccc1Cl 62a_100000204255_100011356963 [0,2,0,0,0,0|1,1,0]=4 9618 B14R1.837 COC(=O)CCSc1ncccc1Cl 62a_100011356963_100000204255 [0,2,0,0,0,0|1,1,0]=4 9619 B14R1.837 COC(=O)CCSc1ncccc1F 62a_100000204255_100000685392 [0,2,0,0,0,0|1,1,0]=4 9620 B14R1.837 COC(=O)CCSc1ncccc1F 62a_100000685392_100000204255 [0,2,0,0,0,0|1,1,0]=4 9621 B14R1.837 COC(=O)CCSc1ncccc1N 62a_100000204255_100000688686 [0,2,0,0,0,0|1,1,0]=4 9622 B14R1.837 COC(=O)CCSc1ncccc1N 62a_100000688686_100000204255 [0,2,0,0,0,0|1,1,0]=4 9623 B14R1.837 COC(=O)CCSc1ncccc1O 62a_100000034122_100000204255 [0,2,0,0,0,0|1,1,0]=4 9624 B14R1.837 COC(=O)CCSc1ncccc1O 62a_100000204255_100000034122 [0,2,0,0,0,0|1,1,0]=4 9625 B14R1.837 COC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747449 [0,2,0,0,0,0|2,0,0]=4 9626 B14R1.837 COC(=O)CNCc1ccccc1Br 34a_100000689332_100000747449 [0,2,0,0,0,0|2,0,0]=4 9627 B14R1.837 COC(=O)CNCc1ccccc1C 34a_100000174972_100000747449 [0,2,0,0,0,0|2,0,0]=4 9628 B14R1.837 COC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747449 [0,2,0,0,0,0|2,0,0]=4 9629 B14R1.837 COC(=O)CNCc1ccccc1Cl 34a_100000174879_100000747449 [0,2,0,0,0,0|2,0,0]=4 9630 B14R1.837 COC(=O)CNCc1ccccc1F 34a_100000174869_100000747449 [0,2,0,0,0,0|2,0,0]=4 9631 B14R1.837 COC(=O)CNCc1ccccc1O 34a_100000185550_100000747449 [0,2,0,0,0,0|2,0,0]=4 9632 B14R1.837 COC(=O)COCc1ccccc1Br 34a_100000756307_100000747449 [0,2,0,0,0,0|2,0,0]=4 9633 B14R1.837 COC(=O)COCc1ccccc1Br 7a_100000756307_100000747449 [0,2,0,0,0,0|2,0,0]=4 9634 B14R1.837 COC(=O)COCc1ccccc1C 34a_100000698903_100000747449 [0,2,0,0,0,0|2,0,0]=4 9635 B14R1.837 COC(=O)COCc1ccccc1C 7a_100000698903_100000747449 [0,2,0,0,0,0|2,0,0]=4 9636 B14R1.837 COC(=O)COCc1ccccc1Cl 34a_100000210847_100000747449 [0,2,0,0,0,0|2,0,0]=4 9637 B14R1.837 COC(=O)COCc1ccccc1Cl 7a_100000210847_100000747449 [0,2,0,0,0,0|2,0,0]=4 9638 B14R1.837 COC(=O)COCc1ccccc1F 34a_100000211962_100000747449 [0,2,0,0,0,0|2,0,0]=4 9639 B14R1.837 COC(=O)COCc1ccccc1F 7a_100000211962_100000747449 [0,2,0,0,0,0|2,0,0]=4 9640 B14R1.837 COC(=O)COCc1ccccc1I 34a_100000187465_100000747449 [0,2,0,0,0,0|2,0,0]=4 9641 B14R1.837 COC(=O)COCc1ccccc1I 7a_100000187465_100000747449 [0,2,0,0,0,0|2,0,0]=4 9642 B14R1.837 COC(=O)COCc1ccccc1N 34a_100000212039_100000747449 [0,2,0,0,0,0|2,0,0]=4 9643 B14R1.837 COC(=O)CSCc1ccccc1Br 62a_100000184730_100000747449 [0,2,0,0,0,0|2,0,0]=4 9644 B14R1.837 COC(=O)CSCc1ccccc1Br 62a_100000747449_100000184730 [0,2,0,0,0,0|2,0,0]=4 9645 B14R1.837 COC(=O)CSCc1ccccc1C 62a_100000211839_100000747449 [0,2,0,0,0,0|2,0,0]=4 9646 B14R1.837 COC(=O)CSCc1ccccc1C 62a_100000747449_100000211839 [0,2,0,0,0,0|2,0,0]=4 9647 B14R1.837 COC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747449 [0,2,0,0,0,0|2,0,0]=4 9648 B14R1.837 COC(=O)CSCc1ccccc1Cl 62a_100000747449_100000187162 [0,2,0,0,0,0|2,0,0]=4 9649 B14R1.837 COC(=O)CSCc1ccccc1F 62a_100000211605_100000747449 [0,2,0,0,0,0|2,0,0]=4 9650 B14R1.837 COC(=O)CSCc1ccccc1F 62a_100000747449_100000211605 [0,2,0,0,0,0|2,0,0]=4 9651 B14R1.837 COC(=O)CSCc1ccccc1I 62a_100000747449_100011216222 [0,2,0,0,0,0|2,0,0]=4 9652 B14R1.837 COC(=O)CSCc1ccccc1I 62a_100011216222_100000747449 [0,2,0,0,0,0|2,0,0]=4 9653 B14R1.837 COC(=O)OCSc1ccccc1Br 62a_100000695589_100000139417 [0,2,0,0,0,0|1,1,0]=4 9654 B14R1.837 COC(=O)OCSc1ccccc1C 62a_100000210755_100000139417 [0,2,0,0,0,0|1,1,0]=4 9655 B14R1.837 COC(=O)OCSc1ccccc1Cl 62a_100000764095_100000139417 [0,2,0,0,0,0|1,1,0]=4 9656 B14R1.837 COC(=O)OCSc1ccccc1F 62a_100011215700_100000139417 [0,2,0,0,0,0|1,1,0]=4 9657 B14R1.837 COC(=O)OCSc1ccccc1N 62a_100000210017_100000139417 [0,2,0,0,0,0|1,1,0]=4 9658 B14R1.837 COC(=O)OCSc1ccccc1O 62a_100000739446_100000139417 [0,2,0,0,0,0|1,1,0]=4 9659 B14R1.837 Cc1ccccc1CCNC(=O)CO 240690a_100000685071_100000210174 [0,2,0,0,0,0|2,0,0]=4 9660 B14R1.837 Cc1ccccc1CCNC(=O)CO 527a_100000685071_100000210174 [0,2,0,0,0,0|2,0,0]=4 9661 B14R1.837 Cc1ccccc1OCCC(=O)CF 1458a_100000182324_100015361967 [0,2,0,0,0,0|1,0,0]=3 9662 B14R1.837 Cc1ccccc1OCCC(=O)CO 1458a_100000210174_100000184434 [0,2,0,0,0,0|0,0,0]=2 9663 B14R1.837 O=C(CF)CCCc1ccccc1Cl 1458a_100000700343_100015361967 [0,2,0,0,0,0|2,0,0]=4 9664 B14R1.837 O=C(CF)CCCc1ccccc1O 1458a_100009859317_100015361967 [0,2,0,0,0,0|2,0,0]=4 9665 B14R1.837 O=C(CF)CCOc1ccccc1Br 1458a_100000740817_100015361967 [0,2,0,0,0,0|1,0,0]=3 9666 B14R1.837 O=C(CF)CCOc1ccccc1Cl 1458a_100000240438_100015361967 [0,2,0,0,0,0|1,0,0]=3 9667 B14R1.837 O=C(CF)CCOc1ccccc1F 1458a_100000184057_100015361967 [0,2,0,0,0,0|1,0,0]=3 9668 B14R1.837 O=C(CF)CCSc1ccccc1F 1458a_100000208832_100015361967 [0,2,0,0,0,0|1,1,0]=4 9669 B14R1.837 O=C(CO)CC#Cc1ccccc1Br 1458a_100000210174_100010706765 [0,2,0,0,0,0|1,0,1]=4 9670 B14R1.837 O=C(CO)CC#Cc1ccccc1F 1458a_100000210174_100010404167 [0,2,0,0,0,0|1,0,1]=4 9671 B14R1.837 O=C(CO)CCCc1ccccc1Br 1458a_100000210174_200011713681 [0,2,0,0,0,0|1,0,0]=3 9672 B14R1.837 O=C(CO)CCOc1ccccc1Br 1458a_100000210174_100000695877 [0,2,0,0,0,0|0,0,0]=2 9673 B14R1.837 O=C(CO)CCOc1ccccc1F 1458a_100000210174_100000183290 [0,2,0,0,0,0|0,0,0]=2 9674 B14R1.837 O=C(CO)NCCc1ccccc1Br 240690a_100000747383_100000210174 [0,2,0,0,0,0|2,0,0]=4 9675 B14R1.837 O=C(CO)NCCc1ccccc1Br 527a_100000747383_100000210174 [0,2,0,0,0,0|2,0,0]=4 9676 B14R1.837 O=C(CO)NCCc1ccccc1Cl 240690a_100011207228_100000210174 [0,2,0,0,0,0|2,0,0]=4 9677 B14R1.837 O=C(CO)NCCc1ccccc1Cl 527a_100011207228_100000210174 [0,2,0,0,0,0|2,0,0]=4 9678 B14R1.837 O=C(CO)NCCc1ccccc1F 240690a_100000185272_100000210174 [0,2,0,0,0,0|2,0,0]=4 9679 B14R1.837 O=C(CO)NCCc1ccccc1F 527a_100000185272_100000210174 [0,2,0,0,0,0|2,0,0]=4 9680 B14R1.837 O=C(CO)NCCc1ccccc1O 240690a_100011207237_100000210174 [0,2,0,0,0,0|2,0,0]=4 9681 B14R1.837 O=C(CO)NCCc1ccccc1O 527a_100011207237_100000210174 [0,2,0,0,0,0|2,0,0]=4 9682 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)Br 34a_100000188717_100000730704 [0,2,0,0,0,0|2,0,0]=4 9683 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)Br 7a_100000188717_100000730704 [0,2,0,0,0,0|2,0,0]=4 9684 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)C 34a_100000210800_100000730704 [0,2,0,0,0,0|2,0,0]=4 9685 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)C 7a_100000210800_100000730704 [0,2,0,0,0,0|2,0,0]=4 9686 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)Cl 34a_100000211998_100000730704 [0,2,0,0,0,0|2,0,0]=4 9687 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)Cl 7a_100000211998_100000730704 [0,2,0,0,0,0|2,0,0]=4 9688 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)F 34a_100000211999_100000730704 [0,2,0,0,0,0|2,0,0]=4 9689 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)F 7a_100000211999_100000730704 [0,2,0,0,0,0|2,0,0]=4 9690 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)I 34a_100012361655_100000730704 [0,2,0,0,0,0|2,0,0]=4 9691 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)I 7a_100012361655_100000730704 [0,2,0,0,0,0|2,0,0]=4 9692 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)N 34a_100011534360_100000730704 [0,2,0,0,0,0|2,0,0]=4 9693 B14R1.4464 C=C(C)CCOc1ccc(cc1Br)N 7a_100011534360_100000730704 [0,2,0,0,0,0|2,0,0]=4 9694 B14R1.4464 C=C(C)CCOc1ccc(cc1C)Br 34a_100000186361_100000730704 [0,2,0,0,0,0|2,0,0]=4 9695 B14R1.4464 C=C(C)CCOc1ccc(cc1C)Br 7a_100000186361_100000730704 [0,2,0,0,0,0|2,0,0]=4 9696 B14R1.4464 C=C(C)CCOc1ccc(cc1C)C 34a_100000211776_100000730704 [0,2,0,0,0,0|2,0,0]=4 9697 B14R1.4464 C=C(C)CCOc1ccc(cc1C)C 7a_100000211776_100000730704 [0,2,0,0,0,0|2,0,0]=4 9698 B14R1.4464 C=C(C)CCOc1ccc(cc1C)Cl 34a_100000211091_100000730704 [0,2,0,0,0,0|2,0,0]=4 9699 B14R1.4464 C=C(C)CCOc1ccc(cc1C)Cl 7a_100000211091_100000730704 [0,2,0,0,0,0|2,0,0]=4 9700 B14R1.4464 C=C(C)CCOc1ccc(cc1C)F 34a_100000764316_100000730704 [0,2,0,0,0,0|2,0,0]=4 9701 B14R1.4464 C=C(C)CCOc1ccc(cc1C)F 7a_100000764316_100000730704 [0,2,0,0,0,0|2,0,0]=4 9702 B14R1.4464 C=C(C)CCOc1ccc(cc1C)I 34a_100011218673_100000730704 [0,2,0,0,0,0|2,0,0]=4 9703 B14R1.4464 C=C(C)CCOc1ccc(cc1C)I 7a_100011218673_100000730704 [0,2,0,0,0,0|2,0,0]=4 9704 B14R1.4464 C=C(C)CCOc1ccc(cc1C)N 34a_100011218179_100000730704 [0,2,0,0,0,0|2,0,0]=4 9705 B14R1.4464 C=C(C)CCOc1ccc(cc1C)N 7a_100011218179_100000730704 [0,2,0,0,0,0|2,0,0]=4 9706 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)Br 34a_100000186472_100000730704 [0,2,0,0,0,0|2,0,0]=4 9707 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)Br 7a_100000186472_100000730704 [0,2,0,0,0,0|2,0,0]=4 9708 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)C 34a_100000749699_100000730704 [0,2,0,0,0,0|2,0,0]=4 9709 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)C 7a_100000749699_100000730704 [0,2,0,0,0,0|2,0,0]=4 9710 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000730704 [0,2,0,0,0,0|2,0,0]=4 9711 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000730704 [0,2,0,0,0,0|2,0,0]=4 9712 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)F 34a_100000212004_100000730704 [0,2,0,0,0,0|2,0,0]=4 9713 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)F 7a_100000212004_100000730704 [0,2,0,0,0,0|2,0,0]=4 9714 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)I 34a_100012360047_100000730704 [0,2,0,0,0,0|2,0,0]=4 9715 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)I 7a_100012360047_100000730704 [0,2,0,0,0,0|2,0,0]=4 9716 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)N 34a_100000744943_100000730704 [0,2,0,0,0,0|2,0,0]=4 9717 B14R1.4464 C=C(C)CCOc1ccc(cc1Cl)N 7a_100000744943_100000730704 [0,2,0,0,0,0|2,0,0]=4 9718 B14R1.4464 C=C(C)CCOc1ccc(cc1F)Br 34a_100000185481_100000730704 [0,2,0,0,0,0|2,0,0]=4 9719 B14R1.4464 C=C(C)CCOc1ccc(cc1F)Br 7a_100000185481_100000730704 [0,2,0,0,0,0|2,0,0]=4 9720 B14R1.4464 C=C(C)CCOc1ccc(cc1F)C 34a_100011216688_100000730704 [0,2,0,0,0,0|2,0,0]=4 9721 B14R1.4464 C=C(C)CCOc1ccc(cc1F)C 7a_100011216688_100000730704 [0,2,0,0,0,0|2,0,0]=4 9722 B14R1.4464 C=C(C)CCOc1ccc(cc1F)Cl 34a_100000230166_100000730704 [0,2,0,0,0,0|2,0,0]=4 9723 B14R1.4464 C=C(C)CCOc1ccc(cc1F)Cl 7a_100000230166_100000730704 [0,2,0,0,0,0|2,0,0]=4 9724 B14R1.4464 C=C(C)CCOc1ccc(cc1F)F 34a_100000230127_100000730704 [0,2,0,0,0,0|2,0,0]=4 9725 B14R1.4464 C=C(C)CCOc1ccc(cc1F)F 7a_100000230127_100000730704 [0,2,0,0,0,0|2,0,0]=4 9726 B14R1.4464 C=C(C)CCOc1ccc(cc1F)I 34a_100011356965_100000730704 [0,2,0,0,0,0|2,0,0]=4 9727 B14R1.4464 C=C(C)CCOc1ccc(cc1F)I 7a_100011356965_100000730704 [0,2,0,0,0,0|2,0,0]=4 9728 B14R1.4464 C=C(C)CCOc1ccc(cc1F)N 34a_100011220035_100000730704 [0,2,0,0,0,0|2,0,0]=4 9729 B14R1.4464 C=C(C)CCOc1ccc(cc1F)N 7a_100011220035_100000730704 [0,2,0,0,0,0|2,0,0]=4 9730 B14R1.4464 C=C(C)CCOc1ccc(cc1I)Br 34a_100012355227_100000730704 [0,2,0,0,0,0|2,0,0]=4 9731 B14R1.4464 C=C(C)CCOc1ccc(cc1I)Br 7a_100012355227_100000730704 [0,2,0,0,0,0|2,0,0]=4 9732 B14R1.4464 C=C(C)CCOc1ccc(cc1I)C 34a_100000765521_100000730704 [0,2,0,0,0,0|2,0,0]=4 9733 B14R1.4464 C=C(C)CCOc1ccc(cc1I)C 7a_100000765521_100000730704 [0,2,0,0,0,0|2,0,0]=4 9734 B14R1.4464 C=C(C)CCOc1ccc(cc1I)Cl 34a_100011356953_100000730704 [0,2,0,0,0,0|2,0,0]=4 9735 B14R1.4464 C=C(C)CCOc1ccc(cc1I)Cl 7a_100011356953_100000730704 [0,2,0,0,0,0|2,0,0]=4 9736 B14R1.4464 C=C(C)CCOc1ccc(cc1I)F 34a_100012355409_100000730704 [0,2,0,0,0,0|2,0,0]=4 9737 B14R1.4464 C=C(C)CCOc1ccc(cc1I)F 7a_100012355409_100000730704 [0,2,0,0,0,0|2,0,0]=4 9738 B14R1.4464 C=C(C)CCOc1ccc(cc1I)I 7a_100010001573_100000730704 [0,2,0,0,0,0|2,0,0]=4 9739 B14R1.4464 C=C(C)CCOc1ccc(cc1N)Br 34a_100000752626_100000730704 [0,2,0,0,0,0|2,0,0]=4 9740 B14R1.4464 C=C(C)CCOc1ccc(cc1N)Br 7a_100000752626_100000730704 [0,2,0,0,0,0|2,0,0]=4 9741 B14R1.4464 C=C(C)CCOc1ccc(cc1N)C 34a_100011215204_100000730704 [0,2,0,0,0,0|2,0,0]=4 9742 B14R1.4464 C=C(C)CCOc1ccc(cc1N)C 7a_100011215204_100000730704 [0,2,0,0,0,0|2,0,0]=4 9743 B14R1.4464 C=C(C)CCOc1ccc(cc1N)Cl 34a_100000210500_100000730704 [0,2,0,0,0,0|2,0,0]=4 9744 B14R1.4464 C=C(C)CCOc1ccc(cc1N)Cl 7a_100000210500_100000730704 [0,2,0,0,0,0|2,0,0]=4 9745 B14R1.4464 C=C(C)CCOc1ccc(cc1N)F 34a_100000759472_100000730704 [0,2,0,0,0,0|2,0,0]=4 9746 B14R1.4464 C=C(C)CCOc1ccc(cc1N)F 7a_100000759472_100000730704 [0,2,0,0,0,0|2,0,0]=4 9747 B14R1.4464 C=C(C)CCOc1ccc(cc1N)I 34a_100000753495_100000730704 [0,2,0,0,0,0|2,0,0]=4 9748 B14R1.4464 C=C(C)CCOc1ccc(cc1N)I 7a_100000753495_100000730704 [0,2,0,0,0,0|2,0,0]=4 9749 B14R1.4464 C=C(C)CCOc1ccc(cc1N)N 34a_100000725306_100000730704 [0,2,0,0,0,0|2,0,0]=4 9750 B14R1.4464 CC(=O)CCCc1ccc(cc1F)F 1458a_100011236538_200000210301 [0,2,0,0,0,0|2,0,0]=4 9751 B14R1.4464 CC(=O)CCNc1ccc(cc1C)Br 7a_100000211769_100000053229 [0,2,0,0,0,0|2,0,0]=4 9752 B14R1.4464 CC(=O)CCNc1ccc(cc1C)C 7a_100000736561_100000053229 [0,2,0,0,0,0|2,0,0]=4 9753 B14R1.4464 CC(=O)CCNc1ccc(cc1C)Cl 7a_100000210418_100000053229 [0,2,0,0,0,0|2,0,0]=4 9754 B14R1.4464 CC(=O)CCNc1ccc(cc1C)F 7a_100000211637_100000053229 [0,2,0,0,0,0|2,0,0]=4 9755 B14R1.4464 CC(=O)CCNc1ccc(cc1C)I 7a_100000184554_100000053229 [0,2,0,0,0,0|2,0,0]=4 9756 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)Br 7a_100000188717_100000053229 [0,2,0,0,0,0|1,0,0]=3 9757 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)C 7a_100000210800_100000053229 [0,2,0,0,0,0|1,0,0]=3 9758 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)Cl 1458a_100000070787_100000199037 [0,2,0,0,0,0|1,0,0]=3 9759 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)Cl 7a_100000211998_100000053229 [0,2,0,0,0,0|1,0,0]=3 9760 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)F 7a_100000211999_100000053229 [0,2,0,0,0,0|1,0,0]=3 9761 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)I 7a_100012361655_100000053229 [0,2,0,0,0,0|1,0,0]=3 9762 B14R1.4464 CC(=O)CCOc1ccc(cc1Br)N 7a_100011534360_100000053229 [0,2,0,0,0,0|1,0,0]=3 9763 B14R1.4464 CC(=O)CCOc1ccc(cc1C)Br 7a_100000186361_100000053229 [0,2,0,0,0,0|1,0,0]=3 9764 B14R1.4464 CC(=O)CCOc1ccc(cc1C)C 1458a_100000070787_100011210784 [0,2,0,0,0,0|1,0,0]=3 9765 B14R1.4464 CC(=O)CCOc1ccc(cc1C)C 1458a_100000737123_200000210301 [0,2,0,0,0,0|1,0,0]=3 9766 B14R1.4464 CC(=O)CCOc1ccc(cc1C)C 7a_100000211776_100000053229 [0,2,0,0,0,0|1,0,0]=3 9767 B14R1.4464 CC(=O)CCOc1ccc(cc1C)Cl 7a_100000211091_100000053229 [0,2,0,0,0,0|1,0,0]=3 9768 B14R1.4464 CC(=O)CCOc1ccc(cc1C)F 7a_100000764316_100000053229 [0,2,0,0,0,0|1,0,0]=3 9769 B14R1.4464 CC(=O)CCOc1ccc(cc1C)I 7a_100011218673_100000053229 [0,2,0,0,0,0|1,0,0]=3 9770 B14R1.4464 CC(=O)CCOc1ccc(cc1C)N 7a_100011218179_100000053229 [0,2,0,0,0,0|1,0,0]=3 9771 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)Br 7a_100000186472_100000053229 [0,2,0,0,0,0|1,0,0]=3 9772 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)C 7a_100000749699_100000053229 [0,2,0,0,0,0|1,0,0]=3 9773 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)Cl 1458a_100000070787_100000184432 [0,2,0,0,0,0|1,0,0]=3 9774 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000053229 [0,2,0,0,0,0|1,0,0]=3 9775 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)F 1458a_100000240429_200000210301 [0,2,0,0,0,0|1,0,0]=3 9776 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)F 7a_100000212004_100000053229 [0,2,0,0,0,0|1,0,0]=3 9777 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)I 7a_100012360047_100000053229 [0,2,0,0,0,0|1,0,0]=3 9778 B14R1.4464 CC(=O)CCOc1ccc(cc1Cl)N 7a_100000744943_100000053229 [0,2,0,0,0,0|1,0,0]=3 9779 B14R1.4464 CC(=O)CCOc1ccc(cc1F)Br 7a_100000185481_100000053229 [0,2,0,0,0,0|1,0,0]=3 9780 B14R1.4464 CC(=O)CCOc1ccc(cc1F)C 7a_100011216688_100000053229 [0,2,0,0,0,0|1,0,0]=3 9781 B14R1.4464 CC(=O)CCOc1ccc(cc1F)Cl 7a_100000230166_100000053229 [0,2,0,0,0,0|1,0,0]=3 9782 B14R1.4464 CC(=O)CCOc1ccc(cc1F)F 1458a_100000743258_200000210301 [0,2,0,0,0,0|1,0,0]=3 9783 B14R1.4464 CC(=O)CCOc1ccc(cc1F)F 7a_100000230127_100000053229 [0,2,0,0,0,0|1,0,0]=3 9784 B14R1.4464 CC(=O)CCOc1ccc(cc1F)I 7a_100011356965_100000053229 [0,2,0,0,0,0|1,0,0]=3 9785 B14R1.4464 CC(=O)CCOc1ccc(cc1F)N 7a_100011220035_100000053229 [0,2,0,0,0,0|1,0,0]=3 9786 B14R1.4464 CC(=O)CCOc1ccc(cc1I)Br 7a_100012355227_100000053229 [0,2,0,0,0,0|1,0,0]=3 9787 B14R1.4464 CC(=O)CCOc1ccc(cc1I)C 7a_100000765521_100000053229 [0,2,0,0,0,0|1,0,0]=3 9788 B14R1.4464 CC(=O)CCOc1ccc(cc1I)Cl 7a_100011356953_100000053229 [0,2,0,0,0,0|1,0,0]=3 9789 B14R1.4464 CC(=O)CCOc1ccc(cc1I)F 7a_100012355409_100000053229 [0,2,0,0,0,0|1,0,0]=3 9790 B14R1.4464 CC(=O)CCOc1ccc(cc1I)I 7a_100010001573_100000053229 [0,2,0,0,0,0|1,0,0]=3 9791 B14R1.4464 CC(=O)CCOc1ccc(cc1N)Br 7a_100000752626_100000053229 [0,2,0,0,0,0|1,0,0]=3 9792 B14R1.4464 CC(=O)CCOc1ccc(cc1N)C 7a_100011215204_100000053229 [0,2,0,0,0,0|1,0,0]=3 9793 B14R1.4464 CC(=O)CCOc1ccc(cc1N)Cl 7a_100000210500_100000053229 [0,2,0,0,0,0|1,0,0]=3 9794 B14R1.4464 CC(=O)CCOc1ccc(cc1N)F 7a_100000759472_100000053229 [0,2,0,0,0,0|1,0,0]=3 9795 B14R1.4464 CC(=O)CCOc1ccc(cc1N)I 7a_100000753495_100000053229 [0,2,0,0,0,0|1,0,0]=3 9796 B14R1.4464 CC(=O)CCOc1ccc(nc1Br)Br 7a_100009999766_100000053229 [0,2,0,0,0,0|2,0,0]=4 9797 B14R1.4464 CC(=O)CCOc1ccc(nc1Br)C 7a_100000702858_100000053229 [0,2,0,0,0,0|2,0,0]=4 9798 B14R1.4464 CC(=O)CCOc1ccc(nc1Br)Cl 7a_100010219353_100000053229 [0,2,0,0,0,0|2,0,0]=4 9799 B14R1.4464 CC(=O)CCOc1ccc(nc1Br)F 7a_100009887730_100000053229 [0,2,0,0,0,0|2,0,0]=4 9800 B14R1.4464 CC(=O)CCOc1ccc(nc1Br)I 7a_100000725334_100000053229 [0,2,0,0,0,0|2,0,0]=4 9801 B14R1.4464 CC(=O)CCOc1ccc(nc1C)Br 7a_100012002022_100000053229 [0,2,0,0,0,0|2,0,0]=4 9802 B14R1.4464 CC(=O)CCOc1ccc(nc1C)C 7a_100011218912_100000053229 [0,2,0,0,0,0|2,0,0]=4 9803 B14R1.4464 CC(=O)CCOc1ccc(nc1C)Cl 7a_100012184626_100000053229 [0,2,0,0,0,0|2,0,0]=4 9804 B14R1.4464 CC(=O)CCOc1ccc(nc1C)F 7a_100009881036_100000053229 [0,2,0,0,0,0|2,0,0]=4 9805 B14R1.4464 CC(=O)CCOc1ccc(nc1C)I 7a_100010233687_100000053229 [0,2,0,0,0,0|2,0,0]=4 9806 B14R1.4464 CC(=O)CCOc1ccc(nc1Cl)Br 7a_100010246206_100000053229 [0,2,0,0,0,0|2,0,0]=4 9807 B14R1.4464 CC(=O)CCOc1ccc(nc1Cl)C 7a_100000086286_100000053229 [0,2,0,0,0,0|2,0,0]=4 9808 B14R1.4464 CC(=O)CCOc1ccc(nc1Cl)Cl 7a_100000101165_100000053229 [0,2,0,0,0,0|2,0,0]=4 9809 B14R1.4464 CC(=O)CCOc1ccc(nc1Cl)I 7a_100000721234_100000053229 [0,2,0,0,0,0|2,0,0]=4 9810 B14R1.4464 CC(=O)CCOc1ccc(nc1F)Br 7a_100009819667_100000053229 [0,2,0,0,0,0|2,0,0]=4 9811 B14R1.4464 CC(=O)CCOc1ccc(nc1F)C 7a_100000079963_100000053229 [0,2,0,0,0,0|2,0,0]=4 9812 B14R1.4464 CC(=O)CCOc1ccc(nc1F)Cl 7a_100009880201_100000053229 [0,2,0,0,0,0|2,0,0]=4 9813 B14R1.4464 CC(=O)CCOc1ccc(nc1F)F 7a_100000101184_100000053229 [0,2,0,0,0,0|2,0,0]=4 9814 B14R1.4464 CC(=O)CCOc1ccc(nc1I)Br 7a_100010253912_100000053229 [0,2,0,0,0,0|2,0,0]=4 9815 B14R1.4464 CC(=O)CCOc1ccc(nc1I)C 7a_100000023897_100000053229 [0,2,0,0,0,0|2,0,0]=4 9816 B14R1.4464 CC(=O)CCOc1ccc(nc1I)Cl 7a_100000696390_100000053229 [0,2,0,0,0,0|2,0,0]=4 9817 B14R1.4464 CC(=O)CCOc1ccc(nc1I)F 7a_100010382442_100000053229 [0,2,0,0,0,0|2,0,0]=4 9818 B14R1.4464 CC(=O)CCOc1ccc(nc1N)Br 7a_100000685527_100000053229 [0,2,0,0,0,0|2,0,0]=4 9819 B14R1.4464 CC(=O)CCOc1ccc(nc1N)C 7a_100000694039_100000053229 [0,2,0,0,0,0|2,0,0]=4 9820 B14R1.4464 CC(=O)CCOc1ccc(nc1N)Cl 7a_100000717809_100000053229 [0,2,0,0,0,0|2,0,0]=4 9821 B14R1.4464 CC(=O)CCOc1cnc(cc1Br)C 7a_100009843476_100000053229 [0,2,0,0,0,0|2,0,0]=4 9822 B14R1.4464 CC(=O)CCOc1cnc(cc1C)C 7a_200000068632_100000053229 [0,2,0,0,0,0|2,0,0]=4 9823 B14R1.4464 CC(=O)CCOc1cnc(cc1C)Cl 7a_100000692680_100000053229 [0,2,0,0,0,0|2,0,0]=4 9824 B14R1.4464 CC(=O)CCOc1cnc(cc1C)F 7a_100009856773_100000053229 [0,2,0,0,0,0|2,0,0]=4 9825 B14R1.4464 CC(=O)CCOc1cnc(cc1Cl)Cl 7a_100009868576_100000053229 [0,2,0,0,0,0|2,0,0]=4 9826 B14R1.4464 CC(=O)CCOc1cnc(cc1F)F 7a_100009885687_100000053229 [0,2,0,0,0,0|2,0,0]=4 9827 B14R1.4464 CC(=O)CCOc1cnc(cc1I)Cl 7a_100000698892_100000053229 [0,2,0,0,0,0|2,0,0]=4 9828 B14R1.4464 CC(=O)CCOc1cnc(cc1N)Br 7a_100009819941_100000053229 [0,2,0,0,0,0|2,0,0]=4 9829 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)Br 62a_100000053229_100011484698 [0,2,0,0,0,0|1,1,0]=4 9830 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)Br 62a_100011484698_100000053229 [0,2,0,0,0,0|1,1,0]=4 9831 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)C 62a_100000053229_100009813563 [0,2,0,0,0,0|1,1,0]=4 9832 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)C 62a_100009813563_100000053229 [0,2,0,0,0,0|1,1,0]=4 9833 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)Cl 62a_100000053229_100011219703 [0,2,0,0,0,0|1,1,0]=4 9834 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)Cl 62a_100011219703_100000053229 [0,2,0,0,0,0|1,1,0]=4 9835 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)F 62a_100000053229_100011217111 [0,2,0,0,0,0|1,1,0]=4 9836 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)F 62a_100011217111_100000053229 [0,2,0,0,0,0|1,1,0]=4 9837 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)N 62a_100000053229_100000750458 [0,2,0,0,0,0|1,1,0]=4 9838 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)N 62a_100000750458_100000053229 [0,2,0,0,0,0|1,1,0]=4 9839 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)O 62a_100000053229_100000701344 [0,2,0,0,0,0|1,1,0]=4 9840 B14R1.4464 CC(=O)CCSc1ccc(cc1Br)O 62a_100000701344_100000053229 [0,2,0,0,0,0|1,1,0]=4 9841 B14R1.4464 CC(=O)CCSc1ccc(cc1C)Br 62a_100000053229_100000701812 [0,2,0,0,0,0|1,1,0]=4 9842 B14R1.4464 CC(=O)CCSc1ccc(cc1C)Br 62a_100000701812_100000053229 [0,2,0,0,0,0|1,1,0]=4 9843 B14R1.4464 CC(=O)CCSc1ccc(cc1C)C 62a_100000053229_100011217332 [0,2,0,0,0,0|1,1,0]=4 9844 B14R1.4464 CC(=O)CCSc1ccc(cc1C)C 62a_100011217332_100000053229 [0,2,0,0,0,0|1,1,0]=4 9845 B14R1.4464 CC(=O)CCSc1ccc(cc1C)Cl 62a_100000053229_100011219607 [0,2,0,0,0,0|1,1,0]=4 9846 B14R1.4464 CC(=O)CCSc1ccc(cc1C)Cl 62a_100011219607_100000053229 [0,2,0,0,0,0|1,1,0]=4 9847 B14R1.4464 CC(=O)CCSc1ccc(cc1C)F 62a_100000053229_100011205405 [0,2,0,0,0,0|1,1,0]=4 9848 B14R1.4464 CC(=O)CCSc1ccc(cc1C)F 62a_100011205405_100000053229 [0,2,0,0,0,0|1,1,0]=4 9849 B14R1.4464 CC(=O)CCSc1ccc(cc1C)N 62a_100000053229_100000210723 [0,2,0,0,0,0|1,1,0]=4 9850 B14R1.4464 CC(=O)CCSc1ccc(cc1C)N 62a_100000210723_100000053229 [0,2,0,0,0,0|1,1,0]=4 9851 B14R1.4464 CC(=O)CCSc1ccc(cc1C)O 62a_100000053229_100000690111 [0,2,0,0,0,0|1,1,0]=4 9852 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)Br 62a_100000053229_100011216062 [0,2,0,0,0,0|1,1,0]=4 9853 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)Br 62a_100011216062_100000053229 [0,2,0,0,0,0|1,1,0]=4 9854 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)C 62a_100000053229_100011263221 [0,2,0,0,0,0|1,1,0]=4 9855 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)C 62a_100011263221_100000053229 [0,2,0,0,0,0|1,1,0]=4 9856 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)Cl 62a_100000053229_100000699841 [0,2,0,0,0,0|1,1,0]=4 9857 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000053229 [0,2,0,0,0,0|1,1,0]=4 9858 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)F 62a_100000053229_100000733362 [0,2,0,0,0,0|1,1,0]=4 9859 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)F 62a_100000733362_100000053229 [0,2,0,0,0,0|1,1,0]=4 9860 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)N 62a_100000053229_100000761885 [0,2,0,0,0,0|1,1,0]=4 9861 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)N 62a_100000761885_100000053229 [0,2,0,0,0,0|1,1,0]=4 9862 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)O 62a_100000047559_100000053229 [0,2,0,0,0,0|1,1,0]=4 9863 B14R1.4464 CC(=O)CCSc1ccc(cc1Cl)O 62a_100000053229_100000047559 [0,2,0,0,0,0|1,1,0]=4 9864 B14R1.4464 CC(=O)CCSc1ccc(cc1F)Br 62a_100000053229_100009814013 [0,2,0,0,0,0|1,1,0]=4 9865 B14R1.4464 CC(=O)CCSc1ccc(cc1F)Br 62a_100009814013_100000053229 [0,2,0,0,0,0|1,1,0]=4 9866 B14R1.4464 CC(=O)CCSc1ccc(cc1F)C 62a_100000053229_100011216119 [0,2,0,0,0,0|1,1,0]=4 9867 B14R1.4464 CC(=O)CCSc1ccc(cc1F)C 62a_100011216119_100000053229 [0,2,0,0,0,0|1,1,0]=4 9868 B14R1.4464 CC(=O)CCSc1ccc(cc1F)Cl 62a_100000053229_100011216042 [0,2,0,0,0,0|1,1,0]=4 9869 B14R1.4464 CC(=O)CCSc1ccc(cc1F)Cl 62a_100011216042_100000053229 [0,2,0,0,0,0|1,1,0]=4 9870 B14R1.4464 CC(=O)CCSc1ccc(cc1F)F 62a_100000053229_100000750030 [0,2,0,0,0,0|1,1,0]=4 9871 B14R1.4464 CC(=O)CCSc1ccc(cc1F)F 62a_100000750030_100000053229 [0,2,0,0,0,0|1,1,0]=4 9872 B14R1.4464 CC(=O)CCSc1ccc(cc1F)N 62a_100000053229_100011356925 [0,2,0,0,0,0|1,1,0]=4 9873 B14R1.4464 CC(=O)CCSc1ccc(cc1F)N 62a_100011356925_100000053229 [0,2,0,0,0,0|1,1,0]=4 9874 B14R1.4464 CC(=O)CCSc1ccc(cc1F)O 62a_100000053229_100000755031 [0,2,0,0,0,0|1,1,0]=4 9875 B14R1.4464 CC(=O)CCSc1ccc(cc1F)O 62a_100000755031_100000053229 [0,2,0,0,0,0|1,1,0]=4 9876 B14R1.4464 CC(=O)CCSc1ccc(cc1N)Br 62a_100000053229_100000743836 [0,2,0,0,0,0|1,1,0]=4 9877 B14R1.4464 CC(=O)CCSc1ccc(cc1N)Br 62a_100000743836_100000053229 [0,2,0,0,0,0|1,1,0]=4 9878 B14R1.4464 CC(=O)CCSc1ccc(cc1N)C 62a_100000053229_100011216686 [0,2,0,0,0,0|1,1,0]=4 9879 B14R1.4464 CC(=O)CCSc1ccc(cc1N)C 62a_100011216686_100000053229 [0,2,0,0,0,0|1,1,0]=4 9880 B14R1.4464 CC(=O)CCSc1ccc(cc1N)Cl 62a_100000053229_100000761886 [0,2,0,0,0,0|1,1,0]=4 9881 B14R1.4464 CC(=O)CCSc1ccc(cc1N)Cl 62a_100000761886_100000053229 [0,2,0,0,0,0|1,1,0]=4 9882 B14R1.4464 CC(=O)CCSc1ccc(cc1N)F 62a_100000053229_100000687223 [0,2,0,0,0,0|1,1,0]=4 9883 B14R1.4464 CC(=O)CCSc1ccc(cc1N)F 62a_100000687223_100000053229 [0,2,0,0,0,0|1,1,0]=4 9884 B14R1.4464 CC(=O)CCSc1ccc(cc1N)N 62a_100000053229_200012175722 [0,2,0,0,0,0|1,1,0]=4 9885 B14R1.4464 CC(=O)CCSc1ccc(cc1N)N 62a_200012175722_100000053229 [0,2,0,0,0,0|1,1,0]=4 9886 B14R1.4464 CC(=O)CCSc1ccc(cc1N)O 62a_100000053229_100011999798 [0,2,0,0,0,0|1,1,0]=4 9887 B14R1.4464 CC(=O)CCSc1ccc(cc1N)O 62a_100011999798_100000053229 [0,2,0,0,0,0|1,1,0]=4 9888 B14R1.4464 CC(=O)CCSc1ccc(cc1O)Br 62a_100000053229_100012344904 [0,2,0,0,0,0|1,1,0]=4 9889 B14R1.4464 CC(=O)CCSc1ccc(cc1O)Br 62a_100012344904_100000053229 [0,2,0,0,0,0|1,1,0]=4 9890 B14R1.4464 CC(=O)CCSc1ccc(cc1O)C 62a_100000053229_100012002257 [0,2,0,0,0,0|1,1,0]=4 9891 B14R1.4464 CC(=O)CCSc1ccc(cc1O)C 62a_100012002257_100000053229 [0,2,0,0,0,0|1,1,0]=4 9892 B14R1.4464 CC(=O)CCSc1ccc(cc1O)Cl 62a_100000050036_100000053229 [0,2,0,0,0,0|1,1,0]=4 9893 B14R1.4464 CC(=O)CCSc1ccc(cc1O)Cl 62a_100000053229_100000050036 [0,2,0,0,0,0|1,1,0]=4 9894 B14R1.4464 CC(=O)CCSc1ccc(cc1O)F 62a_100000053229_100000690578 [0,2,0,0,0,0|1,1,0]=4 9895 B14R1.4464 CC(=O)CCSc1ccc(cc1O)F 62a_100000690578_100000053229 [0,2,0,0,0,0|1,1,0]=4 9896 B14R1.4464 CC(=O)CCSc1ccc(cc1O)O 62a_100000053229_100009813921 [0,2,0,0,0,0|1,1,0]=4 9897 B14R1.4464 CC(=O)OCOc1ccc(cc1Br)Br 34a_100000188717_100009813279 [0,2,0,0,0,0|2,0,0]=4 9898 B14R1.4464 CC(=O)OCOc1ccc(cc1Br)C 34a_100000210800_100009813279 [0,2,0,0,0,0|2,0,0]=4 9899 B14R1.4464 CC(=O)OCOc1ccc(cc1Br)Cl 34a_100000211998_100009813279 [0,2,0,0,0,0|2,0,0]=4 9900 B14R1.4464 CC(=O)OCOc1ccc(cc1Br)F 34a_100000211999_100009813279 [0,2,0,0,0,0|2,0,0]=4 9901 B14R1.4464 CC(=O)OCOc1ccc(cc1Br)I 34a_100012361655_100009813279 [0,2,0,0,0,0|2,0,0]=4 9902 B14R1.4464 CC(=O)OCOc1ccc(cc1Br)N 34a_100011534360_100009813279 [0,2,0,0,0,0|2,0,0]=4 9903 B14R1.4464 CC(=O)OCOc1ccc(cc1C)Br 34a_100000186361_100009813279 [0,2,0,0,0,0|2,0,0]=4 9904 B14R1.4464 CC(=O)OCOc1ccc(cc1C)C 34a_100000211776_100009813279 [0,2,0,0,0,0|2,0,0]=4 9905 B14R1.4464 CC(=O)OCOc1ccc(cc1C)Cl 34a_100000211091_100009813279 [0,2,0,0,0,0|2,0,0]=4 9906 B14R1.4464 CC(=O)OCOc1ccc(cc1C)F 34a_100000764316_100009813279 [0,2,0,0,0,0|2,0,0]=4 9907 B14R1.4464 CC(=O)OCOc1ccc(cc1C)I 34a_100011218673_100009813279 [0,2,0,0,0,0|2,0,0]=4 9908 B14R1.4464 CC(=O)OCOc1ccc(cc1C)N 34a_100011218179_100009813279 [0,2,0,0,0,0|2,0,0]=4 9909 B14R1.4464 CC(=O)OCOc1ccc(cc1Cl)Br 34a_100000186472_100009813279 [0,2,0,0,0,0|2,0,0]=4 9910 B14R1.4464 CC(=O)OCOc1ccc(cc1Cl)C 34a_100000749699_100009813279 [0,2,0,0,0,0|2,0,0]=4 9911 B14R1.4464 CC(=O)OCOc1ccc(cc1Cl)Cl 34a_100015191787_100009813279 [0,2,0,0,0,0|2,0,0]=4 9912 B14R1.4464 CC(=O)OCOc1ccc(cc1Cl)F 34a_100000212004_100009813279 [0,2,0,0,0,0|2,0,0]=4 9913 B14R1.4464 CC(=O)OCOc1ccc(cc1Cl)I 34a_100012360047_100009813279 [0,2,0,0,0,0|2,0,0]=4 9914 B14R1.4464 CC(=O)OCOc1ccc(cc1Cl)N 34a_100000744943_100009813279 [0,2,0,0,0,0|2,0,0]=4 9915 B14R1.4464 CC(=O)OCOc1ccc(cc1F)Br 34a_100000185481_100009813279 [0,2,0,0,0,0|2,0,0]=4 9916 B14R1.4464 CC(=O)OCOc1ccc(cc1F)C 34a_100011216688_100009813279 [0,2,0,0,0,0|2,0,0]=4 9917 B14R1.4464 CC(=O)OCOc1ccc(cc1F)Cl 34a_100000230166_100009813279 [0,2,0,0,0,0|2,0,0]=4 9918 B14R1.4464 CC(=O)OCOc1ccc(cc1F)F 34a_100000230127_100009813279 [0,2,0,0,0,0|2,0,0]=4 9919 B14R1.4464 CC(=O)OCOc1ccc(cc1F)I 34a_100011356965_100009813279 [0,2,0,0,0,0|2,0,0]=4 9920 B14R1.4464 CC(=O)OCOc1ccc(cc1F)N 34a_100011220035_100009813279 [0,2,0,0,0,0|2,0,0]=4 9921 B14R1.4464 CC(=O)OCOc1ccc(cc1I)Br 34a_100012355227_100009813279 [0,2,0,0,0,0|2,0,0]=4 9922 B14R1.4464 CC(=O)OCOc1ccc(cc1I)C 34a_100000765521_100009813279 [0,2,0,0,0,0|2,0,0]=4 9923 B14R1.4464 CC(=O)OCOc1ccc(cc1I)Cl 34a_100011356953_100009813279 [0,2,0,0,0,0|2,0,0]=4 9924 B14R1.4464 CC(=O)OCOc1ccc(cc1I)F 34a_100012355409_100009813279 [0,2,0,0,0,0|2,0,0]=4 9925 B14R1.4464 CC(=O)OCOc1ccc(cc1N)Br 34a_100000752626_100009813279 [0,2,0,0,0,0|2,0,0]=4 9926 B14R1.4464 CC(=O)OCOc1ccc(cc1N)C 34a_100011215204_100009813279 [0,2,0,0,0,0|2,0,0]=4 9927 B14R1.4464 CC(=O)OCOc1ccc(cc1N)Cl 34a_100000210500_100009813279 [0,2,0,0,0,0|2,0,0]=4 9928 B14R1.4464 CC(=O)OCOc1ccc(cc1N)F 34a_100000759472_100009813279 [0,2,0,0,0,0|2,0,0]=4 9929 B14R1.4464 CC(=O)OCOc1ccc(cc1N)I 34a_100000753495_100009813279 [0,2,0,0,0,0|2,0,0]=4 9930 B14R1.4464 CC(=O)OCOc1ccc(cc1N)N 34a_100000725306_100009813279 [0,2,0,0,0,0|2,0,0]=4 9931 B14R1.4464 CC(O)CCOc1ccc(cc1Br)Br 34a_100000188717_100012276601 [0,2,0,0,0,0|1,0,1]=4 9932 B14R1.4464 CC(O)CCOc1ccc(cc1Br)Br 7a_100000188717_100012276601 [0,2,0,0,0,0|1,0,1]=4 9933 B14R1.4464 CC(O)CCOc1ccc(cc1Br)Cl 34a_100000211998_100012276601 [0,2,0,0,0,0|1,0,1]=4 9934 B14R1.4464 CC(O)CCOc1ccc(cc1Br)Cl 7a_100000211998_100012276601 [0,2,0,0,0,0|1,0,1]=4 9935 B14R1.4464 CC(O)CCOc1ccc(cc1Br)F 34a_100000211999_100012276601 [0,2,0,0,0,0|1,0,1]=4 9936 B14R1.4464 CC(O)CCOc1ccc(cc1Br)F 7a_100000211999_100012276601 [0,2,0,0,0,0|1,0,1]=4 9937 B14R1.4464 CC(O)CCOc1ccc(cc1Br)I 34a_100012361655_100012276601 [0,2,0,0,0,0|1,0,1]=4 9938 B14R1.4464 CC(O)CCOc1ccc(cc1Br)I 7a_100012361655_100012276601 [0,2,0,0,0,0|1,0,1]=4 9939 B14R1.4464 CC(O)CCOc1ccc(cc1Br)N 34a_100011534360_100012276601 [0,2,0,0,0,0|1,0,1]=4 9940 B14R1.4464 CC(O)CCOc1ccc(cc1Br)N 7a_100011534360_100012276601 [0,2,0,0,0,0|1,0,1]=4 9941 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)Br 34a_100000186472_100012276601 [0,2,0,0,0,0|1,0,1]=4 9942 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)Br 7a_100000186472_100012276601 [0,2,0,0,0,0|1,0,1]=4 9943 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)Cl 34a_100015191787_100012276601 [0,2,0,0,0,0|1,0,1]=4 9944 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)Cl 7a_100015191787_100012276601 [0,2,0,0,0,0|1,0,1]=4 9945 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)F 34a_100000212004_100012276601 [0,2,0,0,0,0|1,0,1]=4 9946 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)F 7a_100000212004_100012276601 [0,2,0,0,0,0|1,0,1]=4 9947 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)I 34a_100012360047_100012276601 [0,2,0,0,0,0|1,0,1]=4 9948 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)I 7a_100012360047_100012276601 [0,2,0,0,0,0|1,0,1]=4 9949 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)N 34a_100000744943_100012276601 [0,2,0,0,0,0|1,0,1]=4 9950 B14R1.4464 CC(O)CCOc1ccc(cc1Cl)N 7a_100000744943_100012276601 [0,2,0,0,0,0|1,0,1]=4 9951 B14R1.4464 CC(O)CCOc1ccc(cc1F)Br 34a_100000185481_100012276601 [0,2,0,0,0,0|1,0,1]=4 9952 B14R1.4464 CC(O)CCOc1ccc(cc1F)Br 7a_100000185481_100012276601 [0,2,0,0,0,0|1,0,1]=4 9953 B14R1.4464 CC(O)CCOc1ccc(cc1F)Cl 34a_100000230166_100012276601 [0,2,0,0,0,0|1,0,1]=4 9954 B14R1.4464 CC(O)CCOc1ccc(cc1F)Cl 7a_100000230166_100012276601 [0,2,0,0,0,0|1,0,1]=4 9955 B14R1.4464 CC(O)CCOc1ccc(cc1F)F 34a_100000230127_100012276601 [0,2,0,0,0,0|1,0,1]=4 9956 B14R1.4464 CC(O)CCOc1ccc(cc1F)F 7a_100000230127_100012276601 [0,2,0,0,0,0|1,0,1]=4 9957 B14R1.4464 CC(O)CCOc1ccc(cc1F)I 34a_100011356965_100012276601 [0,2,0,0,0,0|1,0,1]=4 9958 B14R1.4464 CC(O)CCOc1ccc(cc1F)I 7a_100011356965_100012276601 [0,2,0,0,0,0|1,0,1]=4 9959 B14R1.4464 CC(O)CCOc1ccc(cc1F)N 34a_100011220035_100012276601 [0,2,0,0,0,0|1,0,1]=4 9960 B14R1.4464 CC(O)CCOc1ccc(cc1F)N 7a_100011220035_100012276601 [0,2,0,0,0,0|1,0,1]=4 9961 B14R1.4464 CC(O)CCOc1ccc(cc1I)Br 34a_100012355227_100012276601 [0,2,0,0,0,0|1,0,1]=4 9962 B14R1.4464 CC(O)CCOc1ccc(cc1I)Br 7a_100012355227_100012276601 [0,2,0,0,0,0|1,0,1]=4 9963 B14R1.4464 CC(O)CCOc1ccc(cc1I)Cl 34a_100011356953_100012276601 [0,2,0,0,0,0|1,0,1]=4 9964 B14R1.4464 CC(O)CCOc1ccc(cc1I)Cl 7a_100011356953_100012276601 [0,2,0,0,0,0|1,0,1]=4 9965 B14R1.4464 CC(O)CCOc1ccc(cc1I)F 34a_100012355409_100012276601 [0,2,0,0,0,0|1,0,1]=4 9966 B14R1.4464 CC(O)CCOc1ccc(cc1I)F 7a_100012355409_100012276601 [0,2,0,0,0,0|1,0,1]=4 9967 B14R1.4464 CC(O)CCOc1ccc(cc1I)I 7a_100010001573_100012276601 [0,2,0,0,0,0|1,0,1]=4 9968 B14R1.4464 CC(O)CCOc1ccc(cc1N)Br 34a_100000752626_100012276601 [0,2,0,0,0,0|1,0,1]=4 9969 B14R1.4464 CC(O)CCOc1ccc(cc1N)Br 7a_100000752626_100012276601 [0,2,0,0,0,0|1,0,1]=4 9970 B14R1.4464 CC(O)CCOc1ccc(cc1N)Cl 34a_100000210500_100012276601 [0,2,0,0,0,0|1,0,1]=4 9971 B14R1.4464 CC(O)CCOc1ccc(cc1N)Cl 7a_100000210500_100012276601 [0,2,0,0,0,0|1,0,1]=4 9972 B14R1.4464 CC(O)CCOc1ccc(cc1N)F 34a_100000759472_100012276601 [0,2,0,0,0,0|1,0,1]=4 9973 B14R1.4464 CC(O)CCOc1ccc(cc1N)F 7a_100000759472_100012276601 [0,2,0,0,0,0|1,0,1]=4 9974 B14R1.4464 CC(O)CCOc1ccc(cc1N)I 34a_100000753495_100012276601 [0,2,0,0,0,0|1,0,1]=4 9975 B14R1.4464 CC(O)CCOc1ccc(cc1N)I 7a_100000753495_100012276601 [0,2,0,0,0,0|1,0,1]=4 9976 B14R1.4464 CC(O)CCOc1ccc(cc1N)N 34a_100000725306_100012276601 [0,2,0,0,0,0|1,0,1]=4 9977 B14R1.4464 Cc1cc(=O)c(co1)OCCC(=O)N 34a_100000081520_100000731001 [0,2,0,0,0,0|2,0,0]=4 9978 B14R1.4464 Cc1cc(c(cn1)OCCC(=O)N)Br 34a_100009843476_100000731001 [0,2,0,0,0,0|2,0,0]=4 9979 B14R1.4464 Cc1cc(c(cn1)OCCC(=O)N)Br 7a_100009843476_100000744528 [0,2,0,0,0,0|2,0,0]=4 9980 B14R1.4464 Cc1cc(c(cn1)OCCC(=O)N)C 34a_200000068632_100000731001 [0,2,0,0,0,0|2,0,0]=4 9981 B14R1.4464 Cc1cc(c(cn1)OCCC(=O)N)C 7a_200000068632_100000744528 [0,2,0,0,0,0|2,0,0]=4 9982 B14R1.4464 Cc1cc(ccc1CNCC(=O)O)Br 269956a_100016091260_100000708836 [0,2,0,0,0,0|2,0,0]=4 9983 B14R1.4464 Cc1cc(ccc1CNCC(=O)O)Cl 269956a_100016091260_100012361307 [0,2,0,0,0,0|2,0,0]=4 9984 B14R1.4464 Cc1cc(ccc1CNCC(=O)O)F 269956a_100016091260_100000700533 [0,2,0,0,0,0|2,0,0]=4 9985 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)Br 34a_100000211769_100000731001 [0,2,0,0,0,0|2,0,0]=4 9986 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)Br 7a_100000211769_100000744528 [0,2,0,0,0,0|2,0,0]=4 9987 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)Cl 34a_100000210418_100000731001 [0,2,0,0,0,0|2,0,0]=4 9988 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)Cl 7a_100000210418_100000744528 [0,2,0,0,0,0|2,0,0]=4 9989 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)F 34a_100000211637_100000731001 [0,2,0,0,0,0|2,0,0]=4 9990 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)F 7a_100000211637_100000744528 [0,2,0,0,0,0|2,0,0]=4 9991 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)I 34a_100000184554_100000731001 [0,2,0,0,0,0|2,0,0]=4 9992 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)I 7a_100000184554_100000744528 [0,2,0,0,0,0|2,0,0]=4 9993 B14R1.4464 Cc1cc(ccc1NCCC(=O)N)O 34a_100000756630_100000731001 [0,2,0,0,0,0|2,0,0]=4 9994 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)Br 34a_100000186361_100000731001 [0,2,0,0,0,0|1,0,0]=3 9995 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)Br 7a_100000186361_100000744528 [0,2,0,0,0,0|1,0,0]=3 9996 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)Cl 34a_100000211091_100000731001 [0,2,0,0,0,0|1,0,0]=3 9997 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)Cl 7a_100000211091_100000744528 [0,2,0,0,0,0|1,0,0]=3 9998 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)F 34a_100000764316_100000731001 [0,2,0,0,0,0|1,0,0]=3 9999 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)F 7a_100000764316_100000744528 [0,2,0,0,0,0|1,0,0]=3 10000 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)I 34a_100011218673_100000731001 [0,2,0,0,0,0|1,0,0]=3 10001 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)I 7a_100011218673_100000744528 [0,2,0,0,0,0|1,0,0]=3 10002 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)N 34a_100011218179_100000731001 [0,2,0,0,0,0|1,0,0]=3 10003 B14R1.4464 Cc1cc(ccc1OCCC(=O)N)N 7a_100011218179_100000744528 [0,2,0,0,0,0|1,0,0]=3 10004 B14R1.4464 Cc1cc(ccc1OCCC(C)O)Br 34a_100000186361_100012276601 [0,2,0,0,0,0|1,0,1]=4 10005 B14R1.4464 Cc1cc(ccc1OCCC(C)O)Br 7a_100000186361_100012276601 [0,2,0,0,0,0|1,0,1]=4 10006 B14R1.4464 Cc1cc(ccc1OCCC(C)O)Cl 34a_100000211091_100012276601 [0,2,0,0,0,0|1,0,1]=4 10007 B14R1.4464 Cc1cc(ccc1OCCC(C)O)Cl 7a_100000211091_100012276601 [0,2,0,0,0,0|1,0,1]=4 10008 B14R1.4464 Cc1cc(ccc1OCCC(C)O)F 34a_100000764316_100012276601 [0,2,0,0,0,0|1,0,1]=4 10009 B14R1.4464 Cc1cc(ccc1OCCC(C)O)F 7a_100000764316_100012276601 [0,2,0,0,0,0|1,0,1]=4 10010 B14R1.4464 Cc1cc(ccc1OCCC(C)O)I 34a_100011218673_100012276601 [0,2,0,0,0,0|1,0,1]=4 10011 B14R1.4464 Cc1cc(ccc1OCCC(C)O)I 7a_100011218673_100012276601 [0,2,0,0,0,0|1,0,1]=4 10012 B14R1.4464 Cc1cc(ccc1OCCC(C)O)N 34a_100011218179_100012276601 [0,2,0,0,0,0|1,0,1]=4 10013 B14R1.4464 Cc1cc(ccc1OCCC(C)O)N 7a_100011218179_100012276601 [0,2,0,0,0,0|1,0,1]=4 10014 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)Br 62a_100000701812_100000744528 [0,2,0,0,0,0|1,1,0]=4 10015 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)Br 62a_100000744528_100000701812 [0,2,0,0,0,0|1,1,0]=4 10016 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)Cl 62a_100000744528_100011219607 [0,2,0,0,0,0|1,1,0]=4 10017 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)Cl 62a_100011219607_100000744528 [0,2,0,0,0,0|1,1,0]=4 10018 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)F 62a_100000744528_100011205405 [0,2,0,0,0,0|1,1,0]=4 10019 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)F 62a_100011205405_100000744528 [0,2,0,0,0,0|1,1,0]=4 10020 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)N 62a_100000210723_100000744528 [0,2,0,0,0,0|1,1,0]=4 10021 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)N 62a_100000744528_100000210723 [0,2,0,0,0,0|1,1,0]=4 10022 B14R1.4464 Cc1cc(ccc1SCCC(=O)N)O 62a_100000744528_100000690111 [0,2,0,0,0,0|1,1,0]=4 10023 B14R1.4464 Cc1cc(cnc1OCCC(=O)N)Br 34a_100000685391_100000731001 [0,2,0,0,0,0|2,0,0]=4 10024 B14R1.4464 Cc1cc(ncc1OCCC(=O)N)Cl 34a_100000692680_100000731001 [0,2,0,0,0,0|2,0,0]=4 10025 B14R1.4464 Cc1cc(ncc1OCCC(=O)N)Cl 7a_100000692680_100000744528 [0,2,0,0,0,0|2,0,0]=4 10026 B14R1.4464 Cc1cc(ncc1OCCC(=O)N)F 34a_100009856773_100000731001 [0,2,0,0,0,0|2,0,0]=4 10027 B14R1.4464 Cc1cc(ncc1OCCC(=O)N)F 7a_100009856773_100000744528 [0,2,0,0,0,0|2,0,0]=4 10028 B14R1.4464 Cc1ccc(c(c1)Br)NCCC(=O)N 34a_100000210942_100000731001 [0,2,0,0,0,0|2,0,0]=4 10029 B14R1.4464 Cc1ccc(c(c1)Br)OCCC(=O)N 34a_100000210800_100000731001 [0,2,0,0,0,0|1,0,0]=3 10030 B14R1.4464 Cc1ccc(c(c1)Br)OCCC(=O)N 7a_100000210800_100000744528 [0,2,0,0,0,0|1,0,0]=3 10031 B14R1.4464 Cc1ccc(c(c1)Br)OCCC(C)O 34a_100000210800_100012276601 [0,2,0,0,0,0|1,0,1]=4 10032 B14R1.4464 Cc1ccc(c(c1)Br)OCCC(C)O 7a_100000210800_100012276601 [0,2,0,0,0,0|1,0,1]=4 10033 B14R1.4464 Cc1ccc(c(c1)Br)SCCC(=O)N 62a_100000744528_100009813563 [0,2,0,0,0,0|1,1,0]=4 10034 B14R1.4464 Cc1ccc(c(c1)Br)SCCC(=O)N 62a_100009813563_100000744528 [0,2,0,0,0,0|1,1,0]=4 10035 B14R1.4464 Cc1ccc(c(c1)C)CNCC(=O)O 269956a_100016091260_100011219618 [0,2,0,0,0,0|2,0,0]=4 10036 B14R1.4464 Cc1ccc(c(c1)C)NCCC(=O)N 34a_100000736561_100000731001 [0,2,0,0,0,0|2,0,0]=4 10037 B14R1.4464 Cc1ccc(c(c1)C)NCCC(=O)N 7a_100000736561_100000744528 [0,2,0,0,0,0|2,0,0]=4 10038 B14R1.4464 Cc1ccc(c(c1)C)OCCC(=O)N 34a_100000211776_100000731001 [0,2,0,0,0,0|1,0,0]=3 10039 B14R1.4464 Cc1ccc(c(c1)C)OCCC(=O)N 7a_100000211776_100000744528 [0,2,0,0,0,0|1,0,0]=3 10040 B14R1.4464 Cc1ccc(c(c1)C)OCCC(=O)[13CH3] 1458a_100000737123_200025704644 [0,2,0,0,0,0|1,0,0]=3 10041 B14R1.4464 Cc1ccc(c(c1)C)OCCC(C)O 34a_100000211776_100012276601 [0,2,0,0,0,0|1,0,1]=4 10042 B14R1.4464 Cc1ccc(c(c1)C)OCCC(C)O 7a_100000211776_100012276601 [0,2,0,0,0,0|1,0,1]=4 10043 B14R1.4464 Cc1ccc(c(c1)C)SCCC(=O)N 62a_100000744528_100011217332 [0,2,0,0,0,0|1,1,0]=4 10044 B14R1.4464 Cc1ccc(c(c1)C)SCCC(=O)N 62a_100011217332_100000744528 [0,2,0,0,0,0|1,1,0]=4 10045 B14R1.4464 Cc1ccc(c(c1)Cl)CNCC(=O)O 269956a_100016091260_100012349684 [0,2,0,0,0,0|2,0,0]=4 10046 B14R1.4464 Cc1ccc(c(c1)Cl)NCCC(=O)N 34a_100000210522_100000731001 [0,2,0,0,0,0|2,0,0]=4 10047 B14R1.4464 Cc1ccc(c(c1)Cl)OCCC(=O)N 34a_100000749699_100000731001 [0,2,0,0,0,0|1,0,0]=3 10048 B14R1.4464 Cc1ccc(c(c1)Cl)OCCC(=O)N 7a_100000749699_100000744528 [0,2,0,0,0,0|1,0,0]=3 10049 B14R1.4464 Cc1ccc(c(c1)Cl)OCCC(C)O 34a_100000749699_100012276601 [0,2,0,0,0,0|1,0,1]=4 10050 B14R1.4464 Cc1ccc(c(c1)Cl)OCCC(C)O 7a_100000749699_100012276601 [0,2,0,0,0,0|1,0,1]=4 10051 B14R1.4464 Cc1ccc(c(c1)Cl)SCCC(=O)N 62a_100000744528_100011263221 [0,2,0,0,0,0|1,1,0]=4 10052 B14R1.4464 Cc1ccc(c(c1)Cl)SCCC(=O)N 62a_100011263221_100000744528 [0,2,0,0,0,0|1,1,0]=4 10053 B14R1.4464 Cc1ccc(c(c1)F)CNCC(=O)O 269956a_100016091260_100012002367 [0,2,0,0,0,0|2,0,0]=4 10054 B14R1.4464 Cc1ccc(c(c1)F)NCCC(=O)N 34a_100000211023_100000731001 [0,2,0,0,0,0|2,0,0]=4 10055 B14R1.4464 Cc1ccc(c(c1)F)OCCC(=O)N 34a_100011216688_100000731001 [0,2,0,0,0,0|1,0,0]=3 10056 B14R1.4464 Cc1ccc(c(c1)F)OCCC(=O)N 7a_100011216688_100000744528 [0,2,0,0,0,0|1,0,0]=3 10057 B14R1.4464 Cc1ccc(c(c1)F)OCCC(C)O 34a_100011216688_100012276601 [0,2,0,0,0,0|1,0,1]=4 10058 B14R1.4464 Cc1ccc(c(c1)F)OCCC(C)O 7a_100011216688_100012276601 [0,2,0,0,0,0|1,0,1]=4 10059 B14R1.4464 Cc1ccc(c(c1)F)SCCC(=O)N 62a_100000744528_100011216119 [0,2,0,0,0,0|1,1,0]=4 10060 B14R1.4464 Cc1ccc(c(c1)F)SCCC(=O)N 62a_100011216119_100000744528 [0,2,0,0,0,0|1,1,0]=4 10061 B14R1.4464 Cc1ccc(c(c1)I)NCCC(=O)N 34a_100011356834_100000731001 [0,2,0,0,0,0|2,0,0]=4 10062 B14R1.4464 Cc1ccc(c(c1)I)OCCC(=O)N 34a_100000765521_100000731001 [0,2,0,0,0,0|1,0,0]=3 10063 B14R1.4464 Cc1ccc(c(c1)I)OCCC(=O)N 7a_100000765521_100000744528 [0,2,0,0,0,0|1,0,0]=3 10064 B14R1.4464 Cc1ccc(c(c1)I)OCCC(C)O 34a_100000765521_100012276601 [0,2,0,0,0,0|1,0,1]=4 10065 B14R1.4464 Cc1ccc(c(c1)I)OCCC(C)O 7a_100000765521_100012276601 [0,2,0,0,0,0|1,0,1]=4 10066 B14R1.4464 Cc1ccc(c(c1)N)OCCC(=O)N 34a_100011215204_100000731001 [0,2,0,0,0,0|1,0,0]=3 10067 B14R1.4464 Cc1ccc(c(c1)N)OCCC(=O)N 7a_100011215204_100000744528 [0,2,0,0,0,0|1,0,0]=3 10068 B14R1.4464 Cc1ccc(c(c1)N)OCCC(C)O 34a_100011215204_100012276601 [0,2,0,0,0,0|1,0,1]=4 10069 B14R1.4464 Cc1ccc(c(c1)N)OCCC(C)O 7a_100011215204_100012276601 [0,2,0,0,0,0|1,0,1]=4 10070 B14R1.4464 Cc1ccc(c(c1)N)SCCC(=O)N 62a_100000744528_100011216686 [0,2,0,0,0,0|1,1,0]=4 10071 B14R1.4464 Cc1ccc(c(c1)N)SCCC(=O)N 62a_100011216686_100000744528 [0,2,0,0,0,0|1,1,0]=4 10072 B14R1.4464 Cc1ccc(c(c1)O)NCCC(=O)N 34a_100000211527_100000731001 [0,2,0,0,0,0|2,0,0]=4 10073 B14R1.4464 Cc1ccc(c(c1)O)SCCC(=O)N 62a_100000744528_100012002257 [0,2,0,0,0,0|1,1,0]=4 10074 B14R1.4464 Cc1ccc(c(c1)O)SCCC(=O)N 62a_100012002257_100000744528 [0,2,0,0,0,0|1,1,0]=4 10075 B14R1.4464 Cc1ccc(c(n1)Br)OCCC(=O)N 34a_100000702858_100000731001 [0,2,0,0,0,0|2,0,0]=4 10076 B14R1.4464 Cc1ccc(c(n1)Br)OCCC(=O)N 7a_100000702858_100000744528 [0,2,0,0,0,0|2,0,0]=4 10077 B14R1.4464 Cc1ccc(c(n1)C)OCCC(=O)N 34a_100011218912_100000731001 [0,2,0,0,0,0|2,0,0]=4 10078 B14R1.4464 Cc1ccc(c(n1)C)OCCC(=O)N 7a_100011218912_100000744528 [0,2,0,0,0,0|2,0,0]=4 10079 B14R1.4464 Cc1ccc(c(n1)Cl)OCCC(=O)N 34a_100000086286_100000731001 [0,2,0,0,0,0|2,0,0]=4 10080 B14R1.4464 Cc1ccc(c(n1)Cl)OCCC(=O)N 7a_100000086286_100000744528 [0,2,0,0,0,0|2,0,0]=4 10081 B14R1.4464 Cc1ccc(c(n1)F)OCCC(=O)N 34a_100000079963_100000731001 [0,2,0,0,0,0|2,0,0]=4 10082 B14R1.4464 Cc1ccc(c(n1)F)OCCC(=O)N 7a_100000079963_100000744528 [0,2,0,0,0,0|2,0,0]=4 10083 B14R1.4464 Cc1ccc(c(n1)I)OCCC(=O)N 34a_100000023897_100000731001 [0,2,0,0,0,0|2,0,0]=4 10084 B14R1.4464 Cc1ccc(c(n1)I)OCCC(=O)N 7a_100000023897_100000744528 [0,2,0,0,0,0|2,0,0]=4 10085 B14R1.4464 Cc1ccc(c(n1)N)OCCC(=O)N 34a_100000694039_100000731001 [0,2,0,0,0,0|2,0,0]=4 10086 B14R1.4464 Cc1ccc(c(n1)N)OCCC(=O)N 7a_100000694039_100000744528 [0,2,0,0,0,0|2,0,0]=4 10087 B14R1.4464 Cc1cnc(c(c1)Br)OCCC(=O)N 34a_100000719714_100000731001 [0,2,0,0,0,0|2,0,0]=4 10088 B14R1.4464 Cc1cnc(c(c1)N)OCCC(=O)N 34a_100012000488_100000731001 [0,2,0,0,0,0|2,0,0]=4 10089 B14R1.4464 Cc1nc(ccc1OCCC(=O)N)Br 34a_100012002022_100000731001 [0,2,0,0,0,0|2,0,0]=4 10090 B14R1.4464 Cc1nc(ccc1OCCC(=O)N)Br 7a_100012002022_100000744528 [0,2,0,0,0,0|2,0,0]=4 10091 B14R1.4464 Cc1nc(ccc1OCCC(=O)N)Cl 34a_100012184626_100000731001 [0,2,0,0,0,0|2,0,0]=4 10092 B14R1.4464 Cc1nc(ccc1OCCC(=O)N)Cl 7a_100012184626_100000744528 [0,2,0,0,0,0|2,0,0]=4 10093 B14R1.4464 Cc1nc(ccc1OCCC(=O)N)F 34a_100009881036_100000731001 [0,2,0,0,0,0|2,0,0]=4 10094 B14R1.4464 Cc1nc(ccc1OCCC(=O)N)F 7a_100009881036_100000744528 [0,2,0,0,0,0|2,0,0]=4 10095 B14R1.4464 Cc1nc(ccc1OCCC(=O)N)I 34a_100010233687_100000731001 [0,2,0,0,0,0|2,0,0]=4 10096 B14R1.4464 Cc1nc(ccc1OCCC(=O)N)I 7a_100010233687_100000744528 [0,2,0,0,0,0|2,0,0]=4 10097 B14R1.4464 NC(=O)CCNc1ccc(cc1Br)Br 34a_100000211012_100000731001 [0,2,0,0,0,0|2,0,0]=4 10098 B14R1.4464 NC(=O)CCNc1ccc(cc1Br)Cl 34a_100000752454_100000731001 [0,2,0,0,0,0|2,0,0]=4 10099 B14R1.4464 NC(=O)CCNc1ccc(cc1Br)F 34a_100000738039_100000731001 [0,2,0,0,0,0|2,0,0]=4 10100 B14R1.4464 NC(=O)CCNc1ccc(cc1Br)O 34a_100012001276_100000731001 [0,2,0,0,0,0|2,0,0]=4 10101 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)Br 34a_100000211467_100000731001 [0,2,0,0,0,0|2,0,0]=4 10102 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000731001 [0,2,0,0,0,0|2,0,0]=4 10103 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)F 34a_100000212003_100000731001 [0,2,0,0,0,0|2,0,0]=4 10104 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)I 34a_100011218065_100000731001 [0,2,0,0,0,0|2,0,0]=4 10105 B14R1.4464 NC(=O)CCNc1ccc(cc1Cl)O 34a_100011215599_100000731001 [0,2,0,0,0,0|2,0,0]=4 10106 B14R1.4464 NC(=O)CCNc1ccc(cc1F)Br 34a_100000210722_100000731001 [0,2,0,0,0,0|2,0,0]=4 10107 B14R1.4464 NC(=O)CCNc1ccc(cc1F)Cl 34a_100000211020_100000731001 [0,2,0,0,0,0|2,0,0]=4 10108 B14R1.4464 NC(=O)CCNc1ccc(cc1F)F 34a_100000210720_100000731001 [0,2,0,0,0,0|2,0,0]=4 10109 B14R1.4464 NC(=O)CCNc1ccc(cc1F)I 34a_100011215594_100000731001 [0,2,0,0,0,0|2,0,0]=4 10110 B14R1.4464 NC(=O)CCNc1ccc(cc1F)O 34a_100000759473_100000731001 [0,2,0,0,0,0|2,0,0]=4 10111 B14R1.4464 NC(=O)CCNc1ccc(cc1I)Br 34a_100000187925_100000731001 [0,2,0,0,0,0|2,0,0]=4 10112 B14R1.4464 NC(=O)CCNc1ccc(cc1I)Cl 34a_100000761889_100000731001 [0,2,0,0,0,0|2,0,0]=4 10113 B14R1.4464 NC(=O)CCNc1ccc(cc1I)F 34a_100000760547_100000731001 [0,2,0,0,0,0|2,0,0]=4 10114 B14R1.4464 NC(=O)CCNc1ccc(cc1I)O 34a_100010084370_100000731001 [0,2,0,0,0,0|2,0,0]=4 10115 B14R1.4464 NC(=O)CCNc1ccc(cc1O)Br 34a_100000739049_100000731001 [0,2,0,0,0,0|2,0,0]=4 10116 B14R1.4464 NC(=O)CCNc1ccc(cc1O)Cl 34a_100000185728_100000731001 [0,2,0,0,0,0|2,0,0]=4 10117 B14R1.4464 NC(=O)CCNc1ccc(cc1O)F 34a_100000753323_100000731001 [0,2,0,0,0,0|2,0,0]=4 10118 B14R1.4464 NC(=O)CCNc1ccc(cc1O)O 34a_100000106777_100000731001 [0,2,0,0,0,0|2,0,0]=4 10119 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)Br 34a_100000188717_100000731001 [0,2,0,0,0,0|1,0,0]=3 10120 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)Br 7a_100000188717_100000744528 [0,2,0,0,0,0|1,0,0]=3 10121 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)Cl 34a_100000211998_100000731001 [0,2,0,0,0,0|1,0,0]=3 10122 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)Cl 7a_100000211998_100000744528 [0,2,0,0,0,0|1,0,0]=3 10123 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)F 34a_100000211999_100000731001 [0,2,0,0,0,0|1,0,0]=3 10124 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)F 7a_100000211999_100000744528 [0,2,0,0,0,0|1,0,0]=3 10125 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)I 34a_100012361655_100000731001 [0,2,0,0,0,0|1,0,0]=3 10126 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)I 7a_100012361655_100000744528 [0,2,0,0,0,0|1,0,0]=3 10127 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)N 34a_100011534360_100000731001 [0,2,0,0,0,0|1,0,0]=3 10128 B14R1.4464 NC(=O)CCOc1ccc(cc1Br)N 7a_100011534360_100000744528 [0,2,0,0,0,0|1,0,0]=3 10129 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)Br 34a_100000186472_100000731001 [0,2,0,0,0,0|1,0,0]=3 10130 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)Br 7a_100000186472_100000744528 [0,2,0,0,0,0|1,0,0]=3 10131 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000731001 [0,2,0,0,0,0|1,0,0]=3 10132 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000744528 [0,2,0,0,0,0|1,0,0]=3 10133 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)F 34a_100000212004_100000731001 [0,2,0,0,0,0|1,0,0]=3 10134 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)F 7a_100000212004_100000744528 [0,2,0,0,0,0|1,0,0]=3 10135 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)I 34a_100012360047_100000731001 [0,2,0,0,0,0|1,0,0]=3 10136 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)I 7a_100012360047_100000744528 [0,2,0,0,0,0|1,0,0]=3 10137 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)N 34a_100000744943_100000731001 [0,2,0,0,0,0|1,0,0]=3 10138 B14R1.4464 NC(=O)CCOc1ccc(cc1Cl)N 7a_100000744943_100000744528 [0,2,0,0,0,0|1,0,0]=3 10139 B14R1.4464 NC(=O)CCOc1ccc(cc1F)Br 34a_100000185481_100000731001 [0,2,0,0,0,0|1,0,0]=3 10140 B14R1.4464 NC(=O)CCOc1ccc(cc1F)Br 7a_100000185481_100000744528 [0,2,0,0,0,0|1,0,0]=3 10141 B14R1.4464 NC(=O)CCOc1ccc(cc1F)Cl 34a_100000230166_100000731001 [0,2,0,0,0,0|1,0,0]=3 10142 B14R1.4464 NC(=O)CCOc1ccc(cc1F)Cl 7a_100000230166_100000744528 [0,2,0,0,0,0|1,0,0]=3 10143 B14R1.4464 NC(=O)CCOc1ccc(cc1F)F 34a_100000230127_100000731001 [0,2,0,0,0,0|1,0,0]=3 10144 B14R1.4464 NC(=O)CCOc1ccc(cc1F)F 7a_100000230127_100000744528 [0,2,0,0,0,0|1,0,0]=3 10145 B14R1.4464 NC(=O)CCOc1ccc(cc1F)I 34a_100011356965_100000731001 [0,2,0,0,0,0|1,0,0]=3 10146 B14R1.4464 NC(=O)CCOc1ccc(cc1F)I 7a_100011356965_100000744528 [0,2,0,0,0,0|1,0,0]=3 10147 B14R1.4464 NC(=O)CCOc1ccc(cc1F)N 34a_100011220035_100000731001 [0,2,0,0,0,0|1,0,0]=3 10148 B14R1.4464 NC(=O)CCOc1ccc(cc1F)N 7a_100011220035_100000744528 [0,2,0,0,0,0|1,0,0]=3 10149 B14R1.4464 NC(=O)CCOc1ccc(cc1I)Br 34a_100012355227_100000731001 [0,2,0,0,0,0|1,0,0]=3 10150 B14R1.4464 NC(=O)CCOc1ccc(cc1I)Br 7a_100012355227_100000744528 [0,2,0,0,0,0|1,0,0]=3 10151 B14R1.4464 NC(=O)CCOc1ccc(cc1I)Cl 34a_100011356953_100000731001 [0,2,0,0,0,0|1,0,0]=3 10152 B14R1.4464 NC(=O)CCOc1ccc(cc1I)Cl 7a_100011356953_100000744528 [0,2,0,0,0,0|1,0,0]=3 10153 B14R1.4464 NC(=O)CCOc1ccc(cc1I)F 34a_100012355409_100000731001 [0,2,0,0,0,0|1,0,0]=3 10154 B14R1.4464 NC(=O)CCOc1ccc(cc1I)F 7a_100012355409_100000744528 [0,2,0,0,0,0|1,0,0]=3 10155 B14R1.4464 NC(=O)CCOc1ccc(cc1I)I 7a_100010001573_100000744528 [0,2,0,0,0,0|1,0,0]=3 10156 B14R1.4464 NC(=O)CCOc1ccc(cc1N)Br 34a_100000752626_100000731001 [0,2,0,0,0,0|1,0,0]=3 10157 B14R1.4464 NC(=O)CCOc1ccc(cc1N)Br 7a_100000752626_100000744528 [0,2,0,0,0,0|1,0,0]=3 10158 B14R1.4464 NC(=O)CCOc1ccc(cc1N)Cl 34a_100000210500_100000731001 [0,2,0,0,0,0|1,0,0]=3 10159 B14R1.4464 NC(=O)CCOc1ccc(cc1N)Cl 7a_100000210500_100000744528 [0,2,0,0,0,0|1,0,0]=3 10160 B14R1.4464 NC(=O)CCOc1ccc(cc1N)F 34a_100000759472_100000731001 [0,2,0,0,0,0|1,0,0]=3 10161 B14R1.4464 NC(=O)CCOc1ccc(cc1N)F 7a_100000759472_100000744528 [0,2,0,0,0,0|1,0,0]=3 10162 B14R1.4464 NC(=O)CCOc1ccc(cc1N)I 34a_100000753495_100000731001 [0,2,0,0,0,0|1,0,0]=3 10163 B14R1.4464 NC(=O)CCOc1ccc(cc1N)I 7a_100000753495_100000744528 [0,2,0,0,0,0|1,0,0]=3 10164 B14R1.4464 NC(=O)CCOc1ccc(cc1N)N 34a_100000725306_100000731001 [0,2,0,0,0,0|1,0,0]=3 10165 B14R1.4464 NC(=O)CCOc1ccc(nc1Br)Br 34a_100009999766_100000731001 [0,2,0,0,0,0|2,0,0]=4 10166 B14R1.4464 NC(=O)CCOc1ccc(nc1Br)Br 7a_100009999766_100000744528 [0,2,0,0,0,0|2,0,0]=4 10167 B14R1.4464 NC(=O)CCOc1ccc(nc1Br)Cl 34a_100010219353_100000731001 [0,2,0,0,0,0|2,0,0]=4 10168 B14R1.4464 NC(=O)CCOc1ccc(nc1Br)Cl 7a_100010219353_100000744528 [0,2,0,0,0,0|2,0,0]=4 10169 B14R1.4464 NC(=O)CCOc1ccc(nc1Br)F 34a_100009887730_100000731001 [0,2,0,0,0,0|2,0,0]=4 10170 B14R1.4464 NC(=O)CCOc1ccc(nc1Br)F 7a_100009887730_100000744528 [0,2,0,0,0,0|2,0,0]=4 10171 B14R1.4464 NC(=O)CCOc1ccc(nc1Br)I 34a_100000725334_100000731001 [0,2,0,0,0,0|2,0,0]=4 10172 B14R1.4464 NC(=O)CCOc1ccc(nc1Br)I 7a_100000725334_100000744528 [0,2,0,0,0,0|2,0,0]=4 10173 B14R1.4464 NC(=O)CCOc1ccc(nc1Cl)Br 34a_100010246206_100000731001 [0,2,0,0,0,0|2,0,0]=4 10174 B14R1.4464 NC(=O)CCOc1ccc(nc1Cl)Br 7a_100010246206_100000744528 [0,2,0,0,0,0|2,0,0]=4 10175 B14R1.4464 NC(=O)CCOc1ccc(nc1Cl)Cl 34a_100000101165_100000731001 [0,2,0,0,0,0|2,0,0]=4 10176 B14R1.4464 NC(=O)CCOc1ccc(nc1Cl)Cl 7a_100000101165_100000744528 [0,2,0,0,0,0|2,0,0]=4 10177 B14R1.4464 NC(=O)CCOc1ccc(nc1Cl)I 34a_100000721234_100000731001 [0,2,0,0,0,0|2,0,0]=4 10178 B14R1.4464 NC(=O)CCOc1ccc(nc1Cl)I 7a_100000721234_100000744528 [0,2,0,0,0,0|2,0,0]=4 10179 B14R1.4464 NC(=O)CCOc1ccc(nc1F)Br 34a_100009819667_100000731001 [0,2,0,0,0,0|2,0,0]=4 10180 B14R1.4464 NC(=O)CCOc1ccc(nc1F)Br 7a_100009819667_100000744528 [0,2,0,0,0,0|2,0,0]=4 10181 B14R1.4464 NC(=O)CCOc1ccc(nc1F)Cl 34a_100009880201_100000731001 [0,2,0,0,0,0|2,0,0]=4 10182 B14R1.4464 NC(=O)CCOc1ccc(nc1F)Cl 7a_100009880201_100000744528 [0,2,0,0,0,0|2,0,0]=4 10183 B14R1.4464 NC(=O)CCOc1ccc(nc1F)F 34a_100000101184_100000731001 [0,2,0,0,0,0|2,0,0]=4 10184 B14R1.4464 NC(=O)CCOc1ccc(nc1F)F 7a_100000101184_100000744528 [0,2,0,0,0,0|2,0,0]=4 10185 B14R1.4464 NC(=O)CCOc1ccc(nc1I)Br 34a_100010253912_100000731001 [0,2,0,0,0,0|2,0,0]=4 10186 B14R1.4464 NC(=O)CCOc1ccc(nc1I)Br 7a_100010253912_100000744528 [0,2,0,0,0,0|2,0,0]=4 10187 B14R1.4464 NC(=O)CCOc1ccc(nc1I)Cl 34a_100000696390_100000731001 [0,2,0,0,0,0|2,0,0]=4 10188 B14R1.4464 NC(=O)CCOc1ccc(nc1I)Cl 7a_100000696390_100000744528 [0,2,0,0,0,0|2,0,0]=4 10189 B14R1.4464 NC(=O)CCOc1ccc(nc1I)F 34a_100010382442_100000731001 [0,2,0,0,0,0|2,0,0]=4 10190 B14R1.4464 NC(=O)CCOc1ccc(nc1I)F 7a_100010382442_100000744528 [0,2,0,0,0,0|2,0,0]=4 10191 B14R1.4464 NC(=O)CCOc1ccc(nc1N)Br 34a_100000685527_100000731001 [0,2,0,0,0,0|2,0,0]=4 10192 B14R1.4464 NC(=O)CCOc1ccc(nc1N)Br 7a_100000685527_100000744528 [0,2,0,0,0,0|2,0,0]=4 10193 B14R1.4464 NC(=O)CCOc1ccc(nc1N)Cl 34a_100000717809_100000731001 [0,2,0,0,0,0|2,0,0]=4 10194 B14R1.4464 NC(=O)CCOc1ccc(nc1N)Cl 7a_100000717809_100000744528 [0,2,0,0,0,0|2,0,0]=4 10195 B14R1.4464 NC(=O)CCOc1cnc(cc1Cl)Cl 34a_100009868576_100000731001 [0,2,0,0,0,0|2,0,0]=4 10196 B14R1.4464 NC(=O)CCOc1cnc(cc1Cl)Cl 7a_100009868576_100000744528 [0,2,0,0,0,0|2,0,0]=4 10197 B14R1.4464 NC(=O)CCOc1cnc(cc1F)F 34a_100009885687_100000731001 [0,2,0,0,0,0|2,0,0]=4 10198 B14R1.4464 NC(=O)CCOc1cnc(cc1F)F 7a_100009885687_100000744528 [0,2,0,0,0,0|2,0,0]=4 10199 B14R1.4464 NC(=O)CCOc1cnc(cc1I)Cl 34a_100000698892_100000731001 [0,2,0,0,0,0|2,0,0]=4 10200 B14R1.4464 NC(=O)CCOc1cnc(cc1I)Cl 7a_100000698892_100000744528 [0,2,0,0,0,0|2,0,0]=4 10201 B14R1.4464 NC(=O)CCOc1cnc(cc1N)Br 34a_100009819941_100000731001 [0,2,0,0,0,0|2,0,0]=4 10202 B14R1.4464 NC(=O)CCOc1cnc(cc1N)Br 7a_100009819941_100000744528 [0,2,0,0,0,0|2,0,0]=4 10203 B14R1.4464 NC(=O)CCOc1ncc(cc1Br)Br 34a_100000701035_100000731001 [0,2,0,0,0,0|2,0,0]=4 10204 B14R1.4464 NC(=O)CCOc1ncc(cc1Cl)Br 34a_100012339560_100000731001 [0,2,0,0,0,0|2,0,0]=4 10205 B14R1.4464 NC(=O)CCOc1ncc(cc1Cl)F 34a_100009847679_100000731001 [0,2,0,0,0,0|2,0,0]=4 10206 B14R1.4464 NC(=O)CCOc1ncc(cc1F)Cl 34a_100011998252_100000731001 [0,2,0,0,0,0|2,0,0]=4 10207 B14R1.4464 NC(=O)CCOc1ncc(cc1F)F 34a_100012025737_100000731001 [0,2,0,0,0,0|2,0,0]=4 10208 B14R1.4464 NC(=O)CCOc1ncc(cc1N)Br 34a_100000743729_100000731001 [0,2,0,0,0,0|2,0,0]=4 10209 B14R1.4464 NC(=O)CCOc1ncc(cc1N)Cl 34a_100011998249_100000731001 [0,2,0,0,0,0|2,0,0]=4 10210 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)Br 62a_100000744528_100011484698 [0,2,0,0,0,0|1,1,0]=4 10211 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)Br 62a_100011484698_100000744528 [0,2,0,0,0,0|1,1,0]=4 10212 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)Cl 62a_100000744528_100011219703 [0,2,0,0,0,0|1,1,0]=4 10213 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)Cl 62a_100011219703_100000744528 [0,2,0,0,0,0|1,1,0]=4 10214 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)F 62a_100000744528_100011217111 [0,2,0,0,0,0|1,1,0]=4 10215 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)F 62a_100011217111_100000744528 [0,2,0,0,0,0|1,1,0]=4 10216 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)N 62a_100000744528_100000750458 [0,2,0,0,0,0|1,1,0]=4 10217 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)N 62a_100000750458_100000744528 [0,2,0,0,0,0|1,1,0]=4 10218 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)O 62a_100000701344_100000744528 [0,2,0,0,0,0|1,1,0]=4 10219 B14R1.4464 NC(=O)CCSc1ccc(cc1Br)O 62a_100000744528_100000701344 [0,2,0,0,0,0|1,1,0]=4 10220 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)Br 62a_100000744528_100011216062 [0,2,0,0,0,0|1,1,0]=4 10221 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)Br 62a_100011216062_100000744528 [0,2,0,0,0,0|1,1,0]=4 10222 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000744528 [0,2,0,0,0,0|1,1,0]=4 10223 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)Cl 62a_100000744528_100000699841 [0,2,0,0,0,0|1,1,0]=4 10224 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)F 62a_100000733362_100000744528 [0,2,0,0,0,0|1,1,0]=4 10225 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)F 62a_100000744528_100000733362 [0,2,0,0,0,0|1,1,0]=4 10226 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)N 62a_100000744528_100000761885 [0,2,0,0,0,0|1,1,0]=4 10227 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)N 62a_100000761885_100000744528 [0,2,0,0,0,0|1,1,0]=4 10228 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)O 62a_100000047559_100000744528 [0,2,0,0,0,0|1,1,0]=4 10229 B14R1.4464 NC(=O)CCSc1ccc(cc1Cl)O 62a_100000744528_100000047559 [0,2,0,0,0,0|1,1,0]=4 10230 B14R1.4464 NC(=O)CCSc1ccc(cc1F)Br 62a_100000744528_100009814013 [0,2,0,0,0,0|1,1,0]=4 10231 B14R1.4464 NC(=O)CCSc1ccc(cc1F)Br 62a_100009814013_100000744528 [0,2,0,0,0,0|1,1,0]=4 10232 B14R1.4464 NC(=O)CCSc1ccc(cc1F)Cl 62a_100000744528_100011216042 [0,2,0,0,0,0|1,1,0]=4 10233 B14R1.4464 NC(=O)CCSc1ccc(cc1F)Cl 62a_100011216042_100000744528 [0,2,0,0,0,0|1,1,0]=4 10234 B14R1.4464 NC(=O)CCSc1ccc(cc1F)F 62a_100000744528_100000750030 [0,2,0,0,0,0|1,1,0]=4 10235 B14R1.4464 NC(=O)CCSc1ccc(cc1F)F 62a_100000750030_100000744528 [0,2,0,0,0,0|1,1,0]=4 10236 B14R1.4464 NC(=O)CCSc1ccc(cc1F)N 62a_100000744528_100011356925 [0,2,0,0,0,0|1,1,0]=4 10237 B14R1.4464 NC(=O)CCSc1ccc(cc1F)N 62a_100011356925_100000744528 [0,2,0,0,0,0|1,1,0]=4 10238 B14R1.4464 NC(=O)CCSc1ccc(cc1F)O 62a_100000744528_100000755031 [0,2,0,0,0,0|1,1,0]=4 10239 B14R1.4464 NC(=O)CCSc1ccc(cc1F)O 62a_100000755031_100000744528 [0,2,0,0,0,0|1,1,0]=4 10240 B14R1.4464 NC(=O)CCSc1ccc(cc1N)Br 62a_100000743836_100000744528 [0,2,0,0,0,0|1,1,0]=4 10241 B14R1.4464 NC(=O)CCSc1ccc(cc1N)Br 62a_100000744528_100000743836 [0,2,0,0,0,0|1,1,0]=4 10242 B14R1.4464 NC(=O)CCSc1ccc(cc1N)Cl 62a_100000744528_100000761886 [0,2,0,0,0,0|1,1,0]=4 10243 B14R1.4464 NC(=O)CCSc1ccc(cc1N)Cl 62a_100000761886_100000744528 [0,2,0,0,0,0|1,1,0]=4 10244 B14R1.4464 NC(=O)CCSc1ccc(cc1N)F 62a_100000687223_100000744528 [0,2,0,0,0,0|1,1,0]=4 10245 B14R1.4464 NC(=O)CCSc1ccc(cc1N)F 62a_100000744528_100000687223 [0,2,0,0,0,0|1,1,0]=4 10246 B14R1.4464 NC(=O)CCSc1ccc(cc1N)N 62a_100000744528_200012175722 [0,2,0,0,0,0|1,1,0]=4 10247 B14R1.4464 NC(=O)CCSc1ccc(cc1N)N 62a_200012175722_100000744528 [0,2,0,0,0,0|1,1,0]=4 10248 B14R1.4464 NC(=O)CCSc1ccc(cc1N)O 62a_100000744528_100011999798 [0,2,0,0,0,0|1,1,0]=4 10249 B14R1.4464 NC(=O)CCSc1ccc(cc1N)O 62a_100011999798_100000744528 [0,2,0,0,0,0|1,1,0]=4 10250 B14R1.4464 NC(=O)CCSc1ccc(cc1O)Br 62a_100000744528_100012344904 [0,2,0,0,0,0|1,1,0]=4 10251 B14R1.4464 NC(=O)CCSc1ccc(cc1O)Br 62a_100012344904_100000744528 [0,2,0,0,0,0|1,1,0]=4 10252 B14R1.4464 NC(=O)CCSc1ccc(cc1O)Cl 62a_100000050036_100000744528 [0,2,0,0,0,0|1,1,0]=4 10253 B14R1.4464 NC(=O)CCSc1ccc(cc1O)Cl 62a_100000744528_100000050036 [0,2,0,0,0,0|1,1,0]=4 10254 B14R1.4464 NC(=O)CCSc1ccc(cc1O)F 62a_100000690578_100000744528 [0,2,0,0,0,0|1,1,0]=4 10255 B14R1.4464 NC(=O)CCSc1ccc(cc1O)F 62a_100000744528_100000690578 [0,2,0,0,0,0|1,1,0]=4 10256 B14R1.4464 NC(=O)CCSc1ccc(cc1O)O 62a_100000744528_100009813921 [0,2,0,0,0,0|1,1,0]=4 10257 B14R1.4464 O=C(O)CNCc1ccc(cc1Br)Br 269956a_100016091260_200012351560 [0,2,0,0,0,0|2,0,0]=4 10258 B14R1.4464 O=C(O)CNCc1ccc(cc1Br)Cl 269956a_100016091260_100000755608 [0,2,0,0,0,0|2,0,0]=4 10259 B14R1.4464 O=C(O)CNCc1ccc(cc1Br)F 269956a_100016091260_100000243222 [0,2,0,0,0,0|2,0,0]=4 10260 B14R1.4464 O=C(O)CNCc1ccc(cc1Br)I 269956a_100016091260_100010146610 [0,2,0,0,0,0|2,0,0]=4 10261 B14R1.4464 O=C(O)CNCc1ccc(cc1Cl)Br 269956a_100016091260_100011740631 [0,2,0,0,0,0|2,0,0]=4 10262 B14R1.4464 O=C(O)CNCc1ccc(cc1Cl)Cl 269956a_100016091260_100000188473 [0,2,0,0,0,0|2,0,0]=4 10263 B14R1.4464 O=C(O)CNCc1ccc(cc1Cl)F 269956a_100016091260_100000187853 [0,2,0,0,0,0|2,0,0]=4 10264 B14R1.4464 O=C(O)CNCc1ccc(cc1F)Br 269956a_100016091260_100000211606 [0,2,0,0,0,0|2,0,0]=4 10265 B14R1.4464 O=C(O)CNCc1ccc(cc1F)Cl 269956a_100016091260_100000709361 [0,2,0,0,0,0|2,0,0]=4 10266 B14R1.4464 O=C(O)CNCc1ccc(cc1F)F 269956a_100016091260_100000748237 [0,2,0,0,0,0|2,0,0]=4 10267 B14R1.4464 O=C(O)CNCc1ccc(cc1F)I 269956a_100016091260_100010244991 [0,2,0,0,0,0|2,0,0]=4 10268 B14R1.4464 O=C(O)CNCc1ccc(cc1I)Br 269956a_100016091260_100010146615 [0,2,0,0,0,0|2,0,0]=4 10269 B14R1.4464 O=C(O)CNCc1ccc(cc1I)Cl 269956a_100016091260_100010254388 [0,2,0,0,0,0|2,0,0]=4 10270 B14R1.4464 O=C(O)CNCc1ccc(cc1I)F 269956a_100016091260_100012354799 [0,2,0,0,0,0|2,0,0]=4 10271 B14R1.4464 [13CH3]C(=O)CCCc1ccc(cc1F)F 1458a_100011236538_200025704644 [0,2,0,0,0,0|2,0,0]=4 10272 B14R1.4464 [13CH3]C(=O)CCOc1ccc(cc1Cl)F 1458a_100000240429_200025704644 [0,2,0,0,0,0|1,0,0]=3 10273 B14R1.4464 [13CH3]C(=O)CCOc1ccc(cc1F)F 1458a_100000743258_200025704644 [0,2,0,0,0,0|1,0,0]=3 10274 B14R1.4920 C=C(C)CCOc1c(cccc1Br)Br 34a_100000736428_100000730704 [0,2,0,0,0,0|2,0,0]=4 10275 B14R1.4920 C=C(C)CCOc1c(cccc1Br)Br 7a_100000736428_100000730704 [0,2,0,0,0,0|2,0,0]=4 10276 B14R1.4920 C=C(C)CCOc1c(cccc1Br)C 34a_100009817157_100000730704 [0,2,0,0,0,0|2,0,0]=4 10277 B14R1.4920 C=C(C)CCOc1c(cccc1Br)C 7a_100009817157_100000730704 [0,2,0,0,0,0|2,0,0]=4 10278 B14R1.4920 C=C(C)CCOc1c(cccc1Br)Cl 34a_100010214474_100000730704 [0,2,0,0,0,0|2,0,0]=4 10279 B14R1.4920 C=C(C)CCOc1c(cccc1Br)Cl 7a_100010214474_100000730704 [0,2,0,0,0,0|2,0,0]=4 10280 B14R1.4920 C=C(C)CCOc1c(cccc1Br)F 34a_100009813666_100000730704 [0,2,0,0,0,0|2,0,0]=4 10281 B14R1.4920 C=C(C)CCOc1c(cccc1Br)F 7a_100009813666_100000730704 [0,2,0,0,0,0|2,0,0]=4 10282 B14R1.4920 C=C(C)CCOc1c(cccc1Br)N 34a_100011934915_100000730704 [0,2,0,0,0,0|2,0,0]=4 10283 B14R1.4920 C=C(C)CCOc1c(cccc1C)C 34a_100000210341_100000730704 [0,2,0,0,0,0|2,0,0]=4 10284 B14R1.4920 C=C(C)CCOc1c(cccc1C)C 7a_100000210341_100000730704 [0,2,0,0,0,0|2,0,0]=4 10285 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)C 34a_100000033731_100000730704 [0,2,0,0,0,0|2,0,0]=4 10286 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)C 7a_100000033731_100000730704 [0,2,0,0,0,0|2,0,0]=4 10287 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)Cl 34a_100000211709_100000730704 [0,2,0,0,0,0|2,0,0]=4 10288 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000730704 [0,2,0,0,0,0|2,0,0]=4 10289 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)F 34a_100000694953_100000730704 [0,2,0,0,0,0|2,0,0]=4 10290 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)F 7a_100000694953_100000730704 [0,2,0,0,0,0|2,0,0]=4 10291 B14R1.4920 C=C(C)CCOc1c(cccc1Cl)N 34a_100000754742_100000730704 [0,2,0,0,0,0|2,0,0]=4 10292 B14R1.4920 C=C(C)CCOc1c(cccc1F)C 34a_100011659162_100000730704 [0,2,0,0,0,0|2,0,0]=4 10293 B14R1.4920 C=C(C)CCOc1c(cccc1F)C 7a_100011659162_100000730704 [0,2,0,0,0,0|2,0,0]=4 10294 B14R1.4920 C=C(C)CCOc1c(cccc1F)F 34a_100000230165_100000730704 [0,2,0,0,0,0|2,0,0]=4 10295 B14R1.4920 C=C(C)CCOc1c(cccc1F)F 7a_100000230165_100000730704 [0,2,0,0,0,0|2,0,0]=4 10296 B14R1.4920 C=C(C)CCOc1c(cccc1F)N 34a_100011934987_100000730704 [0,2,0,0,0,0|2,0,0]=4 10297 B14R1.4920 C=C(C)CCOc1c(cccc1I)Br 34a_100010084509_100000730704 [0,2,0,0,0,0|2,0,0]=4 10298 B14R1.4920 C=C(C)CCOc1c(cccc1I)Br 7a_100010084509_100000730704 [0,2,0,0,0,0|2,0,0]=4 10299 B14R1.4920 C=C(C)CCOc1c(cccc1I)Cl 34a_100010202889_100000730704 [0,2,0,0,0,0|2,0,0]=4 10300 B14R1.4920 C=C(C)CCOc1c(cccc1I)Cl 7a_100010202889_100000730704 [0,2,0,0,0,0|2,0,0]=4 10301 B14R1.4920 C=C(C)CCOc1c(cccc1I)F 34a_100010186298_100000730704 [0,2,0,0,0,0|2,0,0]=4 10302 B14R1.4920 C=C(C)CCOc1c(cccc1I)F 7a_100010186298_100000730704 [0,2,0,0,0,0|2,0,0]=4 10303 B14R1.4920 C=C(C)CCOc1c(cccc1I)N 34a_100010084371_100000730704 [0,2,0,0,0,0|2,0,0]=4 10304 B14R1.4920 C=C(C)CCOc1c(cccc1N)C 34a_100000756359_100000730704 [0,2,0,0,0,0|2,0,0]=4 10305 B14R1.4920 C=C(C)CCOc1c(cccc1N)C 7a_100000756359_100000730704 [0,2,0,0,0,0|2,0,0]=4 10306 B14R1.4920 C=C(C)CCOc1c(cccc1N)N 34a_200016994477_100000730704 [0,2,0,0,0,0|2,0,0]=4 10307 B14R1.4920 CC(=O)CCOc1c(cccc1Br)Br 7a_100000736428_100000053229 [0,2,0,0,0,0|1,0,0]=3 10308 B14R1.4920 CC(=O)CCOc1c(cccc1Br)C 7a_100009817157_100000053229 [0,2,0,0,0,0|1,0,0]=3 10309 B14R1.4920 CC(=O)CCOc1c(cccc1Br)Cl 7a_100010214474_100000053229 [0,2,0,0,0,0|1,0,0]=3 10310 B14R1.4920 CC(=O)CCOc1c(cccc1Br)F 7a_100009813666_100000053229 [0,2,0,0,0,0|1,0,0]=3 10311 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 1458a_100000070787_100000184555 [0,2,0,0,0,0|1,0,0]=3 10312 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 1458a_200000738035_200000210301 [0,2,0,0,0,0|1,0,0]=3 10313 B14R1.4920 CC(=O)CCOc1c(cccc1C)C 7a_100000210341_100000053229 [0,2,0,0,0,0|1,0,0]=3 10314 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)C 7a_100000033731_100000053229 [0,2,0,0,0,0|1,0,0]=3 10315 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)Cl 1458a_100000070787_100000184560 [0,2,0,0,0,0|1,0,0]=3 10316 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000053229 [0,2,0,0,0,0|1,0,0]=3 10317 B14R1.4920 CC(=O)CCOc1c(cccc1Cl)F 7a_100000694953_100000053229 [0,2,0,0,0,0|1,0,0]=3 10318 B14R1.4920 CC(=O)CCOc1c(cccc1F)C 7a_100011659162_100000053229 [0,2,0,0,0,0|1,0,0]=3 10319 B14R1.4920 CC(=O)CCOc1c(cccc1F)F 7a_100000230165_100000053229 [0,2,0,0,0,0|1,0,0]=3 10320 B14R1.4920 CC(=O)CCOc1c(cccc1I)Br 7a_100010084509_100000053229 [0,2,0,0,0,0|1,0,0]=3 10321 B14R1.4920 CC(=O)CCOc1c(cccc1I)Cl 7a_100010202889_100000053229 [0,2,0,0,0,0|1,0,0]=3 10322 B14R1.4920 CC(=O)CCOc1c(cccc1I)F 7a_100010186298_100000053229 [0,2,0,0,0,0|1,0,0]=3 10323 B14R1.4920 CC(=O)CCOc1c(cccc1N)C 7a_100000756359_100000053229 [0,2,0,0,0,0|1,0,0]=3 10324 B14R1.4920 CC(=O)CCOc1c(ccnc1C)C 7a_100011934651_100000053229 [0,2,0,0,0,0|2,0,0]=4 10325 B14R1.4920 CC(=O)CCOc1c(ccnc1Cl)C 7a_100000696282_100000053229 [0,2,0,0,0,0|2,0,0]=4 10326 B14R1.4920 CC(=O)CCOc1c(ccnc1Cl)Cl 7a_100000118450_100000053229 [0,2,0,0,0,0|2,0,0]=4 10327 B14R1.4920 CC(=O)CCOc1c(ccnc1Cl)F 7a_100009867227_100000053229 [0,2,0,0,0,0|2,0,0]=4 10328 B14R1.4920 CC(=O)CCOc1c(ccnc1Cl)I 7a_100010067911_100000053229 [0,2,0,0,0,0|2,0,0]=4 10329 B14R1.4920 CC(=O)CCOc1c(ccnc1Cl)N 7a_100009844647_100000053229 [0,2,0,0,0,0|2,0,0]=4 10330 B14R1.4920 CC(=O)CCSc1c(cccc1Br)Br 62a_100000053229_100009994525 [0,2,0,0,0,0|1,1,0]=4 10331 B14R1.4920 CC(=O)CCSc1c(cccc1Br)Br 62a_100009994525_100000053229 [0,2,0,0,0,0|1,1,0]=4 10332 B14R1.4920 CC(=O)CCSc1c(cccc1Br)C 62a_100000053229_100010141302 [0,2,0,0,0,0|1,1,0]=4 10333 B14R1.4920 CC(=O)CCSc1c(cccc1Br)C 62a_100010141302_100000053229 [0,2,0,0,0,0|1,1,0]=4 10334 B14R1.4920 CC(=O)CCSc1c(cccc1Br)Cl 62a_100000053229_100010214488 [0,2,0,0,0,0|1,1,0]=4 10335 B14R1.4920 CC(=O)CCSc1c(cccc1Br)Cl 62a_100010214488_100000053229 [0,2,0,0,0,0|1,1,0]=4 10336 B14R1.4920 CC(=O)CCSc1c(cccc1Br)F 62a_100000053229_100011219512 [0,2,0,0,0,0|1,1,0]=4 10337 B14R1.4920 CC(=O)CCSc1c(cccc1Br)F 62a_100011219512_100000053229 [0,2,0,0,0,0|1,1,0]=4 10338 B14R1.4920 CC(=O)CCSc1c(cccc1Br)N 62a_100000053229_100020590159 [0,2,0,0,0,0|1,1,0]=4 10339 B14R1.4920 CC(=O)CCSc1c(cccc1Br)N 62a_100020590159_100000053229 [0,2,0,0,0,0|1,1,0]=4 10340 B14R1.4920 CC(=O)CCSc1c(cccc1Br)O 62a_100000053229_100010187912 [0,2,0,0,0,0|1,1,0]=4 10341 B14R1.4920 CC(=O)CCSc1c(cccc1Br)O 62a_100010187912_100000053229 [0,2,0,0,0,0|1,1,0]=4 10342 B14R1.4920 CC(=O)CCSc1c(cccc1C)C 62a_100000033847_100000053229 [0,2,0,0,0,0|1,1,0]=4 10343 B14R1.4920 CC(=O)CCSc1c(cccc1C)C 62a_100000053229_100000033847 [0,2,0,0,0,0|1,1,0]=4 10344 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)C 62a_100000043165_100000053229 [0,2,0,0,0,0|1,1,0]=4 10345 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)C 62a_100000053229_100000043165 [0,2,0,0,0,0|1,1,0]=4 10346 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)Cl 62a_100000034237_100000053229 [0,2,0,0,0,0|1,1,0]=4 10347 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)Cl 62a_100000053229_100000034237 [0,2,0,0,0,0|1,1,0]=4 10348 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)F 62a_100000050007_100000053229 [0,2,0,0,0,0|1,1,0]=4 10349 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)F 62a_100000053229_100000050007 [0,2,0,0,0,0|1,1,0]=4 10350 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)N 62a_100000049713_100000053229 [0,2,0,0,0,0|1,1,0]=4 10351 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)N 62a_100000053229_100000049713 [0,2,0,0,0,0|1,1,0]=4 10352 B14R1.4920 CC(=O)CCSc1c(cccc1Cl)O 62a_100000053229_100000050174 [0,2,0,0,0,0|1,1,0]=4 10353 B14R1.4920 CC(=O)CCSc1c(cccc1F)C 62a_100000053229_100011218421 [0,2,0,0,0,0|1,1,0]=4 10354 B14R1.4920 CC(=O)CCSc1c(cccc1F)C 62a_100011218421_100000053229 [0,2,0,0,0,0|1,1,0]=4 10355 B14R1.4920 CC(=O)CCSc1c(cccc1F)F 62a_100000053229_100000693133 [0,2,0,0,0,0|1,1,0]=4 10356 B14R1.4920 CC(=O)CCSc1c(cccc1F)F 62a_100000693133_100000053229 [0,2,0,0,0,0|1,1,0]=4 10357 B14R1.4920 CC(=O)CCSc1c(cccc1F)N 62a_100000053229_100000690935 [0,2,0,0,0,0|1,1,0]=4 10358 B14R1.4920 CC(=O)CCSc1c(cccc1F)N 62a_100000690935_100000053229 [0,2,0,0,0,0|1,1,0]=4 10359 B14R1.4920 CC(=O)CCSc1c(cccc1F)O 62a_100000053229_100009820682 [0,2,0,0,0,0|1,1,0]=4 10360 B14R1.4920 CC(=O)CCSc1c(cccc1F)O 62a_100009820682_100000053229 [0,2,0,0,0,0|1,1,0]=4 10361 B14R1.4920 CC(=O)CCSc1c(cccc1N)C 62a_100000053229_100000684715 [0,2,0,0,0,0|1,1,0]=4 10362 B14R1.4920 CC(=O)CCSc1c(cccc1N)C 62a_100000684715_100000053229 [0,2,0,0,0,0|1,1,0]=4 10363 B14R1.4920 CC(=O)CCSc1c(cccc1O)C 62a_100000053229_100000686692 [0,2,0,0,0,0|1,1,0]=4 10364 B14R1.4920 CC(=O)CCSc1c(cccc1O)C 62a_100000686692_100000053229 [0,2,0,0,0,0|1,1,0]=4 10365 B14R1.4920 CC(=O)CCSc1c(cccc1O)N 62a_100000053229_100012183704 [0,2,0,0,0,0|1,1,0]=4 10366 B14R1.4920 CC(=O)CCSc1c(cccc1O)N 62a_100012183704_100000053229 [0,2,0,0,0,0|1,1,0]=4 10367 B14R1.4920 CC(=O)CCSc1c(cccc1O)O 62a_100000053229_100010205330 [0,2,0,0,0,0|1,1,0]=4 10368 B14R1.4920 CC(=O)OCOc1c(cccc1Br)Br 34a_100000736428_100009813279 [0,2,0,0,0,0|2,0,0]=4 10369 B14R1.4920 CC(=O)OCOc1c(cccc1Br)C 34a_100009817157_100009813279 [0,2,0,0,0,0|2,0,0]=4 10370 B14R1.4920 CC(=O)OCOc1c(cccc1Br)Cl 34a_100010214474_100009813279 [0,2,0,0,0,0|2,0,0]=4 10371 B14R1.4920 CC(=O)OCOc1c(cccc1Br)F 34a_100009813666_100009813279 [0,2,0,0,0,0|2,0,0]=4 10372 B14R1.4920 CC(=O)OCOc1c(cccc1Br)N 34a_100011934915_100009813279 [0,2,0,0,0,0|2,0,0]=4 10373 B14R1.4920 CC(=O)OCOc1c(cccc1C)C 34a_100000210341_100009813279 [0,2,0,0,0,0|2,0,0]=4 10374 B14R1.4920 CC(=O)OCOc1c(cccc1Cl)C 34a_100000033731_100009813279 [0,2,0,0,0,0|2,0,0]=4 10375 B14R1.4920 CC(=O)OCOc1c(cccc1Cl)Cl 34a_100000211709_100009813279 [0,2,0,0,0,0|2,0,0]=4 10376 B14R1.4920 CC(=O)OCOc1c(cccc1Cl)F 34a_100000694953_100009813279 [0,2,0,0,0,0|2,0,0]=4 10377 B14R1.4920 CC(=O)OCOc1c(cccc1Cl)N 34a_100000754742_100009813279 [0,2,0,0,0,0|2,0,0]=4 10378 B14R1.4920 CC(=O)OCOc1c(cccc1F)C 34a_100011659162_100009813279 [0,2,0,0,0,0|2,0,0]=4 10379 B14R1.4920 CC(=O)OCOc1c(cccc1F)F 34a_100000230165_100009813279 [0,2,0,0,0,0|2,0,0]=4 10380 B14R1.4920 CC(=O)OCOc1c(cccc1F)N 34a_100011934987_100009813279 [0,2,0,0,0,0|2,0,0]=4 10381 B14R1.4920 CC(=O)OCOc1c(cccc1I)Br 34a_100010084509_100009813279 [0,2,0,0,0,0|2,0,0]=4 10382 B14R1.4920 CC(=O)OCOc1c(cccc1I)Cl 34a_100010202889_100009813279 [0,2,0,0,0,0|2,0,0]=4 10383 B14R1.4920 CC(=O)OCOc1c(cccc1I)F 34a_100010186298_100009813279 [0,2,0,0,0,0|2,0,0]=4 10384 B14R1.4920 CC(=O)OCOc1c(cccc1I)N 34a_100010084371_100009813279 [0,2,0,0,0,0|2,0,0]=4 10385 B14R1.4920 CC(=O)OCOc1c(cccc1N)C 34a_100000756359_100009813279 [0,2,0,0,0,0|2,0,0]=4 10386 B14R1.4920 CC(=O)OCOc1c(cccc1N)N 34a_200016994477_100009813279 [0,2,0,0,0,0|2,0,0]=4 10387 B14R1.4920 CC(O)CCOc1c(cccc1Br)Br 34a_100000736428_100012276601 [0,2,0,0,0,0|1,0,1]=4 10388 B14R1.4920 CC(O)CCOc1c(cccc1Br)Br 7a_100000736428_100012276601 [0,2,0,0,0,0|1,0,1]=4 10389 B14R1.4920 CC(O)CCOc1c(cccc1Br)Cl 34a_100010214474_100012276601 [0,2,0,0,0,0|1,0,1]=4 10390 B14R1.4920 CC(O)CCOc1c(cccc1Br)Cl 7a_100010214474_100012276601 [0,2,0,0,0,0|1,0,1]=4 10391 B14R1.4920 CC(O)CCOc1c(cccc1Br)F 34a_100009813666_100012276601 [0,2,0,0,0,0|1,0,1]=4 10392 B14R1.4920 CC(O)CCOc1c(cccc1Br)F 7a_100009813666_100012276601 [0,2,0,0,0,0|1,0,1]=4 10393 B14R1.4920 CC(O)CCOc1c(cccc1Br)N 34a_100011934915_100012276601 [0,2,0,0,0,0|1,0,1]=4 10394 B14R1.4920 CC(O)CCOc1c(cccc1Cl)Cl 34a_100000211709_100012276601 [0,2,0,0,0,0|1,0,1]=4 10395 B14R1.4920 CC(O)CCOc1c(cccc1Cl)Cl 7a_100000211709_100012276601 [0,2,0,0,0,0|1,0,1]=4 10396 B14R1.4920 CC(O)CCOc1c(cccc1Cl)F 34a_100000694953_100012276601 [0,2,0,0,0,0|1,0,1]=4 10397 B14R1.4920 CC(O)CCOc1c(cccc1Cl)F 7a_100000694953_100012276601 [0,2,0,0,0,0|1,0,1]=4 10398 B14R1.4920 CC(O)CCOc1c(cccc1Cl)N 34a_100000754742_100012276601 [0,2,0,0,0,0|1,0,1]=4 10399 B14R1.4920 CC(O)CCOc1c(cccc1F)F 34a_100000230165_100012276601 [0,2,0,0,0,0|1,0,1]=4 10400 B14R1.4920 CC(O)CCOc1c(cccc1F)F 7a_100000230165_100012276601 [0,2,0,0,0,0|1,0,1]=4 10401 B14R1.4920 CC(O)CCOc1c(cccc1F)N 34a_100011934987_100012276601 [0,2,0,0,0,0|1,0,1]=4 10402 B14R1.4920 CC(O)CCOc1c(cccc1I)Br 34a_100010084509_100012276601 [0,2,0,0,0,0|1,0,1]=4 10403 B14R1.4920 CC(O)CCOc1c(cccc1I)Br 7a_100010084509_100012276601 [0,2,0,0,0,0|1,0,1]=4 10404 B14R1.4920 CC(O)CCOc1c(cccc1I)Cl 34a_100010202889_100012276601 [0,2,0,0,0,0|1,0,1]=4 10405 B14R1.4920 CC(O)CCOc1c(cccc1I)Cl 7a_100010202889_100012276601 [0,2,0,0,0,0|1,0,1]=4 10406 B14R1.4920 CC(O)CCOc1c(cccc1I)F 34a_100010186298_100012276601 [0,2,0,0,0,0|1,0,1]=4 10407 B14R1.4920 CC(O)CCOc1c(cccc1I)F 7a_100010186298_100012276601 [0,2,0,0,0,0|1,0,1]=4 10408 B14R1.4920 CC(O)CCOc1c(cccc1I)N 34a_100010084371_100012276601 [0,2,0,0,0,0|1,0,1]=4 10409 B14R1.4920 CC(O)CCOc1c(cccc1N)N 34a_200016994477_100012276601 [0,2,0,0,0,0|1,0,1]=4 10410 B14R1.4920 Cc1cccc(c1CNCC(=O)O)Br 269956a_100016091260_100010146847 [0,2,0,0,0,0|2,0,0]=4 10411 B14R1.4920 Cc1cccc(c1CNCC(=O)O)C 269956a_100016091260_100000758300 [0,2,0,0,0,0|2,0,0]=4 10412 B14R1.4920 Cc1cccc(c1CNCC(=O)O)F 269956a_100016091260_100009814554 [0,2,0,0,0,0|2,0,0]=4 10413 B14R1.4920 Cc1cccc(c1CNCC(=O)O)I 269956a_100016091260_100010150146 [0,2,0,0,0,0|2,0,0]=4 10414 B14R1.4920 Cc1cccc(c1NCCC(=O)N)Br 34a_100011834072_100000731001 [0,2,0,0,0,0|2,0,0]=4 10415 B14R1.4920 Cc1cccc(c1NCCC(=O)N)C 34a_100000185769_100000731001 [0,2,0,0,0,0|2,0,0]=4 10416 B14R1.4920 Cc1cccc(c1NCCC(=O)N)Cl 34a_100000756524_100000731001 [0,2,0,0,0,0|2,0,0]=4 10417 B14R1.4920 Cc1cccc(c1NCCC(=O)N)F 34a_100000766463_100000731001 [0,2,0,0,0,0|2,0,0]=4 10418 B14R1.4920 Cc1cccc(c1NCCC(=O)N)O 34a_100000743429_100000731001 [0,2,0,0,0,0|2,0,0]=4 10419 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Br 34a_100009817157_100000731001 [0,2,0,0,0,0|1,0,0]=3 10420 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Br 7a_100009817157_100000744528 [0,2,0,0,0,0|1,0,0]=3 10421 B14R1.4920 Cc1cccc(c1OCCC(=O)N)C 34a_100000210341_100000731001 [0,2,0,0,0,0|1,0,0]=3 10422 B14R1.4920 Cc1cccc(c1OCCC(=O)N)C 7a_100000210341_100000744528 [0,2,0,0,0,0|1,0,0]=3 10423 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Cl 34a_100000033731_100000731001 [0,2,0,0,0,0|1,0,0]=3 10424 B14R1.4920 Cc1cccc(c1OCCC(=O)N)Cl 7a_100000033731_100000744528 [0,2,0,0,0,0|1,0,0]=3 10425 B14R1.4920 Cc1cccc(c1OCCC(=O)N)F 34a_100011659162_100000731001 [0,2,0,0,0,0|1,0,0]=3 10426 B14R1.4920 Cc1cccc(c1OCCC(=O)N)F 7a_100011659162_100000744528 [0,2,0,0,0,0|1,0,0]=3 10427 B14R1.4920 Cc1cccc(c1OCCC(=O)N)N 34a_100000756359_100000731001 [0,2,0,0,0,0|1,0,0]=3 10428 B14R1.4920 Cc1cccc(c1OCCC(=O)N)N 7a_100000756359_100000744528 [0,2,0,0,0,0|1,0,0]=3 10429 B14R1.4920 Cc1cccc(c1OCCC(=O)[13CH3])C 1458a_200000738035_200025704644 [0,2,0,0,0,0|1,0,0]=3 10430 B14R1.4920 Cc1cccc(c1OCCC(C)O)Br 34a_100009817157_100012276601 [0,2,0,0,0,0|1,0,1]=4 10431 B14R1.4920 Cc1cccc(c1OCCC(C)O)Br 7a_100009817157_100012276601 [0,2,0,0,0,0|1,0,1]=4 10432 B14R1.4920 Cc1cccc(c1OCCC(C)O)C 34a_100000210341_100012276601 [0,2,0,0,0,0|1,0,1]=4 10433 B14R1.4920 Cc1cccc(c1OCCC(C)O)C 7a_100000210341_100012276601 [0,2,0,0,0,0|1,0,1]=4 10434 B14R1.4920 Cc1cccc(c1OCCC(C)O)Cl 34a_100000033731_100012276601 [0,2,0,0,0,0|1,0,1]=4 10435 B14R1.4920 Cc1cccc(c1OCCC(C)O)Cl 7a_100000033731_100012276601 [0,2,0,0,0,0|1,0,1]=4 10436 B14R1.4920 Cc1cccc(c1OCCC(C)O)F 34a_100011659162_100012276601 [0,2,0,0,0,0|1,0,1]=4 10437 B14R1.4920 Cc1cccc(c1OCCC(C)O)F 7a_100011659162_100012276601 [0,2,0,0,0,0|1,0,1]=4 10438 B14R1.4920 Cc1cccc(c1OCCC(C)O)N 34a_100000756359_100012276601 [0,2,0,0,0,0|1,0,1]=4 10439 B14R1.4920 Cc1cccc(c1OCCC(C)O)N 7a_100000756359_100012276601 [0,2,0,0,0,0|1,0,1]=4 10440 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Br 62a_100000744528_100010141302 [0,2,0,0,0,0|1,1,0]=4 10441 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Br 62a_100010141302_100000744528 [0,2,0,0,0,0|1,1,0]=4 10442 B14R1.4920 Cc1cccc(c1SCCC(=O)N)C 62a_100000033847_100000744528 [0,2,0,0,0,0|1,1,0]=4 10443 B14R1.4920 Cc1cccc(c1SCCC(=O)N)C 62a_100000744528_100000033847 [0,2,0,0,0,0|1,1,0]=4 10444 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Cl 62a_100000043165_100000744528 [0,2,0,0,0,0|1,1,0]=4 10445 B14R1.4920 Cc1cccc(c1SCCC(=O)N)Cl 62a_100000744528_100000043165 [0,2,0,0,0,0|1,1,0]=4 10446 B14R1.4920 Cc1cccc(c1SCCC(=O)N)F 62a_100000744528_100011218421 [0,2,0,0,0,0|1,1,0]=4 10447 B14R1.4920 Cc1cccc(c1SCCC(=O)N)F 62a_100011218421_100000744528 [0,2,0,0,0,0|1,1,0]=4 10448 B14R1.4920 Cc1cccc(c1SCCC(=O)N)N 62a_100000684715_100000744528 [0,2,0,0,0,0|1,1,0]=4 10449 B14R1.4920 Cc1cccc(c1SCCC(=O)N)N 62a_100000744528_100000684715 [0,2,0,0,0,0|1,1,0]=4 10450 B14R1.4920 Cc1cccc(c1SCCC(=O)N)O 62a_100000686692_100000744528 [0,2,0,0,0,0|1,1,0]=4 10451 B14R1.4920 Cc1cccc(c1SCCC(=O)N)O 62a_100000744528_100000686692 [0,2,0,0,0,0|1,1,0]=4 10452 B14R1.4920 Cc1ccnc(c1OCCC(=O)N)C 34a_100011934651_100000731001 [0,2,0,0,0,0|2,0,0]=4 10453 B14R1.4920 Cc1ccnc(c1OCCC(=O)N)C 7a_100011934651_100000744528 [0,2,0,0,0,0|2,0,0]=4 10454 B14R1.4920 Cc1ccnc(c1OCCC(=O)N)Cl 34a_100000696282_100000731001 [0,2,0,0,0,0|2,0,0]=4 10455 B14R1.4920 Cc1ccnc(c1OCCC(=O)N)Cl 7a_100000696282_100000744528 [0,2,0,0,0,0|2,0,0]=4 10456 B14R1.4920 Cc1occc(=O)c1OCCC(=O)N 34a_100000031901_100000731001 [0,2,0,0,0,0|2,0,0]=4 10457 B14R1.4920 NC(=O)CCNc1c(cccc1Br)Br 34a_100000690995_100000731001 [0,2,0,0,0,0|2,0,0]=4 10458 B14R1.4920 NC(=O)CCNc1c(cccc1Br)Cl 34a_100102946385_100000731001 [0,2,0,0,0,0|2,0,0]=4 10459 B14R1.4920 NC(=O)CCNc1c(cccc1Br)F 34a_100000684712_100000731001 [0,2,0,0,0,0|2,0,0]=4 10460 B14R1.4920 NC(=O)CCNc1c(cccc1Br)O 34a_100011934926_100000731001 [0,2,0,0,0,0|2,0,0]=4 10461 B14R1.4920 NC(=O)CCNc1c(cccc1Cl)Cl 34a_100000210028_100000731001 [0,2,0,0,0,0|2,0,0]=4 10462 B14R1.4920 NC(=O)CCNc1c(cccc1Cl)F 34a_100000760031_100000731001 [0,2,0,0,0,0|2,0,0]=4 10463 B14R1.4920 NC(=O)CCNc1c(cccc1Cl)O 34a_100012022510_100000731001 [0,2,0,0,0,0|2,0,0]=4 10464 B14R1.4920 NC(=O)CCNc1c(cccc1F)F 2230a_100000210704_100000744528 [0,2,0,0,0,0|2,0,0]=4 10465 B14R1.4920 NC(=O)CCNc1c(cccc1F)F 34a_100000210704_100000731001 [0,2,0,0,0,0|2,0,0]=4 10466 B14R1.4920 NC(=O)CCNc1c(cccc1F)O 34a_100020591140_100000731001 [0,2,0,0,0,0|2,0,0]=4 10467 B14R1.4920 NC(=O)CCNc1c(cccc1I)F 34a_100000042321_100000731001 [0,2,0,0,0,0|2,0,0]=4 10468 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Br 34a_100000736428_100000731001 [0,2,0,0,0,0|1,0,0]=3 10469 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Br 7a_100000736428_100000744528 [0,2,0,0,0,0|1,0,0]=3 10470 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Cl 34a_100010214474_100000731001 [0,2,0,0,0,0|1,0,0]=3 10471 B14R1.4920 NC(=O)CCOc1c(cccc1Br)Cl 7a_100010214474_100000744528 [0,2,0,0,0,0|1,0,0]=3 10472 B14R1.4920 NC(=O)CCOc1c(cccc1Br)F 34a_100009813666_100000731001 [0,2,0,0,0,0|1,0,0]=3 10473 B14R1.4920 NC(=O)CCOc1c(cccc1Br)F 7a_100009813666_100000744528 [0,2,0,0,0,0|1,0,0]=3 10474 B14R1.4920 NC(=O)CCOc1c(cccc1Br)N 34a_100011934915_100000731001 [0,2,0,0,0,0|1,0,0]=3 10475 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)Cl 34a_100000211709_100000731001 [0,2,0,0,0,0|1,0,0]=3 10476 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000744528 [0,2,0,0,0,0|1,0,0]=3 10477 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)F 34a_100000694953_100000731001 [0,2,0,0,0,0|1,0,0]=3 10478 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)F 7a_100000694953_100000744528 [0,2,0,0,0,0|1,0,0]=3 10479 B14R1.4920 NC(=O)CCOc1c(cccc1Cl)N 34a_100000754742_100000731001 [0,2,0,0,0,0|1,0,0]=3 10480 B14R1.4920 NC(=O)CCOc1c(cccc1F)F 34a_100000230165_100000731001 [0,2,0,0,0,0|1,0,0]=3 10481 B14R1.4920 NC(=O)CCOc1c(cccc1F)F 7a_100000230165_100000744528 [0,2,0,0,0,0|1,0,0]=3 10482 B14R1.4920 NC(=O)CCOc1c(cccc1F)N 34a_100011934987_100000731001 [0,2,0,0,0,0|1,0,0]=3 10483 B14R1.4920 NC(=O)CCOc1c(cccc1I)Br 34a_100010084509_100000731001 [0,2,0,0,0,0|1,0,0]=3 10484 B14R1.4920 NC(=O)CCOc1c(cccc1I)Br 7a_100010084509_100000744528 [0,2,0,0,0,0|1,0,0]=3 10485 B14R1.4920 NC(=O)CCOc1c(cccc1I)Cl 34a_100010202889_100000731001 [0,2,0,0,0,0|1,0,0]=3 10486 B14R1.4920 NC(=O)CCOc1c(cccc1I)Cl 7a_100010202889_100000744528 [0,2,0,0,0,0|1,0,0]=3 10487 B14R1.4920 NC(=O)CCOc1c(cccc1I)F 34a_100010186298_100000731001 [0,2,0,0,0,0|1,0,0]=3 10488 B14R1.4920 NC(=O)CCOc1c(cccc1I)F 7a_100010186298_100000744528 [0,2,0,0,0,0|1,0,0]=3 10489 B14R1.4920 NC(=O)CCOc1c(cccc1I)N 34a_100010084371_100000731001 [0,2,0,0,0,0|1,0,0]=3 10490 B14R1.4920 NC(=O)CCOc1c(cccc1N)N 34a_200016994477_100000731001 [0,2,0,0,0,0|1,0,0]=3 10491 B14R1.4920 NC(=O)CCOc1c(ccnc1Cl)Cl 34a_100000118450_100000731001 [0,2,0,0,0,0|2,0,0]=4 10492 B14R1.4920 NC(=O)CCOc1c(ccnc1Cl)Cl 7a_100000118450_100000744528 [0,2,0,0,0,0|2,0,0]=4 10493 B14R1.4920 NC(=O)CCOc1c(ccnc1Cl)F 34a_100009867227_100000731001 [0,2,0,0,0,0|2,0,0]=4 10494 B14R1.4920 NC(=O)CCOc1c(ccnc1Cl)F 7a_100009867227_100000744528 [0,2,0,0,0,0|2,0,0]=4 10495 B14R1.4920 NC(=O)CCOc1c(ccnc1Cl)I 34a_100010067911_100000731001 [0,2,0,0,0,0|2,0,0]=4 10496 B14R1.4920 NC(=O)CCOc1c(ccnc1Cl)I 7a_100010067911_100000744528 [0,2,0,0,0,0|2,0,0]=4 10497 B14R1.4920 NC(=O)CCOc1c(ccnc1Cl)N 34a_100009844647_100000731001 [0,2,0,0,0,0|2,0,0]=4 10498 B14R1.4920 NC(=O)CCOc1c(ccnc1Cl)N 7a_100009844647_100000744528 [0,2,0,0,0,0|2,0,0]=4 10499 B14R1.4920 NC(=O)CCSc1c(cccc1Br)Br 62a_100000744528_100009994525 [0,2,0,0,0,0|1,1,0]=4 10500 B14R1.4920 NC(=O)CCSc1c(cccc1Br)Br 62a_100009994525_100000744528 [0,2,0,0,0,0|1,1,0]=4 10501 B14R1.4920 NC(=O)CCSc1c(cccc1Br)Cl 62a_100000744528_100010214488 [0,2,0,0,0,0|1,1,0]=4 10502 B14R1.4920 NC(=O)CCSc1c(cccc1Br)Cl 62a_100010214488_100000744528 [0,2,0,0,0,0|1,1,0]=4 10503 B14R1.4920 NC(=O)CCSc1c(cccc1Br)F 62a_100000744528_100011219512 [0,2,0,0,0,0|1,1,0]=4 10504 B14R1.4920 NC(=O)CCSc1c(cccc1Br)F 62a_100011219512_100000744528 [0,2,0,0,0,0|1,1,0]=4 10505 B14R1.4920 NC(=O)CCSc1c(cccc1Br)N 62a_100000744528_100020590159 [0,2,0,0,0,0|1,1,0]=4 10506 B14R1.4920 NC(=O)CCSc1c(cccc1Br)N 62a_100020590159_100000744528 [0,2,0,0,0,0|1,1,0]=4 10507 B14R1.4920 NC(=O)CCSc1c(cccc1Br)O 62a_100000744528_100010187912 [0,2,0,0,0,0|1,1,0]=4 10508 B14R1.4920 NC(=O)CCSc1c(cccc1Br)O 62a_100010187912_100000744528 [0,2,0,0,0,0|1,1,0]=4 10509 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)Cl 62a_100000034237_100000744528 [0,2,0,0,0,0|1,1,0]=4 10510 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)Cl 62a_100000744528_100000034237 [0,2,0,0,0,0|1,1,0]=4 10511 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)F 62a_100000050007_100000744528 [0,2,0,0,0,0|1,1,0]=4 10512 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)F 62a_100000744528_100000050007 [0,2,0,0,0,0|1,1,0]=4 10513 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)N 62a_100000049713_100000744528 [0,2,0,0,0,0|1,1,0]=4 10514 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)N 62a_100000744528_100000049713 [0,2,0,0,0,0|1,1,0]=4 10515 B14R1.4920 NC(=O)CCSc1c(cccc1Cl)O 62a_100000744528_100000050174 [0,2,0,0,0,0|1,1,0]=4 10516 B14R1.4920 NC(=O)CCSc1c(cccc1F)F 62a_100000693133_100000744528 [0,2,0,0,0,0|1,1,0]=4 10517 B14R1.4920 NC(=O)CCSc1c(cccc1F)F 62a_100000744528_100000693133 [0,2,0,0,0,0|1,1,0]=4 10518 B14R1.4920 NC(=O)CCSc1c(cccc1F)N 62a_100000690935_100000744528 [0,2,0,0,0,0|1,1,0]=4 10519 B14R1.4920 NC(=O)CCSc1c(cccc1F)N 62a_100000744528_100000690935 [0,2,0,0,0,0|1,1,0]=4 10520 B14R1.4920 NC(=O)CCSc1c(cccc1F)O 62a_100000744528_100009820682 [0,2,0,0,0,0|1,1,0]=4 10521 B14R1.4920 NC(=O)CCSc1c(cccc1F)O 62a_100009820682_100000744528 [0,2,0,0,0,0|1,1,0]=4 10522 B14R1.4920 NC(=O)CCSc1c(cccc1O)N 62a_100000744528_100012183704 [0,2,0,0,0,0|1,1,0]=4 10523 B14R1.4920 NC(=O)CCSc1c(cccc1O)N 62a_100012183704_100000744528 [0,2,0,0,0,0|1,1,0]=4 10524 B14R1.4920 NC(=O)CCSc1c(cccc1O)O 62a_100000744528_100010205330 [0,2,0,0,0,0|1,1,0]=4 10525 B14R1.4920 O=C(O)CNCc1c(cccc1Br)Cl 269956a_100016091260_100010138402 [0,2,0,0,0,0|2,0,0]=4 10526 B14R1.4920 O=C(O)CNCc1c(cccc1Br)F 269956a_100016091260_100012145669 [0,2,0,0,0,0|2,0,0]=4 10527 B14R1.4920 O=C(O)CNCc1c(cccc1Cl)Cl 269956a_100016091260_100000187851 [0,2,0,0,0,0|2,0,0]=4 10528 B14R1.4920 O=C(O)CNCc1c(cccc1Cl)F 269956a_100016091260_100000187852 [0,2,0,0,0,0|2,0,0]=4 10529 B14R1.4920 O=C(O)CNCc1c(cccc1F)F 269956a_100016091260_100000709179 [0,2,0,0,0,0|2,0,0]=4 10530 B14R1.4920 O=C(O)CNCc1c(cccc1I)Br 269956a_100016091260_100010146611 [0,2,0,0,0,0|2,0,0]=4 10531 B14R1.4920 O=C(O)CNCc1c(cccc1I)F 269956a_100016091260_100010149602 [0,2,0,0,0,0|2,0,0]=4 10532 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000740634_200000210301 [0,2,0,0,0,0|2,0,0]=4 10533 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000749554_100015291786 [0,2,0,0,0,0|2,0,0]=4 10534 B14R1.425 CC(C(=O)O)N([13CH3])Cc1ccccc1 269956a_100000740634_200025704644 [0,2,0,0,0,0|2,0,0]=4 10535 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000210202 [0,2,0,0,0,0|2,0,0]=4 10536 B14R1.549 CCN(CC(=O)O)Cc1ccccc1 269956a_100000746405_100015291786 [0,2,0,0,0,0|2,0,0]=4 10537 B14R1.549 CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200000210301 [0,2,0,0,0,0|1,0,0]=3 10538 B14R1.549 O=C(O)CN(CF)Cc1ccccc1 269956a_100000745947_100015361967 [0,2,0,0,0,0|2,0,0]=4 10539 B14R1.549 [13CH3]N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_200025704644 [0,2,0,0,0,0|1,0,0]=3 10540 B14R1.698 CC(=O)CC(=O)Oc1ccc(cc1)Br 1458a_100000070787_200010760497 [0,2,0,0,0,0|1,0,1]=4 10541 B14R1.698 CC(=O)CC(C)Oc1ccc(cc1)F 1458a_100000070787_100010228477 [0,2,0,0,0,0|1,0,0]=3 10542 B14R1.698 CC(=O)CC(C)Sc1ccc(cc1)Cl 1458a_100011219718_200000210301 [0,2,0,0,0,0|1,1,0]=4 10543 B14R1.698 CC(CC(=O)[13CH3])Sc1ccc(cc1)Cl 1458a_100011219718_200025704644 [0,2,0,0,0,0|1,1,0]=4 10544 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Br 269956a_100000746989_100011217064 [0,2,0,0,0,0|2,0,0]=4 10545 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000746989_100000187161 [0,2,0,0,0,0|2,0,0]=4 10546 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200000210301 [0,2,0,0,0,0|2,0,0]=4 10547 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)F 269956a_100000746989_100000198546 [0,2,0,0,0,0|2,0,0]=4 10548 B14R1.698 CN(CC(=O)O)Cc1ccc(cc1)I 269956a_100000746989_100000189116 [0,2,0,0,0,0|2,0,0]=4 10549 B14R1.698 Cc1ccc(cc1)CN(C)CC(=O)O 269956a_100000746989_100000210814 [0,2,0,0,0,0|2,0,0]=4 10550 B14R1.698 [13CH3]N(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_200025704644 [0,2,0,0,0,0|2,0,0]=4 10551 B14R1.743 C#CC(=O)CC(=O)Oc1ccccc1 1458a_100000211873_100009813826 [0,2,0,0,0,0|1,0,1]=4 10552 B14R1.743 C=CC(=O)CC(=O)Oc1ccccc1 1458a_100000185746_100009813826 [0,2,0,0,0,0|1,0,1]=4 10553 B14R1.743 CCC(=O)CC(=O)Oc1ccccc1 1458a_100000210414_100009813826 [0,2,0,0,0,0|1,0,1]=4 10554 B14R1.743 CNC(=O)CC(=O)Oc1ccccc1 240690a_100102657272_200000075362 [0,2,0,0,0,0|1,0,1]=4 10555 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1458a_100000211351_100015291786 [0,2,0,0,0,0|1,0,1]=4 10556 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000211351 [0,2,0,0,0,0|1,0,1]=4 10557 B14R1.743 COC(=O)CC(C)Nc1ccccc1 34a_100000106764_100009817358 [0,2,0,0,0,0|1,0,0]=3 10558 B14R1.743 COC(=O)CC(C)Oc1ccccc1 34a_100000210340_100009817358 [0,2,0,0,0,0|0,0,0]=2 10559 B14R1.743 COC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817358 [0,2,0,0,0,0|0,0,0]=2 10560 B14R1.743 COC(=O)CC(C)Oc1cccnc1 34a_100000210849_100009817358 [0,2,0,0,0,0|1,0,0]=3 10561 B14R1.743 COC(=O)CC(C)Oc1cccnc1 7a_100000210849_100009817358 [0,2,0,0,0,0|1,0,0]=3 10562 B14R1.743 COC(=O)CC(C)Oc1ccncc1 34a_100000212176_100009817358 [0,2,0,0,0,0|1,0,0]=3 10563 B14R1.743 COC(=O)CC(C)Oc1ccnnc1 34a_100015204005_100009817358 [0,2,0,0,0,0|2,0,0]=4 10564 B14R1.743 COC(=O)CC(C)Oc1cncnc1 7a_100000754086_100009817358 [0,2,0,0,0,0|2,0,0]=4 10565 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817358 [0,2,0,0,0,0|0,1,0]=3 10566 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100009817358_100000041952 [0,2,0,0,0,0|0,1,0]=3 10567 B14R1.743 COC(=O)CC(C)Sc1ccccn1 62a_100009817358_100011216584 [0,2,0,0,0,0|1,1,0]=4 10568 B14R1.743 COC(=O)CC(C)Sc1ccccn1 62a_100011216584_100009817358 [0,2,0,0,0,0|1,1,0]=4 10569 B14R1.743 COC(=O)CC(C)Sc1cccnc1 62a_100000210063_100009817358 [0,2,0,0,0,0|1,1,0]=4 10570 B14R1.743 COC(=O)CC(C)Sc1cccnc1 62a_100009817358_100000210063 [0,2,0,0,0,0|1,1,0]=4 10571 B14R1.743 COC(=O)CC(C)Sc1ccncc1 62a_100000728582_100009817358 [0,2,0,0,0,0|1,1,0]=4 10572 B14R1.743 COC(=O)CC(C)Sc1ccncc1 62a_100009817358_100000728582 [0,2,0,0,0,0|1,1,0]=4 10573 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747449 [0,2,0,0,0,0|2,0,0]=4 10574 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000198492_100015291786 [0,2,0,0,0,0|2,0,0]=4 10575 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000219879_200000210301 [0,2,0,0,0,0|2,0,0]=4 10576 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747449 [0,2,0,0,0,0|2,0,0]=4 10577 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000219879_200000210301 [0,2,0,0,0,0|2,0,0]=4 10578 B14R1.743 COC(=O)CN(C)Cc1ccccc1 270004a_100000198492_100015611070 [0,2,0,0,0,0|2,0,0]=4 10579 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219879_200025704644 [0,2,0,0,0,0|2,0,0]=4 10580 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219879_200025704644 [0,2,0,0,0,0|2,0,0]=4 10581 B14R1.743 O=C(CO)CC(=O)Cc1ccccc1 1458a_100000210174_100000233483 [0,2,0,0,0,0|1,0,1]=4 10582 B14R1.743 O=C(CO)CC(=O)Nc1ccccc1 1458a_100000210174_100000182850 [0,2,0,0,0,0|1,0,1]=4 10583 B14R1.743 O=C(CO)CC(=O)Oc1ccccc1 1458a_100000210174_100009813826 [0,2,0,0,0,0|0,0,1]=3 10584 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)Br 34a_100000185759_100011261029 [0,2,0,0,0,0|1,0,1]=4 10585 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)C 34a_100000210336_100011261029 [0,2,0,0,0,0|1,0,1]=4 10586 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)Cl 34a_100000210216_100011261029 [0,2,0,0,0,0|1,0,1]=4 10587 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)F 34a_100000210339_100011261029 [0,2,0,0,0,0|1,0,1]=4 10588 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)I 34a_100000212066_100011261029 [0,2,0,0,0,0|1,0,1]=4 10589 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)N 34a_100000185829_100011261029 [0,2,0,0,0,0|1,0,1]=4 10590 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [0,2,0,0,0,0|2,0,0]=4 10591 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [0,2,0,0,0,0|2,0,0]=4 10592 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [0,2,0,0,0,0|2,0,0]=4 10593 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [0,2,0,0,0,0|2,0,0]=4 10594 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [0,2,0,0,0,0|2,0,0]=4 10595 B14R1.756 C=C(CNc1ccccc1)C(=O)OC 34a_100000106764_100009813391 [0,2,0,0,0,0|1,0,1]=4 10596 B14R1.756 C=C(COc1ccccc1)C(=O)OC 34a_100000210340_100009813391 [0,2,0,0,0,0|0,0,1]=3 10597 B14R1.756 C=C(COc1cccnc1)C(=O)OC 34a_100000210849_100009813391 [0,2,0,0,0,0|1,0,1]=4 10598 B14R1.756 C=C(COc1ccncc1)C(=O)OC 34a_100000212176_100009813391 [0,2,0,0,0,0|1,0,1]=4 10599 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100000719477_100009813391 [0,2,0,0,0,0|0,1,1]=4 10600 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100009813391_100000041952 [0,2,0,0,0,0|0,1,1]=4 10601 B14R1.756 CC(CCc1ccccc1)C(=O)CF 1458a_100011435293_100015361967 [0,2,0,0,0,0|2,0,0]=4 10602 B14R1.756 CCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000210202 [0,2,0,0,0,0|2,0,0]=4 10603 B14R1.756 CCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100000210202 [0,2,0,0,0,0|2,0,0]=4 10604 B14R1.756 CN(CCc1ccccc1)C(=O)CO 240690a_100000207497_100000210174 [0,2,0,0,0,0|2,0,0]=4 10605 B14R1.756 CN(CCc1ccccc1)C(=O)CO 527a_100000207497_100000210174 [0,2,0,0,0,0|2,0,0]=4 10606 B14R1.756 CNC(=O)C(C)CCc1ccccc1 11a_106832991635_100011435293 [0,2,0,0,0,0|2,0,0]=4 10607 B14R1.756 CNC(=O)C(C)CCc1ccccc1 1626a_100102657272_100011435293 [0,2,0,0,0,0|2,0,0]=4 10608 B14R1.756 CNC(=O)C(C)CCc1ccccc1 240690a_100102657272_100011435293 [0,2,0,0,0,0|2,0,0]=4 10609 B14R1.756 CNC(=O)C(C)CCc1ccccc1 527a_100102657272_100011435293 [0,2,0,0,0,0|2,0,0]=4 10610 B14R1.756 CNC(=O)C(O)CCc1ccccc1 240690a_100102657272_100000242596 [0,2,0,0,0,0|2,0,0]=4 10611 B14R1.756 COC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011610305 [0,2,0,0,0,0|1,0,1]=4 10612 B14R1.756 COC(=O)C(=O)COc1ccccc1 34a_100000210340_100011610305 [0,2,0,0,0,0|0,0,1]=3 10613 B14R1.756 COC(=O)C(=O)COc1cccnc1 34a_100000210849_100011610305 [0,2,0,0,0,0|1,0,1]=4 10614 B14R1.756 COC(=O)C(=O)COc1ccncc1 34a_100000212176_100011610305 [0,2,0,0,0,0|1,0,1]=4 10615 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011610305 [0,2,0,0,0,0|0,1,1]=4 10616 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100011610305_100000041952 [0,2,0,0,0,0|0,1,1]=4 10617 B14R1.756 COC(=O)C(C)CNc1ccccc1 34a_100000106764_100000698445 [0,2,0,0,0,0|1,0,0]=3 10618 B14R1.756 COC(=O)C(C)COc1ccccc1 34a_100000210340_100000698445 [0,2,0,0,0,0|0,0,0]=2 10619 B14R1.756 COC(=O)C(C)COc1cccnc1 34a_100000210849_100000698445 [0,2,0,0,0,0|1,0,0]=3 10620 B14R1.756 COC(=O)C(C)COc1ccncc1 34a_100000212176_100000698445 [0,2,0,0,0,0|1,0,0]=3 10621 B14R1.756 COC(=O)C(C)COc1ccnnc1 34a_100015204005_100000698445 [0,2,0,0,0,0|2,0,0]=4 10622 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000698445_100000041952 [0,2,0,0,0,0|0,1,0]=3 10623 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000719477_100000698445 [0,2,0,0,0,0|0,1,0]=3 10624 B14R1.756 COC(=O)C(C)CSc1ccccn1 62a_100000698445_100011216584 [0,2,0,0,0,0|1,1,0]=4 10625 B14R1.756 COC(=O)C(C)CSc1ccccn1 62a_100011216584_100000698445 [0,2,0,0,0,0|1,1,0]=4 10626 B14R1.756 COC(=O)C(C)CSc1cccnc1 62a_100000210063_100000698445 [0,2,0,0,0,0|1,1,0]=4 10627 B14R1.756 COC(=O)C(C)CSc1cccnc1 62a_100000698445_100000210063 [0,2,0,0,0,0|1,1,0]=4 10628 B14R1.756 COC(=O)C(C)CSc1ccncc1 62a_100000698445_100000728582 [0,2,0,0,0,0|1,1,0]=4 10629 B14R1.756 COC(=O)C(C)CSc1ccncc1 62a_100000728582_100000698445 [0,2,0,0,0,0|1,1,0]=4 10630 B14R1.756 COC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000211248 [0,2,0,0,0,0|2,0,0]=4 10631 B14R1.756 COC(=O)C(C)NCc1ccccc1 34a_100015324214_100000211248 [0,2,0,0,0,0|2,0,0]=4 10632 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100000210790_100000211248 [0,2,0,0,0,0|2,0,0]=4 10633 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100011215400_100015291786 [0,2,0,0,0,0|2,0,0]=4 10634 B14R1.756 COC(=O)C(C)OCc1ccccc1 7a_100000210790_100000211248 [0,2,0,0,0,0|2,0,0]=4 10635 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211182_100000211248 [0,2,0,0,0,0|2,0,0]=4 10636 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211248_100015291786 [0,2,0,0,0,0|2,0,0]=4 10637 B14R1.756 O=C(CF)C(O)CCc1ccccc1 1458a_100000242596_100015361967 [0,2,0,0,0,0|2,0,0]=4 10638 B14R1.4194 C=C[C@H](NCc1ccccc1)C(=O)O 269956a_100016992060_100015291786 [0,2,0,0,0,0|2,0,0]=4 10639 B14R1.4194 CC[C@@H](NCc1ccccc1)C(=O)O 269956a_100000747097_100015291786 [0,2,0,0,0,0|2,0,0]=4 10640 B14R1.4194 CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_200000210301 [0,2,0,0,0,0|1,0,0]=3 10641 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 269956a_100000187304_100015291786 [0,2,0,0,0,0|2,0,0]=4 10642 B14R1.4194 [13CH3]NC(CCc1ccccc1)C(=O)O 269956a_100000701298_200025704644 [0,2,0,0,0,0|1,0,0]=3 10643 B14R1.6395 CC(C)(CNc1ccccc1)C(=O)N 34a_100000106764_200009895572 [0,2,0,0,0,0|2,0,0]=4 10644 B14R1.6395 CC(C)(COc1ccccc1)C(=O)N 34a_100000210340_200009895572 [0,2,0,0,0,0|1,0,0]=3 10645 B14R1.6395 CC(C)(COc1cccnc1)C(=O)N 34a_100000210849_200009895572 [0,2,0,0,0,0|2,0,0]=4 10646 B14R1.6395 CC(C)(COc1ccncc1)C(=O)N 34a_100000212176_200009895572 [0,2,0,0,0,0|2,0,0]=4 10647 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_100000719477_200009895572 [0,2,0,0,0,0|1,1,0]=4 10648 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_200009895572_100000041952 [0,2,0,0,0,0|1,1,0]=4 10649 B14R1.4 C#Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000140223 [0,2,0,0,0,0|2,0,0]=4 10650 B14R1.4 C#Cc1ccc(cc1)NCCC(=O)N 34a_100011215031_100000731001 [0,2,0,0,0,0|2,0,0]=4 10651 B14R1.4 C#Cc1ccc(nc1)OCCC(=O)N 34a_200009884252_100000731001 [0,2,0,0,0,0|2,0,0]=4 10652 B14R1.4 C=C(C)CCOc1ccc(cc1)C#N 34a_100000210344_100000730704 [0,2,0,0,0,0|2,0,0]=4 10653 B14R1.4 C=C(C)CCOc1ccc(cc1)C#N 7a_100000210344_100000730704 [0,2,0,0,0,0|2,0,0]=4 10654 B14R1.4 C=C(C)CCOc1ccc(cc1)CC 34a_100000211359_100000730704 [0,2,0,0,0,0|2,0,0]=4 10655 B14R1.4 C=C(C)CCOc1ccc(cc1)CC 7a_100000211359_100000730704 [0,2,0,0,0,0|2,0,0]=4 10656 B14R1.4 C=C(C)CCOc1ccc(cc1)CN 34a_100000185549_100000730704 [0,2,0,0,0,0|2,0,0]=4 10657 B14R1.4 C=C(C)CCOc1ccc(cc1)CO 34a_100000211755_100000730704 [0,2,0,0,0,0|2,0,0]=4 10658 B14R1.4 C=C(C)CCOc1ccc(cc1)NC 34a_100000182112_100000730704 [0,2,0,0,0,0|2,0,0]=4 10659 B14R1.4 C=C(C)CCOc1ccc(cc1)OC 34a_100000210503_100000730704 [0,2,0,0,0,0|2,0,0]=4 10660 B14R1.4 C=C(C)CCOc1ccc(cc1)SC 34a_100000211864_100000730704 [0,2,0,0,0,0|2,0,0]=4 10661 B14R1.4 C=Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000034074 [0,2,0,0,0,0|2,0,0]=4 10662 B14R1.4 C=Cc1ccc(cc1)NCCC(=O)N 34a_100011218248_100000731001 [0,2,0,0,0,0|2,0,0]=4 10663 B14R1.4 C=Cc1ccc(cc1)OCCC(=C)C 34a_100000189437_100000730704 [0,2,0,0,0,0|2,0,0]=4 10664 B14R1.4 C=Cc1ccc(cc1)OCCC(=C)C 7a_100000189437_100000730704 [0,2,0,0,0,0|2,0,0]=4 10665 B14R1.4 C=Cc1ccc(cc1)OCCC(=O)C 7a_100000189437_100000053229 [0,2,0,0,0,0|1,0,0]=3 10666 B14R1.4 C=Cc1ccc(cc1)OCCC(=O)N 34a_100000189437_100000731001 [0,2,0,0,0,0|1,0,0]=3 10667 B14R1.4 C=Cc1ccc(cc1)OCCC(=O)N 7a_100000189437_100000744528 [0,2,0,0,0,0|1,0,0]=3 10668 B14R1.4 C=Cc1ccc(cc1)OCCC(C)O 34a_100000189437_100012276601 [0,2,0,0,0,0|1,0,1]=4 10669 B14R1.4 C=Cc1ccc(cc1)OCCC(C)O 7a_100000189437_100012276601 [0,2,0,0,0,0|1,0,1]=4 10670 B14R1.4 C=Cc1ccc(cc1)OCOC(=O)C 34a_100000189437_100009813279 [0,2,0,0,0,0|2,0,0]=4 10671 B14R1.4 C=Cc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000748128 [0,2,0,0,0,0|1,1,0]=4 10672 B14R1.4 C=Cc1ccc(cc1)SCCC(=O)C 62a_100000748128_100000053229 [0,2,0,0,0,0|1,1,0]=4 10673 B14R1.4 C=Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000748128 [0,2,0,0,0,0|1,1,0]=4 10674 B14R1.4 C=Cc1ccc(cc1)SCCC(=O)N 62a_100000748128_100000744528 [0,2,0,0,0,0|1,1,0]=4 10675 B14R1.4 CC(=O)CCOc1ccc(cc1)C#N 1458a_100000070787_100000184558 [0,2,0,0,0,0|1,0,0]=3 10676 B14R1.4 CC(=O)CCOc1ccc(cc1)C#N 1458a_100011194779_200000210301 [0,2,0,0,0,0|1,0,0]=3 10677 B14R1.4 CC(=O)CCOc1ccc(cc1)C#N 7a_100000210344_100000053229 [0,2,0,0,0,0|1,0,0]=3 10678 B14R1.4 CC(=O)CCOc1ccc(cc1)C=O 1458a_100000070787_100000040479 [0,2,0,0,0,0|1,0,0]=3 10679 B14R1.4 CC(=O)CCOc1ccc(cc1)CO 1458a_200011215777_200000210301 [0,2,0,0,0,0|1,0,0]=3 10680 B14R1.4 CC(=O)CCOc1ccc(nc1)C#N 7a_100011934750_100000053229 [0,2,0,0,0,0|2,0,0]=4 10681 B14R1.4 CC(=O)CCSc1ccc(cc1)C#N 62a_100000053229_100000184291 [0,2,0,0,0,0|1,1,0]=4 10682 B14R1.4 CC(=O)CCSc1ccc(cc1)C=O 62a_100000053229_100000188517 [0,2,0,0,0,0|1,1,0]=4 10683 B14R1.4 CC(=O)CCSc1ccc(cc1)C=O 62a_100000188517_100000053229 [0,2,0,0,0,0|1,1,0]=4 10684 B14R1.4 CC(=O)CCSc1ccc(cc1)CF 62a_100000053229_100010268989 [0,2,0,0,0,0|1,1,0]=4 10685 B14R1.4 CC(=O)CCSc1ccc(cc1)CF 62a_100010268989_100000053229 [0,2,0,0,0,0|1,1,0]=4 10686 B14R1.4 CC(=O)CCSc1ccc(cc1)CN 62a_100000053229_100016989417 [0,2,0,0,0,0|1,1,0]=4 10687 B14R1.4 CC(=O)CCSc1ccc(cc1)CN 62a_100016989417_100000053229 [0,2,0,0,0,0|1,1,0]=4 10688 B14R1.4 CC(=O)CCSc1ccc(cc1)CO 62a_100000053229_100000690907 [0,2,0,0,0,0|1,1,0]=4 10689 B14R1.4 CC(=O)CCSc1ccc(cc1)CO 62a_100000690907_100000053229 [0,2,0,0,0,0|1,1,0]=4 10690 B14R1.4 CC(=O)CCSc1ccc(cc1)NN 62a_100000053229_100016988836 [0,2,0,0,0,0|1,1,0]=4 10691 B14R1.4 CC(=O)CCSc1ccc(cc1)NN 62a_100016988836_100000053229 [0,2,0,0,0,0|1,1,0]=4 10692 B14R1.4 CC(=O)OCOc1ccc(cc1)C#N 34a_100000210344_100009813279 [0,2,0,0,0,0|2,0,0]=4 10693 B14R1.4 CC(=O)OCOc1ccc(cc1)CN 34a_100000185549_100009813279 [0,2,0,0,0,0|2,0,0]=4 10694 B14R1.4 CC(=O)OCOc1ccc(cc1)CO 34a_100000211755_100009813279 [0,2,0,0,0,0|2,0,0]=4 10695 B14R1.4 CC(O)CCOc1ccc(cc1)C#N 34a_100000210344_100012276601 [0,2,0,0,0,0|1,0,1]=4 10696 B14R1.4 CC(O)CCOc1ccc(cc1)C#N 7a_100000210344_100012276601 [0,2,0,0,0,0|1,0,1]=4 10697 B14R1.4 CC(O)CCOc1ccc(cc1)CN 34a_100000185549_100012276601 [0,2,0,0,0,0|1,0,1]=4 10698 B14R1.4 CC(O)CCOc1ccc(cc1)CO 34a_100000211755_100012276601 [0,2,0,0,0,0|1,0,1]=4 10699 B14R1.4 CCc1ccc(cc1)CCCC(=O)C 1458a_100011236546_200000210301 [0,2,0,0,0,0|2,0,0]=4 10700 B14R1.4 CCc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100011236546_200025704644 [0,2,0,0,0,0|2,0,0]=4 10701 B14R1.4 CCc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000757233 [0,2,0,0,0,0|2,0,0]=4 10702 B14R1.4 CCc1ccc(cc1)NCCC(=O)N 2230a_100000211069_100000744528 [0,2,0,0,0,0|2,0,0]=4 10703 B14R1.4 CCc1ccc(cc1)NCCC(=O)N 34a_100000211069_100000731001 [0,2,0,0,0,0|2,0,0]=4 10704 B14R1.4 CCc1ccc(cc1)OCCC(=O)C 7a_100000211359_100000053229 [0,2,0,0,0,0|1,0,0]=3 10705 B14R1.4 CCc1ccc(cc1)OCCC(=O)N 34a_100000211359_100000731001 [0,2,0,0,0,0|1,0,0]=3 10706 B14R1.4 CCc1ccc(cc1)OCCC(=O)N 7a_100000211359_100000744528 [0,2,0,0,0,0|1,0,0]=3 10707 B14R1.4 CCc1ccc(cc1)OCCC(C)O 34a_100000211359_100012276601 [0,2,0,0,0,0|1,0,1]=4 10708 B14R1.4 CCc1ccc(cc1)OCCC(C)O 7a_100000211359_100012276601 [0,2,0,0,0,0|1,0,1]=4 10709 B14R1.4 CCc1ccc(cc1)OCOC(=O)C 34a_100000211359_100009813279 [0,2,0,0,0,0|2,0,0]=4 10710 B14R1.4 CCc1ccc(cc1)SCCC(=O)C 62a_100000053229_100011215824 [0,2,0,0,0,0|1,1,0]=4 10711 B14R1.4 CCc1ccc(cc1)SCCC(=O)C 62a_100011215824_100000053229 [0,2,0,0,0,0|1,1,0]=4 10712 B14R1.4 CCc1ccc(cc1)SCCC(=O)N 62a_100000744528_100011215824 [0,2,0,0,0,0|1,1,0]=4 10713 B14R1.4 CCc1ccc(cc1)SCCC(=O)N 62a_100011215824_100000744528 [0,2,0,0,0,0|1,1,0]=4 10714 B14R1.4 CNc1ccc(cc1)OCCC(=O)N 34a_100000182112_100000731001 [0,2,0,0,0,0|1,0,0]=3 10715 B14R1.4 CNc1ccc(cc1)OCCC(C)O 34a_100000182112_100012276601 [0,2,0,0,0,0|1,0,1]=4 10716 B14R1.4 CNc1ccc(cc1)OCOC(=O)C 34a_100000182112_100009813279 [0,2,0,0,0,0|2,0,0]=4 10717 B14R1.4 CNc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000743151 [0,2,0,0,0,0|1,1,0]=4 10718 B14R1.4 CNc1ccc(cc1)SCCC(=O)C 62a_100000743151_100000053229 [0,2,0,0,0,0|1,1,0]=4 10719 B14R1.4 CNc1ccc(cc1)SCCC(=O)N 62a_100000743151_100000744528 [0,2,0,0,0,0|1,1,0]=4 10720 B14R1.4 CNc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000743151 [0,2,0,0,0,0|1,1,0]=4 10721 B14R1.4 COc1ccc(cc1)CCCC(=O)C 1458a_100000070787_100011740616 [0,2,0,0,0,0|2,0,0]=4 10722 B14R1.4 COc1ccc(cc1)CCCC(=O)C 1458a_100000186216_200000210301 [0,2,0,0,0,0|2,0,0]=4 10723 B14R1.4 COc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000186216_200025704644 [0,2,0,0,0,0|2,0,0]=4 10724 B14R1.4 COc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000742318 [0,2,0,0,0,0|2,0,0]=4 10725 B14R1.4 COc1ccc(cc1)NCCC(=O)N 34a_100000184247_100000731001 [0,2,0,0,0,0|2,0,0]=4 10726 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1458a_100000070787_100000183225 [0,2,0,0,0,0|1,0,0]=3 10727 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1458a_100000182993_200000210301 [0,2,0,0,0,0|1,0,0]=3 10728 B14R1.4 COc1ccc(cc1)OCCC(=O)N 34a_100000210503_100000731001 [0,2,0,0,0,0|1,0,0]=3 10729 B14R1.4 COc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182993_200025704644 [0,2,0,0,0,0|1,0,0]=3 10730 B14R1.4 COc1ccc(cc1)OCCC(C)O 34a_100000210503_100012276601 [0,2,0,0,0,0|1,0,1]=4 10731 B14R1.4 COc1ccc(cc1)OCOC(=O)C 34a_100000210503_100009813279 [0,2,0,0,0,0|2,0,0]=4 10732 B14R1.4 COc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000171711 [0,2,0,0,0,0|1,1,0]=4 10733 B14R1.4 COc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000171711 [0,2,0,0,0,0|1,1,0]=4 10734 B14R1.4 COc1ccc(cn1)OCCC(=O)N 34a_100011934560_100000731001 [0,2,0,0,0,0|2,0,0]=4 10735 B14R1.4 COc1ccc(nc1)OCCC(=O)N 34a_100012002028_100000731001 [0,2,0,0,0,0|2,0,0]=4 10736 B14R1.4 CSc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000181263 [0,2,0,0,0,0|2,0,0]=4 10737 B14R1.4 CSc1ccc(cc1)NCCC(=O)N 34a_100000212337_100000731001 [0,2,0,0,0,0|2,0,0]=4 10738 B14R1.4 CSc1ccc(cc1)OCCC(=O)N 34a_100000211864_100000731001 [0,2,0,0,0,0|1,0,0]=3 10739 B14R1.4 CSc1ccc(cc1)OCCC(C)O 34a_100000211864_100012276601 [0,2,0,0,0,0|1,0,1]=4 10740 B14R1.4 CSc1ccc(cc1)OCOC(=O)C 34a_100000211864_100009813279 [0,2,0,0,0,0|2,0,0]=4 10741 B14R1.4 CSc1ccc(cc1)SCCC(=O)C 62a_100000053229_100011263217 [0,2,0,0,0,0|1,1,0]=4 10742 B14R1.4 CSc1ccc(cc1)SCCC(=O)C 62a_100011263217_100000053229 [0,2,0,0,0,0|1,1,0]=4 10743 B14R1.4 CSc1ccc(cc1)SCCC(=O)N 62a_100000744528_100011263217 [0,2,0,0,0,0|1,1,0]=4 10744 B14R1.4 CSc1ccc(cc1)SCCC(=O)N 62a_100011263217_100000744528 [0,2,0,0,0,0|1,1,0]=4 10745 B14R1.4 N#Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000184898 [0,2,0,0,0,0|2,0,0]=4 10746 B14R1.4 N#Cc1ccc(cc1)NCCC(=O)N 34a_100000185469_100000731001 [0,2,0,0,0,0|2,0,0]=4 10747 B14R1.4 N#Cc1ccc(cc1)OCCC(=O)N 34a_100000210344_100000731001 [0,2,0,0,0,0|1,0,0]=3 10748 B14R1.4 N#Cc1ccc(cc1)OCCC(=O)N 7a_100000210344_100000744528 [0,2,0,0,0,0|1,0,0]=3 10749 B14R1.4 N#Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000184291 [0,2,0,0,0,0|1,1,0]=4 10750 B14R1.4 N#Cc1ccc(cn1)OCCC(=O)N 34a_100011934750_100000731001 [0,2,0,0,0,0|2,0,0]=4 10751 B14R1.4 N#Cc1ccc(cn1)OCCC(=O)N 7a_100011934750_100000744528 [0,2,0,0,0,0|2,0,0]=4 10752 B14R1.4 NC(=O)CCNc1ccc(cc1)CO 2230a_100011215238_100000744528 [0,2,0,0,0,0|2,0,0]=4 10753 B14R1.4 NC(=O)CCNc1ccc(cc1)CO 34a_100011215238_100000731001 [0,2,0,0,0,0|2,0,0]=4 10754 B14R1.4 NC(=O)CCOc1ccc(cc1)CO 34a_100000211755_100000731001 [0,2,0,0,0,0|1,0,0]=3 10755 B14R1.4 NC(=O)CCOc1ccc(nc1)CO 34a_103436540053_100000731001 [0,2,0,0,0,0|2,0,0]=4 10756 B14R1.4 NC(=O)CCSc1ccc(cc1)C=O 62a_100000188517_100000744528 [0,2,0,0,0,0|1,1,0]=4 10757 B14R1.4 NC(=O)CCSc1ccc(cc1)C=O 62a_100000744528_100000188517 [0,2,0,0,0,0|1,1,0]=4 10758 B14R1.4 NC(=O)CCSc1ccc(cc1)CF 62a_100000744528_100010268989 [0,2,0,0,0,0|1,1,0]=4 10759 B14R1.4 NC(=O)CCSc1ccc(cc1)CF 62a_100010268989_100000744528 [0,2,0,0,0,0|1,1,0]=4 10760 B14R1.4 NC(=O)CCSc1ccc(cc1)CO 62a_100000690907_100000744528 [0,2,0,0,0,0|1,1,0]=4 10761 B14R1.4 NC(=O)CCSc1ccc(cc1)CO 62a_100000744528_100000690907 [0,2,0,0,0,0|1,1,0]=4 10762 B14R1.4 NCc1ccc(cc1)OCCC(=O)N 34a_100000185549_100000731001 [0,2,0,0,0,0|1,0,0]=3 10763 B14R1.4 NCc1ccc(cc1)SCCC(=O)N 62a_100000744528_100016989417 [0,2,0,0,0,0|1,1,0]=4 10764 B14R1.4 NCc1ccc(cc1)SCCC(=O)N 62a_100016989417_100000744528 [0,2,0,0,0,0|1,1,0]=4 10765 B14R1.4 NCc1ccc(cn1)OCCC(=O)N 34a_100020605196_100000731001 [0,2,0,0,0,0|2,0,0]=4 10766 B14R1.4 NCc1ccc(nc1)OCCC(=O)N 34a_100000757128_100000731001 [0,2,0,0,0,0|2,0,0]=4 10767 B14R1.4 NNc1ccc(cc1)SCCC(=O)N 62a_100000744528_100016988836 [0,2,0,0,0,0|1,1,0]=4 10768 B14R1.4 NNc1ccc(cc1)SCCC(=O)N 62a_100016988836_100000744528 [0,2,0,0,0,0|1,1,0]=4 10769 B14R1.4 O=C(O)CNCc1ccc(cc1)CO 269956a_100016091260_100000067286 [0,2,0,0,0,0|2,0,0]=4 10770 B14R1.4 O=Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100009816848 [0,2,0,0,0,0|2,0,0]=4 10771 B14R1.4 [13CH3]C(=O)CCOc1ccc(cc1)C#N 1458a_100011194779_200025704644 [0,2,0,0,0,0|1,0,0]=3 10772 B14R1.4 [13CH3]C(=O)CCOc1ccc(cc1)CO 1458a_200011215777_200025704644 [0,2,0,0,0,0|1,0,0]=3 10773 B14R1.13 C#CC(=O)CCCc1ccc(cc1)Br 1458a_100000211873_100011713682 [0,2,0,0,0,0|2,0,0]=4 10774 B14R1.13 C#CC(=O)CCCc1ccc(cc1)Cl 1458a_100000211873_100000759440 [0,2,0,0,0,0|2,0,0]=4 10775 B14R1.13 C#CC(=O)CCCc1ccc(cc1)F 1458a_100000211873_200011713563 [0,2,0,0,0,0|2,0,0]=4 10776 B14R1.13 C#CC(=O)CCOc1ccc(cc1)Br 1458a_100000211873_100000183278 [0,2,0,0,0,0|1,0,0]=3 10777 B14R1.13 C#CC(=O)CCOc1ccc(cc1)C 1458a_100000211873_100000183172 [0,2,0,0,0,0|1,0,0]=3 10778 B14R1.13 C#CC(=O)CCOc1ccc(cc1)Cl 1458a_100000211873_100000184122 [0,2,0,0,0,0|1,0,0]=3 10779 B14R1.13 C#CC(=O)CCOc1ccc(cc1)F 1458a_100000211873_100000184936 [0,2,0,0,0,0|1,0,0]=3 10780 B14R1.13 C=CC(=O)CCCc1ccc(cc1)Br 1458a_100000185746_100011713682 [0,2,0,0,0,0|2,0,0]=4 10781 B14R1.13 C=CC(=O)CCCc1ccc(cc1)Cl 1458a_100000185746_100000759440 [0,2,0,0,0,0|2,0,0]=4 10782 B14R1.13 C=CC(=O)CCCc1ccc(cc1)F 1458a_100000185746_200011713563 [0,2,0,0,0,0|2,0,0]=4 10783 B14R1.13 C=CC(=O)CCOc1ccc(cc1)Br 1458a_100000185746_100000183278 [0,2,0,0,0,0|1,0,0]=3 10784 B14R1.13 C=CC(=O)CCOc1ccc(cc1)C 1458a_100000185746_100000183172 [0,2,0,0,0,0|1,0,0]=3 10785 B14R1.13 C=CC(=O)CCOc1ccc(cc1)Cl 1458a_100000185746_100000184122 [0,2,0,0,0,0|1,0,0]=3 10786 B14R1.13 C=CC(=O)CCOc1ccc(cc1)F 1458a_100000185746_100000184936 [0,2,0,0,0,0|1,0,0]=3 10787 B14R1.13 CCC(=O)CCCc1ccc(cc1)Br 1458a_100000210414_100011713682 [0,2,0,0,0,0|2,0,0]=4 10788 B14R1.13 CCC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_100000210202 [0,2,0,0,0,0|2,0,0]=4 10789 B14R1.13 CCC(=O)CCCc1ccc(cc1)C 1458a_100000741418_100000210202 [0,2,0,0,0,0|2,0,0]=4 10790 B14R1.13 CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000210414_100000759440 [0,2,0,0,0,0|2,0,0]=4 10791 B14R1.13 CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_100000210202 [0,2,0,0,0,0|2,0,0]=4 10792 B14R1.13 CCC(=O)CCCc1ccc(cc1)F 1458a_100000210414_200011713563 [0,2,0,0,0,0|2,0,0]=4 10793 B14R1.13 CCC(=O)CCCc1ccc(cc1)F 1458a_100011219804_100000210202 [0,2,0,0,0,0|2,0,0]=4 10794 B14R1.13 CCC(=O)CCCc1ccc(cc1)I 1458a_100011236544_100000210202 [0,2,0,0,0,0|2,0,0]=4 10795 B14R1.13 CCC(=O)CCCc1ccc(cc1)O 1458a_100000116853_100000210202 [0,2,0,0,0,0|2,0,0]=4 10796 B14R1.13 CCC(=O)CCOc1ccc(cc1)Br 1458a_100000210414_100000183278 [0,2,0,0,0,0|1,0,0]=3 10797 B14R1.13 CCC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_100000210202 [0,2,0,0,0,0|1,0,0]=3 10798 B14R1.13 CCC(=O)CCOc1ccc(cc1)C 1458a_100000182323_100000210202 [0,2,0,0,0,0|1,0,0]=3 10799 B14R1.13 CCC(=O)CCOc1ccc(cc1)C 1458a_100000210414_100000183172 [0,2,0,0,0,0|1,0,0]=3 10800 B14R1.13 CCC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_100000210202 [0,2,0,0,0,0|1,0,0]=3 10801 B14R1.13 CCC(=O)CCOc1ccc(cc1)Cl 1458a_100000210414_100000184122 [0,2,0,0,0,0|1,0,0]=3 10802 B14R1.13 CCC(=O)CCOc1ccc(cc1)F 1458a_100000210414_100000184936 [0,2,0,0,0,0|1,0,0]=3 10803 B14R1.13 CCC(=O)CCOc1ccc(cc1)F 1458a_100000737396_100000210202 [0,2,0,0,0,0|1,0,0]=3 10804 B14R1.13 CCC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_100000210202 [0,2,0,0,0,0|1,1,0]=4 10805 B14R1.13 CCC(=O)CCSc1ccc(cc1)C 1458a_100000182377_100000210202 [0,2,0,0,0,0|1,1,0]=4 10806 B14R1.13 CCC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_100000210202 [0,2,0,0,0,0|1,1,0]=4 10807 B14R1.13 CCC(=O)CCSc1ccc(cc1)F 1458a_100000199091_100000210202 [0,2,0,0,0,0|1,1,0]=4 10808 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 11a_106832991635_100011236545 [0,2,0,0,0,0|2,0,0]=4 10809 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 1626a_100102657272_100011236545 [0,2,0,0,0,0|2,0,0]=4 10810 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 240690a_100102657272_100011236545 [0,2,0,0,0,0|2,0,0]=4 10811 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 527a_100102657272_100011236545 [0,2,0,0,0,0|2,0,0]=4 10812 B14R1.13 CNC(=O)CCCc1ccc(cc1)C 11a_106832991635_100000741418 [0,2,0,0,0,0|2,0,0]=4 10813 B14R1.13 CNC(=O)CCCc1ccc(cc1)C 1626a_100102657272_100000741418 [0,2,0,0,0,0|2,0,0]=4 10814 B14R1.13 CNC(=O)CCCc1ccc(cc1)C 240690a_100102657272_100000741418 [0,2,0,0,0,0|2,0,0]=4 10815 B14R1.13 CNC(=O)CCCc1ccc(cc1)C 527a_100102657272_100000741418 [0,2,0,0,0,0|2,0,0]=4 10816 B14R1.13 CNC(=O)CCCc1ccc(cc1)Cl 11a_106832991635_100000741339 [0,2,0,0,0,0|2,0,0]=4 10817 B14R1.13 CNC(=O)CCCc1ccc(cc1)Cl 1626a_100102657272_100000741339 [0,2,0,0,0,0|2,0,0]=4 10818 B14R1.13 CNC(=O)CCCc1ccc(cc1)Cl 240690a_100102657272_100000741339 [0,2,0,0,0,0|2,0,0]=4 10819 B14R1.13 CNC(=O)CCCc1ccc(cc1)Cl 527a_100102657272_100000741339 [0,2,0,0,0,0|2,0,0]=4 10820 B14R1.13 CNC(=O)CCCc1ccc(cc1)F 11a_106832991635_100011219804 [0,2,0,0,0,0|2,0,0]=4 10821 B14R1.13 CNC(=O)CCCc1ccc(cc1)F 1626a_100102657272_100011219804 [0,2,0,0,0,0|2,0,0]=4 10822 B14R1.13 CNC(=O)CCCc1ccc(cc1)F 240690a_100102657272_100011219804 [0,2,0,0,0,0|2,0,0]=4 10823 B14R1.13 CNC(=O)CCCc1ccc(cc1)F 527a_100102657272_100011219804 [0,2,0,0,0,0|2,0,0]=4 10824 B14R1.13 CNC(=O)CCCc1ccc(cc1)I 11a_106832991635_100011236544 [0,2,0,0,0,0|2,0,0]=4 10825 B14R1.13 CNC(=O)CCCc1ccc(cc1)I 1626a_100102657272_100011236544 [0,2,0,0,0,0|2,0,0]=4 10826 B14R1.13 CNC(=O)CCCc1ccc(cc1)I 240690a_100102657272_100011236544 [0,2,0,0,0,0|2,0,0]=4 10827 B14R1.13 CNC(=O)CCCc1ccc(cc1)I 527a_100102657272_100011236544 [0,2,0,0,0,0|2,0,0]=4 10828 B14R1.13 CNC(=O)CCCc1ccc(cc1)O 240690a_100102657272_100000116853 [0,2,0,0,0,0|2,0,0]=4 10829 B14R1.13 CNC(=O)CCCc1ccc(cc1)O 527a_100102657272_100000116853 [0,2,0,0,0,0|2,0,0]=4 10830 B14R1.13 CNC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000737683 [0,2,0,0,0,0|2,0,0]=4 10831 B14R1.13 CNC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100012179268 [0,2,0,0,0,0|2,0,0]=4 10832 B14R1.13 CNC(=O)CCNc1ccc(cc1)C 34a_100000124888_100012179268 [0,2,0,0,0,0|2,0,0]=4 10833 B14R1.13 CNC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000737683 [0,2,0,0,0,0|2,0,0]=4 10834 B14R1.13 CNC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100012179268 [0,2,0,0,0,0|2,0,0]=4 10835 B14R1.13 CNC(=O)CCNc1ccc(cc1)F 34a_100000185862_100012179268 [0,2,0,0,0,0|2,0,0]=4 10836 B14R1.13 CNC(=O)CCNc1ccc(cc1)I 34a_100000185761_100012179268 [0,2,0,0,0,0|2,0,0]=4 10837 B14R1.13 CNC(=O)CCNc1ccc(cc1)O 34a_100000185829_100012179268 [0,2,0,0,0,0|2,0,0]=4 10838 B14R1.13 CNC(=O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100012179268 [0,2,0,0,0,0|2,0,0]=4 10839 B14R1.13 CNC(=O)CCOc1ccc(cc1)Br 240690a_100102657272_100000738328 [0,2,0,0,0,0|1,0,0]=3 10840 B14R1.13 CNC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100012179268 [0,2,0,0,0,0|1,0,0]=3 10841 B14R1.13 CNC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000737683 [0,2,0,0,0,0|1,0,0]=3 10842 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 11a_106832991635_100000182323 [0,2,0,0,0,0|1,0,0]=3 10843 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 1626a_100102657272_100000182323 [0,2,0,0,0,0|1,0,0]=3 10844 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 240690a_100102657272_100000182323 [0,2,0,0,0,0|1,0,0]=3 10845 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 34a_100000210336_100012179268 [0,2,0,0,0,0|1,0,0]=3 10846 B14R1.13 CNC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000737683 [0,2,0,0,0,0|1,0,0]=3 10847 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 11a_106832991635_100000186438 [0,2,0,0,0,0|1,0,0]=3 10848 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 1626a_100102657272_100000186438 [0,2,0,0,0,0|1,0,0]=3 10849 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 240690a_100102657272_100000186438 [0,2,0,0,0,0|1,0,0]=3 10850 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100012179268 [0,2,0,0,0,0|1,0,0]=3 10851 B14R1.13 CNC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000737683 [0,2,0,0,0,0|1,0,0]=3 10852 B14R1.13 CNC(=O)CCOc1ccc(cc1)F 11a_106832991635_100000737396 [0,2,0,0,0,0|1,0,0]=3 10853 B14R1.13 CNC(=O)CCOc1ccc(cc1)F 1626a_100102657272_100000737396 [0,2,0,0,0,0|1,0,0]=3 10854 B14R1.13 CNC(=O)CCOc1ccc(cc1)F 240690a_100102657272_100000737396 [0,2,0,0,0,0|1,0,0]=3 10855 B14R1.13 CNC(=O)CCOc1ccc(cc1)F 34a_100000210339_100012179268 [0,2,0,0,0,0|1,0,0]=3 10856 B14R1.13 CNC(=O)CCOc1ccc(cc1)I 34a_100000212066_100012179268 [0,2,0,0,0,0|1,0,0]=3 10857 B14R1.13 CNC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000737683 [0,2,0,0,0,0|1,0,0]=3 10858 B14R1.13 CNC(=O)CCOc1ccc(cc1)N 34a_100000185829_100012179268 [0,2,0,0,0,0|1,0,0]=3 10859 B14R1.13 CNC(=O)CCOc1ccc(cn1)C 34a_100000759353_100012179268 [0,2,0,0,0,0|2,0,0]=4 10860 B14R1.13 CNC(=O)CCOc1ccc(cn1)Cl 34a_100011215309_100012179268 [0,2,0,0,0,0|2,0,0]=4 10861 B14R1.13 CNC(=O)CCOc1ccc(cn1)F 34a_100000742473_100012179268 [0,2,0,0,0,0|2,0,0]=4 10862 B14R1.13 CNC(=O)CCOc1ccc(cn1)N 34a_100000729260_100012179268 [0,2,0,0,0,0|2,0,0]=4 10863 B14R1.13 CNC(=O)CCOc1ccc(nc1)Br 34a_100000685995_100012179268 [0,2,0,0,0,0|2,0,0]=4 10864 B14R1.13 CNC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000737683 [0,2,0,0,0,0|2,0,0]=4 10865 B14R1.13 CNC(=O)CCOc1ccc(nc1)C 34a_100000745506_100012179268 [0,2,0,0,0,0|2,0,0]=4 10866 B14R1.13 CNC(=O)CCOc1ccc(nc1)C 7a_100000745506_100000737683 [0,2,0,0,0,0|2,0,0]=4 10867 B14R1.13 CNC(=O)CCOc1ccc(nc1)Cl 34a_100000744096_100012179268 [0,2,0,0,0,0|2,0,0]=4 10868 B14R1.13 CNC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000737683 [0,2,0,0,0,0|2,0,0]=4 10869 B14R1.13 CNC(=O)CCOc1ccc(nc1)F 34a_100000688820_100012179268 [0,2,0,0,0,0|2,0,0]=4 10870 B14R1.13 CNC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000737683 [0,2,0,0,0,0|2,0,0]=4 10871 B14R1.13 CNC(=O)CCOc1ccc(nc1)I 34a_100000687607_100012179268 [0,2,0,0,0,0|2,0,0]=4 10872 B14R1.13 CNC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000737683 [0,2,0,0,0,0|2,0,0]=4 10873 B14R1.13 CNC(=O)CCOc1ccc(nc1)N 34a_100015188713_100012179268 [0,2,0,0,0,0|2,0,0]=4 10874 B14R1.13 CNC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000737683 [0,2,0,0,0,0|2,0,0]=4 10875 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 11a_106832991635_100000208627 [0,2,0,0,0,0|1,1,0]=4 10876 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 240690a_100102657272_100000208627 [0,2,0,0,0,0|1,1,0]=4 10877 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 527a_100102657272_100000208627 [0,2,0,0,0,0|1,1,0]=4 10878 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 62a_100000737683_100000752885 [0,2,0,0,0,0|1,1,0]=4 10879 B14R1.13 CNC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000737683 [0,2,0,0,0,0|1,1,0]=4 10880 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 11a_106832991635_100000182377 [0,2,0,0,0,0|1,1,0]=4 10881 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 1626a_100102657272_100000182377 [0,2,0,0,0,0|1,1,0]=4 10882 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 240690a_100102657272_100000182377 [0,2,0,0,0,0|1,1,0]=4 10883 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000737683 [0,2,0,0,0,0|1,1,0]=4 10884 B14R1.13 CNC(=O)CCSc1ccc(cc1)C 62a_100000737683_100000186775 [0,2,0,0,0,0|1,1,0]=4 10885 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 11a_106832991635_100000182369 [0,2,0,0,0,0|1,1,0]=4 10886 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 1626a_100102657272_100000182369 [0,2,0,0,0,0|1,1,0]=4 10887 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 240690a_100102657272_100000182369 [0,2,0,0,0,0|1,1,0]=4 10888 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 527a_100102657272_100000182369 [0,2,0,0,0,0|1,1,0]=4 10889 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 62a_100000737683_100000755918 [0,2,0,0,0,0|1,1,0]=4 10890 B14R1.13 CNC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000737683 [0,2,0,0,0,0|1,1,0]=4 10891 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 11a_106832991635_100000199091 [0,2,0,0,0,0|1,1,0]=4 10892 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 1626a_100102657272_100000199091 [0,2,0,0,0,0|1,1,0]=4 10893 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 240690a_100102657272_100000199091 [0,2,0,0,0,0|1,1,0]=4 10894 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 527a_100102657272_100000199091 [0,2,0,0,0,0|1,1,0]=4 10895 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000737683 [0,2,0,0,0,0|1,1,0]=4 10896 B14R1.13 CNC(=O)CCSc1ccc(cc1)F 62a_100000737683_100000211213 [0,2,0,0,0,0|1,1,0]=4 10897 B14R1.13 CNC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000737683 [0,2,0,0,0,0|1,1,0]=4 10898 B14R1.13 CNC(=O)CCSc1ccc(cc1)N 62a_100000737683_100000185761 [0,2,0,0,0,0|1,1,0]=4 10899 B14R1.13 CNC(=O)CCSc1ccc(cc1)O 62a_100000737683_100000185759 [0,2,0,0,0,0|1,1,0]=4 10900 B14R1.13 COC(=O)CCCc1ccc(cc1)O 271570a_203496583355_100010209878 [0,2,0,0,0,0|1,0,0]=3 10901 B14R1.13 COC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000204255 [0,2,0,0,0,0|1,0,0]=3 10902 B14R1.13 COC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000742370 [0,2,0,0,0,0|1,0,0]=3 10903 B14R1.13 COC(=O)CCNc1ccc(cc1)C 34a_100000124888_100000742370 [0,2,0,0,0,0|1,0,0]=3 10904 B14R1.13 COC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000204255 [0,2,0,0,0,0|1,0,0]=3 10905 B14R1.13 COC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000742370 [0,2,0,0,0,0|1,0,0]=3 10906 B14R1.13 COC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000742370 [0,2,0,0,0,0|1,0,0]=3 10907 B14R1.13 COC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000742370 [0,2,0,0,0,0|1,0,0]=3 10908 B14R1.13 COC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000742370 [0,2,0,0,0,0|1,0,0]=3 10909 B14R1.13 COC(=O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000742370 [0,2,0,0,0,0|1,0,0]=3 10910 B14R1.13 COC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000742370 [0,2,0,0,0,0|0,0,0]=2 10911 B14R1.13 COC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000204255 [0,2,0,0,0,0|0,0,0]=2 10912 B14R1.13 COC(=O)CCOc1ccc(cc1)C 34a_100000210336_100000742370 [0,2,0,0,0,0|0,0,0]=2 10913 B14R1.13 COC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000204255 [0,2,0,0,0,0|0,0,0]=2 10914 B14R1.13 COC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000742370 [0,2,0,0,0,0|0,0,0]=2 10915 B14R1.13 COC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000204255 [0,2,0,0,0,0|0,0,0]=2 10916 B14R1.13 COC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000742370 [0,2,0,0,0,0|0,0,0]=2 10917 B14R1.13 COC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000742370 [0,2,0,0,0,0|0,0,0]=2 10918 B14R1.13 COC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000204255 [0,2,0,0,0,0|0,0,0]=2 10919 B14R1.13 COC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000742370 [0,2,0,0,0,0|0,0,0]=2 10920 B14R1.13 COC(=O)CCOc1ccc(cn1)C 34a_100000759353_100000742370 [0,2,0,0,0,0|1,0,0]=3 10921 B14R1.13 COC(=O)CCOc1ccc(cn1)Cl 34a_100011215309_100000742370 [0,2,0,0,0,0|1,0,0]=3 10922 B14R1.13 COC(=O)CCOc1ccc(cn1)F 34a_100000742473_100000742370 [0,2,0,0,0,0|1,0,0]=3 10923 B14R1.13 COC(=O)CCOc1ccc(cn1)N 34a_100000729260_100000742370 [0,2,0,0,0,0|1,0,0]=3 10924 B14R1.13 COC(=O)CCOc1ccc(nc1)Br 34a_100000685995_100000742370 [0,2,0,0,0,0|1,0,0]=3 10925 B14R1.13 COC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000204255 [0,2,0,0,0,0|1,0,0]=3 10926 B14R1.13 COC(=O)CCOc1ccc(nc1)C 34a_100000745506_100000742370 [0,2,0,0,0,0|1,0,0]=3 10927 B14R1.13 COC(=O)CCOc1ccc(nc1)C 7a_100000745506_100000204255 [0,2,0,0,0,0|1,0,0]=3 10928 B14R1.13 COC(=O)CCOc1ccc(nc1)Cl 34a_100000744096_100000742370 [0,2,0,0,0,0|1,0,0]=3 10929 B14R1.13 COC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000204255 [0,2,0,0,0,0|1,0,0]=3 10930 B14R1.13 COC(=O)CCOc1ccc(nc1)F 34a_100000688820_100000742370 [0,2,0,0,0,0|1,0,0]=3 10931 B14R1.13 COC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000204255 [0,2,0,0,0,0|1,0,0]=3 10932 B14R1.13 COC(=O)CCOc1ccc(nc1)I 34a_100000687607_100000742370 [0,2,0,0,0,0|1,0,0]=3 10933 B14R1.13 COC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000204255 [0,2,0,0,0,0|1,0,0]=3 10934 B14R1.13 COC(=O)CCOc1ccc(nc1)N 34a_100015188713_100000742370 [0,2,0,0,0,0|1,0,0]=3 10935 B14R1.13 COC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000204255 [0,2,0,0,0,0|1,0,0]=3 10936 B14R1.13 COC(=O)CCOc1cnc(cn1)Br 34a_100011934580_100000742370 [0,2,0,0,0,0|2,0,0]=4 10937 B14R1.13 COC(=O)CCOc1cnc(cn1)Cl 34a_100015839800_100000742370 [0,2,0,0,0,0|2,0,0]=4 10938 B14R1.13 COC(=O)CCOc1cnc(nc1)Br 34a_100000730009_100000742370 [0,2,0,0,0,0|2,0,0]=4 10939 B14R1.13 COC(=O)CCOc1cnc(nc1)Br 7a_100000730009_100000204255 [0,2,0,0,0,0|2,0,0]=4 10940 B14R1.13 COC(=O)CCOc1cnc(nc1)C 34a_100000062939_100000742370 [0,2,0,0,0,0|2,0,0]=4 10941 B14R1.13 COC(=O)CCOc1cnc(nc1)C 7a_100000062939_100000204255 [0,2,0,0,0,0|2,0,0]=4 10942 B14R1.13 COC(=O)CCOc1cnc(nc1)Cl 34a_100000092845_100000742370 [0,2,0,0,0,0|2,0,0]=4 10943 B14R1.13 COC(=O)CCOc1cnc(nc1)Cl 7a_100000092845_100000204255 [0,2,0,0,0,0|2,0,0]=4 10944 B14R1.13 COC(=O)CCOc1cnc(nc1)F 34a_200009874573_100000742370 [0,2,0,0,0,0|2,0,0]=4 10945 B14R1.13 COC(=O)CCOc1cnc(nc1)F 7a_200009874573_100000204255 [0,2,0,0,0,0|2,0,0]=4 10946 B14R1.13 COC(=O)CCOc1cnc(nc1)N 34a_100000087137_100000742370 [0,2,0,0,0,0|2,0,0]=4 10947 B14R1.13 COC(=O)CCOc1cnc(nc1)N 7a_100000087137_100000204255 [0,2,0,0,0,0|2,0,0]=4 10948 B14R1.13 COC(=O)CCOc1ncc(cn1)F 34a_100011934040_100000742370 [0,2,0,0,0,0|2,0,0]=4 10949 B14R1.13 COC(=O)CCSc1cc[n+](cc1)[O-] 62a_100000204255_100000039755 [0,2,0,0,0,0|1,1,0]=4 10950 B14R1.13 COC(=O)CCSc1ccc(=O)[nH]c1 62a_100000204255_100000212171 [0,2,0,0,0,0|1,1,0]=4 10951 B14R1.13 COC(=O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100000204255 [0,2,0,0,0,0|1,1,0]=4 10952 B14R1.13 COC(=O)CCSc1ccc(cc1)Br 62a_100000204255_100000752885 [0,2,0,0,0,0|0,1,0]=3 10953 B14R1.13 COC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000204255 [0,2,0,0,0,0|0,1,0]=3 10954 B14R1.13 COC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000204255 [0,2,0,0,0,0|0,1,0]=3 10955 B14R1.13 COC(=O)CCSc1ccc(cc1)C 62a_100000204255_100000186775 [0,2,0,0,0,0|0,1,0]=3 10956 B14R1.13 COC(=O)CCSc1ccc(cc1)Cl 62a_100000204255_100000755918 [0,2,0,0,0,0|0,1,0]=3 10957 B14R1.13 COC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000204255 [0,2,0,0,0,0|0,1,0]=3 10958 B14R1.13 COC(=O)CCSc1ccc(cc1)F 62a_100000204255_100000211213 [0,2,0,0,0,0|0,1,0]=3 10959 B14R1.13 COC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000204255 [0,2,0,0,0,0|0,1,0]=3 10960 B14R1.13 COC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000204255 [0,2,0,0,0,0|0,1,0]=3 10961 B14R1.13 COC(=O)CCSc1ccc(cc1)N 62a_100000204255_100000185761 [0,2,0,0,0,0|0,1,0]=3 10962 B14R1.13 COC(=O)CCSc1ccc(cc1)O 62a_100000204255_100000185759 [0,2,0,0,0,0|0,1,0]=3 10963 B14R1.13 COC(=O)CCSc1ccc(cn1)Br 62a_100000204255_100000686858 [0,2,0,0,0,0|1,1,0]=4 10964 B14R1.13 COC(=O)CCSc1ccc(cn1)Br 62a_100000686858_100000204255 [0,2,0,0,0,0|1,1,0]=4 10965 B14R1.13 COC(=O)CCSc1ccc(cn1)C 62a_100000204255_100000754016 [0,2,0,0,0,0|1,1,0]=4 10966 B14R1.13 COC(=O)CCSc1ccc(cn1)C 62a_100011192072_100000204255 [0,2,0,0,0,0|1,1,0]=4 10967 B14R1.13 COC(=O)CCSc1ccc(cn1)Cl 62a_100000204255_100011356976 [0,2,0,0,0,0|1,1,0]=4 10968 B14R1.13 COC(=O)CCSc1ccc(cn1)Cl 62a_100011356976_100000204255 [0,2,0,0,0,0|1,1,0]=4 10969 B14R1.13 COC(=O)CCSc1ccc(cn1)F 62a_100000204255_100000744514 [0,2,0,0,0,0|1,1,0]=4 10970 B14R1.13 COC(=O)CCSc1ccc(cn1)F 62a_100000744514_100000204255 [0,2,0,0,0,0|1,1,0]=4 10971 B14R1.13 COC(=O)CCSc1ccc(cn1)N 62a_100000204255_100000737798 [0,2,0,0,0,0|1,1,0]=4 10972 B14R1.13 COC(=O)CCSc1ccc(cn1)N 62a_100000737798_100000204255 [0,2,0,0,0,0|1,1,0]=4 10973 B14R1.13 COC(=O)CCSc1ccc(cn1)O 62a_100000204255_100000744096 [0,2,0,0,0,0|1,1,0]=4 10974 B14R1.13 COC(=O)CCSc1ccc(cn1)O 62a_100000685995_100000204255 [0,2,0,0,0,0|1,1,0]=4 10975 B14R1.13 COC(=O)CCSc1ccc(nc1)Br 62a_100000204255_100009814638 [0,2,0,0,0,0|1,1,0]=4 10976 B14R1.13 COC(=O)CCSc1ccc(nc1)Br 62a_100009814638_100000204255 [0,2,0,0,0,0|1,1,0]=4 10977 B14R1.13 COC(=O)CCSc1ccc(nc1)C 62a_100000204255_100000751577 [0,2,0,0,0,0|1,1,0]=4 10978 B14R1.13 COC(=O)CCSc1ccc(nc1)C 62a_100000751577_100000204255 [0,2,0,0,0,0|1,1,0]=4 10979 B14R1.13 COC(=O)CCSc1ccc(nc1)Cl 62a_100000034144_100000204255 [0,2,0,0,0,0|1,1,0]=4 10980 B14R1.13 COC(=O)CCSc1ccc(nc1)Cl 62a_100000204255_100000034144 [0,2,0,0,0,0|1,1,0]=4 10981 B14R1.13 COC(=O)CCSc1ccc(nc1)F 62a_100000042367_100000204255 [0,2,0,0,0,0|1,1,0]=4 10982 B14R1.13 COC(=O)CCSc1ccc(nc1)F 62a_100000204255_100000042367 [0,2,0,0,0,0|1,1,0]=4 10983 B14R1.13 COC(=O)CCSc1ccc(nc1)N 62a_100000187370_100000204255 [0,2,0,0,0,0|1,1,0]=4 10984 B14R1.13 COC(=O)CCSc1ccc(nc1)N 62a_100000204255_100000187370 [0,2,0,0,0,0|1,1,0]=4 10985 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747449 [0,2,0,0,0,0|2,0,0]=4 10986 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000747449 [0,2,0,0,0,0|2,0,0]=4 10987 B14R1.13 COC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000747449 [0,2,0,0,0,0|2,0,0]=4 10988 B14R1.13 COC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000747449 [0,2,0,0,0,0|2,0,0]=4 10989 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747449 [0,2,0,0,0,0|2,0,0]=4 10990 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000747449 [0,2,0,0,0,0|2,0,0]=4 10991 B14R1.13 COC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747449 [0,2,0,0,0,0|2,0,0]=4 10992 B14R1.13 COC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000747449 [0,2,0,0,0,0|2,0,0]=4 10993 B14R1.13 COC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747449 [0,2,0,0,0,0|2,0,0]=4 10994 B14R1.13 COC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000747449 [0,2,0,0,0,0|2,0,0]=4 10995 B14R1.13 COC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000747449 [0,2,0,0,0,0|2,0,0]=4 10996 B14R1.13 COC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000747449 [0,2,0,0,0,0|2,0,0]=4 10997 B14R1.13 COC(=O)COCc1ccc(cc1)C 34a_100011215236_100000747449 [0,2,0,0,0,0|2,0,0]=4 10998 B14R1.13 COC(=O)COCc1ccc(cc1)C 7a_100011215236_100000747449 [0,2,0,0,0,0|2,0,0]=4 10999 B14R1.13 COC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000747449 [0,2,0,0,0,0|2,0,0]=4 11000 B14R1.13 COC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000747449 [0,2,0,0,0,0|2,0,0]=4 11001 B14R1.13 COC(=O)COCc1ccc(cc1)F 34a_100000210977_100000747449 [0,2,0,0,0,0|2,0,0]=4 11002 B14R1.13 COC(=O)COCc1ccc(cc1)F 7a_100000210977_100000747449 [0,2,0,0,0,0|2,0,0]=4 11003 B14R1.13 COC(=O)COCc1ccc(cc1)I 34a_100000690907_100000747449 [0,2,0,0,0,0|2,0,0]=4 11004 B14R1.13 COC(=O)COCc1ccc(cc1)I 7a_100000690907_100000747449 [0,2,0,0,0,0|2,0,0]=4 11005 B14R1.13 COC(=O)COCc1ccc(cc1)N 34a_100011215238_100000747449 [0,2,0,0,0,0|2,0,0]=4 11006 B14R1.13 COC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747449 [0,2,0,0,0,0|2,0,0]=4 11007 B14R1.13 COC(=O)CSCc1ccc(cc1)Br 62a_100000747449_100000189115 [0,2,0,0,0,0|2,0,0]=4 11008 B14R1.13 COC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000747449 [0,2,0,0,0,0|2,0,0]=4 11009 B14R1.13 COC(=O)CSCc1ccc(cc1)C 62a_100000747449_100000210814 [0,2,0,0,0,0|2,0,0]=4 11010 B14R1.13 COC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747449 [0,2,0,0,0,0|2,0,0]=4 11011 B14R1.13 COC(=O)CSCc1ccc(cc1)Cl 62a_100000747449_100000187161 [0,2,0,0,0,0|2,0,0]=4 11012 B14R1.13 COC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747449 [0,2,0,0,0,0|2,0,0]=4 11013 B14R1.13 COC(=O)CSCc1ccc(cc1)F 62a_100000747449_100000187164 [0,2,0,0,0,0|2,0,0]=4 11014 B14R1.13 COC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747449 [0,2,0,0,0,0|2,0,0]=4 11015 B14R1.13 COC(=O)CSCc1ccc(cc1)I 62a_100000747449_100000189116 [0,2,0,0,0,0|2,0,0]=4 11016 B14R1.13 COC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000139417 [0,2,0,0,0,0|1,1,0]=4 11017 B14R1.13 COC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000139417 [0,2,0,0,0,0|1,1,0]=4 11018 B14R1.13 COC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000139417 [0,2,0,0,0,0|1,1,0]=4 11019 B14R1.13 COC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000139417 [0,2,0,0,0,0|1,1,0]=4 11020 B14R1.13 COC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000139417 [0,2,0,0,0,0|1,1,0]=4 11021 B14R1.13 Cc1ccc(cc1)CCCC(=O)CF 1458a_100000741418_100015361967 [0,2,0,0,0,0|2,0,0]=4 11022 B14R1.13 Cc1ccc(cc1)CCNC(=O)CO 240690a_100000705350_100000210174 [0,2,0,0,0,0|2,0,0]=4 11023 B14R1.13 Cc1ccc(cc1)CCNC(=O)CO 527a_100000705350_100000210174 [0,2,0,0,0,0|2,0,0]=4 11024 B14R1.13 Cc1ccc(cc1)OCCC(=O)CF 1458a_100000182323_100015361967 [0,2,0,0,0,0|1,0,0]=3 11025 B14R1.13 Cc1ccc(cc1)OCCC(=O)CO 1458a_100000210174_100000183172 [0,2,0,0,0,0|0,0,0]=2 11026 B14R1.13 Cc1ccc(cc1)SCCC(=O)CF 1458a_100000182377_100015361967 [0,2,0,0,0,0|1,1,0]=4 11027 B14R1.13 O=C(CF)CCCc1ccc(cc1)Br 1458a_100011236545_100015361967 [0,2,0,0,0,0|2,0,0]=4 11028 B14R1.13 O=C(CF)CCCc1ccc(cc1)Cl 1458a_100000741339_100015361967 [0,2,0,0,0,0|2,0,0]=4 11029 B14R1.13 O=C(CF)CCCc1ccc(cc1)F 1458a_100011219804_100015361967 [0,2,0,0,0,0|2,0,0]=4 11030 B14R1.13 O=C(CF)CCCc1ccc(cc1)I 1458a_100011236544_100015361967 [0,2,0,0,0,0|2,0,0]=4 11031 B14R1.13 O=C(CF)CCCc1ccc(cc1)O 1458a_100000116853_100015361967 [0,2,0,0,0,0|2,0,0]=4 11032 B14R1.13 O=C(CF)CCOc1ccc(cc1)Br 1458a_100000738328_100015361967 [0,2,0,0,0,0|1,0,0]=3 11033 B14R1.13 O=C(CF)CCOc1ccc(cc1)Cl 1458a_100000186438_100015361967 [0,2,0,0,0,0|1,0,0]=3 11034 B14R1.13 O=C(CF)CCOc1ccc(cc1)F 1458a_100000737396_100015361967 [0,2,0,0,0,0|1,0,0]=3 11035 B14R1.13 O=C(CF)CCSc1ccc(cc1)Br 1458a_100000208627_100015361967 [0,2,0,0,0,0|1,1,0]=4 11036 B14R1.13 O=C(CF)CCSc1ccc(cc1)Cl 1458a_100000182369_100015361967 [0,2,0,0,0,0|1,1,0]=4 11037 B14R1.13 O=C(CF)CCSc1ccc(cc1)F 1458a_100000199091_100015361967 [0,2,0,0,0,0|1,1,0]=4 11038 B14R1.13 O=C(CO)CC#Cc1ccc(cc1)Br 1458a_100000210174_100010706785 [0,2,0,0,0,0|1,0,1]=4 11039 B14R1.13 O=C(CO)CC#Cc1ccc(cc1)F 1458a_100000210174_100010402171 [0,2,0,0,0,0|1,0,1]=4 11040 B14R1.13 O=C(CO)CCCc1ccc(cc1)Br 1458a_100000210174_100011713682 [0,2,0,0,0,0|1,0,0]=3 11041 B14R1.13 O=C(CO)CCCc1ccc(cc1)Cl 1458a_100000210174_100000759440 [0,2,0,0,0,0|1,0,0]=3 11042 B14R1.13 O=C(CO)CCCc1ccc(cc1)F 1458a_100000210174_200011713563 [0,2,0,0,0,0|1,0,0]=3 11043 B14R1.13 O=C(CO)CCOc1ccc(cc1)Br 1458a_100000210174_100000183278 [0,2,0,0,0,0|0,0,0]=2 11044 B14R1.13 O=C(CO)CCOc1ccc(cc1)Cl 1458a_100000210174_100000184122 [0,2,0,0,0,0|0,0,0]=2 11045 B14R1.13 O=C(CO)CCOc1ccc(cc1)F 1458a_100000210174_100000184936 [0,2,0,0,0,0|0,0,0]=2 11046 B14R1.13 O=C(CO)NCCc1ccc(cc1)Br 240690a_100000755846_100000210174 [0,2,0,0,0,0|2,0,0]=4 11047 B14R1.13 O=C(CO)NCCc1ccc(cc1)Br 527a_100000755846_100000210174 [0,2,0,0,0,0|2,0,0]=4 11048 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl 240690a_100000185265_100000210174 [0,2,0,0,0,0|2,0,0]=4 11049 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl 527a_100000185265_100000210174 [0,2,0,0,0,0|2,0,0]=4 11050 B14R1.13 O=C(CO)NCCc1ccc(cc1)F 240690a_100000199005_100000210174 [0,2,0,0,0,0|2,0,0]=4 11051 B14R1.13 O=C(CO)NCCc1ccc(cc1)F 527a_100000199005_100000210174 [0,2,0,0,0,0|2,0,0]=4 11052 B14R1.13 O=C(CO)NCCc1ccc(cc1)O 240690a_100000743037_100000210174 [0,2,0,0,0,0|2,0,0]=4 11053 B14R1.13 O=C(CO)NCCc1ccc(cc1)O 527a_100000743037_100000210174 [0,2,0,0,0,0|2,0,0]=4 11054 B14R1.131 CC(C)(O)CCOc1ccc(cc1)Br 34a_100000185759_100000702414 [0,2,0,0,0,0|1,0,1]=4 11055 B14R1.131 CC(C)(O)CCOc1ccc(cc1)Br 7a_100000185759_100000702414 [0,2,0,0,0,0|1,0,1]=4 11056 B14R1.131 CC(C)(O)CCOc1ccc(cc1)Cl 34a_100000210216_100000702414 [0,2,0,0,0,0|1,0,1]=4 11057 B14R1.131 CC(C)(O)CCOc1ccc(cc1)Cl 7a_100000210216_100000702414 [0,2,0,0,0,0|1,0,1]=4 11058 B14R1.131 CC(C)(O)CCOc1ccc(cc1)F 34a_100000210339_100000702414 [0,2,0,0,0,0|1,0,1]=4 11059 B14R1.131 CC(C)(O)CCOc1ccc(cc1)I 34a_100000212066_100000702414 [0,2,0,0,0,0|1,0,1]=4 11060 B14R1.131 CC(C)(O)CCOc1ccc(cc1)I 7a_100000212066_100000702414 [0,2,0,0,0,0|1,0,1]=4 11061 B14R1.131 CC(C)(O)CCOc1ccc(cc1)N 34a_100000185829_100000702414 [0,2,0,0,0,0|1,0,1]=4 11062 B14R1.131 CS(=O)(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731031 [0,2,0,0,0,0|1,0,1]=4 11063 B14R1.131 CS(=O)(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000230027 [0,2,0,0,0,0|1,0,1]=4 11064 B14R1.131 CS(=O)(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731031 [0,2,0,0,0,0|1,0,1]=4 11065 B14R1.131 CS(=O)(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000230027 [0,2,0,0,0,0|1,0,1]=4 11066 B14R1.131 CS(=O)(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731031 [0,2,0,0,0,0|1,0,1]=4 11067 B14R1.131 CS(=O)(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731031 [0,2,0,0,0,0|1,0,1]=4 11068 B14R1.131 CS(=O)(=O)CCOc1ccc(cc1)I 7a_100000212066_100000230027 [0,2,0,0,0,0|1,0,1]=4 11069 B14R1.131 CS(=O)(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731031 [0,2,0,0,0,0|1,0,1]=4 11070 B14R1.131 Cc1ccc(cc1)OCCC(C)(C)O 34a_100000210336_100000702414 [0,2,0,0,0,0|1,0,1]=4 11071 B14R1.131 Cc1ccc(cc1)OCCC(C)(C)O 7a_100000210336_100000702414 [0,2,0,0,0,0|1,0,1]=4 11072 B14R1.131 Cc1ccc(cc1)OCCS(=O)(=O)C 34a_100000210336_100000731031 [0,2,0,0,0,0|1,0,1]=4 11073 B14R1.131 Cc1ccc(cc1)OCCS(=O)(=O)C 7a_100000210336_100000230027 [0,2,0,0,0,0|1,0,1]=4 11074 B14R1.131 Cc1ccc(cc1)OCCS(=O)(=O)[O-] 34a_100000210336_100000762736 [0,2,0,0,0,0|1,0,1]=4 11075 B14R1.131 Nc1ccc(cc1)OCCS(=O)(=O)[O-] 34a_100000185829_100000762736 [0,2,0,0,0,0|1,0,1]=4 11076 B14R1.131 O=S(=O)([O-])CCOc1ccc(cc1)Br 34a_100000185759_100000762736 [0,2,0,0,0,0|1,0,1]=4 11077 B14R1.131 O=S(=O)([O-])CCOc1ccc(cc1)Cl 34a_100000210216_100000762736 [0,2,0,0,0,0|1,0,1]=4 11078 B14R1.131 O=S(=O)([O-])CCOc1ccc(cc1)F 34a_100000210339_100000762736 [0,2,0,0,0,0|1,0,1]=4 11079 B14R1.131 O=S(=O)([O-])CCOc1ccc(cc1)I 34a_100000212066_100000762736 [0,2,0,0,0,0|1,0,1]=4 11080 B14R1.292 CCS(=O)(=O)CCOc1ccccc1 34a_100000210340_100000756660 [0,2,0,0,0,0|1,0,1]=4 11081 B14R1.292 CCS(=O)(=O)CCOc1ccccc1 7a_100000210340_100000756660 [0,2,0,0,0,0|1,0,1]=4 11082 B14R1.292 CNS(=O)(=O)CCOc1ccccc1 270084a_100102657272_100000750344 [0,2,0,0,0,0|1,0,1]=4 11083 B14R1.292 CNS(=O)(=O)CCOc1ccccc1 274078a_100102657272_100000750344 [0,2,0,0,0,0|1,0,1]=4 11084 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011207963_100000184674 [0,2,0,0,0,0|2,0,0]=4 11085 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011220946_100000211621 [0,2,0,0,0,0|2,0,0]=4 11086 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100000182761_100000184674 [0,2,0,0,0,0|1,0,0]=3 11087 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100011220946_100000184471 [0,2,0,0,0,0|1,0,0]=3 11088 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100000182436_100000184674 [0,2,0,0,0,0|1,1,0]=4 11089 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100011220946_100000246102 [0,2,0,0,0,0|1,1,0]=4 11090 B14R1.520 C=CCC(=O)CCCc1ccccc1 1458a_100000210193_100000211621 [0,2,0,0,0,0|2,0,0]=4 11091 B14R1.520 C=CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210623 [0,2,0,0,0,0|2,0,0]=4 11092 B14R1.520 C=CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210623 [0,2,0,0,0,0|1,0,0]=3 11093 B14R1.520 C=CCC(=O)CCOc1ccccc1 1458a_100000210193_100000184471 [0,2,0,0,0,0|1,0,0]=3 11094 B14R1.520 C=CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210623 [0,2,0,0,0,0|1,1,0]=4 11095 B14R1.520 C=CCC(=O)CCSc1ccccc1 1458a_100000210193_100000246102 [0,2,0,0,0,0|1,1,0]=4 11096 B14R1.520 C=COC(=O)CNCc1ccccc1 2230a_100015324214_100000036128 [0,2,0,0,0,0|2,0,0]=4 11097 B14R1.520 C=COC(=O)CNCc1ccccc1 34a_100015324214_100000036128 [0,2,0,0,0,0|2,0,0]=4 11098 B14R1.520 C=COC(=O)COCc1ccccc1 34a_100000210790_100000036128 [0,2,0,0,0,0|2,0,0]=4 11099 B14R1.520 C=COC(=O)CSCc1ccccc1 62a_100000036128_100015291786 [0,2,0,0,0,0|2,0,0]=4 11100 B14R1.520 C=COC(=O)CSCc1ccccc1 62a_100000211182_100000036128 [0,2,0,0,0,0|2,0,0]=4 11101 B14R1.520 CC#CC(=O)CCCc1ccccc1 1458a_100000763181_100000211621 [0,2,0,0,0,0|2,0,0]=4 11102 B14R1.520 CC#CC(=O)CCOc1ccccc1 1458a_100000763181_100000184471 [0,2,0,0,0,0|1,0,0]=3 11103 B14R1.520 CC#CC(=O)CCSc1ccccc1 1458a_100000763181_100000246102 [0,2,0,0,0,0|1,1,0]=4 11104 B14R1.520 CC=CC(=O)CCCc1ccccc1 1458a_100000210699_100000211621 [0,2,0,0,0,0|2,0,0]=4 11105 B14R1.520 CC=CC(=O)CCOc1ccccc1 1458a_100000210699_100000184471 [0,2,0,0,0,0|1,0,0]=3 11106 B14R1.520 CC=CC(=O)CCSc1ccccc1 1458a_100000210699_100000246102 [0,2,0,0,0,0|1,1,0]=4 11107 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [0,2,0,0,0,0|2,0,0]=4 11108 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [0,2,0,0,0,0|2,0,0]=4 11109 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000182761_100000210303 [0,2,0,0,0,0|1,0,0]=3 11110 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000211992_100000184471 [0,2,0,0,0,0|1,0,0]=3 11111 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000182436_100000210303 [0,2,0,0,0,0|1,1,0]=4 11112 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000211992_100000246102 [0,2,0,0,0,0|1,1,0]=4 11113 B14R1.520 CCCC(=O)OCOc1ccccc1 34a_100000210340_100000034017 [0,2,0,0,0,0|2,0,0]=4 11114 B14R1.520 CCNC(=O)CCCc1ccccc1 11a_100015525214_100011207963 [0,2,0,0,0,0|2,0,0]=4 11115 B14R1.520 CCNC(=O)CCCc1ccccc1 240690a_100015525214_100011207963 [0,2,0,0,0,0|2,0,0]=4 11116 B14R1.520 CCNC(=O)CCCc1ccccc1 527a_100015525214_100011207963 [0,2,0,0,0,0|2,0,0]=4 11117 B14R1.520 CCNC(=O)CCOc1ccccc1 11a_100015525214_100000182761 [0,2,0,0,0,0|1,0,0]=3 11118 B14R1.520 CCNC(=O)CCOc1ccccc1 240690a_100015525214_100000182761 [0,2,0,0,0,0|1,0,0]=3 11119 B14R1.520 CCNC(=O)CCOc1ccccc1 7a_100000210340_100000737597 [0,2,0,0,0,0|1,0,0]=3 11120 B14R1.520 CCNC(=O)CCOc1cccnc1 7a_100000210849_100000737597 [0,2,0,0,0,0|2,0,0]=4 11121 B14R1.520 CCNC(=O)CCSc1ccccc1 11a_100015525214_100000182436 [0,2,0,0,0,0|1,1,0]=4 11122 B14R1.520 CCNC(=O)CCSc1ccccc1 240690a_100015525214_100000182436 [0,2,0,0,0,0|1,1,0]=4 11123 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000719477_100000737597 [0,2,0,0,0,0|1,1,0]=4 11124 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000737597_100000041952 [0,2,0,0,0,0|1,1,0]=4 11125 B14R1.520 CCOC(=O)CCNc1ccccc1 34a_100000106764_100000765890 [0,2,0,0,0,0|1,0,0]=3 11126 B14R1.520 CCOC(=O)CCOc1ccccc1 34a_100000210340_100000765890 [0,2,0,0,0,0|0,0,0]=2 11127 B14R1.520 CCOC(=O)CCOc1ccccc1 7a_100000210340_100011206558 [0,2,0,0,0,0|0,0,0]=2 11128 B14R1.520 CCOC(=O)CCOc1cccnc1 34a_100000210849_100000765890 [0,2,0,0,0,0|1,0,0]=3 11129 B14R1.520 CCOC(=O)CCOc1cccnc1 7a_100000210849_100011206558 [0,2,0,0,0,0|1,0,0]=3 11130 B14R1.520 CCOC(=O)CCOc1ccncc1 34a_100000212176_100000765890 [0,2,0,0,0,0|1,0,0]=3 11131 B14R1.520 CCOC(=O)CCOc1ccnnc1 34a_100015204005_100000765890 [0,2,0,0,0,0|2,0,0]=4 11132 B14R1.520 CCOC(=O)CCOc1cncnc1 7a_100000754086_100011206558 [0,2,0,0,0,0|2,0,0]=4 11133 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000719477_100000765890 [0,2,0,0,0,0|0,1,0]=3 11134 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000765890_100000041952 [0,2,0,0,0,0|0,1,0]=3 11135 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100000765890_100011216584 [0,2,0,0,0,0|1,1,0]=4 11136 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100011216584_100000765890 [0,2,0,0,0,0|1,1,0]=4 11137 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000210063_100000765890 [0,2,0,0,0,0|1,1,0]=4 11138 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000765890_100000210063 [0,2,0,0,0,0|1,1,0]=4 11139 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000728582_100000765890 [0,2,0,0,0,0|1,1,0]=4 11140 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000765890_100000728582 [0,2,0,0,0,0|1,1,0]=4 11141 B14R1.520 CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000188475 [0,2,0,0,0,0|2,0,0]=4 11142 B14R1.520 CCOC(=O)CNCc1ccccc1 34a_100015324214_100000188475 [0,2,0,0,0,0|2,0,0]=4 11143 B14R1.520 CCOC(=O)COCc1ccccc1 34a_100000210790_100000188475 [0,2,0,0,0,0|2,0,0]=4 11144 B14R1.520 CCOC(=O)COCc1ccccc1 7a_100000210790_100000188475 [0,2,0,0,0,0|2,0,0]=4 11145 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000188475_100015291786 [0,2,0,0,0,0|2,0,0]=4 11146 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000211182_100000188475 [0,2,0,0,0,0|2,0,0]=4 11147 B14R1.520 CCOC(=O)OCSc1ccccc1 62a_100000719477_100000075025 [0,2,0,0,0,0|1,1,0]=4 11148 B14R1.520 CN(CC=O)CCOc1ccccc1 2230a_100000184383_200015260668 [0,2,0,0,0,0|2,0,0]=4 11149 B14R1.520 CN(CC=O)CCOc1ccccc1 269982a_100000184383_200015260668 [0,2,0,0,0,0|2,0,0]=4 11150 B14R1.520 CN(CCO)CCOc1ccccc1 2230a_100000184383_100000211926 [0,2,0,0,0,0|2,0,0]=4 11151 B14R1.520 CN(CCO)CCOc1ccccc1 2230a_100000210263_100000184471 [0,2,0,0,0,0|2,0,0]=4 11152 B14R1.520 CN(CCO)CCOc1ccccc1 269982a_100000184383_100000211926 [0,2,0,0,0,0|2,0,0]=4 11153 B14R1.520 CN(CCO)CCOc1ccccc1 269982a_100000210263_100000184471 [0,2,0,0,0,0|2,0,0]=4 11154 B14R1.520 CN(CCO)CCOc1ccccc1 270004a_100000210263_100000758736 [0,2,0,0,0,0|2,0,0]=4 11155 B14R1.520 CNNC(=O)CCCc1ccccc1 22a_100016993582_100011207963 [0,2,0,0,0,0|2,0,0]=4 11156 B14R1.520 CNNC(=O)CCOc1ccccc1 22a_100016993582_100000182761 [0,2,0,0,0,0|1,0,0]=3 11157 B14R1.520 CNNC(=O)CCSc1ccccc1 22a_100016993582_100000182436 [0,2,0,0,0,0|1,1,0]=4 11158 B14R1.520 COCC(=O)C/C=C/c1ccccc1 1458a_100000210968_100016265936 [0,2,0,0,0,0|1,0,1]=4 11159 B14R1.520 COCC(=O)CC#Cc1ccccc1 1458a_100000210968_100011352542 [0,2,0,0,0,0|1,0,1]=4 11160 B14R1.520 COCC(=O)CCCc1ccccc1 1458a_100000210968_100000211621 [0,2,0,0,0,0|1,0,0]=3 11161 B14R1.520 COCC(=O)CCOc1ccccc1 1458a_100000210968_100000184471 [0,2,0,0,0,0|0,0,0]=2 11162 B14R1.520 COCC(=O)CCSc1ccccc1 1458a_100000210968_100000246102 [0,2,0,0,0,0|0,1,0]=3 11163 B14R1.520 COCC(=O)CSCc1ccccc1 1458a_100000210968_200011217039 [0,2,0,0,0,0|2,0,0]=4 11164 B14R1.520 COCC(=O)NCCc1ccccc1 11a_100000106460_100000210968 [0,2,0,0,0,0|2,0,0]=4 11165 B14R1.520 COCC(=O)NCCc1ccccc1 1626a_100000106460_100000210968 [0,2,0,0,0,0|2,0,0]=4 11166 B14R1.520 COCC(=O)NCCc1ccccc1 240690a_100000106460_100000210968 [0,2,0,0,0,0|2,0,0]=4 11167 B14R1.520 COCC(=O)NCCc1ccccc1 34a_100138415774_100000183012 [0,2,0,0,0,0|2,0,0]=4 11168 B14R1.520 COCC(=O)NCCc1ccccc1 527a_100000106460_100000210968 [0,2,0,0,0,0|2,0,0]=4 11169 B14R1.520 COCC(=O)OCCc1ccccc1 34a_100138415774_200000077782 [0,2,0,0,0,0|2,0,0]=4 11170 B14R1.520 COCN(C)CCOc1ccccc1 2230a_100000184383_100000766300 [0,2,0,0,0,0|2,0,0]=4 11171 B14R1.520 COCN(C)CCOc1ccccc1 269982a_100000184383_100000766300 [0,2,0,0,0,0|2,0,0]=4 11172 B14R1.520 CSCC(=O)CCCc1ccccc1 1458a_100000184570_100000211621 [0,2,0,0,0,0|1,1,0]=4 11173 B14R1.520 CSCC(=O)CCOc1ccccc1 1458a_100000184570_100000184471 [0,2,0,0,0,0|0,1,0]=3 11174 B14R1.520 CSCC(=O)CCSc1ccccc1 1458a_100000184570_100000246102 [0,2,0,0,0,0|0,2,0]=4 11175 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100011207963_100011214920 [0,2,0,0,0,0|2,0,0]=4 11176 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100051588842_100000211621 [0,2,0,0,0,0|2,0,0]=4 11177 B14R1.520 N#CCC(=O)CCOc1ccccc1 1458a_100000182761_100011214920 [0,2,0,0,0,0|1,0,0]=3 11178 B14R1.520 N#CCC(=O)CCOc1ccccc1 1458a_100051588842_100000184471 [0,2,0,0,0,0|1,0,0]=3 11179 B14R1.520 N#CCC(=O)CCSc1ccccc1 1458a_100000182436_100011214920 [0,2,0,0,0,0|1,1,0]=4 11180 B14R1.520 N#CCC(=O)CCSc1ccccc1 1458a_100051588842_100000246102 [0,2,0,0,0,0|1,1,0]=4 11181 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011216618_100016265936 [0,2,0,0,0,0|1,0,1]=4 11182 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011219626_100000211926 [0,2,0,0,0,0|1,0,1]=4 11183 B14R1.520 O=C(C=CBr)CCCc1ccccc1 1458a_100016273825_100000211621 [0,2,0,0,0,0|2,0,0]=4 11184 B14R1.520 O=C(C=CBr)CCOc1ccccc1 1458a_100016273825_100000184471 [0,2,0,0,0,0|1,0,0]=3 11185 B14R1.520 O=C(C=CBr)CCSc1ccccc1 1458a_100016273825_100000246102 [0,2,0,0,0,0|1,1,0]=4 11186 B14R1.520 O=C(C=CCl)CCCc1ccccc1 1458a_200016279998_100000211621 [0,2,0,0,0,0|2,0,0]=4 11187 B14R1.520 O=C(C=CCl)CCOc1ccccc1 1458a_200016279998_100000184471 [0,2,0,0,0,0|1,0,0]=3 11188 B14R1.520 O=C(C=CCl)CCSc1ccccc1 1458a_200016279998_100000246102 [0,2,0,0,0,0|1,1,0]=4 11189 B14R1.520 O=C(C=CI)CCCc1ccccc1 1458a_100016256311_100000211621 [0,2,0,0,0,0|2,0,0]=4 11190 B14R1.520 O=C(C=CI)CCOc1ccccc1 1458a_100016256311_100000184471 [0,2,0,0,0,0|1,0,0]=3 11191 B14R1.520 O=C(C=CI)CCSc1ccccc1 1458a_100016256311_100000246102 [0,2,0,0,0,0|1,1,0]=4 11192 B14R1.520 O=C(CC#Cc1ccccc1)CCO 1458a_100011216618_100011352542 [0,2,0,0,0,0|1,0,1]=4 11193 B14R1.520 O=C(CCF)CCCc1ccccc1 1458a_100011207963_100011217306 [0,2,0,0,0,0|2,0,0]=4 11194 B14R1.520 O=C(CCF)CCOc1ccccc1 1458a_100000182761_100011217306 [0,2,0,0,0,0|1,0,0]=3 11195 B14R1.520 O=C(CCF)CCSc1ccccc1 1458a_100000182436_100011217306 [0,2,0,0,0,0|1,1,0]=4 11196 B14R1.520 O=C(CCO)CCCc1ccccc1 1458a_100011207963_100000211926 [0,2,0,0,0,0|1,0,0]=3 11197 B14R1.520 O=C(CCO)CCCc1ccccc1 1458a_100011216618_100000211621 [0,2,0,0,0,0|1,0,0]=3 11198 B14R1.520 O=C(CCO)CCCc1ccccn1 1458a_100000752327_100000211926 [0,2,0,0,0,0|2,0,0]=4 11199 B14R1.520 O=C(CCO)CCCc1ccncc1 1458a_100020654287_100000211926 [0,2,0,0,0,0|2,0,0]=4 11200 B14R1.520 O=C(CCO)CCOc1ccccc1 1458a_100000182761_100000211926 [0,2,0,0,0,0|0,0,0]=2 11201 B14R1.520 O=C(CCO)CCOc1ccccc1 1458a_100011216618_100000184471 [0,2,0,0,0,0|0,0,0]=2 11202 B14R1.520 O=C(CCO)CCSc1ccccc1 1458a_100000182436_100000211926 [0,2,0,0,0,0|0,1,0]=3 11203 B14R1.520 O=C(CCO)CCSc1ccccc1 1458a_100011216618_100000246102 [0,2,0,0,0,0|0,1,0]=3 11204 B14R1.520 O=C(CCO)COCc1ccccc1 1458a_100000230186_100000211926 [0,2,0,0,0,0|2,0,0]=4 11205 B14R1.520 O=C(CCO)CSCc1ccccc1 1458a_100000150264_100000211926 [0,2,0,0,0,0|2,0,0]=4 11206 B14R1.520 O=C(CCO)CSCc1ccccc1 1458a_100011216618_200011217039 [0,2,0,0,0,0|2,0,0]=4 11207 B14R1.520 O=C(CCO)NCCc1ccccc1 240690a_100000106460_100011216618 [0,2,0,0,0,0|2,0,0]=4 11208 B14R1.520 O=C(CNCc1ccccc1)NCO 2230a_100015324214_100000185155 [0,2,0,0,0,0|2,0,0]=4 11209 B14R1.520 O=C(CNCc1ccccc1)NCO 34a_100015324214_100000185155 [0,2,0,0,0,0|2,0,0]=4 11210 B14R1.520 O=C(COCc1ccccc1)NCO 34a_100000210790_100000185155 [0,2,0,0,0,0|2,0,0]=4 11211 B14R1.520 O=C(COCc1ccccc1)NCO 7a_100000210790_100000185155 [0,2,0,0,0,0|2,0,0]=4 11212 B14R1.520 O=C(CSCc1ccccc1)NCO 62a_100000185155_100015291786 [0,2,0,0,0,0|2,0,0]=4 11213 B14R1.520 O=C(CSCc1ccccc1)NCO 62a_100000211182_100000185155 [0,2,0,0,0,0|2,0,0]=4 11214 B14R1.546 COC(CCOc1ccccc1)OC 34a_100000210340_100000139399 [0,2,0,0,0,0|0,0,2]=4 11215 B14R1.546 COC(CCOc1ccccc1)OC 7a_100000210340_100009813347 [0,2,0,0,0,0|0,0,2]=4 11216 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [1,0,0,1,0,0|2,0,0]=4 11217 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [1,0,0,1,0,0|2,0,0]=4 11218 B12R2.2057 c1cc(ccn1)OCC2CO2 34a_100000212176_102125554688 [1,0,0,1,0,0|1,0,1]=4 11219 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [1,0,0,1,0,0|1,0,1]=4 11220 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [1,0,0,1,0,0|1,0,1]=4 11221 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [1,0,0,1,0,0|1,0,1]=4 11222 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [1,0,0,1,0,0|0,0,1]=3 11223 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [1,0,0,1,0,0|0,0,1]=3 11224 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [1,0,0,1,0,0|0,1,1]=4 11225 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [1,0,0,1,0,0|0,0,1]=3 11226 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [1,0,0,1,0,0|0,1,1]=4 11227 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [1,0,0,1,0,0|0,1,1]=4 11228 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [1,0,0,1,0,0|0,1,1]=4 11229 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [1,0,0,1,0,0|0,1,1]=4 11230 B12R2.2057 c1cncc(c1)OCC2CO2 34a_100000210849_102125554688 [1,0,0,1,0,0|1,0,1]=4 11231 B12R2.2057 c1cncc(c1)OCC2CO2 7a_100000210849_102125554688 [1,0,0,1,0,0|1,0,1]=4 11232 B12R2.2057 c1cncc(c1)OC[C@@H]2CO2 7a_100000210849_100000745022 [1,0,0,1,0,0|1,0,1]=4 11233 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [1,0,0,1,0,0|1,0,1]=4 11234 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [1,0,0,1,0,0|2,0,0]=4 11235 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [1,0,0,1,0,0|2,0,0]=4 11236 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,1,0|1,0,0]=3 11237 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,1,0|1,0,0]=3 11238 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [0,0,0,1,0,1|2,0,0]=4 11239 B14R2.2 CC(=O)CN1CCc2c1cccc2 1458a_100000742689_200000210301 [0,0,0,1,0,1|2,0,0]=4 11240 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,0,0,1,0,1|1,0,1]=4 11241 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000070787_100009813815 [0,0,0,1,0,1|1,0,1]=4 11242 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000205995_200000210301 [0,0,0,1,0,1|1,0,1]=4 11243 B14R2.2 CC(=O)NC1COc2c1cccc2 11a_100000747519_100015343762 [0,0,0,1,0,1|1,0,0]=3 11244 B14R2.2 CC(=O)NC1COc2c1cccc2 1626a_100000747519_100015343762 [0,0,0,1,0,1|1,0,0]=3 11245 B14R2.2 CC(=O)NC1COc2c1cccc2 240690a_100000747519_100015343762 [0,0,0,1,0,1|1,0,0]=3 11246 B14R2.2 CC(=O)NC1COc2c1cccc2 527a_100000747519_100103153847 [0,0,0,1,0,1|1,0,0]=3 11247 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100015343762 [0,0,0,1,0,1|2,0,0]=4 11248 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100015343762 [0,0,0,1,0,1|2,0,0]=4 11249 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100015343762 [0,0,0,1,0,1|2,0,0]=4 11250 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100103153847 [0,0,0,1,0,1|2,0,0]=4 11251 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [0,0,0,1,0,1|2,0,0]=4 11252 B14R2.2 [13CH3]C(=O)CN1CCc2c1cccc2 1458a_100000742689_200025704644 [0,0,0,1,0,1|2,0,0]=4 11253 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,0,0,1,0,1|1,0,1]=4 11254 B14R2.2 [13CH3]C(=O)Cc1noc2c1cccc2 1458a_100000205995_200025704644 [0,0,0,1,0,1|1,0,1]=4 11255 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,1,0,1|1,0,0]=3 11256 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,1,0,1|0,0,0]=2 11257 B14R2.19 O=C1OCC(O1)Oc2cccnc2 34a_100000210849_100000032252 [0,0,0,1,0,1|1,0,0]=3 11258 B14R2.19 O=C1OCC(O1)Oc2ccncc2 34a_100000212176_100000032252 [0,0,0,1,0,1|1,0,0]=3 11259 B14R2.19 O=C1OCC(O1)Oc2ccnnc2 34a_100015204005_100000032252 [0,0,0,1,0,1|2,0,0]=4 11260 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,1,0,1|0,1,0]=3 11261 B14R2.19 O=C1OCC(O1)Sc2ccccn2 62a_100011216584_100000032252 [0,0,0,1,0,1|1,1,0]=4 11262 B14R2.19 O=C1OCC(O1)Sc2cccnc2 62a_100000210063_100000032252 [0,0,0,1,0,1|1,1,0]=4 11263 B14R2.19 O=C1OCC(O1)Sc2ccncc2 62a_100000728582_100000032252 [0,0,0,1,0,1|1,1,0]=4 11264 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [0,0,0,1,0,1|2,0,0]=4 11265 B14R2.436 O=C1CC(C1)COc2ccccc2 7a_100000210340_100009874392 [0,0,0,1,0,1|1,0,0]=3 11266 B14R2.436 O=C1CC(C1)COc2cccnc2 7a_100000210849_100009874392 [0,0,0,1,0,1|2,0,0]=4 11267 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100000719477_100009874392 [0,0,0,1,0,1|1,1,0]=4 11268 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100009874392_100000041952 [0,0,0,1,0,1|1,1,0]=4 11269 B14R2.436 O=C1CC(C1)SCc2ccccc2 62a_100009894365_100015291786 [0,0,0,1,0,1|1,1,0]=4 11270 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100015343762 [0,0,0,1,0,1|2,0,0]=4 11271 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100015343762 [0,0,0,1,0,1|2,0,0]=4 11272 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100015343762 [0,0,0,1,0,1|2,0,0]=4 11273 B14R2.764 CC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100103153847 [0,0,0,1,0,1|2,0,0]=4 11274 B14R2.780 CC(=O)N1CCC1c2ccccc2 11a_100000739605_100015343762 [0,0,0,1,0,1|2,0,0]=4 11275 B14R2.780 CC(=O)N1CCC1c2ccccc2 1626a_100000739605_100015343762 [0,0,0,1,0,1|2,0,0]=4 11276 B14R2.780 CC(=O)N1CCC1c2ccccc2 240690a_100000739605_100015343762 [0,0,0,1,0,1|2,0,0]=4 11277 B14R2.780 CC(=O)N1CCC1c2ccccc2 527a_100000739605_100103153847 [0,0,0,1,0,1|2,0,0]=4 11278 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100015343762 [0,0,0,1,0,1|2,0,0]=4 11279 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100015343762 [0,0,0,1,0,1|2,0,0]=4 11280 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100015343762 [0,0,0,1,0,1|2,0,0]=4 11281 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100103153847 [0,0,0,1,0,1|2,0,0]=4 11282 B14R2.3018 c1ccc(cc1)COCCC2CO2 34a_100000210790_100000732470 [0,0,0,1,0,1|1,0,1]=4 11283 B14R2.3018 c1ccc(cc1)COCCC2CO2 7a_100000210790_100000732470 [0,0,0,1,0,1|1,0,1]=4 11284 B14R2.3018 c1ccc(cc1)COCC[C@@H]2CO2 34a_100009820653_100015291786 [0,0,0,1,0,1|1,0,1]=4 11285 B14R2.3018 c1ccc(cc1)OCCCC2CO2 34a_100000210340_100000733510 [0,0,0,1,0,1|1,0,1]=4 11286 B14R2.3018 c1ccc(cc1)OCCCC2CO2 7a_100000210340_100000733510 [0,0,0,1,0,1|1,0,1]=4 11287 B14R2.31137 NC(=O)CSC1Cc2c1cccc2 62a_100000747473_100009813401 [0,0,0,1,0,1|2,0,0]=4 11288 B14R2.31137 NC(=O)CSC1Cc2c1cccc2 62a_100009813401_100000747473 [0,0,0,1,0,1|2,0,0]=4 11289 B14R2.31137 O=C(O)CNC1Cc2c1cccc2 269956a_100016091260_100009813401 [0,0,0,1,0,1|1,0,0]=3 11290 B14R2.31137 O=C([O-])CSC1Cc2c1cccc2 62a_100009813401_100020667443 [0,0,0,1,0,1|1,0,1]=4 11291 B14R2.31137 O=C([O-])CSC1Cc2c1cccc2 62a_100020667443_100009813401 [0,0,0,1,0,1|1,0,1]=4 11292 B14R2.31359 CC(=O)C1CCCc2c1cccc2 1458a_100011198263_200000210301 [0,0,0,1,0,1|2,0,0]=4 11293 B14R2.31359 CC(=O)C1OCCc2c1cccc2 1458a_100000026751_200000210301 [0,0,0,1,0,1|2,0,0]=4 11294 B14R2.31359 [13CH3]C(=O)C1CCCc2c1cccc2 1458a_100011198263_200025704644 [0,0,0,1,0,1|2,0,0]=4 11295 B14R2.31359 [13CH3]C(=O)C1OCCc2c1cccc2 1458a_100000026751_200025704644 [0,0,0,1,0,1|2,0,0]=4 11296 B14R2.422 CN(c1ccccc1)C2CC(=O)C2 269982a_100000210012_100009894365 [0,1,0,1,0,0|2,0,0]=4 11297 B14R2.779 CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200000210301 [0,1,0,1,0,0|2,0,0]=4 11298 B14R2.779 [13CH3]C(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200025704644 [0,1,0,1,0,0|2,0,0]=4 11299 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,1,0,1,0,0|2,0,0]=4 11300 B14R2.22 Cc1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100011215228 [0,1,0,1,0,0|2,0,0]=4 11301 B14R2.22 Nc1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100000210019 [0,1,0,1,0,0|2,0,0]=4 11302 B14R2.22 O=C1C=C(CC1)c2cccc(c2)Br 271570a_100010737933_100000691529 [0,1,0,1,0,0|2,0,0]=4 11303 B14R2.22 O=C1C=C(CC1)c2cccc(c2)Cl 271570a_100010737933_100000699651 [0,1,0,1,0,0|2,0,0]=4 11304 B14R2.22 O=C1C=C(CC1)c2cccc(c2)F 271570a_100010737933_100000685547 [0,1,0,1,0,0|2,0,0]=4 11305 B14R2.22 O=C1C=C(CC1)c2cccc(c2)O 271570a_100010737933_100000211634 [0,1,0,1,0,0|2,0,0]=4 11306 B14R2.22 O=C1C=C(CC1)c2cccc(c2)[S] 271570a_100010737933_114929384022 [0,1,0,1,0,0|2,0,0]=4 11307 B14R2.300 CC(=O)C1CCc2c1ccc(c2)C 1458a_100000103084_200000210301 [0,1,0,1,0,0|2,0,0]=4 11308 B14R2.300 Cc1ccc2c(c1)CCC2C(=O)[13CH3] 1458a_100000103084_200025704644 [0,1,0,1,0,0|2,0,0]=4 11309 B14R2.4476 CC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200000210301 [0,1,0,1,0,0|2,0,0]=4 11310 B14R2.4476 [13CH3]C(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200025704644 [0,1,0,1,0,0|2,0,0]=4 11311 B14R2.7974 O=C1CCCc2cc(ccc2N1)O 271570a_203496583355_100000694693 [0,1,0,1,0,0|2,0,0]=4 11312 B14R2.7974 O=C1CCNc2cc(ccc2N1)O 271570a_203496583355_200012359944 [0,1,0,1,0,0|2,0,0]=4 11313 B14R2.9057 Cc1cccc(c1)SC2CC(=O)C2 62a_100009894365_100011215228 [0,1,0,1,0,0|1,1,0]=4 11314 B14R2.9057 Nc1cccc(c1)SC2CC(=O)C2 62a_100009894365_100000210019 [0,1,0,1,0,0|1,1,0]=4 11315 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)Br 62a_100009894365_100000691529 [0,1,0,1,0,0|1,1,0]=4 11316 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)Cl 62a_100009894365_100000699651 [0,1,0,1,0,0|1,1,0]=4 11317 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)F 62a_100009894365_100000685547 [0,1,0,1,0,0|1,1,0]=4 11318 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)O 62a_100009894365_100000211634 [0,1,0,1,0,0|1,1,0]=4 11319 B14R2.9057 O=C1CC(C1)Sc2cccc(c2)[S] 62a_100009894365_114929384022 [0,1,0,1,0,0|1,1,0]=4 11320 B14R2.9061 Brc1cccc(c1)OCCC2CO2 34a_100000210342_100000732470 [0,1,0,1,0,0|1,0,1]=4 11321 B14R2.9061 Brc1cccc(c1)OCCC2CO2 7a_100000210342_100000732470 [0,1,0,1,0,0|1,0,1]=4 11322 B14R2.9061 Cc1cccc(c1)OCCC2CO2 34a_100000210337_100000732470 [0,1,0,1,0,0|1,0,1]=4 11323 B14R2.9061 Cc1cccc(c1)OCCC2CO2 7a_100000210337_100000732470 [0,1,0,1,0,0|1,0,1]=4 11324 B14R2.9061 Clc1cccc(c1)OCCC2CO2 34a_100000210295_100000732470 [0,1,0,1,0,0|1,0,1]=4 11325 B14R2.9061 Clc1cccc(c1)OCCC2CO2 7a_100000210295_100000732470 [0,1,0,1,0,0|1,0,1]=4 11326 B14R2.9061 Fc1cccc(c1)OCCC2CO2 34a_100000210426_100000732470 [0,1,0,1,0,0|1,0,1]=4 11327 B14R2.9061 Fc1cccc(c1)OCCC2CO2 7a_100000210426_100000732470 [0,1,0,1,0,0|1,0,1]=4 11328 B14R2.9061 Ic1cccc(c1)OCCC2CO2 34a_100000211634_100000732470 [0,1,0,1,0,0|1,0,1]=4 11329 B14R2.9061 Ic1cccc(c1)OCCC2CO2 7a_100000211634_100000732470 [0,1,0,1,0,0|1,0,1]=4 11330 B14R2.9061 Nc1cccc(c1)OCCC2CO2 34a_100000210217_100000732470 [0,1,0,1,0,0|1,0,1]=4 11331 B14R2.256 Cc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000210755 [0,1,0,1,0,0|2,0,0]=4 11332 B14R2.256 Nc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000210017 [0,1,0,1,0,0|2,0,0]=4 11333 B14R2.256 O=C1C=C(CC1)c2ccccc2Br 271570a_100010737933_100000695589 [0,1,0,1,0,0|2,0,0]=4 11334 B14R2.256 O=C1C=C(CC1)c2ccccc2Cl 271570a_100010737933_100000764095 [0,1,0,1,0,0|2,0,0]=4 11335 B14R2.256 O=C1C=C(CC1)c2ccccc2F 271570a_100010737933_100011215700 [0,1,0,1,0,0|2,0,0]=4 11336 B14R2.256 O=C1C=C(CC1)c2ccccc2O 271570a_100010737933_100000739446 [0,1,0,1,0,0|2,0,0]=4 11337 B14R2.663 Cc1ccccc1SC2CC(=O)C2 62a_100009894365_100000210755 [0,1,0,1,0,0|1,1,0]=4 11338 B14R2.663 Nc1ccccc1SC2CC(=O)C2 62a_100009894365_100000210017 [0,1,0,1,0,0|1,1,0]=4 11339 B14R2.663 O=C1CC(C1)Sc2ccccc2Br 62a_100009894365_100000695589 [0,1,0,1,0,0|1,1,0]=4 11340 B14R2.663 O=C1CC(C1)Sc2ccccc2Cl 62a_100009894365_100000764095 [0,1,0,1,0,0|1,1,0]=4 11341 B14R2.663 O=C1CC(C1)Sc2ccccc2F 62a_100009894365_100011215700 [0,1,0,1,0,0|1,1,0]=4 11342 B14R2.663 O=C1CC(C1)Sc2ccccc2O 62a_100009894365_100000739446 [0,1,0,1,0,0|1,1,0]=4 11343 B14R2.768 CC(=O)CC1Cc2ccccc2C1 1458a_100011217126_200000210301 [0,1,0,1,0,0|2,0,0]=4 11344 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [0,1,0,1,0,0|1,0,1]=4 11345 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100000070787_100000195508 [0,1,0,1,0,0|1,0,1]=4 11346 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200000210301 [0,1,0,1,0,0|1,0,1]=4 11347 B14R2.768 [13CH3]C(=O)CC1Cc2ccccc2C1 1458a_100011217126_200025704644 [0,1,0,1,0,0|2,0,0]=4 11348 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [0,1,0,1,0,0|1,0,1]=4 11349 B14R2.768 [13CH3]C(=O)Cc1nc2ccccc2o1 1458a_100015185861_200025704644 [0,1,0,1,0,0|1,0,1]=4 11350 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200000210301 [0,1,0,1,0,0|1,0,1]=4 11351 B14R2.781 CC(=O)C1CCc2ccccc2C1 1458a_100011217706_200000210301 [0,1,0,1,0,0|2,0,0]=4 11352 B14R2.781 CC(=O)C1CCc2ccccc2O1 1458a_100000065239_200000210301 [0,1,0,1,0,0|2,0,0]=4 11353 B14R2.781 CC(=O)C1COc2ccccc2C1 1458a_100000203760_200000210301 [0,1,0,1,0,0|1,0,0]=3 11354 B14R2.781 CC(=O)C1COc2ccccc2O1 1458a_100000182656_200000210301 [0,1,0,1,0,0|1,0,0]=3 11355 B14R2.781 [13CH3]C(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200025704644 [0,1,0,1,0,0|1,0,1]=4 11356 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2C1 1458a_100011217706_200025704644 [0,1,0,1,0,0|2,0,0]=4 11357 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2O1 1458a_100000065239_200025704644 [0,1,0,1,0,0|2,0,0]=4 11358 B14R2.781 [13CH3]C(=O)C1COc2ccccc2C1 1458a_100000203760_200025704644 [0,1,0,1,0,0|1,0,0]=3 11359 B14R2.781 [13CH3]C(=O)C1COc2ccccc2O1 1458a_100000182656_200025704644 [0,1,0,1,0,0|1,0,0]=3 11360 B14R2.4622 Brc1ccccc1OCCC2CO2 34a_100000181306_100000732470 [0,1,0,1,0,0|1,0,1]=4 11361 B14R2.4622 Brc1ccccc1OCCC2CO2 7a_100000181306_100000732470 [0,1,0,1,0,0|1,0,1]=4 11362 B14R2.4622 Cc1ccccc1OCCC2CO2 34a_100000210338_100000732470 [0,1,0,1,0,0|1,0,1]=4 11363 B14R2.4622 Cc1ccccc1OCCC2CO2 7a_100000210338_100000732470 [0,1,0,1,0,0|1,0,1]=4 11364 B14R2.4622 Clc1ccccc1OCCC2CO2 34a_100000210172_100000732470 [0,1,0,1,0,0|1,0,1]=4 11365 B14R2.4622 Clc1ccccc1OCCC2CO2 7a_100000210172_100000732470 [0,1,0,1,0,0|1,0,1]=4 11366 B14R2.4622 Fc1ccccc1OCCC2CO2 34a_100000210171_100000732470 [0,1,0,1,0,0|1,0,1]=4 11367 B14R2.4622 Fc1ccccc1OCCC2CO2 7a_100000210171_100000732470 [0,1,0,1,0,0|1,0,1]=4 11368 B14R2.4622 Ic1ccccc1OCCC2CO2 34a_100000739446_100000732470 [0,1,0,1,0,0|1,0,1]=4 11369 B14R2.4622 Ic1ccccc1OCCC2CO2 7a_100000739446_100000732470 [0,1,0,1,0,0|1,0,1]=4 11370 B14R2.4622 Nc1ccccc1OCCC2CO2 34a_100000185747_100000732470 [0,1,0,1,0,0|1,0,1]=4 11371 B14R2.4622 Nc1ccccc1OCCC2CO2 7a_100000185747_100000732470 [0,1,0,1,0,0|1,0,1]=4 11372 B14R2.5443 CC(=O)C1CC1c2ccccc2Br 1458a_100000748278_200000210301 [0,1,0,1,0,0|2,0,0]=4 11373 B14R2.5443 CC(=O)C1CC1c2ccccc2Cl 1458a_100016119764_200000210301 [0,1,0,1,0,0|2,0,0]=4 11374 B14R2.5443 [13CH3]C(=O)C1CC1c2ccccc2Br 1458a_100000748278_200025704644 [0,1,0,1,0,0|2,0,0]=4 11375 B14R2.5443 [13CH3]C(=O)C1CC1c2ccccc2Cl 1458a_100016119764_200025704644 [0,1,0,1,0,0|2,0,0]=4 11376 B14R2.28454 O=C1CCCc2c(cccc2N1)O 271570a_203496583355_200000700058 [0,1,0,1,0,0|2,0,0]=4 11377 B14R2.20 Cc1ccc(cc1)C2=CC(=O)CC2 271570a_100010737933_100000186775 [0,1,0,1,0,0|2,0,0]=4 11378 B14R2.20 Nc1ccc(cc1)C2=CC(=O)CC2 271570a_100010737933_100000185761 [0,1,0,1,0,0|2,0,0]=4 11379 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Br 271570a_100010737933_100000752885 [0,1,0,1,0,0|2,0,0]=4 11380 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Cl 271570a_100010737933_100000755918 [0,1,0,1,0,0|2,0,0]=4 11381 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)F 271570a_100010737933_100000211213 [0,1,0,1,0,0|2,0,0]=4 11382 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)O 271570a_100010737933_100000185759 [0,1,0,1,0,0|2,0,0]=4 11383 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 271570a_203496583355_100010201990 [0,1,0,1,0,0|2,0,0]=4 11384 B14R2.947 Cc1ccc(cc1)SC2CC(=O)C2 62a_100009894365_100000186775 [0,1,0,1,0,0|1,1,0]=4 11385 B14R2.947 Nc1ccc(cc1)SC2CC(=O)C2 62a_100009894365_100000185761 [0,1,0,1,0,0|1,1,0]=4 11386 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)Br 62a_100009894365_100000752885 [0,1,0,1,0,0|1,1,0]=4 11387 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)Cl 62a_100009894365_100000755918 [0,1,0,1,0,0|1,1,0]=4 11388 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)F 62a_100009894365_100000211213 [0,1,0,1,0,0|1,1,0]=4 11389 B14R2.947 O=C1CC(C1)Sc2ccc(cc2)O 62a_100009894365_100000185759 [0,1,0,1,0,0|1,1,0]=4 11390 B14R2.951 Brc1ccc(cc1)OCCC2CO2 34a_100000185759_100000732470 [0,1,0,1,0,0|1,0,1]=4 11391 B14R2.951 Brc1ccc(cc1)OCCC2CO2 7a_100000185759_100000732470 [0,1,0,1,0,0|1,0,1]=4 11392 B14R2.951 Cc1ccc(cc1)OCCC2CO2 34a_100000210336_100000732470 [0,1,0,1,0,0|1,0,1]=4 11393 B14R2.951 Cc1ccc(cc1)OCCC2CO2 7a_100000210336_100000732470 [0,1,0,1,0,0|1,0,1]=4 11394 B14R2.951 Clc1ccc(cc1)OCCC2CO2 34a_100000210216_100000732470 [0,1,0,1,0,0|1,0,1]=4 11395 B14R2.951 Clc1ccc(cc1)OCCC2CO2 7a_100000210216_100000732470 [0,1,0,1,0,0|1,0,1]=4 11396 B14R2.951 Fc1ccc(cc1)OCCC2CO2 34a_100000210339_100000732470 [0,1,0,1,0,0|1,0,1]=4 11397 B14R2.951 Ic1ccc(cc1)OCCC2CO2 34a_100000212066_100000732470 [0,1,0,1,0,0|1,0,1]=4 11398 B14R2.951 Ic1ccc(cc1)OCCC2CO2 7a_100000212066_100000732470 [0,1,0,1,0,0|1,0,1]=4 11399 B14R2.951 Nc1ccc(cc1)OCCC2CO2 34a_100000185829_100000732470 [0,1,0,1,0,0|1,0,1]=4 11400 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200000210301 [0,1,0,1,0,0|2,0,0]=4 11401 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200000210301 [0,1,0,1,0,0|2,0,0]=4 11402 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200000210301 [0,1,0,1,0,0|2,0,0]=4 11403 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)Cl 1458a_100000235803_200025704644 [0,1,0,1,0,0|2,0,0]=4 11404 B14R2.4402 [13CH3]C(=O)C1CC1c2ccc(cc2)F 1458a_200015190327_200025704644 [0,1,0,1,0,0|2,0,0]=4 11405 B14R2.4402 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1458a_100010113649_200025704644 [0,1,0,1,0,0|2,0,0]=4 11406 B14R2.5816 CC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_200000210301 [0,1,0,1,0,0|2,0,0]=4 11407 B14R2.5816 CC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_200000210301 [0,1,0,1,0,0|2,0,0]=4 11408 B14R2.5816 [13CH3]C(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_200025704644 [0,1,0,1,0,0|2,0,0]=4 11409 B14R2.5816 [13CH3]C(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_200025704644 [0,1,0,1,0,0|2,0,0]=4 11410 B14R2.95 CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210202 [0,1,0,1,0,0|2,0,0]=4 11411 B14R2.95 CNC(=O)C1CCc2c1cccc2 11a_106832991635_100000750891 [0,1,0,1,0,0|2,0,0]=4 11412 B14R2.95 CNC(=O)C1CCc2c1cccc2 1626a_100102657272_100000750891 [0,1,0,1,0,0|2,0,0]=4 11413 B14R2.95 CNC(=O)C1CCc2c1cccc2 240690a_100102657272_100000750891 [0,1,0,1,0,0|2,0,0]=4 11414 B14R2.95 CNC(=O)C1CCc2c1cccc2 527a_100102657272_100000750891 [0,1,0,1,0,0|2,0,0]=4 11415 B14R2.95 O=C(CF)C1CCc2c1cccc2 1458a_100000750891_100015361967 [0,1,0,1,0,0|2,0,0]=4 11416 B14R2.958 CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210202 [0,1,0,1,0,0|2,0,0]=4 11417 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_106832991635_100009815801 [0,1,0,1,0,0|2,0,0]=4 11418 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100102657272_100009815801 [0,1,0,1,0,0|2,0,0]=4 11419 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100102657272_100009815801 [0,1,0,1,0,0|2,0,0]=4 11420 B14R2.958 O=C(CF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100015361967 [0,1,0,1,0,0|2,0,0]=4 11421 B10R1.21 C=CCCOc1ccsc1 34a_100000106738_100000754431 [1,0,0,0,1,0|2,0,0]=4 11422 B10R1.21 C=CCCOc1ccsc1 7a_100000106738_100000754431 [1,0,0,0,1,0|2,0,0]=4 11423 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [1,0,0,0,1,0|1,0,1]=4 11424 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [1,0,0,0,1,0|1,0,1]=4 11425 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,2,0|2,0,0]=4 11426 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,2,0|1,0,0]=3 11427 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,2,0|2,0,0]=4 11428 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,2,0|2,0,0]=4 11429 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,2,0|2,0,0]=4 11430 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,2,0|2,0,0]=4 11431 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,2,0|2,0,0]=4 11432 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,2,0|2,0,0]=4 11433 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,2,0|2,0,0]=4 11434 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,2,0|2,0,0]=4 11435 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,2,0|2,0,0]=4 11436 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,2,0|2,0,0]=4 11437 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,2,0|2,0,0]=4 11438 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,2,0|2,0,0]=4 11439 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,2,0|2,0,0]=4 11440 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,2,0|2,0,0]=4 11441 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,2,0|2,0,0]=4 11442 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,2,0|2,0,0]=4 11443 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,2,0|2,0,0]=4 11444 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,2,0|2,0,0]=4 11445 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,2,0|2,0,0]=4 11446 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,2,0|2,0,0]=4 11447 B10R1.66 NC(=O)COc1ccsc1 34a_100000106738_100000187820 [0,0,0,0,2,0|2,0,0]=4 11448 B10R1.66 NC(=O)COc1ccsc1 7a_100000106738_100000187820 [0,0,0,0,2,0|2,0,0]=4 11449 B10R1.66 O=C([O-])COc1ccsc1 34a_100000106738_100020667443 [0,0,0,0,2,0|1,0,1]=4 11450 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,2,0|2,0,0]=4 11451 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,2,0|2,0,0]=4 11452 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,2,0|2,0,0]=4 11453 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,2,0|2,0,0]=4 11454 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,2,0|2,0,0]=4 11455 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,2,0|2,0,0]=4 11456 B14R1.422 C=C(Br)CCOCCc1ccccc1 34a_100009813270_100000765856 [0,0,0,0,0,2|2,0,0]=4 11457 B14R1.422 C=C(C)CCOCCc1ccccc1 34a_100000210268_100000730704 [0,0,0,0,0,2|2,0,0]=4 11458 B14R1.422 C=C(C)CCOCCc1ccccc1 34a_100000764851_100000765856 [0,0,0,0,0,2|2,0,0]=4 11459 B14R1.422 C=C(C)CCOCCc1ccccc1 7a_100000210268_100000730704 [0,0,0,0,0,2|2,0,0]=4 11460 B14R1.422 C=C(C)CNCCOc1ccccc1 2230a_100000174943_100000748629 [0,0,0,0,0,2|2,0,0]=4 11461 B14R1.422 C=C(C)CNCCOc1ccccc1 34a_100000174943_100000748629 [0,0,0,0,0,2|2,0,0]=4 11462 B14R1.422 C=C(C)COCCOc1ccccc1 34a_100000210245_100000184471 [0,0,0,0,0,2|2,0,0]=4 11463 B14R1.422 C=C(C)COCCOc1ccccc1 34a_100000210260_100000748629 [0,0,0,0,0,2|2,0,0]=4 11464 B14R1.422 C=C(C)COCCOc1ccccc1 7a_100000210260_100000748629 [0,0,0,0,0,2|2,0,0]=4 11465 B14R1.422 C=C(C)COCOCc1ccccc1 34a_100000210245_100000763385 [0,0,0,0,0,2|2,0,0]=4 11466 B14R1.422 C=C(C)CSCCOc1ccccc1 62a_100000184471_100000211660 [0,0,0,0,0,2|2,0,0]=4 11467 B14R1.422 C=C(C)CSCCOc1ccccc1 62a_100000748629_100000184471 [0,0,0,0,0,2|2,0,0]=4 11468 B14R1.422 C=C(C)CSCOCc1ccccc1 62a_100000748629_100000763385 [0,0,0,0,0,2|2,0,0]=4 11469 B14R1.422 C=C(C)CSCOCc1ccccc1 62a_100000763385_100000211660 [0,0,0,0,0,2|2,0,0]=4 11470 B14R1.422 C=C(F)CNCCOc1ccccc1 2230a_100000174943_100009893438 [0,0,0,0,0,2|2,0,0]=4 11471 B14R1.422 C=C(F)CNCCOc1ccccc1 34a_100000174943_100009893438 [0,0,0,0,0,2|2,0,0]=4 11472 B14R1.422 C=C(F)COCCOc1ccccc1 34a_100000210260_100009893438 [0,0,0,0,0,2|2,0,0]=4 11473 B14R1.422 C=C(F)COCCOc1ccccc1 34a_200010262243_100000184471 [0,0,0,0,0,2|2,0,0]=4 11474 B14R1.422 C=C(F)COCCOc1ccccc1 7a_100000210260_100000042424 [0,0,0,0,0,2|2,0,0]=4 11475 B14R1.422 C=C(F)COCOCc1ccccc1 34a_200010262243_100000763385 [0,0,0,0,0,2|2,0,0]=4 11476 B14R1.422 C=C(F)CSCCOc1ccccc1 62a_100000042424_100000184471 [0,0,0,0,0,2|2,0,0]=4 11477 B14R1.422 C=C(F)CSCCOc1ccccc1 62a_100000184471_100000042424 [0,0,0,0,0,2|2,0,0]=4 11478 B14R1.422 C=C(F)CSCOCc1ccccc1 62a_100000042424_100000763385 [0,0,0,0,0,2|2,0,0]=4 11479 B14R1.422 C=C(F)CSCOCc1ccccc1 62a_100000763385_100000042424 [0,0,0,0,0,2|2,0,0]=4 11480 B14R1.422 CC(=CCCOCc1ccccc1)C 34a_100000210790_100011217483 [0,0,0,0,0,2|2,0,0]=4 11481 B14R1.422 CC(=CCCOCc1ccccc1)C 7a_100000210790_100011217483 [0,0,0,0,0,2|2,0,0]=4 11482 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100000070787_200011217138 [0,0,0,0,0,2|2,0,0]=4 11483 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100011216832_200000210301 [0,0,0,0,0,2|2,0,0]=4 11484 B14R1.422 CC(=O)CCCCNc1ccccc1 34a_100000106764_100009817362 [0,0,0,0,0,2|2,0,0]=4 11485 B14R1.422 CC(=O)CCCCOc1ccccc1 1458a_100000070787_100011215240 [0,0,0,0,0,2|1,0,0]=3 11486 B14R1.422 CC(=O)CCCCOc1ccccc1 1458a_200011216290_200000210301 [0,0,0,0,0,2|1,0,0]=3 11487 B14R1.422 CC(=O)CCCCOc1ccccc1 34a_100000210340_100009817362 [0,0,0,0,0,2|1,0,0]=3 11488 B14R1.422 CC(=O)CCCCOc1ccccc1 7a_100000210340_100000735457 [0,0,0,0,0,2|1,0,0]=3 11489 B14R1.422 CC(=O)CCCCOc1cccnc1 34a_100000210849_100009817362 [0,0,0,0,0,2|2,0,0]=4 11490 B14R1.422 CC(=O)CCCCOc1cccnc1 7a_100000210849_100000735457 [0,0,0,0,0,2|2,0,0]=4 11491 B14R1.422 CC(=O)CCCCOc1ccncc1 34a_100000212176_100009817362 [0,0,0,0,0,2|2,0,0]=4 11492 B14R1.422 CC(=O)CCCCSc1ccccc1 62a_100000719477_100000735457 [0,0,0,0,0,2|1,1,0]=4 11493 B14R1.422 CC(=O)CCCCSc1ccccc1 62a_100000735457_100000041952 [0,0,0,0,0,2|1,1,0]=4 11494 B14R1.422 CC(=O)CCCNCc1ccccc1 34a_100015324214_100000685027 [0,0,0,0,0,2|2,0,0]=4 11495 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000070787_100011215529 [0,0,0,0,0,2|1,0,0]=3 11496 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000748059_200000210301 [0,0,0,0,0,2|1,0,0]=3 11497 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000210790_100000685027 [0,0,0,0,0,2|1,0,0]=3 11498 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000759063_100015291786 [0,0,0,0,0,2|1,0,0]=3 11499 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000210790_100011215641 [0,0,0,0,0,2|1,0,0]=3 11500 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000759063_100000211182 [0,0,0,0,0,2|1,0,0]=3 11501 B14R1.422 CC(=O)CCCOCc1ccccn1 34a_100000759063_100000721315 [0,0,0,0,0,2|2,0,0]=4 11502 B14R1.422 CC(=O)CCCOCc1ccccn1 7a_100000759063_100000721315 [0,0,0,0,0,2|2,0,0]=4 11503 B14R1.422 CC(=O)CCCOCc1cccnc1 34a_100000759063_100000733263 [0,0,0,0,0,2|2,0,0]=4 11504 B14R1.422 CC(=O)CCCOCc1cccnc1 7a_100000759063_100000741622 [0,0,0,0,0,2|2,0,0]=4 11505 B14R1.422 CC(=O)CCCOCc1ccncc1 7a_100000759063_100015193705 [0,0,0,0,0,2|2,0,0]=4 11506 B14R1.422 CC(=O)CCCSCc1ccccc1 62a_100000211182_100011215641 [0,0,0,0,0,2|1,1,0]=4 11507 B14R1.422 CC(=O)CCCSCc1ccccc1 62a_100011215641_100015291786 [0,0,0,0,0,2|1,1,0]=4 11508 B14R1.422 CC(=O)CCOCCc1ccccc1 34a_100000759926_100000765856 [0,0,0,0,0,2|1,0,0]=3 11509 B14R1.422 CC(=O)CCOCCc1ccccc1 7a_100000210268_100000053229 [0,0,0,0,0,2|1,0,0]=3 11510 B14R1.422 CC(=O)CCOCCc1ccccc1 7a_100000759926_100000765856 [0,0,0,0,0,2|1,0,0]=3 11511 B14R1.422 CC(=O)CCOCCc1ccccn1 7a_100000759926_100015183660 [0,0,0,0,0,2|2,0,0]=4 11512 B14R1.422 CC(=O)CCOCCc1cccnc1 7a_100000759926_200011713674 [0,0,0,0,0,2|2,0,0]=4 11513 B14R1.422 CC(=O)CCOCCc1ccncc1 7a_100000759926_100000723409 [0,0,0,0,0,2|2,0,0]=4 11514 B14R1.422 CC(=O)CCSCCc1ccccc1 62a_100000053229_100011218657 [0,0,0,0,0,2|1,1,0]=4 11515 B14R1.422 CC(=O)CCSCCc1ccccc1 62a_100000765856_100000053229 [0,0,0,0,0,2|1,1,0]=4 11516 B14R1.422 CC(=O)CCSCSc1ccccc1 62a_100000053229_100011218342 [0,0,0,0,0,2|1,1,0]=4 11517 B14R1.422 CC(=O)CCSCSc1ccccc1 62a_100011218342_100000053229 [0,0,0,0,0,2|1,1,0]=4 11518 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [0,0,0,0,0,2|2,0,0]=4 11519 B14R1.422 CC(=O)COCC#Cc1ccccc1 34a_100000211253_100011352542 [0,0,0,0,0,2|2,0,0]=4 11520 B14R1.422 CC(=O)COCCCc1ccccc1 34a_100000211253_100000211621 [0,0,0,0,0,2|2,0,0]=4 11521 B14R1.422 CC(=O)COCCOc1ccccc1 34a_100000211253_100000184471 [0,0,0,0,0,2|1,0,0]=3 11522 B14R1.422 CC(=O)COCCSc1ccccc1 34a_100000211253_100000246102 [0,0,0,0,0,2|1,1,0]=4 11523 B14R1.422 CC(=O)COCOCc1ccccc1 34a_100000211253_100000763385 [0,0,0,0,0,2|1,0,0]=3 11524 B14R1.422 CC(=O)COCSCc1ccccc1 34a_100000211253_200011217039 [0,0,0,0,0,2|1,1,0]=4 11525 B14R1.422 CC(=O)CSCCOc1ccccc1 1458a_200000150159_200000210301 [0,0,0,0,0,2|1,0,0]=3 11526 B14R1.422 CC(=O)NCCCCc1ccccc1 11a_100015280158_100015343762 [0,0,0,0,0,2|2,0,0]=4 11527 B14R1.422 CC(=O)NCCCCc1ccccc1 1626a_100015280158_100015343762 [0,0,0,0,0,2|2,0,0]=4 11528 B14R1.422 CC(=O)NCCCCc1ccccc1 240690a_100015280158_100015343762 [0,0,0,0,0,2|2,0,0]=4 11529 B14R1.422 CC(=O)NCCCCc1ccccc1 527a_100015280158_100103153847 [0,0,0,0,0,2|2,0,0]=4 11530 B14R1.422 CC(=O)NCCCOc1ccccc1 11a_100000216521_100015343762 [0,0,0,0,0,2|1,0,0]=3 11531 B14R1.422 CC(=O)NCCCOc1ccccc1 1626a_100000216521_100015343762 [0,0,0,0,0,2|1,0,0]=3 11532 B14R1.422 CC(=O)NCCCOc1ccccc1 240690a_100000216521_100015343762 [0,0,0,0,0,2|1,0,0]=3 11533 B14R1.422 CC(=O)NCCCOc1ccccc1 527a_100000216521_100103153847 [0,0,0,0,0,2|1,0,0]=3 11534 B14R1.422 CC(=O)NCCCSc1ccccc1 11a_100000184639_100015343762 [0,0,0,0,0,2|1,1,0]=4 11535 B14R1.422 CC(=O)NCCCSc1ccccc1 240690a_100000184639_100015343762 [0,0,0,0,0,2|1,1,0]=4 11536 B14R1.422 CC(=O)NCCCSc1ccccc1 527a_100000184639_100103153847 [0,0,0,0,0,2|1,1,0]=4 11537 B14R1.422 CC(=O)NCCNCc1ccccc1 207a_100000209853_100015611070 [0,0,0,0,0,2|2,0,0]=4 11538 B14R1.422 CC(=O)NCCNCc1ccccc1 2230a_100000209853_100015291786 [0,0,0,0,0,2|2,0,0]=4 11539 B14R1.422 CC(=O)NCCNCc1ccccc1 2230a_100015324214_100000189650 [0,0,0,0,0,2|2,0,0]=4 11540 B14R1.422 CC(=O)NCCOCc1ccccc1 11a_100000753106_100015343762 [0,0,0,0,0,2|1,0,0]=3 11541 B14R1.422 CC(=O)NCCOCc1ccccc1 1626a_100000753106_100015343762 [0,0,0,0,0,2|1,0,0]=3 11542 B14R1.422 CC(=O)NCCOCc1ccccc1 240690a_100000753106_100015343762 [0,0,0,0,0,2|1,0,0]=3 11543 B14R1.422 CC(=O)NCCOCc1ccccc1 34a_100000158858_100015291786 [0,0,0,0,0,2|1,0,0]=3 11544 B14R1.422 CC(=O)NCCOCc1ccccc1 527a_100000753106_100103153847 [0,0,0,0,0,2|1,0,0]=3 11545 B14R1.422 CC(=O)NCCOCc1ccccc1 7a_100000210790_100000189650 [0,0,0,0,0,2|1,0,0]=3 11546 B14R1.422 CC(=O)NCCOCc1ccccn1 34a_100000158858_100000721315 [0,0,0,0,0,2|2,0,0]=4 11547 B14R1.422 CC(=O)NCCOCc1cccnc1 34a_100000158858_100000733263 [0,0,0,0,0,2|2,0,0]=4 11548 B14R1.422 CC(=O)NCCSCc1ccccc1 11a_100000189534_100015343762 [0,0,0,0,0,2|1,1,0]=4 11549 B14R1.422 CC(=O)NCCSCc1ccccc1 240690a_100000189534_100015343762 [0,0,0,0,0,2|1,1,0]=4 11550 B14R1.422 CC(=O)NCCSCc1ccccc1 527a_100000189534_100103153847 [0,0,0,0,0,2|1,1,0]=4 11551 B14R1.422 CC(=O)NCCSCc1ccccc1 62a_100000189650_100015291786 [0,0,0,0,0,2|1,1,0]=4 11552 B14R1.422 CC(=O)NCCSCc1ccccc1 62a_100000211182_100000189650 [0,0,0,0,0,2|1,1,0]=4 11553 B14R1.422 CC(=O)NN=CCOc1ccccc1 4a_100000189765_100000758736 [0,0,0,0,0,2|1,0,1]=4 11554 B14R1.422 CC(=O)OCCCNc1ccccc1 34a_100000106764_100000042594 [0,0,0,0,0,2|2,0,0]=4 11555 B14R1.422 CC(=O)OCCCOc1ccccc1 34a_100000210340_100000042594 [0,0,0,0,0,2|1,0,0]=3 11556 B14R1.422 CC(=O)OCCCOc1ccccc1 7a_100000210340_100000042594 [0,0,0,0,0,2|1,0,0]=3 11557 B14R1.422 CC(=O)OCCCOc1cccnc1 34a_100000210849_100000042594 [0,0,0,0,0,2|2,0,0]=4 11558 B14R1.422 CC(=O)OCCCOc1cccnc1 7a_100000210849_100000042594 [0,0,0,0,0,2|2,0,0]=4 11559 B14R1.422 CC(=O)OCCCOc1ccncc1 34a_100000212176_100000042594 [0,0,0,0,0,2|2,0,0]=4 11560 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000042594_100000041952 [0,0,0,0,0,2|1,1,0]=4 11561 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000719477_100000042594 [0,0,0,0,0,2|1,1,0]=4 11562 B14R1.422 CC(=O)OCCNCc1ccccc1 34a_100015324214_100009814007 [0,0,0,0,0,2|2,0,0]=4 11563 B14R1.422 CC(=O)OCCOCc1ccccc1 34a_100000210790_100009814007 [0,0,0,0,0,2|1,0,0]=3 11564 B14R1.422 CC(=O)OCCOCc1ccccc1 7a_100000210790_100009814007 [0,0,0,0,0,2|1,0,0]=3 11565 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100000211182_100009814007 [0,0,0,0,0,2|1,1,0]=4 11566 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100009814007_100015291786 [0,0,0,0,0,2|1,1,0]=4 11567 B14R1.422 CC(=O)OCNCCc1ccccc1 34a_100000106460_100009813279 [0,0,0,0,0,2|2,0,0]=4 11568 B14R1.422 CC(=O)OCOCCc1ccccc1 34a_100000210268_100009813279 [0,0,0,0,0,2|2,0,0]=4 11569 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000076356_100011218657 [0,0,0,0,0,2|2,0,0]=4 11570 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000765856_100000076356 [0,0,0,0,0,2|2,0,0]=4 11571 B14R1.422 CC(=O)OCSCSc1ccccc1 62a_100000076356_100011218342 [0,0,0,0,0,2|1,1,0]=4 11572 B14R1.422 CC(=O)OCSCSc1ccccc1 62a_100011218342_100000076356 [0,0,0,0,0,2|1,1,0]=4 11573 B14R1.422 CC(=O)SCCCNc1ccccc1 34a_100000106764_100000038929 [0,0,0,0,0,2|2,0,0]=4 11574 B14R1.422 CC(=O)SCCCOc1ccccc1 34a_100000210340_100000038929 [0,0,0,0,0,2|1,0,0]=3 11575 B14R1.422 CC(=O)SCCCOc1ccccc1 7a_100000210340_100000038929 [0,0,0,0,0,2|1,0,0]=3 11576 B14R1.422 CC(=O)SCCCOc1cccnc1 34a_100000210849_100000038929 [0,0,0,0,0,2|2,0,0]=4 11577 B14R1.422 CC(=O)SCCCOc1cccnc1 7a_100000210849_100000038929 [0,0,0,0,0,2|2,0,0]=4 11578 B14R1.422 CC(=O)SCCCOc1ccncc1 34a_100000212176_100000038929 [0,0,0,0,0,2|2,0,0]=4 11579 B14R1.422 CC(=O)SCCCSc1ccccc1 62a_100000038929_100000041952 [0,0,0,0,0,2|1,1,0]=4 11580 B14R1.422 CC(=O)SCCCSc1ccccc1 62a_100000719477_100000038929 [0,0,0,0,0,2|1,1,0]=4 11581 B14R1.422 CC(=S)OCCCOc1ccccc1 34a_100000210340_200135323944 [0,0,0,0,0,2|1,1,0]=4 11582 B14R1.422 CC(=S)OCCCOc1ccccc1 7a_100000210340_200135323944 [0,0,0,0,0,2|1,1,0]=4 11583 B14R1.422 CC(O)CCCOCc1ccccc1 34a_100000210790_200000718107 [0,0,0,0,0,2|1,0,1]=4 11584 B14R1.422 CC(O)CCCOCc1ccccc1 7a_100000210790_200000718107 [0,0,0,0,0,2|1,0,1]=4 11585 B14R1.422 CC(O)CCOCCc1ccccc1 34a_100000210268_100012276601 [0,0,0,0,0,2|1,0,1]=4 11586 B14R1.422 CC(O)CCOCCc1ccccc1 7a_100000210268_100012276601 [0,0,0,0,0,2|1,0,1]=4 11587 B14R1.422 CC(O)CNCCOc1ccccc1 2230a_100000174943_100011218427 [0,0,0,0,0,2|1,0,1]=4 11588 B14R1.422 CC(O)CNCCOc1ccccc1 2230a_100000210904_100000184471 [0,0,0,0,0,2|1,0,1]=4 11589 B14R1.422 CC(O)CNCCOc1ccccc1 270004a_100000210904_100000758736 [0,0,0,0,0,2|1,0,1]=4 11590 B14R1.422 CC(O)CNCCOc1ccccc1 34a_100000174943_100011218427 [0,0,0,0,0,2|1,0,1]=4 11591 B14R1.422 CC(O)CNCCOc1ccccc1 34a_100000210904_100000184471 [0,0,0,0,0,2|1,0,1]=4 11592 B14R1.422 CC(O)CNCOCc1ccccc1 2230a_100000210904_100000763385 [0,0,0,0,0,2|1,0,1]=4 11593 B14R1.422 CC(O)CNCOCc1ccccc1 34a_100000210904_100000763385 [0,0,0,0,0,2|1,0,1]=4 11594 B14R1.422 CC(O)COCCOc1ccccc1 34a_100000210260_100011218427 [0,0,0,0,0,2|1,0,1]=4 11595 B14R1.422 CC(O)COCCOc1ccccc1 7a_100000210260_100011218427 [0,0,0,0,0,2|1,0,1]=4 11596 B14R1.422 CC(O)CSCCOc1ccccc1 62a_100000184471_100011218427 [0,0,0,0,0,2|1,0,1]=4 11597 B14R1.422 CC(O)CSCCOc1ccccc1 62a_100011218427_100000184471 [0,0,0,0,0,2|1,0,1]=4 11598 B14R1.422 CC(O)CSCOCc1ccccc1 62a_100000763385_100011218427 [0,0,0,0,0,2|1,0,1]=4 11599 B14R1.422 CC(O)CSCOCc1ccccc1 62a_100011218427_100000763385 [0,0,0,0,0,2|1,0,1]=4 11600 B14R1.422 C[C@@H](O)CNCCOc1ccccc1 2230a_100000174943_100009817552 [0,0,0,0,0,2|1,0,1]=4 11601 B14R1.422 C[C@@H](O)CNCCOc1ccccc1 34a_100000174943_100009817552 [0,0,0,0,0,2|1,0,1]=4 11602 B14R1.422 C[C@@H](O)COCCOc1ccccc1 34a_100000210260_100009817552 [0,0,0,0,0,2|1,0,1]=4 11603 B14R1.422 C[C@@H](O)COCCOc1ccccc1 7a_100000210260_100009817552 [0,0,0,0,0,2|1,0,1]=4 11604 B14R1.422 C[C@@H](O)CSCCOc1ccccc1 62a_100000184471_100009817552 [0,0,0,0,0,2|1,0,1]=4 11605 B14R1.422 C[C@@H](O)CSCCOc1ccccc1 62a_100009817552_100000184471 [0,0,0,0,0,2|1,0,1]=4 11606 B14R1.422 C[C@@H](O)CSCOCc1ccccc1 62a_100000763385_100009817552 [0,0,0,0,0,2|1,0,1]=4 11607 B14R1.422 C[C@@H](O)CSCOCc1ccccc1 62a_100009817552_100000763385 [0,0,0,0,0,2|1,0,1]=4 11608 B14R1.422 FC(=CCCOCc1ccccc1)F 34a_100000210790_200009816681 [0,0,0,0,0,2|2,0,0]=4 11609 B14R1.422 FC(=CCCOCc1ccccc1)F 7a_100000210790_200009816681 [0,0,0,0,0,2|2,0,0]=4 11610 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100000739312_100015291786 [0,0,0,0,0,2|2,0,0]=4 11611 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100015324214_100102525003 [0,0,0,0,0,2|2,0,0]=4 11612 B14R1.422 NC(=O)CCCOCc1ccccc1 34a_100000210790_100102525003 [0,0,0,0,0,2|1,0,0]=3 11613 B14R1.422 NC(=O)CCCOCc1ccccc1 7a_100000210790_100102525003 [0,0,0,0,0,2|1,0,0]=3 11614 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100000211182_100102525003 [0,0,0,0,0,2|1,1,0]=4 11615 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100102525003_100015291786 [0,0,0,0,0,2|1,1,0]=4 11616 B14R1.422 NC(=O)CCNCCc1ccccc1 2230a_100000106460_100000744528 [0,0,0,0,0,2|2,0,0]=4 11617 B14R1.422 NC(=O)CCNCCc1ccccc1 34a_100000106460_100000731001 [0,0,0,0,0,2|2,0,0]=4 11618 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000210268_100000731001 [0,0,0,0,0,2|1,0,0]=3 11619 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000757172_100000765856 [0,0,0,0,0,2|1,0,0]=3 11620 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000210268_100000744528 [0,0,0,0,0,2|1,0,0]=3 11621 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000757172_100000765856 [0,0,0,0,0,2|1,0,0]=3 11622 B14R1.422 NC(=O)CCOCCc1ccccn1 34a_100000210271_100000731001 [0,0,0,0,0,2|2,0,0]=4 11623 B14R1.422 NC(=O)CCOCCc1ccccn1 7a_100000757172_100015183660 [0,0,0,0,0,2|2,0,0]=4 11624 B14R1.422 NC(=O)CCOCCc1cccnc1 34a_100011217484_100000731001 [0,0,0,0,0,2|2,0,0]=4 11625 B14R1.422 NC(=O)CCOCCc1cccnc1 7a_100000757172_200011713674 [0,0,0,0,0,2|2,0,0]=4 11626 B14R1.422 NC(=O)CCOCCc1ccncc1 34a_100011216225_100000731001 [0,0,0,0,0,2|2,0,0]=4 11627 B14R1.422 NC(=O)CCOCCc1ccncc1 7a_100000757172_100000723409 [0,0,0,0,0,2|2,0,0]=4 11628 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000744528_100011218657 [0,0,0,0,0,2|1,1,0]=4 11629 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000765856_100000744528 [0,0,0,0,0,2|1,1,0]=4 11630 B14R1.422 NC(=O)CCSCSc1ccccc1 62a_100000744528_100011218342 [0,0,0,0,0,2|1,1,0]=4 11631 B14R1.422 NC(=O)CCSCSc1ccccc1 62a_100011218342_100000744528 [0,0,0,0,0,2|1,1,0]=4 11632 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100000711301_100016265936 [0,0,0,0,0,2|2,0,0]=4 11633 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747473 [0,0,0,0,0,2|2,0,0]=4 11634 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000187820 [0,0,0,0,0,2|2,0,0]=4 11635 B14R1.422 NC(=O)CNCC#Cc1ccccc1 2230a_100000711301_100011352542 [0,0,0,0,0,2|2,0,0]=4 11636 B14R1.422 NC(=O)CNCC#Cc1ccccc1 34a_100000735379_100000187820 [0,0,0,0,0,2|2,0,0]=4 11637 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747473 [0,0,0,0,0,2|2,0,0]=4 11638 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000711301_100000211621 [0,0,0,0,0,2|2,0,0]=4 11639 B14R1.422 NC(=O)CNCCCc1ccccc1 34a_100000211184_100000187820 [0,0,0,0,0,2|2,0,0]=4 11640 B14R1.422 NC(=O)CNCCOc1ccccc1 2230a_100000174943_100000747473 [0,0,0,0,0,2|1,0,0]=3 11641 B14R1.422 NC(=O)CNCCOc1ccccc1 2230a_100000711301_100000184471 [0,0,0,0,0,2|1,0,0]=3 11642 B14R1.422 NC(=O)CNCCOc1ccccc1 34a_100000174943_100000187820 [0,0,0,0,0,2|1,0,0]=3 11643 B14R1.422 NC(=O)CNCCOc1ccccn1 2230a_106741647558_100000747473 [0,0,0,0,0,2|2,0,0]=4 11644 B14R1.422 NC(=O)CNCCOc1cccnc1 2230a_100000754688_100000747473 [0,0,0,0,0,2|2,0,0]=4 11645 B14R1.422 NC(=O)CNCCSc1ccccc1 2230a_100000189519_100000747473 [0,0,0,0,0,2|1,1,0]=4 11646 B14R1.422 NC(=O)CNCCSc1ccccc1 2230a_100000711301_100000246102 [0,0,0,0,0,2|1,1,0]=4 11647 B14R1.422 NC(=O)CNCOCc1ccccc1 2230a_100000711301_100000763385 [0,0,0,0,0,2|1,0,0]=3 11648 B14R1.422 NC(=O)CNCSCc1ccccc1 2230a_100000711301_200011217039 [0,0,0,0,0,2|1,1,0]=4 11649 B14R1.422 NC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000187820 [0,0,0,0,0,2|2,0,0]=4 11650 B14R1.422 NC(=O)COCC#Cc1ccccc1 34a_100011217464_100000187820 [0,0,0,0,0,2|2,0,0]=4 11651 B14R1.422 NC(=O)COCC#Cc1ccccc1 7a_100011217464_100000187820 [0,0,0,0,0,2|2,0,0]=4 11652 B14R1.422 NC(=O)COCCCc1ccccc1 34a_100000210828_100000187820 [0,0,0,0,0,2|2,0,0]=4 11653 B14R1.422 NC(=O)COCCCc1ccccc1 7a_100000210828_100000187820 [0,0,0,0,0,2|2,0,0]=4 11654 B14R1.422 NC(=O)COCCNc1ccccc1 34a_100000106764_100000076697 [0,0,0,0,0,2|2,0,0]=4 11655 B14R1.422 NC(=O)COCCNc1ccccc1 34a_100000211345_100000187820 [0,0,0,0,0,2|2,0,0]=4 11656 B14R1.422 NC(=O)COCCOc1ccccc1 34a_100000210260_100000187820 [0,0,0,0,0,2|1,0,0]=3 11657 B14R1.422 NC(=O)COCCOc1ccccc1 34a_100000210340_100000076697 [0,0,0,0,0,2|1,0,0]=3 11658 B14R1.422 NC(=O)COCCOc1ccccc1 7a_100000210260_100000187820 [0,0,0,0,0,2|1,0,0]=3 11659 B14R1.422 NC(=O)COCCOc1ccccc1 7a_100000210340_100000076697 [0,0,0,0,0,2|1,0,0]=3 11660 B14R1.422 NC(=O)COCCOc1cccnc1 34a_100000210849_100000076697 [0,0,0,0,0,2|2,0,0]=4 11661 B14R1.422 NC(=O)COCCOc1cccnc1 7a_100000210849_100000076697 [0,0,0,0,0,2|2,0,0]=4 11662 B14R1.422 NC(=O)COCCOc1ccncc1 34a_100000212176_100000076697 [0,0,0,0,0,2|2,0,0]=4 11663 B14R1.422 NC(=O)COCCSc1ccccc1 62a_100000076697_100000041952 [0,0,0,0,0,2|1,1,0]=4 11664 B14R1.422 NC(=O)COCCSc1ccccc1 62a_100000719477_100000076697 [0,0,0,0,0,2|1,1,0]=4 11665 B14R1.422 NC(=O)COCCSc1ccccc1 7a_100000230494_100000187820 [0,0,0,0,0,2|1,1,0]=4 11666 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100000747473_100016265936 [0,0,0,0,0,2|2,0,0]=4 11667 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747473 [0,0,0,0,0,2|2,0,0]=4 11668 B14R1.422 NC(=O)CSCC#Cc1ccccc1 62a_100000747473_100011352542 [0,0,0,0,0,2|2,0,0]=4 11669 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000211621_100000747473 [0,0,0,0,0,2|2,0,0]=4 11670 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000747473_100000211621 [0,0,0,0,0,2|2,0,0]=4 11671 B14R1.422 NC(=O)CSCCOc1ccccc1 62a_100000184471_100000747473 [0,0,0,0,0,2|1,0,0]=3 11672 B14R1.422 NC(=O)CSCCOc1ccccc1 62a_100000747473_100000184471 [0,0,0,0,0,2|1,0,0]=3 11673 B14R1.422 NC(=O)CSCCSc1ccccc1 62a_100000246102_100000747473 [0,0,0,0,0,2|1,1,0]=4 11674 B14R1.422 NC(=O)CSCCSc1ccccc1 62a_100000747473_100000246102 [0,0,0,0,0,2|1,1,0]=4 11675 B14R1.422 NC(=O)CSCOCc1ccccc1 62a_100000747473_100000763385 [0,0,0,0,0,2|1,0,0]=3 11676 B14R1.422 NC(=O)CSCOCc1ccccc1 62a_100000763385_100000747473 [0,0,0,0,0,2|1,0,0]=3 11677 B14R1.422 NC(=O)CSCSCc1ccccc1 62a_100000747473_200011217039 [0,0,0,0,0,2|1,1,0]=4 11678 B14R1.422 NC(=O)CSCSCc1ccccc1 62a_200011217039_100000747473 [0,0,0,0,0,2|1,1,0]=4 11679 B14R1.422 NC(=O)NCCNCc1ccccc1 207a_100020590234_100015611070 [0,0,0,0,0,2|2,0,0]=4 11680 B14R1.422 NC(=O)NCCNCc1ccccc1 2230a_100015324214_200000034859 [0,0,0,0,0,2|2,0,0]=4 11681 B14R1.422 NC(=O)NCCNCc1ccccc1 34a_100020590234_100015291786 [0,0,0,0,0,2|2,0,0]=4 11682 B14R1.422 NC(=O)NCCOCc1ccccc1 34a_100000181757_100015291786 [0,0,0,0,0,2|1,0,0]=3 11683 B14R1.422 NC(=O)NCCOCc1ccccc1 7a_100000210790_200000034859 [0,0,0,0,0,2|1,0,0]=3 11684 B14R1.422 NC(=O)NCCOCc1ccccn1 34a_100000181757_100000721315 [0,0,0,0,0,2|2,0,0]=4 11685 B14R1.422 NC(=O)NCCOCc1cccnc1 34a_100000181757_100000733263 [0,0,0,0,0,2|2,0,0]=4 11686 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_100000211182_200000034859 [0,0,0,0,0,2|1,1,0]=4 11687 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_200000034859_100015291786 [0,0,0,0,0,2|1,1,0]=4 11688 B14R1.422 NC(=O)OCCNCc1ccccc1 34a_100015324214_200011214921 [0,0,0,0,0,2|2,0,0]=4 11689 B14R1.422 NC(=O)OCCOCc1ccccc1 34a_100000210790_200011214921 [0,0,0,0,0,2|1,0,0]=3 11690 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000210790_200011214921 [0,0,0,0,0,2|1,0,0]=3 11691 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000766696_100000211182 [0,0,0,0,0,2|1,0,0]=3 11692 B14R1.422 NC(=O)OCCOCc1ccccn1 7a_100000766696_100000721315 [0,0,0,0,0,2|2,0,0]=4 11693 B14R1.422 NC(=O)OCCOCc1cccnc1 7a_100000766696_100000741622 [0,0,0,0,0,2|2,0,0]=4 11694 B14R1.422 NC(=O)OCCOCc1ccncc1 7a_100000766696_100015193705 [0,0,0,0,0,2|2,0,0]=4 11695 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_100000211182_200011214921 [0,0,0,0,0,2|1,1,0]=4 11696 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_200011214921_100015291786 [0,0,0,0,0,2|1,1,0]=4 11697 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [0,0,0,0,0,2|1,0,0]=3 11698 B14R1.422 O=C(O)CNCC#Cc1ccccc1 269956a_100016091260_100011352542 [0,0,0,0,0,2|1,0,0]=3 11699 B14R1.422 O=C(O)CNCCCc1ccccc1 269956a_100016091260_100000211621 [0,0,0,0,0,2|1,0,0]=3 11700 B14R1.422 O=C(O)CNCCOc1ccccc1 269956a_100016091260_100000184471 [0,0,0,0,0,2|0,0,0]=2 11701 B14R1.422 O=C(O)CNCCSc1ccccc1 269956a_100016091260_100000246102 [0,0,0,0,0,2|0,1,0]=3 11702 B14R1.422 O=C(O)CNCOCc1ccccc1 269956a_100016091260_100000763385 [0,0,0,0,0,2|0,0,0]=2 11703 B14R1.422 O=C(O)CNCSCc1ccccc1 269956a_100016091260_200011217039 [0,0,0,0,0,2|0,1,0]=3 11704 B14R1.422 O=C(O)CONCCc1ccccc1 269956a_100000106656_100000765856 [0,0,0,0,0,2|1,0,0]=3 11705 B14R1.422 O=C(O)CONCCc1ccccn1 269956a_100000106656_100015183660 [0,0,0,0,0,2|2,0,0]=4 11706 B14R1.422 O=C(O)CONCCc1cccnc1 269956a_100000106656_200011713674 [0,0,0,0,0,2|2,0,0]=4 11707 B14R1.422 O=C(O)CONCCc1ccncc1 269956a_100000106656_100000723409 [0,0,0,0,0,2|2,0,0]=4 11708 B14R1.422 O=C(O)CONCSc1ccccc1 269956a_100000106656_100011218342 [0,0,0,0,0,2|0,1,0]=3 11709 B14R1.422 O=C([O-])CNC/C=C/c1ccccc1 34a_100020603302_100020667443 [0,0,0,0,0,2|1,0,1]=4 11710 B14R1.422 O=C([O-])CNCC#Cc1ccccc1 34a_100000735379_100020667443 [0,0,0,0,0,2|1,0,1]=4 11711 B14R1.422 O=C([O-])CNCCCc1ccccc1 34a_100000211184_100020667443 [0,0,0,0,0,2|1,0,1]=4 11712 B14R1.422 O=C([O-])CNCCOc1ccccc1 34a_100000174943_100020667443 [0,0,0,0,0,2|0,0,1]=3 11713 B14R1.422 O=C([O-])COC/C=C/c1ccccc1 34a_100000210256_100020667443 [0,0,0,0,0,2|1,0,1]=4 11714 B14R1.422 O=C([O-])COCC#Cc1ccccc1 34a_100011217464_100020667443 [0,0,0,0,0,2|1,0,1]=4 11715 B14R1.422 O=C([O-])COCCCc1ccccc1 34a_100000210828_100020667443 [0,0,0,0,0,2|1,0,1]=4 11716 B14R1.422 O=C([O-])COCCNc1ccccc1 34a_100000211345_100020667443 [0,0,0,0,0,2|1,0,1]=4 11717 B14R1.422 O=C([O-])COCCOc1ccccc1 34a_100000210260_100020667443 [0,0,0,0,0,2|0,0,1]=3 11718 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100016265936_100020667443 [0,0,0,0,0,2|1,0,1]=4 11719 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100020667443_100016265936 [0,0,0,0,0,2|1,0,1]=4 11720 B14R1.422 O=C([O-])CSCC#Cc1ccccc1 62a_100020667443_100011352542 [0,0,0,0,0,2|1,0,1]=4 11721 B14R1.422 O=C([O-])CSCCCc1ccccc1 62a_100000211621_100020667443 [0,0,0,0,0,2|1,0,1]=4 11722 B14R1.422 O=C([O-])CSCCCc1ccccc1 62a_100020667443_100000211621 [0,0,0,0,0,2|1,0,1]=4 11723 B14R1.422 O=C([O-])CSCCOc1ccccc1 62a_100000184471_100020667443 [0,0,0,0,0,2|0,0,1]=3 11724 B14R1.422 O=C([O-])CSCCOc1ccccc1 62a_100020667443_100000184471 [0,0,0,0,0,2|0,0,1]=3 11725 B14R1.422 O=C([O-])CSCCSc1ccccc1 62a_100000246102_100020667443 [0,0,0,0,0,2|0,1,1]=4 11726 B14R1.422 O=C([O-])CSCCSc1ccccc1 62a_100020667443_100000246102 [0,0,0,0,0,2|0,1,1]=4 11727 B14R1.422 O=C([O-])CSCOCc1ccccc1 62a_100000763385_100020667443 [0,0,0,0,0,2|0,0,1]=3 11728 B14R1.422 O=C([O-])CSCOCc1ccccc1 62a_100020667443_100000763385 [0,0,0,0,0,2|0,0,1]=3 11729 B14R1.422 O=C([O-])CSCSCc1ccccc1 62a_100020667443_200011217039 [0,0,0,0,0,2|0,1,1]=4 11730 B14R1.422 O=C([O-])CSCSCc1ccccc1 62a_200011217039_100020667443 [0,0,0,0,0,2|0,1,1]=4 11731 B14R1.422 O=[N+]([O-])CCCOCc1ccccc1 34a_200000037920_100015291786 [0,0,0,0,0,2|1,0,1]=4 11732 B14R1.422 O=[N+]([O-])CNCCOc1ccccc1 34a_100000174943_100000761209 [0,0,0,0,0,2|1,0,1]=4 11733 B14R1.422 O=[N+]([O-])COCCOc1ccccc1 34a_100000210260_100000761209 [0,0,0,0,0,2|1,0,1]=4 11734 B14R1.422 O=[N+]([O-])CSCCOc1ccccc1 62a_100000184471_100000761209 [0,0,0,0,0,2|1,0,1]=4 11735 B14R1.422 O=[N+]([O-])CSCOCc1ccccc1 62a_100000763385_100000761209 [0,0,0,0,0,2|1,0,1]=4 11736 B14R1.422 OB(O)CCCCOc1ccccc1 34a_100000210340_200009817182 [0,0,0,0,0,2|1,0,1]=4 11737 B14R1.422 OB(O)CCCCOc1ccccc1 7a_100000210340_200009817182 [0,0,0,0,0,2|1,0,1]=4 11738 B14R1.422 [13CH3]C(=O)CCCCCc1ccccc1 1458a_100011216832_200025704644 [0,0,0,0,0,2|2,0,0]=4 11739 B14R1.422 [13CH3]C(=O)CCCCOc1ccccc1 1458a_200011216290_200025704644 [0,0,0,0,0,2|1,0,0]=3 11740 B14R1.422 [13CH3]C(=O)CCCOCc1ccccc1 1458a_100000748059_200025704644 [0,0,0,0,0,2|1,0,0]=3 11741 B14R1.422 [13CH3]C(=O)CSCCOc1ccccc1 1458a_200000150159_200025704644 [0,0,0,0,0,2|1,0,0]=3