0 B15R2.283 Cc1nc(co1)CNc2ccccc2 207a_100000106764_100011361629 [0,0,0,0,0,0|2,0,2]=4 1 B15R2.283 Cc1nc(no1)CCc2ccccc2 270196a_100000212256_100000070787 [0,0,0,0,0,0|2,0,1]=3 2 B15R2.283 Cc1nc(no1)CNc2ccccc2 34a_100000106764_100000231061 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.283 Cc1nc(no1)COc2ccccc2 270196a_100000169432_100000070787 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.283 Cc1nc(no1)COc2ccccc2 34a_100000210340_100000231061 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.283 Cc1nc(no1)COc2ccccc2 7a_100000210340_100000231061 [0,0,0,0,0,0|3,0,1]=4 6 B15R2.283 Cc1nc(no1)CSc2ccccc2 270196a_100000150715_100000070787 [0,0,0,0,0,0|3,0,1]=4 7 B15R2.283 Cc1nc(no1)CSc2ccccc2 62a_100000231061_100000041952 [0,0,0,0,0,0|3,0,1]=4 8 B15R2.283 Cc1nc(no1)CSc2ccccc2 62a_100000719477_100000231061 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.283 Cc1nc(no1)NCc2ccccc2 27a_100015324214_100012003639 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.283 Cc1nc(no1)SCc2ccccc2 62a_100000211182_100012003639 [0,0,0,0,0,0|3,0,1]=4 11 B15R2.283 Cc1nc(no1)SCc2ccccc2 62a_100012003639_100015291786 [0,0,0,0,0,0|3,0,1]=4 12 B15R2.283 Cc1noc(n1)CCc2ccccc2 270196a_100000212224_100000185753 [0,0,0,0,0,0|3,0,1]=4 13 B15R2.283 Nc1csc(n1)SCc2ccccc2 62a_100000211182_200015188442 [0,0,0,0,0,0|3,0,1]=4 14 B15R2.283 Nc1csc(n1)SCc2ccccc2 62a_200015188442_100015291786 [0,0,0,0,0,0|3,0,1]=4 15 B15R2.283 Nc1nc(cs1)SCc2ccccc2 62a_100000211182_100011998049 [0,0,0,0,0,0|1,1,2]=4 16 B15R2.283 Nc1nc(cs1)SCc2ccccc2 62a_100011998049_100015291786 [0,0,0,0,0,0|1,1,2]=4 17 B15R2.283 Nc1nc(n[nH]1)SCc2ccccc2 62a_100000211182_100015184587 [0,0,0,0,0,0|3,0,1]=4 18 B15R2.283 Nc1nc(n[nH]1)SCc2ccccc2 62a_100015184587_100015291786 [0,0,0,0,0,0|3,0,1]=4 19 B15R2.283 O=C1C=C(CO1)CNc2ccccc2 34a_100000106764_100000716558 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.283 O=C1C=C(CO1)COc2ccccc2 34a_100000210340_100000716558 [0,0,0,0,0,0|3,0,1]=4 21 B15R2.283 O=C1C=C(CO1)CSc2ccccc2 62a_100000716558_100000041952 [0,0,0,0,0,0|3,0,1]=4 22 B15R2.283 O=C1C=C(CO1)CSc2ccccc2 62a_100000719477_100000716558 [0,0,0,0,0,0|3,0,1]=4 23 B15R2.283 O=C1CC(CN1)NCc2ccccc2 207a_100000697751_100015611070 [0,0,0,0,0,0|4,0,0]=4 24 B15R2.283 O=C1CC(CN1)NCc2ccccc2 2230a_100000697751_100015291786 [0,0,0,0,0,0|4,0,0]=4 25 B15R2.283 O=C1CC(CN1)OCc2ccccc2 34a_100000690082_100015291786 [0,0,0,0,0,0|4,0,0]=4 26 B15R2.283 O=C1CCC(C1)OCc2ccccc2 34a_100012614533_100015291786 [0,0,0,0,0,0|4,0,0]=4 27 B15R2.283 O=C1CC[C@H](N1)COc2ccccc2 7a_100000210340_100015189358 [0,0,0,0,0,0|3,0,1]=4 28 B15R2.283 O=C1CC[C@H](N1)CSc2ccccc2 62a_100000719477_100015189358 [0,0,0,0,0,0|3,0,1]=4 29 B15R2.283 O=C1CC[C@H](N1)CSc2ccccc2 62a_100015189358_100000041952 [0,0,0,0,0,0|3,0,1]=4 30 B15R2.283 O=C1CN(CN1)CCc2ccccc2 2230a_200000708111_100000765856 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.283 O=C1NCC(O1)CNc2ccccc2 34a_100000106764_100000181169 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.283 O=C1NCC(O1)COc2ccccc2 34a_100000210340_100000181169 [0,0,0,0,0,0|4,0,0]=4 33 B15R2.283 O=C1NCC(O1)COc2ccccc2 7a_100000210340_100000181169 [0,0,0,0,0,0|4,0,0]=4 34 B15R2.283 O=C1NCC(O1)CSc2ccccc2 62a_100000181169_100000041952 [0,0,0,0,0,0|4,0,0]=4 35 B15R2.283 O=C1NCC(O1)CSc2ccccc2 62a_100000719477_100000181169 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.283 O=C1N[C@H](CO1)CNc2ccccc2 34a_100000106764_100015307671 [0,0,0,0,0,0|2,0,1]=3 37 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 34a_100000210340_100015307671 [0,0,0,0,0,0|2,0,1]=3 38 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 7a_100000210340_100015307671 [0,0,0,0,0,0|2,0,1]=3 39 B15R2.283 O=C1N[C@H](CO1)COc2cccnc2 34a_100000210849_100015307671 [0,0,0,0,0,0|3,0,1]=4 40 B15R2.283 O=C1N[C@H](CO1)COc2cccnc2 7a_100000210849_100015307671 [0,0,0,0,0,0|3,0,1]=4 41 B15R2.283 O=C1N[C@H](CO1)COc2ccncc2 34a_100000212176_100015307671 [0,0,0,0,0,0|3,0,1]=4 42 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100000719477_100015307671 [0,0,0,0,0,0|2,0,1]=3 43 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100015307671_100000041952 [0,0,0,0,0,0|2,0,1]=3 44 B15R2.283 O=C1N[C@H](CO1)CSc2ccccn2 62a_100011216584_100015307671 [0,0,0,0,0,0|3,0,1]=4 45 B15R2.283 O=C1N[C@H](CO1)CSc2ccccn2 62a_100015307671_100011216584 [0,0,0,0,0,0|3,0,1]=4 46 B15R2.283 O=C1N[C@H](CO1)CSc2cccnc2 62a_100000210063_100015307671 [0,0,0,0,0,0|3,0,1]=4 47 B15R2.283 O=C1N[C@H](CO1)CSc2cccnc2 62a_100015307671_100000210063 [0,0,0,0,0,0|3,0,1]=4 48 B15R2.283 O=C1N[C@H](CO1)CSc2ccncc2 62a_100000728582_100015307671 [0,0,0,0,0,0|3,0,1]=4 49 B15R2.283 O=C1N[C@H](CO1)CSc2ccncc2 62a_100015307671_100000728582 [0,0,0,0,0,0|3,0,1]=4 50 B15R2.283 O=C1OCC(O1)CNc2ccccc2 34a_100000106764_100000073702 [0,0,0,0,0,0|3,0,0]=3 51 B15R2.283 O=C1OCC(O1)COc2ccccc2 34a_100000210340_100000073702 [0,0,0,0,0,0|3,0,0]=3 52 B15R2.283 O=C1OCC(O1)COc2cccnc2 34a_100000210849_100000073702 [0,0,0,0,0,0|4,0,0]=4 53 B15R2.283 O=C1OCC(O1)COc2ccncc2 34a_100000212176_100000073702 [0,0,0,0,0,0|4,0,0]=4 54 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000073702_100000041952 [0,0,0,0,0,0|3,0,0]=3 55 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000719477_100000073702 [0,0,0,0,0,0|3,0,0]=3 56 B15R2.283 O=C1OCC(O1)CSc2ccccn2 62a_100000073702_100011216584 [0,0,0,0,0,0|4,0,0]=4 57 B15R2.283 O=C1OCC(O1)CSc2ccccn2 62a_100011216584_100000073702 [0,0,0,0,0,0|4,0,0]=4 58 B15R2.283 O=C1OCC(O1)CSc2cccnc2 62a_100000073702_100000210063 [0,0,0,0,0,0|4,0,0]=4 59 B15R2.283 O=C1OCC(O1)CSc2cccnc2 62a_100000210063_100000073702 [0,0,0,0,0,0|4,0,0]=4 60 B15R2.283 O=C1OCC(O1)CSc2ccncc2 62a_100000073702_100000728582 [0,0,0,0,0,0|4,0,0]=4 61 B15R2.283 O=C1OCC(O1)CSc2ccncc2 62a_100000728582_100000073702 [0,0,0,0,0,0|4,0,0]=4 62 B15R2.283 O=C1OCC(O1)NCc2ccccc2 34a_100015324214_100000032252 [0,0,0,0,0,0|3,0,0]=3 63 B15R2.283 O=C1OCC(O1)OCc2ccccc2 34a_100000210790_100000032252 [0,0,0,0,0,0|3,0,0]=3 64 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [0,0,0,0,0,0|3,0,0]=3 65 B15R2.283 O=C1OCC(O1)SCc2ccccn2 62a_100000721315_100000032252 [0,0,0,0,0,0|4,0,0]=4 66 B15R2.283 O=C1OCC(O1)SCc2cccnc2 62a_100000741622_100000032252 [0,0,0,0,0,0|4,0,0]=4 67 B15R2.283 O=C1OCC(O1)SCc2ccncc2 62a_100015193705_100000032252 [0,0,0,0,0,0|4,0,0]=4 68 B15R2.283 Oc1nc(no1)CCc2ccccc2 270196a_100000212256_100015183105 [0,0,0,0,0,0|2,0,1]=3 69 B15R2.283 Oc1nc(no1)COc2ccccc2 270196a_100000169432_100015183105 [0,0,0,0,0,0|3,0,1]=4 70 B15R2.283 Oc1nc(no1)CSc2ccccc2 270196a_100000150715_100015183105 [0,0,0,0,0,0|3,0,1]=4 71 B14R2.101 C1=CCC(C1)NCc2ccccc2 207a_100015188752_100015611070 [1,0,0,0,0,0|3,0,0]=4 72 B14R2.101 C1=CCC(C1)NCc2ccccc2 2230a_100015188752_100015291786 [1,0,0,0,0,0|3,0,0]=4 73 B14R2.101 C1=CCC(C1)NCc2ccccc2 270004a_100015188752_100015611070 [1,0,0,0,0,0|3,0,0]=4 74 B14R2.101 C1=CCN(C1)CCc2ccccc2 269982a_100015195280_100000765856 [1,0,0,0,0,0|3,0,0]=4 75 B14R2.101 c1ccc(cc1)CNC2CCOC2 2230a_100015324214_100000731011 [1,0,0,0,0,0|2,0,1]=4 76 B14R2.101 c1ccc(cc1)CNC2CCOC2 270004a_100015324214_100000752484 [1,0,0,0,0,0|2,0,1]=4 77 B14R2.101 c1ccc(cc1)CNC2CCOC2 34a_100015324214_100000690089 [1,0,0,0,0,0|2,0,1]=4 78 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 207a_200015188469_100015611070 [1,0,0,0,0,0|2,0,1]=4 79 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 2230a_200015188469_100015291786 [1,0,0,0,0,0|2,0,1]=4 80 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 270004a_200015188469_100015611070 [1,0,0,0,0,0|2,0,1]=4 81 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 207a_100015188467_100015611070 [1,0,0,0,0,0|2,0,1]=4 82 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 2230a_100015188467_100015291786 [1,0,0,0,0,0|2,0,1]=4 83 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 270004a_100015188467_100015611070 [1,0,0,0,0,0|2,0,1]=4 84 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 34a_100015188467_100015291786 [1,0,0,0,0,0|2,0,1]=4 85 B14R2.101 c1ccc(cc1)COC2CCOC2 34a_100000210790_100000690089 [1,0,0,0,0,0|2,0,1]=4 86 B14R2.101 c1ccc(cc1)COC2CCOC2 7a_100000210790_100000731011 [1,0,0,0,0,0|2,0,1]=4 87 B14R2.101 c1ccc(cc1)CO[C@H]2CCOC2 34a_100000717292_100015291786 [1,0,0,0,0,0|2,0,1]=4 88 B14R2.101 c1ccc(cc1)CSC2CCOC2 62a_100000211182_100000690089 [1,0,0,0,0,0|2,0,1]=4 89 B14R2.101 c1ccc(cc1)NCC2CCOC2 34a_100000106764_100011261433 [1,0,0,0,0,0|2,0,1]=4 90 B14R2.101 c1ccc(cc1)NCc2ncon2 34a_100000106764_100000233494 [1,0,0,0,0,0|2,0,1]=4 91 B14R2.101 c1ccc(cc1)OCC2CCOC2 34a_100000210340_100011261433 [1,0,0,0,0,0|2,0,1]=4 92 B14R2.101 c1ccc(cc1)OCC2CCOC2 7a_100000210340_100000702531 [1,0,0,0,0,0|2,0,1]=4 93 B14R2.101 c1ccc(cc1)OCc2ncon2 34a_100000210340_100000233494 [1,0,0,0,0,0|2,0,1]=4 94 B14R2.101 c1ccc(cc1)SCC2CCOC2 62a_100000702531_100000041952 [1,0,0,0,0,0|2,0,1]=4 95 B14R2.101 c1ccc(cc1)SCC2CCOC2 62a_100000719477_100000702531 [1,0,0,0,0,0|2,0,1]=4 96 B14R2.101 c1ccc(cc1)SCc2ncon2 62a_100000233494_100000041952 [1,0,0,0,0,0|2,0,1]=4 97 B14R2.101 c1ccc(cc1)SCc2ncon2 62a_100000719477_100000233494 [1,0,0,0,0,0|2,0,1]=4 98 B16R2.137 Cc1ccc(cc1)CNC2COC(=O)O2 34a_100000174908_100000032252 [0,1,0,0,0,0|3,0,0]=4 99 B16R2.137 Cc1ccc(cc1)COC2COC(=O)O2 34a_100011215236_100000032252 [0,1,0,0,0,0|3,0,0]=4 100 B16R2.137 Cc1ccc(cc1)CSC2COC(=O)O2 62a_100000210814_100000032252 [0,1,0,0,0,0|3,0,0]=4 101 B16R2.137 Cc1ccc(cc1)NCC2COC(=O)O2 34a_100000124888_100000073702 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.137 Cc1ccc(cc1)NC[C@H]2COC(=O)N2 34a_100000124888_100015307671 [0,1,0,0,0,0|2,0,1]=4 103 B16R2.137 Cc1ccc(cc1)OCC2COC(=O)O2 34a_100000210336_100000073702 [0,1,0,0,0,0|3,0,0]=4 104 B16R2.137 Cc1ccc(cc1)OC[C@H]2COC(=O)N2 34a_100000210336_100015307671 [0,1,0,0,0,0|2,0,1]=4 105 B16R2.137 Cc1ccc(cc1)OC[C@H]2COC(=O)N2 7a_100000210336_100015307671 [0,1,0,0,0,0|2,0,1]=4 106 B16R2.137 Cc1ccc(cc1)SCC2COC(=O)O2 62a_100000073702_100000186775 [0,1,0,0,0,0|3,0,0]=4 107 B16R2.137 Cc1ccc(cc1)SCC2COC(=O)O2 62a_100000186775_100000073702 [0,1,0,0,0,0|3,0,0]=4 108 B16R2.137 Cc1ccc(cc1)SC[C@H]2COC(=O)N2 62a_100000186775_100015307671 [0,1,0,0,0,0|2,0,1]=4 109 B16R2.137 Cc1ccc(cc1)SC[C@H]2COC(=O)N2 62a_100015307671_100000186775 [0,1,0,0,0,0|2,0,1]=4 110 B16R2.137 Cc1nc(no1)CCc2ccc(cc2)Br 270196a_100011216407_100000070787 [0,1,0,0,0,0|2,0,1]=4 111 B16R2.137 Cc1nc(no1)CCc2ccc(cc2)Cl 270196a_100011468508_100000070787 [0,1,0,0,0,0|2,0,1]=4 112 B16R2.137 Nc1ccc(cc1)COC2COC(=O)O2 34a_100011215238_100000032252 [0,1,0,0,0,0|3,0,0]=4 113 B16R2.137 Nc1ccc(cc1)OCC2COC(=O)O2 34a_100000185829_100000073702 [0,1,0,0,0,0|3,0,0]=4 114 B16R2.137 Nc1ccc(cc1)OC[C@H]2COC(=O)N2 34a_100000185829_100015307671 [0,1,0,0,0,0|2,0,1]=4 115 B16R2.137 Nc1ccc(cc1)SCC2COC(=O)O2 62a_100000073702_100000185761 [0,1,0,0,0,0|3,0,0]=4 116 B16R2.137 Nc1ccc(cc1)SCC2COC(=O)O2 62a_100000185761_100000073702 [0,1,0,0,0,0|3,0,0]=4 117 B16R2.137 Nc1ccc(cc1)SC[C@H]2COC(=O)N2 62a_100000185761_100015307671 [0,1,0,0,0,0|2,0,1]=4 118 B16R2.137 Nc1ccc(cc1)SC[C@H]2COC(=O)N2 62a_100015307671_100000185761 [0,1,0,0,0,0|2,0,1]=4 119 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Br 2230a_100000210018_100015307671 [0,1,0,0,0,0|2,0,1]=4 120 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Br 34a_100000210018_100015307671 [0,1,0,0,0,0|2,0,1]=4 121 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Cl 2230a_100000210052_100015307671 [0,1,0,0,0,0|2,0,1]=4 122 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Cl 34a_100000210052_100015307671 [0,1,0,0,0,0|2,0,1]=4 123 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)F 34a_100000185862_100015307671 [0,1,0,0,0,0|2,0,1]=4 124 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)I 34a_100000185761_100015307671 [0,1,0,0,0,0|2,0,1]=4 125 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)O 34a_100000185829_100015307671 [0,1,0,0,0,0|2,0,1]=4 126 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Br 34a_100000185759_100015307671 [0,1,0,0,0,0|2,0,1]=4 127 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Br 7a_100000185759_100015307671 [0,1,0,0,0,0|2,0,1]=4 128 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Cl 34a_100000210216_100015307671 [0,1,0,0,0,0|2,0,1]=4 129 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Cl 7a_100000210216_100015307671 [0,1,0,0,0,0|2,0,1]=4 130 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)F 34a_100000210339_100015307671 [0,1,0,0,0,0|2,0,1]=4 131 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)I 34a_100000212066_100015307671 [0,1,0,0,0,0|2,0,1]=4 132 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)I 7a_100000212066_100015307671 [0,1,0,0,0,0|2,0,1]=4 133 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Br 62a_100000752885_100015307671 [0,1,0,0,0,0|2,0,1]=4 134 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Br 62a_100015307671_100000752885 [0,1,0,0,0,0|2,0,1]=4 135 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Cl 62a_100000755918_100015307671 [0,1,0,0,0,0|2,0,1]=4 136 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Cl 62a_100015307671_100000755918 [0,1,0,0,0,0|2,0,1]=4 137 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)F 62a_100000211213_100015307671 [0,1,0,0,0,0|2,0,1]=4 138 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)F 62a_100015307671_100000211213 [0,1,0,0,0,0|2,0,1]=4 139 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)O 62a_100015307671_100000185759 [0,1,0,0,0,0|2,0,1]=4 140 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)Br 34a_100000210018_100000073702 [0,1,0,0,0,0|3,0,0]=4 141 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)Cl 34a_100000210052_100000073702 [0,1,0,0,0,0|3,0,0]=4 142 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)F 34a_100000185862_100000073702 [0,1,0,0,0,0|3,0,0]=4 143 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)I 34a_100000185761_100000073702 [0,1,0,0,0,0|3,0,0]=4 144 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)O 34a_100000185829_100000073702 [0,1,0,0,0,0|3,0,0]=4 145 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)Br 34a_100000185759_100000073702 [0,1,0,0,0,0|3,0,0]=4 146 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)Cl 34a_100000210216_100000073702 [0,1,0,0,0,0|3,0,0]=4 147 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)F 34a_100000210339_100000073702 [0,1,0,0,0,0|3,0,0]=4 148 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)I 34a_100000212066_100000073702 [0,1,0,0,0,0|3,0,0]=4 149 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Br 62a_100000073702_100000752885 [0,1,0,0,0,0|3,0,0]=4 150 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Br 62a_100000752885_100000073702 [0,1,0,0,0,0|3,0,0]=4 151 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Cl 62a_100000073702_100000755918 [0,1,0,0,0,0|3,0,0]=4 152 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Cl 62a_100000755918_100000073702 [0,1,0,0,0,0|3,0,0]=4 153 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)F 62a_100000073702_100000211213 [0,1,0,0,0,0|3,0,0]=4 154 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)F 62a_100000211213_100000073702 [0,1,0,0,0,0|3,0,0]=4 155 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)O 62a_100000073702_100000185759 [0,1,0,0,0,0|3,0,0]=4 156 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)Br 34a_100000174875_100000032252 [0,1,0,0,0,0|3,0,0]=4 157 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)Cl 34a_100000174871_100000032252 [0,1,0,0,0,0|3,0,0]=4 158 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)F 34a_100000174882_100000032252 [0,1,0,0,0,0|3,0,0]=4 159 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)I 34a_100016989417_100000032252 [0,1,0,0,0,0|3,0,0]=4 160 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)O 34a_100000185549_100000032252 [0,1,0,0,0,0|3,0,0]=4 161 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)Br 34a_100000695286_100000032252 [0,1,0,0,0,0|3,0,0]=4 162 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)Cl 34a_100000211118_100000032252 [0,1,0,0,0,0|3,0,0]=4 163 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)F 34a_100000210977_100000032252 [0,1,0,0,0,0|3,0,0]=4 164 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)I 34a_100000690907_100000032252 [0,1,0,0,0,0|3,0,0]=4 165 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)Br 62a_100000189115_100000032252 [0,1,0,0,0,0|3,0,0]=4 166 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)Cl 62a_100000187161_100000032252 [0,1,0,0,0,0|3,0,0]=4 167 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)F 62a_100000198546_100000032252 [0,1,0,0,0,0|3,0,0]=4 168 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)I 62a_100000189116_100000032252 [0,1,0,0,0,0|3,0,0]=4 169 B16R2.137 Oc1nc(no1)CCc2ccc(cc2)Br 270196a_100011216407_100015183105 [0,1,0,0,0,0|2,0,1]=4 170 B16R2.137 Oc1nc(no1)CCc2ccc(cc2)Cl 270196a_100011468508_100015183105 [0,1,0,0,0,0|2,0,1]=4 171 B16R2.258 Cc1cccc(c1)CNC2COC(=O)O2 34a_100000185548_100000032252 [0,1,0,0,0,0|3,0,0]=4 172 B16R2.258 Cc1cccc(c1)COC2COC(=O)O2 34a_100011217746_100000032252 [0,1,0,0,0,0|3,0,0]=4 173 B16R2.258 Cc1cccc(c1)CSC2COC(=O)O2 62a_100000211840_100000032252 [0,1,0,0,0,0|3,0,0]=4 174 B16R2.258 Cc1cccc(c1)NCC2COC(=O)O2 34a_100000188690_100000073702 [0,1,0,0,0,0|3,0,0]=4 175 B16R2.258 Cc1cccc(c1)NC[C@H]2COC(=O)N2 2230a_100000188690_100015307671 [0,1,0,0,0,0|2,0,1]=4 176 B16R2.258 Cc1cccc(c1)NC[C@H]2COC(=O)N2 34a_100000188690_100015307671 [0,1,0,0,0,0|2,0,1]=4 177 B16R2.258 Cc1cccc(c1)OCC2COC(=O)O2 34a_100000210337_100000073702 [0,1,0,0,0,0|3,0,0]=4 178 B16R2.258 Cc1cccc(c1)OC[C@H]2COC(=O)N2 34a_100000210337_100015307671 [0,1,0,0,0,0|2,0,1]=4 179 B16R2.258 Cc1cccc(c1)OC[C@H]2COC(=O)N2 7a_100000210337_100015307671 [0,1,0,0,0,0|2,0,1]=4 180 B16R2.258 Cc1cccc(c1)SCC2COC(=O)O2 62a_100000073702_100011215228 [0,1,0,0,0,0|3,0,0]=4 181 B16R2.258 Cc1cccc(c1)SCC2COC(=O)O2 62a_100011215228_100000073702 [0,1,0,0,0,0|3,0,0]=4 182 B16R2.258 Cc1cccc(c1)SC[C@H]2COC(=O)N2 62a_100011215228_100015307671 [0,1,0,0,0,0|2,0,1]=4 183 B16R2.258 Cc1cccc(c1)SC[C@H]2COC(=O)N2 62a_100015307671_100011215228 [0,1,0,0,0,0|2,0,1]=4 184 B16R2.258 Cc1nc(no1)CCc2cccc(c2)Br 270196a_100011219771_100000070787 [0,1,0,0,0,0|2,0,1]=4 185 B16R2.258 Cc1nc(no1)CCc2cccc(c2)Cl 270196a_100011468509_100000070787 [0,1,0,0,0,0|2,0,1]=4 186 B16R2.258 Cc1nc(no1)CCc2cccc(c2)F 270196a_100011468525_100000070787 [0,1,0,0,0,0|2,0,1]=4 187 B16R2.258 Nc1cccc(c1)COC2COC(=O)O2 34a_100000211919_100000032252 [0,1,0,0,0,0|3,0,0]=4 188 B16R2.258 Nc1cccc(c1)OCC2COC(=O)O2 34a_100000210217_100000073702 [0,1,0,0,0,0|3,0,0]=4 189 B16R2.258 Nc1cccc(c1)OC[C@H]2COC(=O)N2 34a_100000210217_100015307671 [0,1,0,0,0,0|2,0,1]=4 190 B16R2.258 Nc1cccc(c1)SCC2COC(=O)O2 62a_100000073702_100000210019 [0,1,0,0,0,0|3,0,0]=4 191 B16R2.258 Nc1cccc(c1)SCC2COC(=O)O2 62a_100000210019_100000073702 [0,1,0,0,0,0|3,0,0]=4 192 B16R2.258 Nc1cccc(c1)SC[C@H]2COC(=O)N2 62a_100000210019_100015307671 [0,1,0,0,0,0|2,0,1]=4 193 B16R2.258 Nc1cccc(c1)SC[C@H]2COC(=O)N2 62a_100015307671_100000210019 [0,1,0,0,0,0|2,0,1]=4 194 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)Br 34a_100000210019_100015307671 [0,1,0,0,0,0|2,0,1]=4 195 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)Cl 34a_100000185859_100015307671 [0,1,0,0,0,0|2,0,1]=4 196 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)F 34a_100000210047_100015307671 [0,1,0,0,0,0|2,0,1]=4 197 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)I 34a_100000211102_100015307671 [0,1,0,0,0,0|2,0,1]=4 198 B16R2.258 O=C1N[C@H](CO1)CNc2cccc(c2)O 34a_100000210217_100015307671 [0,1,0,0,0,0|2,0,1]=4 199 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Br 34a_100000210342_100015307671 [0,1,0,0,0,0|2,0,1]=4 200 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Br 7a_100000210342_100015307671 [0,1,0,0,0,0|2,0,1]=4 201 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Cl 34a_100000210295_100015307671 [0,1,0,0,0,0|2,0,1]=4 202 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)Cl 7a_100000210295_100015307671 [0,1,0,0,0,0|2,0,1]=4 203 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)F 34a_100000210426_100015307671 [0,1,0,0,0,0|2,0,1]=4 204 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)F 7a_100000210426_100015307671 [0,1,0,0,0,0|2,0,1]=4 205 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)I 34a_100000211634_100015307671 [0,1,0,0,0,0|2,0,1]=4 206 B16R2.258 O=C1N[C@H](CO1)COc2cccc(c2)I 7a_100000211634_100015307671 [0,1,0,0,0,0|2,0,1]=4 207 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)Br 62a_100000691529_100015307671 [0,1,0,0,0,0|2,0,1]=4 208 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)Br 62a_100015307671_100000691529 [0,1,0,0,0,0|2,0,1]=4 209 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)Cl 62a_100000699651_100015307671 [0,1,0,0,0,0|2,0,1]=4 210 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)Cl 62a_100015307671_100000699651 [0,1,0,0,0,0|2,0,1]=4 211 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)F 62a_100000685547_100015307671 [0,1,0,0,0,0|2,0,1]=4 212 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)F 62a_100015307671_100000685547 [0,1,0,0,0,0|2,0,1]=4 213 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)O 62a_100015307671_100000211634 [0,1,0,0,0,0|2,0,1]=4 214 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)[S] 62a_100015307671_114929384022 [0,1,0,0,0,0|2,0,1]=4 215 B16R2.258 O=C1N[C@H](CO1)CSc2cccc(c2)[S] 62a_114929384022_100015307671 [0,1,0,0,0,0|2,0,1]=4 216 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)Br 34a_100000210019_100000073702 [0,1,0,0,0,0|3,0,0]=4 217 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)Cl 34a_100000185859_100000073702 [0,1,0,0,0,0|3,0,0]=4 218 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)F 34a_100000210047_100000073702 [0,1,0,0,0,0|3,0,0]=4 219 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)I 34a_100000211102_100000073702 [0,1,0,0,0,0|3,0,0]=4 220 B16R2.258 O=C1OCC(O1)CNc2cccc(c2)O 34a_100000210217_100000073702 [0,1,0,0,0,0|3,0,0]=4 221 B16R2.258 O=C1OCC(O1)COc2cccc(c2)Br 34a_100000210342_100000073702 [0,1,0,0,0,0|3,0,0]=4 222 B16R2.258 O=C1OCC(O1)COc2cccc(c2)Cl 34a_100000210295_100000073702 [0,1,0,0,0,0|3,0,0]=4 223 B16R2.258 O=C1OCC(O1)COc2cccc(c2)F 34a_100000210426_100000073702 [0,1,0,0,0,0|3,0,0]=4 224 B16R2.258 O=C1OCC(O1)COc2cccc(c2)I 34a_100000211634_100000073702 [0,1,0,0,0,0|3,0,0]=4 225 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)Br 62a_100000073702_100000691529 [0,1,0,0,0,0|3,0,0]=4 226 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)Br 62a_100000691529_100000073702 [0,1,0,0,0,0|3,0,0]=4 227 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)Cl 62a_100000073702_100000699651 [0,1,0,0,0,0|3,0,0]=4 228 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)Cl 62a_100000699651_100000073702 [0,1,0,0,0,0|3,0,0]=4 229 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)F 62a_100000073702_100000685547 [0,1,0,0,0,0|3,0,0]=4 230 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)F 62a_100000685547_100000073702 [0,1,0,0,0,0|3,0,0]=4 231 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)O 62a_100000073702_100000211634 [0,1,0,0,0,0|3,0,0]=4 232 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)[S] 62a_100000073702_114929384022 [0,1,0,0,0,0|3,0,0]=4 233 B16R2.258 O=C1OCC(O1)CSc2cccc(c2)[S] 62a_114929384022_100000073702 [0,1,0,0,0,0|3,0,0]=4 234 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)Br 34a_100000174977_100000032252 [0,1,0,0,0,0|3,0,0]=4 235 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)Cl 34a_100000174878_100000032252 [0,1,0,0,0,0|3,0,0]=4 236 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)F 34a_100000174948_100000032252 [0,1,0,0,0,0|3,0,0]=4 237 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)I 34a_100000106179_100000032252 [0,1,0,0,0,0|3,0,0]=4 238 B16R2.258 O=C1OCC(O1)NCc2cccc(c2)O 34a_100000743036_100000032252 [0,1,0,0,0,0|3,0,0]=4 239 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)Br 34a_100000687537_100000032252 [0,1,0,0,0,0|3,0,0]=4 240 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)Cl 34a_100000241301_100000032252 [0,1,0,0,0,0|3,0,0]=4 241 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)F 34a_100000210976_100000032252 [0,1,0,0,0,0|3,0,0]=4 242 B16R2.258 O=C1OCC(O1)OCc2cccc(c2)I 34a_100011215336_100000032252 [0,1,0,0,0,0|3,0,0]=4 243 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)Br 62a_100000211773_100000032252 [0,1,0,0,0,0|3,0,0]=4 244 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)Cl 62a_100000187163_100000032252 [0,1,0,0,0,0|3,0,0]=4 245 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)F 62a_100000230114_100000032252 [0,1,0,0,0,0|3,0,0]=4 246 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)I 62a_100011218688_100000032252 [0,1,0,0,0,0|3,0,0]=4 247 B16R2.258 O=C1OCC(O1)SCc2cccc(c2)O 62a_100011660834_100000032252 [0,1,0,0,0,0|3,0,0]=4 248 B16R2.258 Oc1nc(no1)CCc2cccc(c2)Br 270196a_100011219771_100015183105 [0,1,0,0,0,0|2,0,1]=4 249 B16R2.258 Oc1nc(no1)CCc2cccc(c2)Cl 270196a_100011468509_100015183105 [0,1,0,0,0,0|2,0,1]=4 250 B16R2.258 Oc1nc(no1)CCc2cccc(c2)F 270196a_100011468525_100015183105 [0,1,0,0,0,0|2,0,1]=4 251 B16R2.2334 CCc1nc(no1)CCc2ccccc2 270196a_100000212256_100000210414 [0,1,0,0,0,0|2,0,1]=4 252 B16R2.2334 OCc1nc(no1)CCc2ccccc2 270196a_100000212256_100000210174 [0,1,0,0,0,0|2,0,1]=4 253 B16R2.2829 CC(Cc1csc(n1)N)c2ccccc2 271570a_100000062452_100011998049 [0,1,0,0,0,0|0,1,2]=4 254 B16R2.2829 CC(Cc1n[nH]c(n1)N)c2ccccc2 271570a_100000062452_100015184587 [0,1,0,0,0,0|2,0,1]=4 255 B16R2.2829 CC(Cc1nc(cs1)N)c2ccccc2 271570a_100000062452_200015188442 [0,1,0,0,0,0|2,0,1]=4 256 B16R2.2829 CC(SC1COC(=O)O1)c2ccccc2 62a_100000230085_100000032252 [0,1,0,0,0,0|3,0,0]=4 257 B16R2.2829 CN(CC1COC(=O)O1)c2ccccc2 269982a_100000210012_100000073702 [0,1,0,0,0,0|3,0,0]=4 258 B16R2.2829 CN(CC1COC(=O)O1)c2ccccc2 34a_100000210012_100000073702 [0,1,0,0,0,0|3,0,0]=4 259 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 2230a_100000210012_100015307671 [0,1,0,0,0,0|2,0,1]=4 260 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 269982a_100000210012_100015307671 [0,1,0,0,0,0|2,0,1]=4 261 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 34a_100000210012_100015307671 [0,1,0,0,0,0|2,0,1]=4 262 B16R2.2829 C[C@@H](OC1COC(=O)O1)c2ccccc2 34a_100000761318_100000032252 [0,1,0,0,0,0|3,0,0]=4 263 B16R2.2829 Cc1nc(no1)CC(C)c2ccccc2 271570a_100000062452_100012003639 [0,1,0,0,0,0|2,0,1]=4 264 B16R2.2829 Cc1nc(no1)C[C@@H](O)c2ccccc2 270196a_100009817555_100000070787 [0,1,0,0,0,0|2,0,1]=4 265 B16R2.2829 O=C1N[C@H](CO1)CC(=O)c2ccccc2 1458a_100000185807_100015307671 [0,1,0,0,0,0|1,0,2]=4 266 B16R2.2829 O=C1OCC(O1)CC(=O)c2ccccc2 1458a_100000185807_100000073702 [0,1,0,0,0,0|2,0,1]=4 267 B16R2.2829 Oc1nc(no1)C[C@@H](O)c2ccccc2 270196a_100009817555_100015183105 [0,1,0,0,0,0|2,0,1]=4 268 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccccc2 1458a_100000002200_100015291786 [0,1,0,0,0,0|0,1,1]=3 269 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccccn2 1458a_100000002200_100000721315 [0,1,0,0,0,0|1,1,1]=4 270 B16R2.2843 NC1=NC(CS1)C(=O)Cc2cccnc2 1458a_100000002200_100000733263 [0,1,0,0,0,0|1,1,1]=4 271 B16R2.2843 NC1=NC(CS1)C(=O)Cc2ccncc2 1458a_100000002200_100000705612 [0,1,0,0,0,0|1,1,1]=4 272 B16R2.2843 NC1=NC(CS1)C(=O)Nc2ccccc2 22a_100000106764_100000002200 [0,1,0,0,0,0|1,1,1]=4 273 B16R2.11414 Cc1ccccc1CNC2COC(=O)O2 34a_100000174972_100000032252 [0,1,0,0,0,0|3,0,0]=4 274 B16R2.11414 Cc1ccccc1COC2COC(=O)O2 34a_100000698903_100000032252 [0,1,0,0,0,0|3,0,0]=4 275 B16R2.11414 Cc1ccccc1CSC2COC(=O)O2 62a_100000211839_100000032252 [0,1,0,0,0,0|3,0,0]=4 276 B16R2.11414 Cc1ccccc1NCC2COC(=O)O2 34a_100015192222_100000073702 [0,1,0,0,0,0|3,0,0]=4 277 B16R2.11414 Cc1ccccc1NC[C@H]2COC(=O)N2 34a_100015192222_100015307671 [0,1,0,0,0,0|2,0,1]=4 278 B16R2.11414 Cc1ccccc1OCC2COC(=O)O2 34a_100000210338_100000073702 [0,1,0,0,0,0|3,0,0]=4 279 B16R2.11414 Cc1ccccc1OC[C@H]2COC(=O)N2 34a_100000210338_100015307671 [0,1,0,0,0,0|2,0,1]=4 280 B16R2.11414 Cc1ccccc1OC[C@H]2COC(=O)N2 7a_100000210338_100015307671 [0,1,0,0,0,0|2,0,1]=4 281 B16R2.11414 Cc1ccccc1SCC2COC(=O)O2 62a_100000073702_100000210755 [0,1,0,0,0,0|3,0,0]=4 282 B16R2.11414 Cc1ccccc1SCC2COC(=O)O2 62a_100000210755_100000073702 [0,1,0,0,0,0|3,0,0]=4 283 B16R2.11414 Cc1ccccc1SC[C@H]2COC(=O)N2 62a_100000210755_100015307671 [0,1,0,0,0,0|2,0,1]=4 284 B16R2.11414 Cc1ccccc1SC[C@H]2COC(=O)N2 62a_100015307671_100000210755 [0,1,0,0,0,0|2,0,1]=4 285 B16R2.11414 Cc1nc(no1)CCc2ccccc2Cl 270196a_100011218531_100000070787 [0,1,0,0,0,0|2,0,1]=4 286 B16R2.11414 Nc1ccccc1COC2COC(=O)O2 34a_100000212039_100000032252 [0,1,0,0,0,0|3,0,0]=4 287 B16R2.11414 Nc1ccccc1OCC2COC(=O)O2 34a_100000185747_100000073702 [0,1,0,0,0,0|3,0,0]=4 288 B16R2.11414 Nc1ccccc1OC[C@H]2COC(=O)N2 34a_100000185747_100015307671 [0,1,0,0,0,0|2,0,1]=4 289 B16R2.11414 Nc1ccccc1OC[C@H]2COC(=O)N2 7a_100000185747_100015307671 [0,1,0,0,0,0|2,0,1]=4 290 B16R2.11414 Nc1ccccc1SCC2COC(=O)O2 62a_100000073702_100000210017 [0,1,0,0,0,0|3,0,0]=4 291 B16R2.11414 Nc1ccccc1SCC2COC(=O)O2 62a_100000210017_100000073702 [0,1,0,0,0,0|3,0,0]=4 292 B16R2.11414 Nc1ccccc1SC[C@H]2COC(=O)N2 62a_100000210017_100015307671 [0,1,0,0,0,0|2,0,1]=4 293 B16R2.11414 Nc1ccccc1SC[C@H]2COC(=O)N2 62a_100015307671_100000210017 [0,1,0,0,0,0|2,0,1]=4 294 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2Br 34a_100000210017_100015307671 [0,1,0,0,0,0|2,0,1]=4 295 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2Cl 34a_100000185783_100015307671 [0,1,0,0,0,0|2,0,1]=4 296 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2F 34a_100000210422_100015307671 [0,1,0,0,0,0|2,0,1]=4 297 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2I 34a_100000210053_100015307671 [0,1,0,0,0,0|2,0,1]=4 298 B16R2.11414 O=C1N[C@H](CO1)CNc2ccccc2O 34a_100000185747_100015307671 [0,1,0,0,0,0|2,0,1]=4 299 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Br 34a_100000181306_100015307671 [0,1,0,0,0,0|2,0,1]=4 300 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Br 7a_100000181306_100015307671 [0,1,0,0,0,0|2,0,1]=4 301 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Cl 34a_100000210172_100015307671 [0,1,0,0,0,0|2,0,1]=4 302 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2Cl 7a_100000210172_100015307671 [0,1,0,0,0,0|2,0,1]=4 303 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2F 34a_100000210171_100015307671 [0,1,0,0,0,0|2,0,1]=4 304 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2F 7a_100000210171_100015307671 [0,1,0,0,0,0|2,0,1]=4 305 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2I 34a_100000739446_100015307671 [0,1,0,0,0,0|2,0,1]=4 306 B16R2.11414 O=C1N[C@H](CO1)COc2ccccc2I 7a_100000739446_100015307671 [0,1,0,0,0,0|2,0,1]=4 307 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2Br 62a_100000695589_100015307671 [0,1,0,0,0,0|2,0,1]=4 308 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2Br 62a_100015307671_100000695589 [0,1,0,0,0,0|2,0,1]=4 309 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2Cl 62a_100000764095_100015307671 [0,1,0,0,0,0|2,0,1]=4 310 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2Cl 62a_100015307671_100000764095 [0,1,0,0,0,0|2,0,1]=4 311 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2F 62a_100011215700_100015307671 [0,1,0,0,0,0|2,0,1]=4 312 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2F 62a_100015307671_100011215700 [0,1,0,0,0,0|2,0,1]=4 313 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2O 62a_100000739446_100015307671 [0,1,0,0,0,0|2,0,1]=4 314 B16R2.11414 O=C1N[C@H](CO1)CSc2ccccc2O 62a_100015307671_100000739446 [0,1,0,0,0,0|2,0,1]=4 315 B16R2.11414 O=C1OCC(O1)CNc2ccccc2Br 34a_100000210017_100000073702 [0,1,0,0,0,0|3,0,0]=4 316 B16R2.11414 O=C1OCC(O1)CNc2ccccc2Cl 34a_100000185783_100000073702 [0,1,0,0,0,0|3,0,0]=4 317 B16R2.11414 O=C1OCC(O1)CNc2ccccc2F 34a_100000210422_100000073702 [0,1,0,0,0,0|3,0,0]=4 318 B16R2.11414 O=C1OCC(O1)CNc2ccccc2I 34a_100000210053_100000073702 [0,1,0,0,0,0|3,0,0]=4 319 B16R2.11414 O=C1OCC(O1)CNc2ccccc2O 34a_100000185747_100000073702 [0,1,0,0,0,0|3,0,0]=4 320 B16R2.11414 O=C1OCC(O1)COc2ccccc2Br 34a_100000181306_100000073702 [0,1,0,0,0,0|3,0,0]=4 321 B16R2.11414 O=C1OCC(O1)COc2ccccc2Cl 34a_100000210172_100000073702 [0,1,0,0,0,0|3,0,0]=4 322 B16R2.11414 O=C1OCC(O1)COc2ccccc2F 34a_100000210171_100000073702 [0,1,0,0,0,0|3,0,0]=4 323 B16R2.11414 O=C1OCC(O1)COc2ccccc2I 34a_100000739446_100000073702 [0,1,0,0,0,0|3,0,0]=4 324 B16R2.11414 O=C1OCC(O1)CSc2ccccc2Br 62a_100000073702_100000695589 [0,1,0,0,0,0|3,0,0]=4 325 B16R2.11414 O=C1OCC(O1)CSc2ccccc2Br 62a_100000695589_100000073702 [0,1,0,0,0,0|3,0,0]=4 326 B16R2.11414 O=C1OCC(O1)CSc2ccccc2Cl 62a_100000073702_100000764095 [0,1,0,0,0,0|3,0,0]=4 327 B16R2.11414 O=C1OCC(O1)CSc2ccccc2Cl 62a_100000764095_100000073702 [0,1,0,0,0,0|3,0,0]=4 328 B16R2.11414 O=C1OCC(O1)CSc2ccccc2F 62a_100000073702_100011215700 [0,1,0,0,0,0|3,0,0]=4 329 B16R2.11414 O=C1OCC(O1)CSc2ccccc2F 62a_100011215700_100000073702 [0,1,0,0,0,0|3,0,0]=4 330 B16R2.11414 O=C1OCC(O1)CSc2ccccc2O 62a_100000073702_100000739446 [0,1,0,0,0,0|3,0,0]=4 331 B16R2.11414 O=C1OCC(O1)CSc2ccccc2O 62a_100000739446_100000073702 [0,1,0,0,0,0|3,0,0]=4 332 B16R2.11414 O=C1OCC(O1)NCc2ccccc2Br 34a_100000689332_100000032252 [0,1,0,0,0,0|3,0,0]=4 333 B16R2.11414 O=C1OCC(O1)NCc2ccccc2Cl 34a_100000174879_100000032252 [0,1,0,0,0,0|3,0,0]=4 334 B16R2.11414 O=C1OCC(O1)NCc2ccccc2F 34a_100000174869_100000032252 [0,1,0,0,0,0|3,0,0]=4 335 B16R2.11414 O=C1OCC(O1)NCc2ccccc2O 34a_100000185550_100000032252 [0,1,0,0,0,0|3,0,0]=4 336 B16R2.11414 O=C1OCC(O1)OCc2ccccc2Br 34a_100000756307_100000032252 [0,1,0,0,0,0|3,0,0]=4 337 B16R2.11414 O=C1OCC(O1)OCc2ccccc2Cl 34a_100000210847_100000032252 [0,1,0,0,0,0|3,0,0]=4 338 B16R2.11414 O=C1OCC(O1)OCc2ccccc2F 34a_100000211962_100000032252 [0,1,0,0,0,0|3,0,0]=4 339 B16R2.11414 O=C1OCC(O1)OCc2ccccc2I 34a_100000187465_100000032252 [0,1,0,0,0,0|3,0,0]=4 340 B16R2.11414 O=C1OCC(O1)SCc2ccccc2Br 62a_100000184730_100000032252 [0,1,0,0,0,0|3,0,0]=4 341 B16R2.11414 O=C1OCC(O1)SCc2ccccc2Cl 62a_100000187162_100000032252 [0,1,0,0,0,0|3,0,0]=4 342 B16R2.11414 O=C1OCC(O1)SCc2ccccc2F 62a_100000211605_100000032252 [0,1,0,0,0,0|3,0,0]=4 343 B16R2.11414 O=C1OCC(O1)SCc2ccccc2I 62a_100011216222_100000032252 [0,1,0,0,0,0|3,0,0]=4 344 B16R2.11414 Oc1nc(no1)CCc2ccccc2Cl 270196a_100011218531_100015183105 [0,1,0,0,0,0|2,0,1]=4 345 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100000070787_200011217138 [0,0,1,0,0,0|3,0,0]=4 346 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100011216832_200000210301 [0,0,1,0,0,0|3,0,0]=4 347 B14R1.422 CC(=O)NCCCCc1ccccc1 11a_100015280158_100015343762 [0,0,1,0,0,0|3,0,0]=4 348 B14R1.422 CC(=O)NCCCCc1ccccc1 1626a_100015280158_100015343762 [0,0,1,0,0,0|3,0,0]=4 349 B14R1.422 CC(=O)NCCCCc1ccccc1 240690a_100015280158_100015343762 [0,0,1,0,0,0|3,0,0]=4 350 B14R1.422 CC(=O)NCCCCc1ccccc1 527a_100015280158_100103153847 [0,0,1,0,0,0|3,0,0]=4 351 B14R1.422 CC(=O)OCCCNc1ccccc1 34a_100000106764_100000042594 [0,0,1,0,0,0|3,0,0]=4 352 B14R1.422 CC(=O)OCCCOc1ccccc1 34a_100000210340_100000042594 [0,0,1,0,0,0|3,0,0]=4 353 B14R1.422 CC(=O)OCCCOc1ccccc1 7a_100000210340_100000042594 [0,0,1,0,0,0|3,0,0]=4 354 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000042594_100000041952 [0,0,1,0,0,0|3,0,0]=4 355 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000719477_100000042594 [0,0,1,0,0,0|3,0,0]=4 356 B14R1.422 CC(=O)OCCNCc1ccccc1 34a_100015324214_100009814007 [0,0,1,0,0,0|3,0,0]=4 357 B14R1.422 CC(=O)OCCOCc1ccccc1 34a_100000210790_100009814007 [0,0,1,0,0,0|3,0,0]=4 358 B14R1.422 CC(=O)OCCOCc1ccccc1 7a_100000210790_100009814007 [0,0,1,0,0,0|3,0,0]=4 359 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100000211182_100009814007 [0,0,1,0,0,0|3,0,0]=4 360 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100009814007_100015291786 [0,0,1,0,0,0|3,0,0]=4 361 B14R1.422 CC(=O)OCNCCc1ccccc1 34a_100000106460_100009813279 [0,0,1,0,0,0|3,0,0]=4 362 B14R1.422 CC(=O)OCOCCc1ccccc1 34a_100000210268_100009813279 [0,0,1,0,0,0|3,0,0]=4 363 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000076356_100011218657 [0,0,1,0,0,0|3,0,0]=4 364 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000765856_100000076356 [0,0,1,0,0,0|3,0,0]=4 365 B14R1.422 CC(=S)OCCCNc1ccccc1 34a_100000106764_200135323944 [0,0,1,0,0,0|3,0,0]=4 366 B14R1.422 CC(=S)OCCCOc1ccccc1 34a_100000210340_200135323944 [0,0,1,0,0,0|3,0,0]=4 367 B14R1.422 CC(=S)OCCCOc1ccccc1 7a_100000210340_200135323944 [0,0,1,0,0,0|3,0,0]=4 368 B14R1.422 CC(=S)OCCCSc1ccccc1 62a_100000719477_200135323944 [0,0,1,0,0,0|3,0,0]=4 369 B14R1.422 CC(=S)OCCCSc1ccccc1 62a_200135323944_100000041952 [0,0,1,0,0,0|3,0,0]=4 370 B14R1.422 CC(C)OCCCCc1ccccc1 34a_100000212225_100000701786 [0,0,1,0,0,0|2,0,1]=4 371 B14R1.422 CC(C)OCCCCc1ccccc1 34a_100000703073_100000210206 [0,0,1,0,0,0|2,0,1]=4 372 B14R1.422 CC(C)OCCCCc1ccccc1 7a_100000703073_100000210206 [0,0,1,0,0,0|2,0,1]=4 373 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100000739312_100015291786 [0,0,1,0,0,0|3,0,0]=4 374 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100015324214_100102525003 [0,0,1,0,0,0|3,0,0]=4 375 B14R1.422 NC(=O)CCCOCc1ccccc1 34a_100000210790_100102525003 [0,0,1,0,0,0|3,0,0]=4 376 B14R1.422 NC(=O)CCCOCc1ccccc1 7a_100000210790_100102525003 [0,0,1,0,0,0|3,0,0]=4 377 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100000211182_100102525003 [0,0,1,0,0,0|3,0,0]=4 378 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100102525003_100015291786 [0,0,1,0,0,0|3,0,0]=4 379 B14R1.422 NC(=O)CCNCCc1ccccc1 2230a_100000106460_100000744528 [0,0,1,0,0,0|3,0,0]=4 380 B14R1.422 NC(=O)CCNCCc1ccccc1 34a_100000106460_100000731001 [0,0,1,0,0,0|3,0,0]=4 381 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000210268_100000731001 [0,0,1,0,0,0|3,0,0]=4 382 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000757172_100000765856 [0,0,1,0,0,0|3,0,0]=4 383 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000210268_100000744528 [0,0,1,0,0,0|3,0,0]=4 384 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000757172_100000765856 [0,0,1,0,0,0|3,0,0]=4 385 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000744528_100011218657 [0,0,1,0,0,0|3,0,0]=4 386 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000765856_100000744528 [0,0,1,0,0,0|3,0,0]=4 387 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747473 [0,0,1,0,0,0|3,0,0]=4 388 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000711301_100000211621 [0,0,1,0,0,0|3,0,0]=4 389 B14R1.422 NC(=O)CNCCCc1ccccc1 34a_100000211184_100000187820 [0,0,1,0,0,0|3,0,0]=4 390 B14R1.422 NC(=O)COCCCc1ccccc1 34a_100000210828_100000187820 [0,0,1,0,0,0|3,0,0]=4 391 B14R1.422 NC(=O)COCCCc1ccccc1 7a_100000210828_100000187820 [0,0,1,0,0,0|3,0,0]=4 392 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000211621_100000747473 [0,0,1,0,0,0|3,0,0]=4 393 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000747473_100000211621 [0,0,1,0,0,0|3,0,0]=4 394 B14R1.422 NC(=O)NCCNCc1ccccc1 207a_100020590234_100015611070 [0,0,1,0,0,0|3,0,0]=4 395 B14R1.422 NC(=O)NCCNCc1ccccc1 2230a_100015324214_200000034859 [0,0,1,0,0,0|3,0,0]=4 396 B14R1.422 NC(=O)NCCNCc1ccccc1 34a_100020590234_100015291786 [0,0,1,0,0,0|3,0,0]=4 397 B14R1.422 NC(=O)NCCOCc1ccccc1 34a_100000181757_100015291786 [0,0,1,0,0,0|3,0,0]=4 398 B14R1.422 NC(=O)NCCOCc1ccccc1 7a_100000210790_200000034859 [0,0,1,0,0,0|3,0,0]=4 399 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_100000211182_200000034859 [0,0,1,0,0,0|3,0,0]=4 400 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_200000034859_100015291786 [0,0,1,0,0,0|3,0,0]=4 401 B14R1.422 NC(=O)OCCNCc1ccccc1 34a_100015324214_200011214921 [0,0,1,0,0,0|2,0,0]=3 402 B14R1.422 NC(=O)OCCOCc1ccccc1 34a_100000210790_200011214921 [0,0,1,0,0,0|2,0,0]=3 403 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000210790_200011214921 [0,0,1,0,0,0|2,0,0]=3 404 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000766696_100000211182 [0,0,1,0,0,0|2,0,0]=3 405 B14R1.422 NC(=O)OCCOCc1ccccn1 7a_100000766696_100000721315 [0,0,1,0,0,0|3,0,0]=4 406 B14R1.422 NC(=O)OCCOCc1cccnc1 7a_100000766696_100000741622 [0,0,1,0,0,0|3,0,0]=4 407 B14R1.422 NC(=O)OCCOCc1ccncc1 7a_100000766696_100015193705 [0,0,1,0,0,0|3,0,0]=4 408 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_100000211182_200011214921 [0,0,1,0,0,0|2,0,0]=3 409 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_200011214921_100015291786 [0,0,1,0,0,0|2,0,0]=3 410 B14R1.422 NC(=O)OCCSCc1ccccn1 62a_100000721315_200011214921 [0,0,1,0,0,0|3,0,0]=4 411 B14R1.422 NC(=O)OCCSCc1ccccn1 62a_200011214921_100000721315 [0,0,1,0,0,0|3,0,0]=4 412 B14R1.422 NC(=O)OCCSCc1cccnc1 62a_100000741622_200011214921 [0,0,1,0,0,0|3,0,0]=4 413 B14R1.422 NC(=O)OCCSCc1cccnc1 62a_200011214921_100000741622 [0,0,1,0,0,0|3,0,0]=4 414 B14R1.422 NC(=O)OCCSCc1ccncc1 62a_100015193705_200011214921 [0,0,1,0,0,0|3,0,0]=4 415 B14R1.422 NC(=O)OCCSCc1ccncc1 62a_200011214921_100015193705 [0,0,1,0,0,0|3,0,0]=4 416 B14R1.422 [13CH3]C(=O)CCCCCc1ccccc1 1458a_100011216832_200025704644 [0,0,1,0,0,0|3,0,0]=4 417 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,0,1,0,0,0|3,0,0]=4 418 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,0,1,0,0,0|3,0,0]=4 419 B14R1.716 CCC(=O)NCCCc1ccccc1 11a_100000211184_100000210414 [0,0,1,0,0,0|2,0,1]=4 420 B14R1.716 CCC(=O)NCCCc1ccccc1 1626a_100000211184_100000210414 [0,0,1,0,0,0|2,0,1]=4 421 B14R1.716 CCC(=O)NCCCc1ccccc1 240690a_100000211184_100000210414 [0,0,1,0,0,0|2,0,1]=4 422 B14R1.716 CCC(=O)NCCCc1ccccc1 527a_100000211184_100000210414 [0,0,1,0,0,0|2,0,1]=4 423 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [0,0,1,0,0,0|3,0,0]=4 424 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [0,0,1,0,0,0|3,0,0]=4 425 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [0,0,1,0,0,0|3,0,0]=4 426 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [0,0,1,0,0,0|3,0,0]=4 427 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100000211184_106832991635 [0,0,1,0,0,0|2,0,1]=4 428 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100102657272_100000211184 [0,0,1,0,0,0|2,0,1]=4 429 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100000211184_100102657272 [0,0,1,0,0,0|2,0,1]=4 430 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100102657272_100000211184 [0,0,1,0,0,0|2,0,1]=4 431 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_100000211184_100102657272 [0,0,1,0,0,0|2,0,1]=4 432 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_106832991638_100000211184 [0,0,1,0,0,0|2,0,1]=4 433 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,0,1,0,0,0|3,0,0]=4 434 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,0,1,0,0,0|3,0,0]=4 435 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,0,1,0,0,0|3,0,0]=4 436 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [0,0,1,0,0,0|3,0,0]=4 437 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [0,0,1,0,0,0|3,0,0]=4 438 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,0,1,0,0,0|3,0,0]=4 439 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,0,1,0,0,0|3,0,0]=4 440 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,0,1,0,0,0|3,0,0]=4 441 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,0,1,0,0,0|3,0,0]=4 442 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,0,1,0,0,0|3,0,0]=4 443 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,0,1,0,0,0|3,0,0]=4 444 B14R1.716 COC(=O)CNCCc1ccccc1 2230a_100000106460_100000747449 [0,0,1,0,0,0|3,0,0]=4 445 B14R1.716 COC(=O)CNCCc1ccccc1 34a_100000106460_100000747449 [0,0,1,0,0,0|3,0,0]=4 446 B14R1.716 COC(=O)COCCc1ccccc1 34a_100000210268_100000747449 [0,0,1,0,0,0|3,0,0]=4 447 B14R1.716 COC(=O)COCCc1ccccc1 7a_100000210268_100000747449 [0,0,1,0,0,0|3,0,0]=4 448 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000747449_100011218657 [0,0,1,0,0,0|3,0,0]=4 449 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000765856_100000747449 [0,0,1,0,0,0|3,0,0]=4 450 B14R1.716 COC(=O)OCSCc1ccccc1 62a_100000211182_100000139417 [0,0,1,0,0,0|3,0,0]=4 451 B14R1.716 COC(C)SCCCc1ccccc1 62a_100000211621_100009879195 [0,0,1,0,0,0|2,0,1]=4 452 B14R1.716 COC(C)SCCCc1ccccc1 62a_100009879195_100000211621 [0,0,1,0,0,0|2,0,1]=4 453 B14R1.818 CC(=O)NC(C)CCc1ccccc1 11a_100000210798_100015343762 [0,0,1,0,0,0|1,0,2]=4 454 B14R1.818 CC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100015343762 [0,0,1,0,0,0|1,0,2]=4 455 B14R1.818 CC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100015343762 [0,0,1,0,0,0|1,0,2]=4 456 B14R1.818 CC(=O)NC(C)CCc1ccccc1 527a_100000210798_100103153847 [0,0,1,0,0,0|1,0,2]=4 457 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000207497_100000747473 [0,0,1,0,0,0|2,0,1]=4 458 B14R1.818 CN(CCc1ccccc1)CC(=O)N 2230a_100000739694_100000765856 [0,0,1,0,0,0|2,0,1]=4 459 B14R1.818 CN(CCc1ccccc1)CC(=O)N 269982a_100000207497_100000187820 [0,0,1,0,0,0|2,0,1]=4 460 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [0,0,1,0,0,0|3,0,0]=4 461 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 207a_100020615467_100015611070 [0,0,1,0,0,0|3,0,0]=4 462 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 2230a_100020615467_100015291786 [0,0,1,0,0,0|3,0,0]=4 463 B14R1.979 C=CC[C@H](CO)NCc1ccccc1 270004a_100020615467_100015611070 [0,0,1,0,0,0|3,0,0]=4 464 B16R3.2022 Cc1nc(no1)C2Cc3c2cccc3 270196a_100000742404_100000070787 [0,0,0,1,0,0|2,0,1]=4 465 B16R3.2022 Oc1nc(no1)C2Cc3c2cccc3 270196a_100000742404_100015183105 [0,0,0,1,0,0|2,0,1]=4 466 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,0,1,0|3,0,0]=4 467 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,0,1,0|3,0,0]=4 468 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,0,1,0|3,0,0]=4 469 B14R2.31 O=C1CCC1NCc2ccccc2 34a_100015324214_100009892977 [0,0,0,0,1,0|3,0,0]=4 470 B14R2.31 O=C1CCC1OCc2ccccc2 34a_100000210790_100009892977 [0,0,0,0,1,0|3,0,0]=4 471 B14R2.31 O=C1CCC1OCc2ccccc2 7a_100000210790_100009892977 [0,0,0,0,1,0|3,0,0]=4 472 B14R2.31 O=C1CCC1SCc2ccccc2 62a_100000211182_100009892977 [0,0,0,0,1,0|3,0,0]=4 473 B14R2.31 O=C1CCC1SCc2ccccc2 62a_100009892977_100015291786 [0,0,0,0,1,0|3,0,0]=4 474 B14R2.436 C=C1CC(C1)NCc2ccccc2 207a_100132301982_100015611070 [0,0,0,0,1,0|3,0,0]=4 475 B14R2.436 C=C1CC(C1)NCc2ccccc2 2230a_100132301982_100015291786 [0,0,0,0,1,0|3,0,0]=4 476 B14R2.436 C=C1CC(C1)NCc2ccccc2 270004a_100132301982_100015611070 [0,0,0,0,1,0|3,0,0]=4 477 B14R2.436 O=C1CC(C1)COc2ccccc2 7a_100000210340_100009874392 [0,0,0,0,1,0|3,0,0]=4 478 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100000719477_100009874392 [0,0,0,0,1,0|3,0,0]=4 479 B14R2.436 O=C1CC(C1)CSc2ccccc2 62a_100009874392_100000041952 [0,0,0,0,1,0|3,0,0]=4 480 B14R2.436 O=C1CC(C1)SCc2ccccc2 62a_100009894365_100015291786 [0,0,0,0,1,0|3,0,0]=4 481 B16R2.252 O=C1CN(CCO1)CCc2ccccc2 2230a_100000131268_100000765856 [0,0,0,0,0,1|3,0,0]=4 482 B16R2.2832 Cc1nc(co1)CNCc2ccccc2 207a_100015324214_100011361629 [0,0,0,0,0,1|1,0,2]=4 483 B16R2.2832 Cc1nc(co1)CNCc2ccccc2 270004a_100015324214_100011361629 [0,0,0,0,0,1|1,0,2]=4 484 B16R2.2832 Cc1nc(co1)COCc2ccccc2 34a_100012017233_100015291786 [0,0,0,0,0,1|1,0,2]=4 485 B16R2.2832 Cc1nc(no1)CCCc2ccccc2 270196a_200000738867_100000070787 [0,0,0,0,0,1|2,0,1]=4 486 B16R2.2832 Cc1nc(no1)CNCc2ccccc2 2230a_100015324214_100000231061 [0,0,0,0,0,1|2,0,1]=4 487 B16R2.2832 Cc1nc(no1)CNCc2ccccc2 34a_100015324214_100000231061 [0,0,0,0,0,1|2,0,1]=4 488 B16R2.2832 Cc1nc(no1)COCc2ccccc2 270196a_100000747618_100000070787 [0,0,0,0,0,1|2,0,1]=4 489 B16R2.2832 Cc1nc(no1)COCc2ccccc2 34a_100000210790_100000231061 [0,0,0,0,0,1|2,0,1]=4 490 B16R2.2832 Cc1nc(no1)COCc2ccccc2 7a_100000210790_100000231061 [0,0,0,0,0,1|2,0,1]=4 491 B16R2.2832 Cc1nc(no1)CSCc2ccccc2 62a_100000211182_100000231061 [0,0,0,0,0,1|2,0,1]=4 492 B16R2.2832 Cc1nc(no1)CSCc2ccccc2 62a_100000231061_100015291786 [0,0,0,0,0,1|2,0,1]=4 493 B16R2.2832 Cc1nc(no1)NCCc2ccccc2 27a_100000106460_100012003639 [0,0,0,0,0,1|2,0,1]=4 494 B16R2.2832 Cc1nc(no1)SCCc2ccccc2 62a_100000765856_100012003639 [0,0,0,0,0,1|2,0,1]=4 495 B16R2.2832 Cc1nc(no1)SCCc2ccccc2 62a_100012003639_100011218657 [0,0,0,0,0,1|2,0,1]=4 496 B16R2.2832 Nc1csc(n1)SCCc2ccccc2 62a_100000765856_200015188442 [0,0,0,0,0,1|2,0,1]=4 497 B16R2.2832 Nc1csc(n1)SCCc2ccccc2 62a_200015188442_100011218657 [0,0,0,0,0,1|2,0,1]=4 498 B16R2.2832 Nc1nc(cs1)SCCc2ccccc2 62a_100000765856_100011998049 [0,0,0,0,0,1|0,1,2]=4 499 B16R2.2832 Nc1nc(cs1)SCCc2ccccc2 62a_100011998049_100011218657 [0,0,0,0,0,1|0,1,2]=4 500 B16R2.2832 Nc1nc(n[nH]1)SCCc2ccccc2 62a_100000765856_100015184587 [0,0,0,0,0,1|2,0,1]=4 501 B16R2.2832 Nc1nc(n[nH]1)SCCc2ccccc2 62a_100015184587_100011218657 [0,0,0,0,0,1|2,0,1]=4 502 B16R2.2832 O=C1C=C(CO1)CNCc2ccccc2 34a_100015324214_100000716558 [0,0,0,0,0,1|2,0,1]=4 503 B16R2.2832 O=C1C=C(CO1)COCc2ccccc2 34a_100000210790_100000716558 [0,0,0,0,0,1|2,0,1]=4 504 B16R2.2832 O=C1C=C(CO1)CSCc2ccccc2 62a_100000211182_100000716558 [0,0,0,0,0,1|2,0,1]=4 505 B16R2.2832 O=C1C=C(CO1)CSCc2ccccc2 62a_100000716558_100015291786 [0,0,0,0,0,1|2,0,1]=4 506 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 207a_100016993742_100015611070 [0,0,0,0,0,1|3,0,0]=4 507 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 2230a_100016993742_100015291786 [0,0,0,0,0,1|3,0,0]=4 508 B16R2.2832 O=C1CC(CN1)CNCc2ccccc2 34a_100016993742_100015291786 [0,0,0,0,0,1|3,0,0]=4 509 B16R2.2832 O=C1CC(CN1)COCc2ccccc2 34a_100016041077_100015291786 [0,0,0,0,0,1|3,0,0]=4 510 B16R2.2832 O=C1CC(CN1)NCCc2ccccc2 2230a_100000697751_100000765856 [0,0,0,0,0,1|3,0,0]=4 511 B16R2.2832 O=C1CC(CN1)OCCc2ccccc2 34a_100000690082_100000765856 [0,0,0,0,0,1|3,0,0]=4 512 B16R2.2832 O=C1CCC(C1)OCCc2ccccc2 34a_100012614533_100000765856 [0,0,0,0,0,1|3,0,0]=4 513 B16R2.2832 O=C1CCC(N1)COCc2ccccc2 34a_100000737831_100015291786 [0,0,0,0,0,1|2,0,1]=4 514 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 207a_100015423886_100015611070 [0,0,0,0,0,1|2,0,1]=4 515 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 2230a_100015423886_100015291786 [0,0,0,0,0,1|2,0,1]=4 516 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 270004a_100015423886_100015611070 [0,0,0,0,0,1|2,0,1]=4 517 B16R2.2832 O=C1CC[C@@H](N1)CNCc2ccccc2 34a_100015423886_100015291786 [0,0,0,0,0,1|2,0,1]=4 518 B16R2.2832 O=C1CC[C@H](N1)CNCc2ccccc2 2230a_100015324214_100015189358 [0,0,0,0,0,1|2,0,1]=4 519 B16R2.2832 O=C1CC[C@H](N1)COCc2ccccc2 7a_100000210790_100015189358 [0,0,0,0,0,1|2,0,1]=4 520 B16R2.2832 O=C1CC[C@H](N1)CSCc2ccccc2 62a_100000211182_100015189358 [0,0,0,0,0,1|2,0,1]=4 521 B16R2.2832 O=C1CC[C@H](N1)CSCc2ccccc2 62a_100015189358_100015291786 [0,0,0,0,0,1|2,0,1]=4 522 B16R2.2832 O=C1NCC(O1)CNCc2ccccc2 2230a_100015324214_100000181169 [0,0,0,0,0,1|3,0,0]=4 523 B16R2.2832 O=C1NCC(O1)CNCc2ccccc2 34a_100015324214_100000181169 [0,0,0,0,0,1|3,0,0]=4 524 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 34a_100000210790_100000181169 [0,0,0,0,0,1|3,0,0]=4 525 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 34a_100011315639_100015291786 [0,0,0,0,0,1|3,0,0]=4 526 B16R2.2832 O=C1NCC(O1)COCc2ccccc2 7a_100000210790_100000181169 [0,0,0,0,0,1|3,0,0]=4 527 B16R2.2832 O=C1NCC(O1)CSCc2ccccc2 62a_100000181169_100015291786 [0,0,0,0,0,1|3,0,0]=4 528 B16R2.2832 O=C1NCC(O1)CSCc2ccccc2 62a_100000211182_100000181169 [0,0,0,0,0,1|3,0,0]=4 529 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 2230a_100015324214_100015307671 [0,0,0,0,0,1|1,0,1]=3 530 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 34a_100015324214_100015307671 [0,0,0,0,0,1|1,0,1]=3 531 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 34a_100000210790_100015307671 [0,0,0,0,0,1|1,0,1]=3 532 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 7a_100000210790_100015307671 [0,0,0,0,0,1|1,0,1]=3 533 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100000211182_100015307671 [0,0,0,0,0,1|1,0,1]=3 534 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100015307671_100015291786 [0,0,0,0,0,1|1,0,1]=3 535 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccn2 62a_100000721315_100015307671 [0,0,0,0,0,1|2,0,1]=4 536 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccn2 62a_100015307671_100000721315 [0,0,0,0,0,1|2,0,1]=4 537 B16R2.2832 O=C1N[C@H](CO1)CSCc2cccnc2 62a_100000741622_100015307671 [0,0,0,0,0,1|2,0,1]=4 538 B16R2.2832 O=C1N[C@H](CO1)CSCc2cccnc2 62a_100015307671_100000741622 [0,0,0,0,0,1|2,0,1]=4 539 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccncc2 62a_100015193705_100015307671 [0,0,0,0,0,1|2,0,1]=4 540 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccncc2 62a_100015307671_100015193705 [0,0,0,0,0,1|2,0,1]=4 541 B16R2.2832 O=C1OCC(O1)CNCc2ccccc2 34a_100015324214_100000073702 [0,0,0,0,0,1|2,0,0]=3 542 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 34a_100000210790_100000073702 [0,0,0,0,0,1|2,0,0]=3 543 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000073702_100015291786 [0,0,0,0,0,1|2,0,0]=3 544 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000211182_100000073702 [0,0,0,0,0,1|2,0,0]=3 545 B16R2.2832 O=C1OCC(O1)CSCc2ccccn2 62a_100000073702_100000721315 [0,0,0,0,0,1|3,0,0]=4 546 B16R2.2832 O=C1OCC(O1)CSCc2ccccn2 62a_100000721315_100000073702 [0,0,0,0,0,1|3,0,0]=4 547 B16R2.2832 O=C1OCC(O1)CSCc2cccnc2 62a_100000073702_100000741622 [0,0,0,0,0,1|3,0,0]=4 548 B16R2.2832 O=C1OCC(O1)CSCc2cccnc2 62a_100000741622_100000073702 [0,0,0,0,0,1|3,0,0]=4 549 B16R2.2832 O=C1OCC(O1)CSCc2ccncc2 62a_100000073702_100015193705 [0,0,0,0,0,1|3,0,0]=4 550 B16R2.2832 O=C1OCC(O1)CSCc2ccncc2 62a_100015193705_100000073702 [0,0,0,0,0,1|3,0,0]=4 551 B16R2.2832 O=C1OCC(O1)NCCc2ccccc2 34a_100000106460_100000032252 [0,0,0,0,0,1|2,0,0]=3 552 B16R2.2832 O=C1OCC(O1)OCCc2ccccc2 34a_100000210268_100000032252 [0,0,0,0,0,1|2,0,0]=3 553 B16R2.2832 O=C1OCC(O1)OCCc2ccccn2 34a_100000210271_100000032252 [0,0,0,0,0,1|3,0,0]=4 554 B16R2.2832 O=C1OCC(O1)OCCc2cccnc2 34a_100011217484_100000032252 [0,0,0,0,0,1|3,0,0]=4 555 B16R2.2832 O=C1OCC(O1)OCCc2ccncc2 34a_100011216225_100000032252 [0,0,0,0,0,1|3,0,0]=4 556 B16R2.2832 O=C1OCC(O1)SCCc2ccccc2 62a_100000765856_100000032252 [0,0,0,0,0,1|2,0,0]=3 557 B16R2.2832 O=C1OCC(O1)SCCc2ccccn2 62a_100015183660_100000032252 [0,0,0,0,0,1|3,0,0]=4 558 B16R2.2832 O=C1OCC(O1)SCCc2cccnc2 62a_200011713674_100000032252 [0,0,0,0,0,1|3,0,0]=4 559 B16R2.2832 O=C1OCC(O1)SCCc2ccncc2 62a_100000723409_100000032252 [0,0,0,0,0,1|3,0,0]=4 560 B16R2.2832 O=C1OCC(O1)SCSc2ccccc2 62a_100011218342_100000032252 [0,0,0,0,0,1|3,0,0]=4 561 B16R2.2832 O=S1OCC(O1)CCOc2ccccc2 7a_100000210340_100009840081 [0,0,0,0,0,1|3,0,0]=4 562 B16R2.2832 O=S1OCC(O1)CCSc2ccccc2 62a_100000719477_100009840081 [0,0,0,0,0,1|3,0,0]=4 563 B16R2.2832 Oc1nc(no1)CCCc2ccccc2 270196a_200000738867_100015183105 [0,0,0,0,0,1|2,0,1]=4 564 B16R2.2832 Oc1nc(no1)COCc2ccccc2 270196a_100000747618_100015183105 [0,0,0,0,0,1|2,0,1]=4 565 B13R1.28 C=COCCNCc1ccccc1 2230a_100015324214_100000039644 [1,0,1,0,0,0|2,0,0]=4 566 B13R1.28 C=COCCNCc1ccccc1 34a_100015324214_100000039644 [1,0,1,0,0,0|2,0,0]=4 567 B13R1.28 C=COCCOCc1ccccc1 34a_100000033082_100015291786 [1,0,1,0,0,0|2,0,0]=4 568 B13R1.28 C=COCCOCc1ccccc1 34a_100000210790_100000039644 [1,0,1,0,0,0|2,0,0]=4 569 B13R1.28 C=COCCOCc1ccccc1 7a_100000210790_100000039644 [1,0,1,0,0,0|2,0,0]=4 570 B13R1.28 C=COCCSCc1ccccc1 62a_100000039644_100015291786 [1,0,1,0,0,0|2,0,0]=4 571 B13R1.28 C=COCCSCc1ccccc1 62a_100000211182_100000039644 [1,0,1,0,0,0|2,0,0]=4 572 B13R1.28 CCC=NNCCc1ccccc1 4a_100000740470_100000210100 [1,0,1,0,0,0|2,0,0]=4 573 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [1,0,1,0,0,0|1,0,1]=4 574 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [1,0,1,0,0,0|1,0,1]=4 575 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [1,0,1,0,0,0|1,0,1]=4 576 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [1,0,1,0,0,0|1,0,1]=4 577 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [1,0,1,0,0,0|1,0,1]=4 578 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [1,0,1,0,0,0|1,0,1]=4 579 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [1,0,1,0,0,0|0,0,2]=4 580 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [1,0,1,0,0,0|1,0,1]=4 581 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [1,0,1,0,0,0|1,0,1]=4 582 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [1,0,1,0,0,0|1,0,1]=4 583 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [1,0,1,0,0,0|1,0,1]=4 584 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [1,0,1,0,0,0|1,0,1]=4 585 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [1,0,1,0,0,0|1,0,1]=4 586 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [1,0,1,0,0,0|2,0,0]=4 587 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [1,0,1,0,0,0|2,0,0]=4 588 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [1,0,1,0,0,0|1,0,1]=4 589 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [1,0,1,0,0,0|1,0,1]=4 590 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [1,0,1,0,0,0|1,0,1]=4 591 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [1,0,1,0,0,0|1,0,1]=4 592 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [1,0,1,0,0,0|2,0,0]=4 593 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 2230a_100016989147_100015291786 [1,0,1,0,0,0|2,0,0]=4 594 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 270004a_100016989147_100015611070 [1,0,1,0,0,0|2,0,0]=4 595 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 34a_100016989147_100015291786 [1,0,1,0,0,0|2,0,0]=4 596 B15R1.119 Cc1cccc(c1)CNCCOC(=O)N 34a_100000185548_200011214921 [0,1,1,0,0,0|2,0,0]=4 597 B15R1.119 Cc1cccc(c1)COCCOC(=O)N 34a_100011217746_200011214921 [0,1,1,0,0,0|2,0,0]=4 598 B15R1.119 Cc1cccc(c1)COCCOC(=O)N 7a_100000766696_100000211840 [0,1,1,0,0,0|2,0,0]=4 599 B15R1.119 Cc1cccc(c1)COCCOC(=O)N 7a_100011217746_200011214921 [0,1,1,0,0,0|2,0,0]=4 600 B15R1.119 Cc1cccc(c1)CSCCOC(=O)N 62a_100000211840_200011214921 [0,1,1,0,0,0|2,0,0]=4 601 B15R1.119 Cc1cccc(c1)CSCCOC(=O)N 62a_200011214921_100000211840 [0,1,1,0,0,0|2,0,0]=4 602 B15R1.119 NC(=O)OCCNCc1cccc(c1)Br 34a_100000174977_200011214921 [0,1,1,0,0,0|2,0,0]=4 603 B15R1.119 NC(=O)OCCNCc1cccc(c1)Cl 34a_100000174878_200011214921 [0,1,1,0,0,0|2,0,0]=4 604 B15R1.119 NC(=O)OCCNCc1cccc(c1)F 34a_100000174948_200011214921 [0,1,1,0,0,0|2,0,0]=4 605 B15R1.119 NC(=O)OCCNCc1cccc(c1)I 34a_100000106179_200011214921 [0,1,1,0,0,0|2,0,0]=4 606 B15R1.119 NC(=O)OCCNCc1cccc(c1)O 34a_100000743036_200011214921 [0,1,1,0,0,0|2,0,0]=4 607 B15R1.119 NC(=O)OCCOCc1cccc(c1)Br 34a_100000687537_200011214921 [0,1,1,0,0,0|2,0,0]=4 608 B15R1.119 NC(=O)OCCOCc1cccc(c1)Br 7a_100000687537_200011214921 [0,1,1,0,0,0|2,0,0]=4 609 B15R1.119 NC(=O)OCCOCc1cccc(c1)Br 7a_100000766696_100000211773 [0,1,1,0,0,0|2,0,0]=4 610 B15R1.119 NC(=O)OCCOCc1cccc(c1)Cl 34a_100000241301_200011214921 [0,1,1,0,0,0|2,0,0]=4 611 B15R1.119 NC(=O)OCCOCc1cccc(c1)Cl 7a_100000241301_200011214921 [0,1,1,0,0,0|2,0,0]=4 612 B15R1.119 NC(=O)OCCOCc1cccc(c1)Cl 7a_100000766696_100000187163 [0,1,1,0,0,0|2,0,0]=4 613 B15R1.119 NC(=O)OCCOCc1cccc(c1)F 34a_100000210976_200011214921 [0,1,1,0,0,0|2,0,0]=4 614 B15R1.119 NC(=O)OCCOCc1cccc(c1)F 7a_100000210976_200011214921 [0,1,1,0,0,0|2,0,0]=4 615 B15R1.119 NC(=O)OCCOCc1cccc(c1)F 7a_100000766696_100000230114 [0,1,1,0,0,0|2,0,0]=4 616 B15R1.119 NC(=O)OCCOCc1cccc(c1)I 34a_100011215336_200011214921 [0,1,1,0,0,0|2,0,0]=4 617 B15R1.119 NC(=O)OCCOCc1cccc(c1)I 7a_100000766696_100011218688 [0,1,1,0,0,0|2,0,0]=4 618 B15R1.119 NC(=O)OCCOCc1cccc(c1)I 7a_100011215336_200011214921 [0,1,1,0,0,0|2,0,0]=4 619 B15R1.119 NC(=O)OCCOCc1cccc(c1)N 34a_100000211919_200011214921 [0,1,1,0,0,0|2,0,0]=4 620 B15R1.119 NC(=O)OCCOCc1cccc(c1)O 7a_100000766696_100000084143 [0,1,1,0,0,0|2,0,0]=4 621 B15R1.119 NC(=O)OCCSCc1cccc(c1)Br 62a_100000211773_200011214921 [0,1,1,0,0,0|2,0,0]=4 622 B15R1.119 NC(=O)OCCSCc1cccc(c1)Br 62a_200011214921_100000211773 [0,1,1,0,0,0|2,0,0]=4 623 B15R1.119 NC(=O)OCCSCc1cccc(c1)Cl 62a_100000187163_200011214921 [0,1,1,0,0,0|2,0,0]=4 624 B15R1.119 NC(=O)OCCSCc1cccc(c1)Cl 62a_200011214921_100000187163 [0,1,1,0,0,0|2,0,0]=4 625 B15R1.119 NC(=O)OCCSCc1cccc(c1)F 62a_100000230114_200011214921 [0,1,1,0,0,0|2,0,0]=4 626 B15R1.119 NC(=O)OCCSCc1cccc(c1)F 62a_200011214921_100000230114 [0,1,1,0,0,0|2,0,0]=4 627 B15R1.119 NC(=O)OCCSCc1cccc(c1)I 62a_100011218688_200011214921 [0,1,1,0,0,0|2,0,0]=4 628 B15R1.119 NC(=O)OCCSCc1cccc(c1)I 62a_200011214921_100011218688 [0,1,1,0,0,0|2,0,0]=4 629 B15R1.119 NC(=O)OCCSCc1cccc(c1)O 62a_100011660834_200011214921 [0,1,1,0,0,0|2,0,0]=4 630 B15R1.119 NC(=O)OCCSCc1cccc(c1)O 62a_200011214921_100011660834 [0,1,1,0,0,0|2,0,0]=4 631 B15R1.131 Cc1ccccc1CNCCOC(=O)N 34a_100000174972_200011214921 [0,1,1,0,0,0|2,0,0]=4 632 B15R1.131 Cc1ccccc1COCCOC(=O)N 34a_100000698903_200011214921 [0,1,1,0,0,0|2,0,0]=4 633 B15R1.131 Cc1ccccc1COCCOC(=O)N 7a_100000698903_200011214921 [0,1,1,0,0,0|2,0,0]=4 634 B15R1.131 Cc1ccccc1COCCOC(=O)N 7a_100000766696_100000211839 [0,1,1,0,0,0|2,0,0]=4 635 B15R1.131 Cc1ccccc1CSCCOC(=O)N 62a_100000211839_200011214921 [0,1,1,0,0,0|2,0,0]=4 636 B15R1.131 Cc1ccccc1CSCCOC(=O)N 62a_200011214921_100000211839 [0,1,1,0,0,0|2,0,0]=4 637 B15R1.131 NC(=O)OCCNCc1ccccc1Br 34a_100000689332_200011214921 [0,1,1,0,0,0|2,0,0]=4 638 B15R1.131 NC(=O)OCCNCc1ccccc1Cl 34a_100000174879_200011214921 [0,1,1,0,0,0|2,0,0]=4 639 B15R1.131 NC(=O)OCCNCc1ccccc1F 34a_100000174869_200011214921 [0,1,1,0,0,0|2,0,0]=4 640 B15R1.131 NC(=O)OCCNCc1ccccc1O 34a_100000185550_200011214921 [0,1,1,0,0,0|2,0,0]=4 641 B15R1.131 NC(=O)OCCOCc1ccccc1Br 34a_100000756307_200011214921 [0,1,1,0,0,0|2,0,0]=4 642 B15R1.131 NC(=O)OCCOCc1ccccc1Br 7a_100000756307_200011214921 [0,1,1,0,0,0|2,0,0]=4 643 B15R1.131 NC(=O)OCCOCc1ccccc1Br 7a_100000766696_100000184730 [0,1,1,0,0,0|2,0,0]=4 644 B15R1.131 NC(=O)OCCOCc1ccccc1Cl 34a_100000210847_200011214921 [0,1,1,0,0,0|2,0,0]=4 645 B15R1.131 NC(=O)OCCOCc1ccccc1Cl 7a_100000210847_200011214921 [0,1,1,0,0,0|2,0,0]=4 646 B15R1.131 NC(=O)OCCOCc1ccccc1Cl 7a_100000766696_100000187162 [0,1,1,0,0,0|2,0,0]=4 647 B15R1.131 NC(=O)OCCOCc1ccccc1F 34a_100000211962_200011214921 [0,1,1,0,0,0|2,0,0]=4 648 B15R1.131 NC(=O)OCCOCc1ccccc1F 7a_100000211962_200011214921 [0,1,1,0,0,0|2,0,0]=4 649 B15R1.131 NC(=O)OCCOCc1ccccc1F 7a_100000766696_100000211605 [0,1,1,0,0,0|2,0,0]=4 650 B15R1.131 NC(=O)OCCOCc1ccccc1I 34a_100000187465_200011214921 [0,1,1,0,0,0|2,0,0]=4 651 B15R1.131 NC(=O)OCCOCc1ccccc1I 7a_100000187465_200011214921 [0,1,1,0,0,0|2,0,0]=4 652 B15R1.131 NC(=O)OCCOCc1ccccc1I 7a_100000766696_100011215278 [0,1,1,0,0,0|2,0,0]=4 653 B15R1.131 NC(=O)OCCOCc1ccccc1N 34a_100000212039_200011214921 [0,1,1,0,0,0|2,0,0]=4 654 B15R1.131 NC(=O)OCCSCc1ccccc1Br 62a_100000184730_200011214921 [0,1,1,0,0,0|2,0,0]=4 655 B15R1.131 NC(=O)OCCSCc1ccccc1Br 62a_200011214921_100000184730 [0,1,1,0,0,0|2,0,0]=4 656 B15R1.131 NC(=O)OCCSCc1ccccc1Cl 62a_100000187162_200011214921 [0,1,1,0,0,0|2,0,0]=4 657 B15R1.131 NC(=O)OCCSCc1ccccc1Cl 62a_200011214921_100000187162 [0,1,1,0,0,0|2,0,0]=4 658 B15R1.131 NC(=O)OCCSCc1ccccc1F 62a_100000211605_200011214921 [0,1,1,0,0,0|2,0,0]=4 659 B15R1.131 NC(=O)OCCSCc1ccccc1F 62a_200011214921_100000211605 [0,1,1,0,0,0|2,0,0]=4 660 B15R1.131 NC(=O)OCCSCc1ccccc1I 62a_100011216222_200011214921 [0,1,1,0,0,0|2,0,0]=4 661 B15R1.131 NC(=O)OCCSCc1ccccc1I 62a_200011214921_100011216222 [0,1,1,0,0,0|2,0,0]=4 662 B15R1.497 CC(OCCOC(=O)N)c1ccccc1 7a_100000766696_100000230085 [0,1,1,0,0,0|2,0,0]=4 663 B15R1.497 CC(SCCOC(=O)N)c1ccccc1 62a_100000230085_200011214921 [0,1,1,0,0,0|2,0,0]=4 664 B15R1.497 CC(SCCOC(=O)N)c1ccccc1 62a_200011214921_100000230085 [0,1,1,0,0,0|2,0,0]=4 665 B15R1.497 C[C@@H](OCCOC(=O)N)c1ccccc1 34a_100000761318_200011214921 [0,1,1,0,0,0|2,0,0]=4 666 B15R1.497 C[C@@H](OCCOC(=O)N)c1ccccc1 7a_100000761318_200011214921 [0,1,1,0,0,0|2,0,0]=4 667 B15R1.871 Cc1ccc(cc1)CNCCOC(=O)N 34a_100000174908_200011214921 [0,1,1,0,0,0|2,0,0]=4 668 B15R1.871 Cc1ccc(cc1)COCCOC(=O)N 34a_100011215236_200011214921 [0,1,1,0,0,0|2,0,0]=4 669 B15R1.871 Cc1ccc(cc1)COCCOC(=O)N 7a_100000766696_100000210814 [0,1,1,0,0,0|2,0,0]=4 670 B15R1.871 Cc1ccc(cc1)COCCOC(=O)N 7a_100011215236_200011214921 [0,1,1,0,0,0|2,0,0]=4 671 B15R1.871 Cc1ccc(cc1)CSCCOC(=O)N 62a_100000210814_200011214921 [0,1,1,0,0,0|2,0,0]=4 672 B15R1.871 Cc1ccc(cc1)CSCCOC(=O)N 62a_200011214921_100000210814 [0,1,1,0,0,0|2,0,0]=4 673 B15R1.871 NC(=O)OCCNCc1ccc(cc1)Br 34a_100000174875_200011214921 [0,1,1,0,0,0|2,0,0]=4 674 B15R1.871 NC(=O)OCCNCc1ccc(cc1)Cl 34a_100000174871_200011214921 [0,1,1,0,0,0|2,0,0]=4 675 B15R1.871 NC(=O)OCCNCc1ccc(cc1)F 34a_100000174882_200011214921 [0,1,1,0,0,0|2,0,0]=4 676 B15R1.871 NC(=O)OCCNCc1ccc(cc1)I 34a_100016989417_200011214921 [0,1,1,0,0,0|2,0,0]=4 677 B15R1.871 NC(=O)OCCNCc1ccc(cc1)O 34a_100000185549_200011214921 [0,1,1,0,0,0|2,0,0]=4 678 B15R1.871 NC(=O)OCCOCc1ccc(cc1)Br 34a_100000695286_200011214921 [0,1,1,0,0,0|2,0,0]=4 679 B15R1.871 NC(=O)OCCOCc1ccc(cc1)Br 7a_100000766696_100011217064 [0,1,1,0,0,0|2,0,0]=4 680 B15R1.871 NC(=O)OCCOCc1ccc(cc1)Cl 34a_100000211118_200011214921 [0,1,1,0,0,0|2,0,0]=4 681 B15R1.871 NC(=O)OCCOCc1ccc(cc1)Cl 7a_100000211118_200011214921 [0,1,1,0,0,0|2,0,0]=4 682 B15R1.871 NC(=O)OCCOCc1ccc(cc1)Cl 7a_100000766696_100000187161 [0,1,1,0,0,0|2,0,0]=4 683 B15R1.871 NC(=O)OCCOCc1ccc(cc1)F 34a_100000210977_200011214921 [0,1,1,0,0,0|2,0,0]=4 684 B15R1.871 NC(=O)OCCOCc1ccc(cc1)F 7a_100000210977_200011214921 [0,1,1,0,0,0|2,0,0]=4 685 B15R1.871 NC(=O)OCCOCc1ccc(cc1)F 7a_100000766696_100000198546 [0,1,1,0,0,0|2,0,0]=4 686 B15R1.871 NC(=O)OCCOCc1ccc(cc1)I 34a_100000690907_200011214921 [0,1,1,0,0,0|2,0,0]=4 687 B15R1.871 NC(=O)OCCOCc1ccc(cc1)I 7a_100000690907_200011214921 [0,1,1,0,0,0|2,0,0]=4 688 B15R1.871 NC(=O)OCCOCc1ccc(cc1)I 7a_100000766696_100000189116 [0,1,1,0,0,0|2,0,0]=4 689 B15R1.871 NC(=O)OCCOCc1ccc(cc1)N 34a_100011215238_200011214921 [0,1,1,0,0,0|2,0,0]=4 690 B15R1.871 NC(=O)OCCSCc1ccc(cc1)Br 62a_100000189115_200011214921 [0,1,1,0,0,0|2,0,0]=4 691 B15R1.871 NC(=O)OCCSCc1ccc(cc1)Br 62a_200011214921_100000189115 [0,1,1,0,0,0|2,0,0]=4 692 B15R1.871 NC(=O)OCCSCc1ccc(cc1)Cl 62a_100000187161_200011214921 [0,1,1,0,0,0|2,0,0]=4 693 B15R1.871 NC(=O)OCCSCc1ccc(cc1)Cl 62a_200011214921_100000187161 [0,1,1,0,0,0|2,0,0]=4 694 B15R1.871 NC(=O)OCCSCc1ccc(cc1)F 62a_100000198546_200011214921 [0,1,1,0,0,0|2,0,0]=4 695 B15R1.871 NC(=O)OCCSCc1ccc(cc1)F 62a_200011214921_100000187164 [0,1,1,0,0,0|2,0,0]=4 696 B15R1.871 NC(=O)OCCSCc1ccc(cc1)I 62a_100000189116_200011214921 [0,1,1,0,0,0|2,0,0]=4 697 B15R1.871 NC(=O)OCCSCc1ccc(cc1)I 62a_200011214921_100000189116 [0,1,1,0,0,0|2,0,0]=4 698 B15R1.962 CC(CN)OCCCCc1ccccc1 34a_100000210904_100000701786 [0,1,1,0,0,0|1,0,1]=4 699 B15R1.962 CNC(=O)CCCCCc1ccccc1 11a_106832991635_100011216832 [0,1,1,0,0,0|2,0,0]=4 700 B15R1.962 CNC(=O)CCCCCc1ccccc1 1626a_100102657272_100011216832 [0,1,1,0,0,0|2,0,0]=4 701 B15R1.962 CNC(=O)CCCCCc1ccccc1 240690a_100102657272_100011216832 [0,1,1,0,0,0|2,0,0]=4 702 B15R1.962 CNC(=O)CCCCCc1ccccc1 527a_100102657272_100011216832 [0,1,1,0,0,0|2,0,0]=4 703 B15R1.962 CNC(=O)NCCCCc1ccccc1 2708a_100015280158_106832991635 [0,1,1,0,0,0|2,0,0]=4 704 B15R1.962 CNC(=O)NCCCCc1ccccc1 2708a_100102657272_100015280158 [0,1,1,0,0,0|2,0,0]=4 705 B15R1.962 CNC(=O)NCCCCc1ccccc1 273464a_100015280158_100102657272 [0,1,1,0,0,0|2,0,0]=4 706 B15R1.962 CNC(=O)NCCCCc1ccccc1 273464a_100102657272_100015280158 [0,1,1,0,0,0|2,0,0]=4 707 B15R1.962 CNC(=O)NCCCCc1ccccc1 512a_100015280158_100102657272 [0,1,1,0,0,0|2,0,0]=4 708 B15R1.962 CNC(=O)NCCCCc1ccccc1 512a_106832991638_100015280158 [0,1,1,0,0,0|2,0,0]=4 709 B15R1.962 CNC(=O)OCCNCc1ccccc1 34a_100015324214_200011997002 [0,1,1,0,0,0|2,0,0]=4 710 B15R1.962 CNC(=O)OCCOCc1ccccc1 34a_100000210790_200011997002 [0,1,1,0,0,0|2,0,0]=4 711 B15R1.962 CNC(=O)OCCOCc1ccccc1 7a_100000210790_200011997002 [0,1,1,0,0,0|2,0,0]=4 712 B15R1.962 CNC(=O)OCCSCc1ccccc1 62a_100000211182_200011997002 [0,1,1,0,0,0|2,0,0]=4 713 B15R1.962 CNC(=O)OCCSCc1ccccc1 62a_200011997002_100015291786 [0,1,1,0,0,0|2,0,0]=4 714 B15R1.962 NC(=NO)CCOCCc1ccccc1 34a_100000749954_100000765856 [0,1,1,0,0,0|2,0,0]=4 715 B15R1.1081 CN(CCOC(=O)N)Cc1ccccc1 269982a_100000186898_200011214921 [0,1,1,0,0,0|2,0,0]=4 716 B15R1.778 COCC(=NNCCc1ccccc1)C 4a_100000740470_100000749346 [0,1,1,0,0,0|2,0,0]=4 717 B15R1.778 COCC(=O)CCCCc1ccccc1 1458a_100000210968_100000701786 [0,1,1,0,0,0|2,0,0]=4 718 B15R1.778 COCC(=O)NCCCc1ccccc1 11a_100000211184_100000210968 [0,1,1,0,0,0|1,0,1]=4 719 B15R1.778 COCC(=O)NCCCc1ccccc1 1626a_100000211184_100000210968 [0,1,1,0,0,0|1,0,1]=4 720 B15R1.778 COCC(=O)NCCCc1ccccc1 240690a_100000211184_100000210968 [0,1,1,0,0,0|1,0,1]=4 721 B15R1.778 COCC(=O)NCCCc1ccccc1 34a_100138415774_100000182878 [0,1,1,0,0,0|1,0,1]=4 722 B15R1.778 COCC(=O)NCCCc1ccccc1 527a_100000211184_100000210968 [0,1,1,0,0,0|1,0,1]=4 723 B17R2.212 Cc1ccc(cc1)CCNC2COC(=O)O2 34a_100000705350_100000032252 [0,1,0,0,0,1|2,0,0]=4 724 B17R2.212 Cc1ccc(cc1)CCOC2COC(=O)O2 34a_100000756670_100000032252 [0,1,0,0,0,1|2,0,0]=4 725 B17R2.212 Cc1ccc(cc1)CCSC2COC(=O)O2 62a_100011713686_100000032252 [0,1,0,0,0,1|2,0,0]=4 726 B17R2.212 Cc1ccc(cc1)CNCC2COC(=O)O2 34a_100000174908_100000073702 [0,1,0,0,0,1|2,0,0]=4 727 B17R2.212 Cc1ccc(cc1)CNC[C@H]2COC(=O)N2 2230a_100000174908_100015307671 [0,1,0,0,0,1|1,0,1]=4 728 B17R2.212 Cc1ccc(cc1)CNC[C@H]2COC(=O)N2 34a_100000174908_100015307671 [0,1,0,0,0,1|1,0,1]=4 729 B17R2.212 Cc1ccc(cc1)COCC2COC(=O)O2 34a_100011215236_100000073702 [0,1,0,0,0,1|2,0,0]=4 730 B17R2.212 Cc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100011215236_100015307671 [0,1,0,0,0,1|1,0,1]=4 731 B17R2.212 Cc1ccc(cc1)COC[C@H]2COC(=O)N2 7a_100011215236_100015307671 [0,1,0,0,0,1|1,0,1]=4 732 B17R2.212 Cc1ccc(cc1)CSCC2COC(=O)O2 62a_100000073702_100000210814 [0,1,0,0,0,1|2,0,0]=4 733 B17R2.212 Cc1ccc(cc1)CSCC2COC(=O)O2 62a_100000210814_100000073702 [0,1,0,0,0,1|2,0,0]=4 734 B17R2.212 Cc1ccc(cc1)CSC[C@H]2COC(=O)N2 62a_100000210814_100015307671 [0,1,0,0,0,1|1,0,1]=4 735 B17R2.212 Cc1ccc(cc1)CSC[C@H]2COC(=O)N2 62a_100015307671_100000210814 [0,1,0,0,0,1|1,0,1]=4 736 B17R2.212 Nc1ccc(cc1)CCOC2COC(=O)O2 34a_100011204434_100000032252 [0,1,0,0,0,1|2,0,0]=4 737 B17R2.212 Nc1ccc(cc1)COCC2COC(=O)O2 34a_100011215238_100000073702 [0,1,0,0,0,1|2,0,0]=4 738 B17R2.212 Nc1ccc(cc1)COC[C@H]2COC(=O)N2 34a_100011215238_100015307671 [0,1,0,0,0,1|1,0,1]=4 739 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Br 2230a_100000174875_100015307671 [0,1,0,0,0,1|1,0,1]=4 740 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Br 34a_100000174875_100015307671 [0,1,0,0,0,1|1,0,1]=4 741 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Cl 2230a_100000174871_100015307671 [0,1,0,0,0,1|1,0,1]=4 742 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)Cl 34a_100000174871_100015307671 [0,1,0,0,0,1|1,0,1]=4 743 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)F 2230a_100000174882_100015307671 [0,1,0,0,0,1|1,0,1]=4 744 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)F 34a_100000174882_100015307671 [0,1,0,0,0,1|1,0,1]=4 745 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)I 2230a_100016989417_100015307671 [0,1,0,0,0,1|1,0,1]=4 746 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)I 34a_100016989417_100015307671 [0,1,0,0,0,1|1,0,1]=4 747 B17R2.212 O=C1N[C@H](CO1)CNCc2ccc(cc2)O 34a_100000185549_100015307671 [0,1,0,0,0,1|1,0,1]=4 748 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Br 34a_100000695286_100015307671 [0,1,0,0,0,1|1,0,1]=4 749 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Cl 34a_100000211118_100015307671 [0,1,0,0,0,1|1,0,1]=4 750 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)Cl 7a_100000211118_100015307671 [0,1,0,0,0,1|1,0,1]=4 751 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)F 34a_100000210977_100015307671 [0,1,0,0,0,1|1,0,1]=4 752 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)F 7a_100000210977_100015307671 [0,1,0,0,0,1|1,0,1]=4 753 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)I 34a_100000690907_100015307671 [0,1,0,0,0,1|1,0,1]=4 754 B17R2.212 O=C1N[C@H](CO1)COCc2ccc(cc2)I 7a_100000690907_100015307671 [0,1,0,0,0,1|1,0,1]=4 755 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Br 62a_100000189115_100015307671 [0,1,0,0,0,1|1,0,1]=4 756 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Br 62a_100015307671_100000189115 [0,1,0,0,0,1|1,0,1]=4 757 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Cl 62a_100000187161_100015307671 [0,1,0,0,0,1|1,0,1]=4 758 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)Cl 62a_100015307671_100000187161 [0,1,0,0,0,1|1,0,1]=4 759 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)F 62a_100000198546_100015307671 [0,1,0,0,0,1|1,0,1]=4 760 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)F 62a_100015307671_100000187164 [0,1,0,0,0,1|1,0,1]=4 761 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)I 62a_100000189116_100015307671 [0,1,0,0,0,1|1,0,1]=4 762 B17R2.212 O=C1N[C@H](CO1)CSCc2ccc(cc2)I 62a_100015307671_100000189116 [0,1,0,0,0,1|1,0,1]=4 763 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)Br 34a_100000174875_100000073702 [0,1,0,0,0,1|2,0,0]=4 764 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)Cl 34a_100000174871_100000073702 [0,1,0,0,0,1|2,0,0]=4 765 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)F 34a_100000174882_100000073702 [0,1,0,0,0,1|2,0,0]=4 766 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)I 34a_100016989417_100000073702 [0,1,0,0,0,1|2,0,0]=4 767 B17R2.212 O=C1OCC(O1)CNCc2ccc(cc2)O 34a_100000185549_100000073702 [0,1,0,0,0,1|2,0,0]=4 768 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)Br 34a_100000695286_100000073702 [0,1,0,0,0,1|2,0,0]=4 769 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)Cl 34a_100000211118_100000073702 [0,1,0,0,0,1|2,0,0]=4 770 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)F 34a_100000210977_100000073702 [0,1,0,0,0,1|2,0,0]=4 771 B17R2.212 O=C1OCC(O1)COCc2ccc(cc2)I 34a_100000690907_100000073702 [0,1,0,0,0,1|2,0,0]=4 772 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Br 62a_100000073702_100000189115 [0,1,0,0,0,1|2,0,0]=4 773 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Br 62a_100000189115_100000073702 [0,1,0,0,0,1|2,0,0]=4 774 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Cl 62a_100000073702_100000187161 [0,1,0,0,0,1|2,0,0]=4 775 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)Cl 62a_100000187161_100000073702 [0,1,0,0,0,1|2,0,0]=4 776 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)F 62a_100000073702_100000187164 [0,1,0,0,0,1|2,0,0]=4 777 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)F 62a_100000198546_100000073702 [0,1,0,0,0,1|2,0,0]=4 778 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)I 62a_100000073702_100000189116 [0,1,0,0,0,1|2,0,0]=4 779 B17R2.212 O=C1OCC(O1)CSCc2ccc(cc2)I 62a_100000189116_100000073702 [0,1,0,0,0,1|2,0,0]=4 780 B17R2.212 O=C1OCC(O1)NCCc2ccc(cc2)Br 34a_100000755846_100000032252 [0,1,0,0,0,1|2,0,0]=4 781 B17R2.212 O=C1OCC(O1)NCCc2ccc(cc2)Cl 34a_100000185265_100000032252 [0,1,0,0,0,1|2,0,0]=4 782 B17R2.212 O=C1OCC(O1)NCCc2ccc(cc2)F 34a_100000199005_100000032252 [0,1,0,0,0,1|2,0,0]=4 783 B17R2.212 O=C1OCC(O1)NCCc2ccc(cc2)O 34a_100000743037_100000032252 [0,1,0,0,0,1|2,0,0]=4 784 B17R2.212 O=C1OCC(O1)OCCc2ccc(cc2)Br 34a_100000766406_100000032252 [0,1,0,0,0,1|2,0,0]=4 785 B17R2.212 O=C1OCC(O1)OCCc2ccc(cc2)Cl 34a_100011219627_100000032252 [0,1,0,0,0,1|2,0,0]=4 786 B17R2.212 O=C1OCC(O1)OCCc2ccc(cc2)F 34a_100000754732_100000032252 [0,1,0,0,0,1|2,0,0]=4 787 B17R2.212 O=C1OCC(O1)OCCc2ccc(cc2)I 34a_100012291149_100000032252 [0,1,0,0,0,1|2,0,0]=4 788 B17R2.212 O=C1OCC(O1)SCCc2ccc(cc2)Br 62a_100011740612_100000032252 [0,1,0,0,0,1|2,0,0]=4 789 B17R2.212 O=C1OCC(O1)SCCc2ccc(cc2)Cl 62a_100011713675_100000032252 [0,1,0,0,0,1|2,0,0]=4 790 B17R2.212 O=C1OCC(O1)SCCc2ccc(cc2)F 62a_100011217392_100000032252 [0,1,0,0,0,1|2,0,0]=4 791 B17R2.212 O=C1OCC(O1)SCCc2ccc(cc2)O 62a_100009816426_100000032252 [0,1,0,0,0,1|2,0,0]=4 792 B17R2.3229 CC(Cc1ccccc1)OC2COC(=O)O2 34a_100000748627_100000032252 [0,1,0,0,0,1|2,0,0]=4 793 B17R2.3229 CC(Cc1ccccc1)SC2COC(=O)O2 62a_200011218536_100000032252 [0,1,0,0,0,1|2,0,0]=4 794 B17R2.3229 CN(Cc1ccccc1)CC2COC(=O)O2 269982a_100000186898_100000073702 [0,1,0,0,0,1|2,0,0]=4 795 B17R2.3229 CN(Cc1ccccc1)C[C@H]2COC(=O)N2 2230a_100000186898_100015307671 [0,1,0,0,0,1|1,0,1]=4 796 B17R2.3229 CN(Cc1ccccc1)C[C@H]2COC(=O)N2 269982a_100000186898_100015307671 [0,1,0,0,0,1|1,0,1]=4 797 B17R2.3231 NC1=NC(CS1)C(=O)CCc2ccccc2 1458a_100000002200_100000765856 [0,1,0,0,0,1|0,1,0]=3 798 B17R2.3231 NC1=NC(CS1)C(=O)CCc2ccccn2 1458a_100000002200_100015183660 [0,1,0,0,0,1|1,1,0]=4 799 B17R2.3231 NC1=NC(CS1)C(=O)CCc2cccnc2 1458a_100000002200_200011713674 [0,1,0,0,0,1|1,1,0]=4 800 B17R2.3231 NC1=NC(CS1)C(=O)CCc2ccncc2 1458a_100000002200_100000723409 [0,1,0,0,0,1|1,1,0]=4 801 B17R2.3231 NC1=NC(CS1)C(=O)NCc2ccccc2 240690a_100015324214_100000002200 [0,1,0,0,0,1|0,1,1]=4 802 B17R2.3241 CC(CNC1COC(=O)O1)c2ccccc2 34a_100000701038_100000032252 [0,1,0,0,0,1|2,0,0]=4 803 B17R2.3241 CC(COC1COC(=O)O1)c2ccccc2 34a_100011215166_100000032252 [0,1,0,0,0,1|2,0,0]=4 804 B17R2.3241 CC(CSC1COC(=O)O1)c2ccccc2 62a_100000756946_100000032252 [0,1,0,0,0,1|2,0,0]=4 805 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000073702_100000230085 [0,1,0,0,0,1|2,0,0]=4 806 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000230085_100000073702 [0,1,0,0,0,1|2,0,0]=4 807 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100000230085_100015307671 [0,1,0,0,0,1|1,0,1]=4 808 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100015307671_100000230085 [0,1,0,0,0,1|1,0,1]=4 809 B17R2.3241 C[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000751104_100015307671 [0,1,0,0,0,1|1,0,1]=4 810 B17R2.3241 C[C@@H](OCC1COC(=O)O1)c2ccccc2 34a_100000761318_100000073702 [0,1,0,0,0,1|2,0,0]=4 811 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000761318_100015307671 [0,1,0,0,0,1|1,0,1]=4 812 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000761318_100015307671 [0,1,0,0,0,1|1,0,1]=4 813 B17R2.3241 N[C@H](COC1COC(=O)O1)c2ccccc2 34a_100000751927_100000032252 [0,1,0,0,0,1|2,0,0]=4 814 B17R2.3241 O=C1OCC(O1)SCC(O)c2ccccc2 62a_100000185958_100000032252 [0,1,0,0,0,1|2,0,0]=4 815 B17R2.3241 O=C1OCC(O1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000032252 [0,1,0,0,0,1|2,0,0]=4 816 B17R2.5296 Cc1cccc(c1)CCNC2COC(=O)O2 34a_100000749837_100000032252 [0,1,0,0,0,1|2,0,0]=4 817 B17R2.5296 Cc1cccc(c1)CCOC2COC(=O)O2 34a_100011217157_100000032252 [0,1,0,0,0,1|2,0,0]=4 818 B17R2.5296 Cc1cccc(c1)CCSC2COC(=O)O2 62a_100011713685_100000032252 [0,1,0,0,0,1|2,0,0]=4 819 B17R2.5296 Cc1cccc(c1)CNCC2COC(=O)O2 34a_100000185548_100000073702 [0,1,0,0,0,1|2,0,0]=4 820 B17R2.5296 Cc1cccc(c1)CNC[C@H]2COC(=O)N2 2230a_100000185548_100015307671 [0,1,0,0,0,1|1,0,1]=4 821 B17R2.5296 Cc1cccc(c1)CNC[C@H]2COC(=O)N2 34a_100000185548_100015307671 [0,1,0,0,0,1|1,0,1]=4 822 B17R2.5296 Cc1cccc(c1)COCC2COC(=O)O2 34a_100011217746_100000073702 [0,1,0,0,0,1|2,0,0]=4 823 B17R2.5296 Cc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100011217746_100015307671 [0,1,0,0,0,1|1,0,1]=4 824 B17R2.5296 Cc1cccc(c1)COC[C@H]2COC(=O)N2 7a_100011217746_100015307671 [0,1,0,0,0,1|1,0,1]=4 825 B17R2.5296 Cc1cccc(c1)CSCC2COC(=O)O2 62a_100000073702_100000211840 [0,1,0,0,0,1|2,0,0]=4 826 B17R2.5296 Cc1cccc(c1)CSCC2COC(=O)O2 62a_100000211840_100000073702 [0,1,0,0,0,1|2,0,0]=4 827 B17R2.5296 Cc1cccc(c1)CSC[C@H]2COC(=O)N2 62a_100000211840_100015307671 [0,1,0,0,0,1|1,0,1]=4 828 B17R2.5296 Cc1cccc(c1)CSC[C@H]2COC(=O)N2 62a_100015307671_100000211840 [0,1,0,0,0,1|1,0,1]=4 829 B17R2.5296 Nc1cccc(c1)CCOC2COC(=O)O2 34a_100011996697_100000032252 [0,1,0,0,0,1|2,0,0]=4 830 B17R2.5296 Nc1cccc(c1)COCC2COC(=O)O2 34a_100000211919_100000073702 [0,1,0,0,0,1|2,0,0]=4 831 B17R2.5296 Nc1cccc(c1)COC[C@H]2COC(=O)N2 34a_100000211919_100015307671 [0,1,0,0,0,1|1,0,1]=4 832 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Br 2230a_100000174977_100015307671 [0,1,0,0,0,1|1,0,1]=4 833 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Br 34a_100000174977_100015307671 [0,1,0,0,0,1|1,0,1]=4 834 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Cl 2230a_100000174878_100015307671 [0,1,0,0,0,1|1,0,1]=4 835 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)Cl 34a_100000174878_100015307671 [0,1,0,0,0,1|1,0,1]=4 836 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)F 2230a_100000174948_100015307671 [0,1,0,0,0,1|1,0,1]=4 837 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)F 34a_100000174948_100015307671 [0,1,0,0,0,1|1,0,1]=4 838 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)I 2230a_100000106179_100015307671 [0,1,0,0,0,1|1,0,1]=4 839 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)I 34a_100000106179_100015307671 [0,1,0,0,0,1|1,0,1]=4 840 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)O 2230a_100000743036_100015307671 [0,1,0,0,0,1|1,0,1]=4 841 B17R2.5296 O=C1N[C@H](CO1)CNCc2cccc(c2)O 34a_100000743036_100015307671 [0,1,0,0,0,1|1,0,1]=4 842 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Br 34a_100000687537_100015307671 [0,1,0,0,0,1|1,0,1]=4 843 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Br 7a_100000687537_100015307671 [0,1,0,0,0,1|1,0,1]=4 844 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Cl 34a_100000241301_100015307671 [0,1,0,0,0,1|1,0,1]=4 845 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)Cl 7a_100000241301_100015307671 [0,1,0,0,0,1|1,0,1]=4 846 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)F 34a_100000210976_100015307671 [0,1,0,0,0,1|1,0,1]=4 847 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)F 7a_100000210976_100015307671 [0,1,0,0,0,1|1,0,1]=4 848 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)I 34a_100011215336_100015307671 [0,1,0,0,0,1|1,0,1]=4 849 B17R2.5296 O=C1N[C@H](CO1)COCc2cccc(c2)I 7a_100011215336_100015307671 [0,1,0,0,0,1|1,0,1]=4 850 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Br 62a_100000211773_100015307671 [0,1,0,0,0,1|1,0,1]=4 851 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Br 62a_100015307671_100000211773 [0,1,0,0,0,1|1,0,1]=4 852 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Cl 62a_100000187163_100015307671 [0,1,0,0,0,1|1,0,1]=4 853 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)Cl 62a_100015307671_100000187163 [0,1,0,0,0,1|1,0,1]=4 854 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)F 62a_100000230114_100015307671 [0,1,0,0,0,1|1,0,1]=4 855 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)F 62a_100015307671_100000230114 [0,1,0,0,0,1|1,0,1]=4 856 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)I 62a_100011218688_100015307671 [0,1,0,0,0,1|1,0,1]=4 857 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)I 62a_100015307671_100011218688 [0,1,0,0,0,1|1,0,1]=4 858 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)O 62a_100011660834_100015307671 [0,1,0,0,0,1|1,0,1]=4 859 B17R2.5296 O=C1N[C@H](CO1)CSCc2cccc(c2)O 62a_100015307671_100011660834 [0,1,0,0,0,1|1,0,1]=4 860 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)Br 34a_100000174977_100000073702 [0,1,0,0,0,1|2,0,0]=4 861 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)Cl 34a_100000174878_100000073702 [0,1,0,0,0,1|2,0,0]=4 862 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)F 34a_100000174948_100000073702 [0,1,0,0,0,1|2,0,0]=4 863 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)I 34a_100000106179_100000073702 [0,1,0,0,0,1|2,0,0]=4 864 B17R2.5296 O=C1OCC(O1)CNCc2cccc(c2)O 34a_100000743036_100000073702 [0,1,0,0,0,1|2,0,0]=4 865 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)Br 34a_100000687537_100000073702 [0,1,0,0,0,1|2,0,0]=4 866 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)Cl 34a_100000241301_100000073702 [0,1,0,0,0,1|2,0,0]=4 867 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)F 34a_100000210976_100000073702 [0,1,0,0,0,1|2,0,0]=4 868 B17R2.5296 O=C1OCC(O1)COCc2cccc(c2)I 34a_100011215336_100000073702 [0,1,0,0,0,1|2,0,0]=4 869 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Br 62a_100000073702_100000211773 [0,1,0,0,0,1|2,0,0]=4 870 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Br 62a_100000211773_100000073702 [0,1,0,0,0,1|2,0,0]=4 871 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Cl 62a_100000073702_100000187163 [0,1,0,0,0,1|2,0,0]=4 872 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)Cl 62a_100000187163_100000073702 [0,1,0,0,0,1|2,0,0]=4 873 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)F 62a_100000073702_100000230114 [0,1,0,0,0,1|2,0,0]=4 874 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)F 62a_100000230114_100000073702 [0,1,0,0,0,1|2,0,0]=4 875 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)I 62a_100000073702_100011218688 [0,1,0,0,0,1|2,0,0]=4 876 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)I 62a_100011218688_100000073702 [0,1,0,0,0,1|2,0,0]=4 877 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)O 62a_100000073702_100011660834 [0,1,0,0,0,1|2,0,0]=4 878 B17R2.5296 O=C1OCC(O1)CSCc2cccc(c2)O 62a_100011660834_100000073702 [0,1,0,0,0,1|2,0,0]=4 879 B17R2.5296 O=C1OCC(O1)NCCc2cccc(c2)Br 34a_100011207229_100000032252 [0,1,0,0,0,1|2,0,0]=4 880 B17R2.5296 O=C1OCC(O1)NCCc2cccc(c2)Cl 34a_100000185263_100000032252 [0,1,0,0,0,1|2,0,0]=4 881 B17R2.5296 O=C1OCC(O1)NCCc2cccc(c2)F 34a_100000205154_100000032252 [0,1,0,0,0,1|2,0,0]=4 882 B17R2.5296 O=C1OCC(O1)NCCc2cccc(c2)O 34a_100000747277_100000032252 [0,1,0,0,0,1|2,0,0]=4 883 B17R2.5296 O=C1OCC(O1)OCCc2cccc(c2)Br 34a_100011217444_100000032252 [0,1,0,0,0,1|2,0,0]=4 884 B17R2.5296 O=C1OCC(O1)OCCc2cccc(c2)Cl 34a_100000754733_100000032252 [0,1,0,0,0,1|2,0,0]=4 885 B17R2.5296 O=C1OCC(O1)OCCc2cccc(c2)F 34a_100000763591_100000032252 [0,1,0,0,0,1|2,0,0]=4 886 B17R2.5296 O=C1OCC(O1)SCCc2cccc(c2)Br 62a_100011740638_100000032252 [0,1,0,0,0,1|2,0,0]=4 887 B17R2.5296 O=C1OCC(O1)SCCc2cccc(c2)Cl 62a_100011713710_100000032252 [0,1,0,0,0,1|2,0,0]=4 888 B17R2.5296 O=C1OCC(O1)SCCc2cccc(c2)F 62a_100011217235_100000032252 [0,1,0,0,0,1|2,0,0]=4 889 B17R2.18638 Cc1ccccc1CCNC2COC(=O)O2 34a_100000685071_100000032252 [0,1,0,0,0,1|2,0,0]=4 890 B17R2.18638 Cc1ccccc1CCOC2COC(=O)O2 34a_100011220023_100000032252 [0,1,0,0,0,1|2,0,0]=4 891 B17R2.18638 Cc1ccccc1CCSC2COC(=O)O2 62a_100011713688_100000032252 [0,1,0,0,0,1|2,0,0]=4 892 B17R2.18638 Cc1ccccc1CNCC2COC(=O)O2 34a_100000174972_100000073702 [0,1,0,0,0,1|2,0,0]=4 893 B17R2.18638 Cc1ccccc1CNC[C@H]2COC(=O)N2 34a_100000174972_100015307671 [0,1,0,0,0,1|1,0,1]=4 894 B17R2.18638 Cc1ccccc1COCC2COC(=O)O2 34a_100000698903_100000073702 [0,1,0,0,0,1|2,0,0]=4 895 B17R2.18638 Cc1ccccc1COC[C@H]2COC(=O)N2 34a_100000698903_100015307671 [0,1,0,0,0,1|1,0,1]=4 896 B17R2.18638 Cc1ccccc1COC[C@H]2COC(=O)N2 7a_100000698903_100015307671 [0,1,0,0,0,1|1,0,1]=4 897 B17R2.18638 Cc1ccccc1CSCC2COC(=O)O2 62a_100000073702_100000211839 [0,1,0,0,0,1|2,0,0]=4 898 B17R2.18638 Cc1ccccc1CSCC2COC(=O)O2 62a_100000211839_100000073702 [0,1,0,0,0,1|2,0,0]=4 899 B17R2.18638 Cc1ccccc1CSC[C@H]2COC(=O)N2 62a_100000211839_100015307671 [0,1,0,0,0,1|1,0,1]=4 900 B17R2.18638 Cc1ccccc1CSC[C@H]2COC(=O)N2 62a_100015307671_100000211839 [0,1,0,0,0,1|1,0,1]=4 901 B17R2.18638 Nc1ccccc1CCOC2COC(=O)O2 34a_100011215289_100000032252 [0,1,0,0,0,1|2,0,0]=4 902 B17R2.18638 Nc1ccccc1COCC2COC(=O)O2 34a_100000212039_100000073702 [0,1,0,0,0,1|2,0,0]=4 903 B17R2.18638 Nc1ccccc1COC[C@H]2COC(=O)N2 34a_100000212039_100015307671 [0,1,0,0,0,1|1,0,1]=4 904 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Br 2230a_100000689332_100015307671 [0,1,0,0,0,1|1,0,1]=4 905 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Br 34a_100000689332_100015307671 [0,1,0,0,0,1|1,0,1]=4 906 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Cl 2230a_100000174879_100015307671 [0,1,0,0,0,1|1,0,1]=4 907 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2Cl 34a_100000174879_100015307671 [0,1,0,0,0,1|1,0,1]=4 908 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2F 34a_100000174869_100015307671 [0,1,0,0,0,1|1,0,1]=4 909 B17R2.18638 O=C1N[C@H](CO1)CNCc2ccccc2O 34a_100000185550_100015307671 [0,1,0,0,0,1|1,0,1]=4 910 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Br 34a_100000756307_100015307671 [0,1,0,0,0,1|1,0,1]=4 911 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Br 7a_100000756307_100015307671 [0,1,0,0,0,1|1,0,1]=4 912 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Cl 34a_100000210847_100015307671 [0,1,0,0,0,1|1,0,1]=4 913 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2Cl 7a_100000210847_100015307671 [0,1,0,0,0,1|1,0,1]=4 914 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2F 34a_100000211962_100015307671 [0,1,0,0,0,1|1,0,1]=4 915 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2F 7a_100000211962_100015307671 [0,1,0,0,0,1|1,0,1]=4 916 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2I 34a_100000187465_100015307671 [0,1,0,0,0,1|1,0,1]=4 917 B17R2.18638 O=C1N[C@H](CO1)COCc2ccccc2I 7a_100000187465_100015307671 [0,1,0,0,0,1|1,0,1]=4 918 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Br 62a_100000184730_100015307671 [0,1,0,0,0,1|1,0,1]=4 919 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Br 62a_100015307671_100000184730 [0,1,0,0,0,1|1,0,1]=4 920 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Cl 62a_100000187162_100015307671 [0,1,0,0,0,1|1,0,1]=4 921 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2Cl 62a_100015307671_100000187162 [0,1,0,0,0,1|1,0,1]=4 922 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2F 62a_100000211605_100015307671 [0,1,0,0,0,1|1,0,1]=4 923 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2F 62a_100015307671_100000211605 [0,1,0,0,0,1|1,0,1]=4 924 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2I 62a_100011216222_100015307671 [0,1,0,0,0,1|1,0,1]=4 925 B17R2.18638 O=C1N[C@H](CO1)CSCc2ccccc2I 62a_100015307671_100011216222 [0,1,0,0,0,1|1,0,1]=4 926 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2Br 34a_100000689332_100000073702 [0,1,0,0,0,1|2,0,0]=4 927 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2Cl 34a_100000174879_100000073702 [0,1,0,0,0,1|2,0,0]=4 928 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2F 34a_100000174869_100000073702 [0,1,0,0,0,1|2,0,0]=4 929 B17R2.18638 O=C1OCC(O1)CNCc2ccccc2O 34a_100000185550_100000073702 [0,1,0,0,0,1|2,0,0]=4 930 B17R2.18638 O=C1OCC(O1)COCc2ccccc2Br 34a_100000756307_100000073702 [0,1,0,0,0,1|2,0,0]=4 931 B17R2.18638 O=C1OCC(O1)COCc2ccccc2Cl 34a_100000210847_100000073702 [0,1,0,0,0,1|2,0,0]=4 932 B17R2.18638 O=C1OCC(O1)COCc2ccccc2F 34a_100000211962_100000073702 [0,1,0,0,0,1|2,0,0]=4 933 B17R2.18638 O=C1OCC(O1)COCc2ccccc2I 34a_100000187465_100000073702 [0,1,0,0,0,1|2,0,0]=4 934 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Br 62a_100000073702_100000184730 [0,1,0,0,0,1|2,0,0]=4 935 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Br 62a_100000184730_100000073702 [0,1,0,0,0,1|2,0,0]=4 936 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Cl 62a_100000073702_100000187162 [0,1,0,0,0,1|2,0,0]=4 937 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2Cl 62a_100000187162_100000073702 [0,1,0,0,0,1|2,0,0]=4 938 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2F 62a_100000073702_100000211605 [0,1,0,0,0,1|2,0,0]=4 939 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2F 62a_100000211605_100000073702 [0,1,0,0,0,1|2,0,0]=4 940 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2I 62a_100000073702_100011216222 [0,1,0,0,0,1|2,0,0]=4 941 B17R2.18638 O=C1OCC(O1)CSCc2ccccc2I 62a_100011216222_100000073702 [0,1,0,0,0,1|2,0,0]=4 942 B17R2.18638 O=C1OCC(O1)NCCc2ccccc2Br 34a_100000747383_100000032252 [0,1,0,0,0,1|2,0,0]=4 943 B17R2.18638 O=C1OCC(O1)NCCc2ccccc2Cl 34a_100011207228_100000032252 [0,1,0,0,0,1|2,0,0]=4 944 B17R2.18638 O=C1OCC(O1)NCCc2ccccc2F 34a_100000185272_100000032252 [0,1,0,0,0,1|2,0,0]=4 945 B17R2.18638 O=C1OCC(O1)NCCc2ccccc2O 34a_100011207237_100000032252 [0,1,0,0,0,1|2,0,0]=4 946 B17R2.18638 O=C1OCC(O1)OCCc2ccccc2Br 34a_100000731337_100000032252 [0,1,0,0,0,1|2,0,0]=4 947 B17R2.18638 O=C1OCC(O1)OCCc2ccccc2Cl 34a_100011215284_100000032252 [0,1,0,0,0,1|2,0,0]=4 948 B17R2.18638 O=C1OCC(O1)OCCc2ccccc2F 34a_100000753711_100000032252 [0,1,0,0,0,1|2,0,0]=4 949 B17R2.18638 O=C1OCC(O1)OCCc2ccccc2I 34a_100010255290_100000032252 [0,1,0,0,0,1|2,0,0]=4 950 B17R2.18638 O=C1OCC(O1)SCCc2ccccc2Br 62a_100012161201_100000032252 [0,1,0,0,0,1|2,0,0]=4 951 B17R2.18638 O=C1OCC(O1)SCCc2ccccc2Cl 62a_100011713703_100000032252 [0,1,0,0,0,1|2,0,0]=4 952 B17R2.18638 O=C1OCC(O1)SCCc2ccccc2F 62a_100011713696_100000032252 [0,1,0,0,0,1|2,0,0]=4 953 B17R2.18638 O=C1OCC(O1)SCCc2ccccc2O 62a_100000722297_100000032252 [0,1,0,0,0,1|2,0,0]=4 954 B17R2.210 Cc1ccc(cc1)CC(=O)C2CSC(=N2)N 1458a_100000002200_100000210814 [0,2,0,0,0,0|0,1,1]=4 955 B17R2.210 NC1=NC(CS1)C(=O)Cc2ccc(cc2)Br 1458a_100000002200_100000189115 [0,2,0,0,0,0|0,1,1]=4 956 B17R2.210 NC1=NC(CS1)C(=O)Cc2ccc(cc2)Cl 1458a_100000002200_100000694040 [0,2,0,0,0,0|0,1,1]=4 957 B17R2.210 NC1=NC(CS1)C(=O)Cc2ccc(cc2)F 1458a_100000002200_100000198546 [0,2,0,0,0,0|0,1,1]=4 958 B17R2.210 NC1=NC(CS1)C(=O)Cc2ccc(cc2)I 1458a_100000002200_100000189116 [0,2,0,0,0,0|0,1,1]=4 959 B17R2.5294 Cc1cccc(c1)CC(=O)C2CSC(=N2)N 1458a_100000002200_100000211840 [0,2,0,0,0,0|0,1,1]=4 960 B17R2.5294 NC1=NC(CS1)C(=O)Cc2cccc(c2)Br 1458a_100000002200_100000211773 [0,2,0,0,0,0|0,1,1]=4 961 B17R2.5294 NC1=NC(CS1)C(=O)Cc2cccc(c2)Cl 1458a_100000002200_100000181238 [0,2,0,0,0,0|0,1,1]=4 962 B17R2.5294 NC1=NC(CS1)C(=O)Cc2cccc(c2)F 1458a_100000002200_100000230114 [0,2,0,0,0,0|0,1,1]=4 963 B17R2.5294 NC1=NC(CS1)C(=O)Cc2cccc(c2)I 1458a_100000002200_100011218688 [0,2,0,0,0,0|0,1,1]=4 964 B17R2.5294 NC1=NC(CS1)C(=O)Cc2cccc(c2)O 1458a_100000002200_100011660834 [0,2,0,0,0,0|0,1,1]=4 965 B17R2.5637 NC(=O)c1nc(no1)CCc2ccccc2 270196a_100000212256_100011215815 [0,2,0,0,0,0|1,0,1]=4 966 B17R2.8654 CC(C(=O)C1CSC(=N1)N)c2ccccc2 1458a_100000002200_100000230085 [0,2,0,0,0,0|0,1,1]=4 967 B17R2.18667 Cc1ccccc1CC(=O)C2CSC(=N2)N 1458a_100000002200_100000211839 [0,2,0,0,0,0|0,1,1]=4 968 B17R2.18667 NC1=NC(CS1)C(=O)Cc2ccccc2Br 1458a_100000002200_100000184730 [0,2,0,0,0,0|0,1,1]=4 969 B17R2.18667 NC1=NC(CS1)C(=O)Cc2ccccc2Cl 1458a_100000002200_100000187162 [0,2,0,0,0,0|0,1,1]=4 970 B17R2.18667 NC1=NC(CS1)C(=O)Cc2ccccc2F 1458a_100000002200_100000187165 [0,2,0,0,0,0|0,1,1]=4 971 B17R2.18667 NC1=NC(CS1)C(=O)Cc2ccccc2I 1458a_100000002200_100011216222 [0,2,0,0,0,0|0,1,1]=4 972 B17R3.2396 O=C1OCC(O1)SC2Cc3c2cccc3 62a_100009813401_100000032252 [0,0,0,1,0,1|2,0,0]=4 973 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,0,1,0,1,0|2,0,0]=4 974 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,0,1,0,1,0|2,0,0]=4 975 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,0,1,0,1,0|2,0,0]=4 976 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,0,1,0,1,0|2,0,0]=4 977 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,0,1,0,1,0|2,0,0]=4 978 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,0,1,0,1,0|2,0,0]=4 979 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,0,1,0,1,0|2,0,0]=4 980 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,0,1,0,1,0|2,0,0]=4 981 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,0,1,0,1,0|2,0,0]=4 982 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,0,1,0,1,0|2,0,0]=4 983 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,0,1,0,1,0|2,0,0]=4 984 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,0,1,0,1,0|2,0,0]=4 985 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,0,1,0,1,0|2,0,0]=4 986 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,0,1,0,1,0|2,0,0]=4 987 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,0,1,0,1,0|2,0,0]=4 988 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,0,1,0,1,0|2,0,0]=4 989 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,0,1,0,1,0|2,0,0]=4 990 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,0,1,0,1,0|1,0,1]=4 991 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,0,1,0,1,0|1,0,1]=4 992 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,0,1,0,1,0|1,0,1]=4 993 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,0,1,0,1,0|1,0,1]=4 994 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,0,1,0,1,0|1,0,1]=4 995 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,0,1,0,1,0|1,0,1]=4 996 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,0,1,0,1,0|1,0,1]=4 997 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,0,1,0,1,0|1,0,1]=4 998 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,0,1,0,1,0|1,0,1]=4 999 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,0,1,0,1,0|1,0,1]=4 1000 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,0,1,0,1,0|1,0,1]=4 1001 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,0,1,0,1,0|1,0,1]=4 1002 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,0,1,0,1,0|1,0,1]=4 1003 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,0,1,0,1,0|1,0,1]=4 1004 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,1,0,1,0|2,0,0]=4 1005 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [1,0,0,0,1,0|1,0,1]=4 1006 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [1,0,0,0,1,0|1,0,1]=4 1007 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [1,0,0,0,1,0|1,0,1]=4 1008 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [1,0,0,0,1,0|1,0,1]=4 1009 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [1,0,0,0,1,0|1,0,1]=4 1010 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [1,0,0,0,1,0|1,0,1]=4 1011 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [1,0,0,0,1,0|1,0,1]=4 1012 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [1,0,0,0,1,0|1,0,1]=4 1013 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [1,0,0,0,1,0|1,0,1]=4 1014 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [1,0,0,0,1,0|1,0,1]=4 1015 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [1,0,0,0,1,0|1,0,1]=4 1016 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [1,0,0,0,1,0|1,0,1]=4 1017 B15R1.504 C=C(C)COCCCCc1ccccc1 34a_100000210245_100000701786 [0,0,1,0,0,1|2,0,0]=4 1018 B15R1.504 C=C(C)COCCCCc1ccccc1 34a_100000703073_100000748629 [0,0,1,0,0,1|2,0,0]=4 1019 B15R1.504 C=C(C)COCCCCc1ccccc1 7a_100000703073_100000748629 [0,0,1,0,0,1|2,0,0]=4 1020 B15R1.504 C=C(F)COCCCCc1ccccc1 34a_100000703073_100009893438 [0,0,1,0,0,1|2,0,0]=4 1021 B15R1.504 C=C(F)COCCCCc1ccccc1 34a_200010262243_100000701786 [0,0,1,0,0,1|2,0,0]=4 1022 B15R1.504 C=C(F)COCCCCc1ccccc1 7a_100000703073_100000042424 [0,0,1,0,0,1|2,0,0]=4 1023 B15R1.504 CC(=O)COCCCCc1ccccc1 34a_100000211253_100000701786 [0,0,1,0,0,1|2,0,0]=4 1024 B15R1.504 CC(=O)OCCCCNc1ccccc1 34a_100000106764_100000033659 [0,0,1,0,0,1|2,0,0]=4 1025 B15R1.504 CC(=O)OCCCCOc1ccccc1 34a_100000210340_100000033659 [0,0,1,0,0,1|2,0,0]=4 1026 B15R1.504 CC(=O)OCCCCOc1ccccc1 7a_100000210340_100000033659 [0,0,1,0,0,1|2,0,0]=4 1027 B15R1.504 CC(=O)OCCCCSc1ccccc1 62a_100000033659_100000041952 [0,0,1,0,0,1|2,0,0]=4 1028 B15R1.504 CC(=O)OCCCCSc1ccccc1 62a_100000719477_100000033659 [0,0,1,0,0,1|2,0,0]=4 1029 B15R1.504 CC(=O)OCCCNCc1ccccc1 34a_100015324214_100000042594 [0,0,1,0,0,1|2,0,0]=4 1030 B15R1.504 CC(=O)OCCCOCc1ccccc1 34a_100000210790_100000042594 [0,0,1,0,0,1|2,0,0]=4 1031 B15R1.504 CC(=O)OCCCOCc1ccccc1 7a_100000210790_100000042594 [0,0,1,0,0,1|2,0,0]=4 1032 B15R1.504 CC(=O)OCCCSCc1ccccc1 62a_100000042594_100015291786 [0,0,1,0,0,1|2,0,0]=4 1033 B15R1.504 CC(=O)OCCCSCc1ccccc1 62a_100000211182_100000042594 [0,0,1,0,0,1|2,0,0]=4 1034 B15R1.504 CC(=O)OCCNCCc1ccccc1 34a_100000106460_100009814007 [0,0,1,0,0,1|2,0,0]=4 1035 B15R1.504 CC(=O)OCCOCCc1ccccc1 34a_100000210268_100009814007 [0,0,1,0,0,1|2,0,0]=4 1036 B15R1.504 CC(=O)OCCOCCc1ccccc1 7a_100000210268_100009814007 [0,0,1,0,0,1|2,0,0]=4 1037 B15R1.504 CC(=O)OCCSCCc1ccccc1 62a_100000765856_100009814007 [0,0,1,0,0,1|2,0,0]=4 1038 B15R1.504 CC(=O)OCCSCCc1ccccc1 62a_100009814007_100011218657 [0,0,1,0,0,1|2,0,0]=4 1039 B15R1.504 CC(=O)OCNCCCc1ccccc1 34a_100000211184_100009813279 [0,0,1,0,0,1|2,0,0]=4 1040 B15R1.504 CC(=O)OCOCCCc1ccccc1 34a_100000210828_100009813279 [0,0,1,0,0,1|2,0,0]=4 1041 B15R1.504 CC(=O)OCSCCCc1ccccc1 62a_100000076356_100000211621 [0,0,1,0,0,1|2,0,0]=4 1042 B15R1.504 CC(=O)OCSCCCc1ccccc1 62a_100000211621_100000076356 [0,0,1,0,0,1|2,0,0]=4 1043 B15R1.504 CC(=S)OCCCNCc1ccccc1 2230a_100015324214_200135323944 [0,0,1,0,0,1|2,0,0]=4 1044 B15R1.504 CC(=S)OCCCNCc1ccccc1 34a_100015324214_200135323944 [0,0,1,0,0,1|2,0,0]=4 1045 B15R1.504 CC(=S)OCCCOCc1ccccc1 34a_100000210790_200135323944 [0,0,1,0,0,1|2,0,0]=4 1046 B15R1.504 CC(=S)OCCCOCc1ccccc1 7a_100000210790_200135323944 [0,0,1,0,0,1|2,0,0]=4 1047 B15R1.504 CC(=S)OCCCSCc1ccccc1 62a_100000211182_200135323944 [0,0,1,0,0,1|2,0,0]=4 1048 B15R1.504 CC(=S)OCCCSCc1ccccc1 62a_200135323944_100015291786 [0,0,1,0,0,1|2,0,0]=4 1049 B15R1.504 C[C@@H](N)COCCCCc1ccccc1 34a_100000737577_100000701786 [0,0,1,0,0,1|1,0,1]=4 1050 B15R1.504 NC(=O)CCCCCNc1ccccc1 34a_100000106764_100009817443 [0,0,1,0,0,1|2,0,0]=4 1051 B15R1.504 NC(=O)CCCCCOc1ccccc1 34a_100000210340_100009817443 [0,0,1,0,0,1|2,0,0]=4 1052 B15R1.504 NC(=O)CCCCCOc1ccccc1 7a_100000210340_100009817443 [0,0,1,0,0,1|2,0,0]=4 1053 B15R1.504 NC(=O)CCCCCSc1ccccc1 62a_100000719477_100009817443 [0,0,1,0,0,1|2,0,0]=4 1054 B15R1.504 NC(=O)CCCCCSc1ccccc1 62a_100009817443_100000041952 [0,0,1,0,0,1|2,0,0]=4 1055 B15R1.504 NC(=O)CCCCNCc1ccccc1 207a_100000696515_100015611070 [0,0,1,0,0,1|2,0,0]=4 1056 B15R1.504 NC(=O)CCCCNCc1ccccc1 270004a_100000696515_100015611070 [0,0,1,0,0,1|2,0,0]=4 1057 B15R1.504 NC(=O)CCCCNCc1ccccc1 34a_100000696515_100015291786 [0,0,1,0,0,1|2,0,0]=4 1058 B15R1.504 NC(=O)CCCCOCc1ccccc1 34a_100012022536_100015291786 [0,0,1,0,0,1|2,0,0]=4 1059 B15R1.504 NC(=O)CCCCOCc1ccccc1 7a_100012022536_100000211182 [0,0,1,0,0,1|2,0,0]=4 1060 B15R1.504 NC(=O)CCCNCCc1ccccc1 34a_100000106460_100102525003 [0,0,1,0,0,1|2,0,0]=4 1061 B15R1.504 NC(=O)CCCNCCc1ccccc1 34a_100000739312_100000765856 [0,0,1,0,0,1|2,0,0]=4 1062 B15R1.504 NC(=O)CCCOCCc1ccccc1 34a_100000210268_100102525003 [0,0,1,0,0,1|2,0,0]=4 1063 B15R1.504 NC(=O)CCCOCCc1ccccc1 7a_100000210268_100102525003 [0,0,1,0,0,1|2,0,0]=4 1064 B15R1.504 NC(=O)CCCSCCc1ccccc1 62a_100000765856_100102525003 [0,0,1,0,0,1|2,0,0]=4 1065 B15R1.504 NC(=O)CCCSCCc1ccccc1 62a_100102525003_100011218657 [0,0,1,0,0,1|2,0,0]=4 1066 B15R1.504 NC(=O)CCNCCCc1ccccc1 2230a_100000211184_100000744528 [0,0,1,0,0,1|2,0,0]=4 1067 B15R1.504 NC(=O)CCNCCCc1ccccc1 34a_100000211184_100000731001 [0,0,1,0,0,1|2,0,0]=4 1068 B15R1.504 NC(=O)CCOCCCc1ccccc1 34a_100000210828_100000731001 [0,0,1,0,0,1|2,0,0]=4 1069 B15R1.504 NC(=O)CCOCCCc1ccccc1 34a_100000757172_100000211621 [0,0,1,0,0,1|2,0,0]=4 1070 B15R1.504 NC(=O)CCOCCCc1ccccc1 7a_100000210828_100000744528 [0,0,1,0,0,1|2,0,0]=4 1071 B15R1.504 NC(=O)CCOCCCc1ccccc1 7a_100000757172_100000211621 [0,0,1,0,0,1|2,0,0]=4 1072 B15R1.504 NC(=O)CCSCCCc1ccccc1 62a_100000211621_100000744528 [0,0,1,0,0,1|2,0,0]=4 1073 B15R1.504 NC(=O)CCSCCCc1ccccc1 62a_100000744528_100000211621 [0,0,1,0,0,1|2,0,0]=4 1074 B15R1.504 NC(=O)CNCCCCc1ccccc1 2230a_100000711301_100000701786 [0,0,1,0,0,1|2,0,0]=4 1075 B15R1.504 NC(=O)CNCCCCc1ccccc1 2230a_100015280158_100000747473 [0,0,1,0,0,1|2,0,0]=4 1076 B15R1.504 NC(=O)CNCCCCc1ccccc1 34a_100015280158_100000187820 [0,0,1,0,0,1|2,0,0]=4 1077 B15R1.504 NC(=O)COCCCCc1ccccc1 34a_100000703073_100000187820 [0,0,1,0,0,1|1,0,0]=3 1078 B15R1.504 NC(=O)COCCCCc1ccccc1 7a_100000703073_100000187820 [0,0,1,0,0,1|1,0,0]=3 1079 B15R1.504 NC(=O)COCCCCc1ccccn1 34a_100012186994_100000187820 [0,0,1,0,0,1|2,0,0]=4 1080 B15R1.504 NC(=O)COCCCCc1cccnc1 34a_100012039607_100000187820 [0,0,1,0,0,1|2,0,0]=4 1081 B15R1.504 NC(=O)COCCCCc1cccnc1 7a_100012039607_100000187820 [0,0,1,0,0,1|2,0,0]=4 1082 B15R1.504 NC(=O)COCCCCc1ccncc1 34a_100011787716_100000187820 [0,0,1,0,0,1|2,0,0]=4 1083 B15R1.504 NC(=O)COCCCNc1ccccc1 34a_100000212590_100000187820 [0,0,1,0,0,1|2,0,0]=4 1084 B15R1.504 NC(=O)COCCCOc1ccccc1 34a_100011215863_100000187820 [0,0,1,0,0,1|2,0,0]=4 1085 B15R1.504 NC(=O)COCCCOc1ccccc1 7a_100011215863_100000187820 [0,0,1,0,0,1|2,0,0]=4 1086 B15R1.504 NC(=O)COCCNCc1ccccc1 2230a_100015324214_100000076697 [0,0,1,0,0,1|2,0,0]=4 1087 B15R1.504 NC(=O)COCCNCc1ccccc1 34a_100000180844_100000187820 [0,0,1,0,0,1|2,0,0]=4 1088 B15R1.504 NC(=O)COCCNCc1ccccc1 34a_100015324214_100000076697 [0,0,1,0,0,1|2,0,0]=4 1089 B15R1.504 NC(=O)COCCOCc1ccccc1 34a_100000210790_100000076697 [0,0,1,0,0,1|2,0,0]=4 1090 B15R1.504 NC(=O)COCCOCc1ccccc1 34a_100000759325_100000187820 [0,0,1,0,0,1|2,0,0]=4 1091 B15R1.504 NC(=O)COCCOCc1ccccc1 7a_100000210790_100000076697 [0,0,1,0,0,1|2,0,0]=4 1092 B15R1.504 NC(=O)COCCOCc1ccccc1 7a_100000759325_100000187820 [0,0,1,0,0,1|2,0,0]=4 1093 B15R1.504 NC(=O)COCCSCc1ccccc1 34a_100011205989_100000187820 [0,0,1,0,0,1|2,0,0]=4 1094 B15R1.504 NC(=O)COCCSCc1ccccc1 62a_100000076697_100015291786 [0,0,1,0,0,1|2,0,0]=4 1095 B15R1.504 NC(=O)COCCSCc1ccccc1 62a_100000211182_100000076697 [0,0,1,0,0,1|2,0,0]=4 1096 B15R1.504 NC(=O)COCCSCc1ccccc1 7a_100011205989_100000187820 [0,0,1,0,0,1|2,0,0]=4 1097 B15R1.504 NC(=O)CSCCCCc1ccccc1 62a_100000701786_100000747473 [0,0,1,0,0,1|1,1,0]=4 1098 B15R1.504 NC(=O)CSCCCCc1ccccc1 62a_100000747473_100000701786 [0,0,1,0,0,1|1,1,0]=4 1099 B15R1.504 NC(=O)NCCNCCc1ccccc1 2230a_100000106460_200000034859 [0,0,1,0,0,1|2,0,0]=4 1100 B15R1.504 NC(=O)NCCNCCc1ccccc1 34a_100020590234_100000765856 [0,0,1,0,0,1|2,0,0]=4 1101 B15R1.504 NC(=O)NCCOCCc1ccccc1 34a_100000181757_100000765856 [0,0,1,0,0,1|2,0,0]=4 1102 B15R1.504 NC(=O)NCCOCCc1ccccc1 7a_100000210268_200000034859 [0,0,1,0,0,1|2,0,0]=4 1103 B15R1.504 NC(=O)NCCSCCc1ccccc1 62a_100000765856_200000034859 [0,0,1,0,0,1|2,0,0]=4 1104 B15R1.504 NC(=O)NCCSCCc1ccccc1 62a_200000034859_100011218657 [0,0,1,0,0,1|2,0,0]=4 1105 B15R1.504 NC(=O)OCCNCCc1ccccc1 34a_100000106460_200011214921 [0,0,1,0,0,1|1,0,0]=3 1106 B15R1.504 NC(=O)OCCOCCc1ccccc1 34a_100000210268_200011214921 [0,0,1,0,0,1|1,0,0]=3 1107 B15R1.504 NC(=O)OCCOCCc1ccccc1 7a_100000210268_200011214921 [0,0,1,0,0,1|1,0,0]=3 1108 B15R1.504 NC(=O)OCCOCCc1ccccc1 7a_100000766696_100000765856 [0,0,1,0,0,1|1,0,0]=3 1109 B15R1.504 NC(=O)OCCOCCc1ccccn1 34a_100000210271_200011214921 [0,0,1,0,0,1|2,0,0]=4 1110 B15R1.504 NC(=O)OCCOCCc1ccccn1 7a_100000766696_100015183660 [0,0,1,0,0,1|2,0,0]=4 1111 B15R1.504 NC(=O)OCCOCCc1cccnc1 34a_100011217484_200011214921 [0,0,1,0,0,1|2,0,0]=4 1112 B15R1.504 NC(=O)OCCOCCc1cccnc1 7a_100000766696_200011713674 [0,0,1,0,0,1|2,0,0]=4 1113 B15R1.504 NC(=O)OCCOCCc1ccncc1 34a_100011216225_200011214921 [0,0,1,0,0,1|2,0,0]=4 1114 B15R1.504 NC(=O)OCCOCCc1ccncc1 7a_100000766696_100000723409 [0,0,1,0,0,1|2,0,0]=4 1115 B15R1.504 NC(=O)OCCSCCc1ccccc1 62a_100000765856_200011214921 [0,0,1,0,0,1|1,0,0]=3 1116 B15R1.504 NC(=O)OCCSCCc1ccccc1 62a_200011214921_100011218657 [0,0,1,0,0,1|1,0,0]=3 1117 B15R1.504 NC(=O)OCCSCCc1ccccn1 62a_100015183660_200011214921 [0,0,1,0,0,1|2,0,0]=4 1118 B15R1.504 NC(=O)OCCSCCc1ccccn1 62a_200011214921_100015183660 [0,0,1,0,0,1|2,0,0]=4 1119 B15R1.504 NC(=O)OCCSCCc1cccnc1 62a_200011214921_200011713674 [0,0,1,0,0,1|2,0,0]=4 1120 B15R1.504 NC(=O)OCCSCCc1cccnc1 62a_200011713674_200011214921 [0,0,1,0,0,1|2,0,0]=4 1121 B15R1.504 NC(=O)OCCSCCc1ccncc1 62a_100000723409_200011214921 [0,0,1,0,0,1|2,0,0]=4 1122 B15R1.504 NC(=O)OCCSCCc1ccncc1 62a_200011214921_100000723409 [0,0,1,0,0,1|2,0,0]=4 1123 B15R1.504 NC(=O)OCCSCSc1ccccc1 62a_100011218342_200011214921 [0,0,1,0,0,1|2,0,0]=4 1124 B15R1.504 NC(=O)OCCSCSc1ccccc1 62a_200011214921_100011218342 [0,0,1,0,0,1|2,0,0]=4 1125 B15R1.504 O=C([O-])COCCCCc1ccccc1 34a_100000703073_100020667443 [0,0,1,0,0,1|2,0,0]=4 1126 B15R1.1306 C=CC[C@H](CO)NCCc1ccccc1 2230a_100020615467_100000765856 [0,0,1,0,0,1|2,0,0]=4 1127 B15R2.2196 C1=CCC(C1)COCc2ccccc2 34a_100000688395_100015291786 [1,0,0,0,0,1|2,0,0]=4 1128 B15R2.2196 C1=CCC(C1)NCCc2ccccc2 2230a_100015188752_100000765856 [1,0,0,0,0,1|2,0,0]=4 1129 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 2230a_100000106460_100000731011 [1,0,0,0,0,1|1,0,1]=4 1130 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 270004a_100000106460_100000752484 [1,0,0,0,0,1|1,0,1]=4 1131 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 34a_100000106460_100000690089 [1,0,0,0,0,1|1,0,1]=4 1132 B15R2.2196 c1ccc(cc1)CCN[C@@H]2CCOC2 2230a_200015188469_100000765856 [1,0,0,0,0,1|1,0,1]=4 1133 B15R2.2196 c1ccc(cc1)CCN[C@H]2CCOC2 2230a_100015188467_100000765856 [1,0,0,0,0,1|1,0,1]=4 1134 B15R2.2196 c1ccc(cc1)CCN[C@H]2CCOC2 34a_100015188467_100000765856 [1,0,0,0,0,1|1,0,1]=4 1135 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 34a_100000210268_100000690089 [1,0,0,0,0,1|1,0,1]=4 1136 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 7a_100000210268_100000731011 [1,0,0,0,0,1|1,0,1]=4 1137 B15R2.2196 c1ccc(cc1)CCO[C@H]2CCOC2 34a_100000717292_100000765856 [1,0,0,0,0,1|1,0,1]=4 1138 B15R2.2196 c1ccc(cc1)CCSC2CCOC2 62a_100000765856_100000690089 [1,0,0,0,0,1|1,0,1]=4 1139 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 207a_100000737293_100015611070 [1,0,0,0,0,1|1,0,1]=4 1140 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 2230a_100000737293_100015291786 [1,0,0,0,0,1|1,0,1]=4 1141 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 2230a_100015324214_100000702531 [1,0,0,0,0,1|1,0,1]=4 1142 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 270004a_100000737293_100015611070 [1,0,0,0,0,1|1,0,1]=4 1143 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 34a_100000737293_100015291786 [1,0,0,0,0,1|1,0,1]=4 1144 B15R2.2196 c1ccc(cc1)CNCC2CCOC2 34a_100015324214_100011261433 [1,0,0,0,0,1|1,0,1]=4 1145 B15R2.2196 c1ccc(cc1)CNCc2cocn2 207a_100015188801_100015611070 [1,0,0,0,0,1|0,0,2]=4 1146 B15R2.2196 c1ccc(cc1)CNCc2cocn2 270004a_100015188801_100015611070 [1,0,0,0,0,1|0,0,2]=4 1147 B15R2.2196 c1ccc(cc1)CNCc2cocn2 270004a_100015324214_100000050382 [1,0,0,0,0,1|0,0,2]=4 1148 B15R2.2196 c1ccc(cc1)CNCc2ncon2 34a_100015324214_100000233494 [1,0,0,0,0,1|1,0,1]=4 1149 B15R2.2196 c1ccc(cc1)COCC2CCOC2 34a_100000210790_100011261433 [1,0,0,0,0,1|1,0,1]=4 1150 B15R2.2196 c1ccc(cc1)COCC2CCOC2 34a_100000740260_100015291786 [1,0,0,0,0,1|1,0,1]=4 1151 B15R2.2196 c1ccc(cc1)COCC2CCOC2 7a_100000210790_100000702531 [1,0,0,0,0,1|1,0,1]=4 1152 B15R2.2196 c1ccc(cc1)COCC2COCO2 34a_100011216627_100015291786 [1,0,0,0,0,1|1,0,1]=4 1153 B15R2.2196 c1ccc(cc1)COCc2ncon2 34a_100000210790_100000233494 [1,0,0,0,0,1|1,0,1]=4 1154 B15R2.2196 c1ccc(cc1)CSCC2CCOC2 62a_100000211182_100000702531 [1,0,0,0,0,1|1,0,1]=4 1155 B15R2.2196 c1ccc(cc1)CSCC2CCOC2 62a_100000702531_100015291786 [1,0,0,0,0,1|1,0,1]=4 1156 B15R2.2196 c1ccc(cc1)CSCc2ncon2 62a_100000211182_100000233494 [1,0,0,0,0,1|1,0,1]=4 1157 B15R2.2196 c1ccc(cc1)CSCc2ncon2 62a_100000233494_100015291786 [1,0,0,0,0,1|1,0,1]=4 1158 B17R2.5301 O=C1COCC(N1)COCc2ccccc2 34a_200000101122_100015291786 [0,0,0,0,0,2|1,0,1]=4 1159 B17R2.3230 O=C1N[C@H](CO1)CNCCc2ccccc2 2230a_100000106460_100015307671 [0,0,0,0,0,2|1,0,1]=4 1160 B17R2.3230 O=C1N[C@H](CO1)CNCCc2ccccc2 34a_100000106460_100015307671 [0,0,0,0,0,2|1,0,1]=4 1161 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccccc2 34a_100000210268_100015307671 [0,0,0,0,0,2|1,0,1]=4 1162 B17R2.3230 O=C1N[C@H](CO1)COCCc2ccccc2 7a_100000210268_100015307671 [0,0,0,0,0,2|1,0,1]=4 1163 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccccc2 62a_100000765856_100015307671 [0,0,0,0,0,2|1,0,1]=4 1164 B17R2.3230 O=C1N[C@H](CO1)CSCCc2ccccc2 62a_100015307671_100011218657 [0,0,0,0,0,2|1,0,1]=4 1165 B17R2.3230 O=C1N[C@H](CO1)CSCSc2ccccc2 62a_100011218342_100015307671 [0,0,0,0,0,2|1,0,1]=4 1166 B17R2.3230 O=C1N[C@H](CO1)CSCSc2ccccc2 62a_100015307671_100011218342 [0,0,0,0,0,2|1,0,1]=4 1167 B17R2.3230 O=C1OCC(O1)CNCCc2ccccc2 34a_100000106460_100000073702 [0,0,0,0,0,2|2,0,0]=4 1168 B17R2.3230 O=C1OCC(O1)COCCc2ccccc2 34a_100000210268_100000073702 [0,0,0,0,0,2|2,0,0]=4 1169 B17R2.3230 O=C1OCC(O1)CSCCc2ccccc2 62a_100000073702_100011218657 [0,0,0,0,0,2|2,0,0]=4 1170 B17R2.3230 O=C1OCC(O1)CSCCc2ccccc2 62a_100000765856_100000073702 [0,0,0,0,0,2|2,0,0]=4 1171 B17R2.3230 O=C1OCC(O1)CSCSc2ccccc2 62a_100000073702_100011218342 [0,0,0,0,0,2|2,0,0]=4 1172 B17R2.3230 O=C1OCC(O1)CSCSc2ccccc2 62a_100011218342_100000073702 [0,0,0,0,0,2|2,0,0]=4 1173 B17R2.3230 O=C1OCC(O1)NCCCc2ccccc2 34a_100000211184_100000032252 [0,0,0,0,0,2|2,0,0]=4 1174 B17R2.3230 O=C1OCC(O1)NCCOc2ccccc2 34a_100000174943_100000032252 [0,0,0,0,0,2|2,0,0]=4 1175 B17R2.3230 O=C1OCC(O1)OCCCc2ccccc2 34a_100000210828_100000032252 [0,0,0,0,0,2|2,0,0]=4 1176 B17R2.3230 O=C1OCC(O1)OCCNc2ccccc2 34a_100000211345_100000032252 [0,0,0,0,0,2|2,0,0]=4 1177 B17R2.3230 O=C1OCC(O1)OCCOc2ccccc2 34a_100000210260_100000032252 [0,0,0,0,0,2|2,0,0]=4 1178 B17R2.3230 O=C1OCC(O1)SCCCc2ccccc2 62a_100000211621_100000032252 [0,0,0,0,0,2|2,0,0]=4 1179 B17R2.3230 O=C1OCC(O1)SCCOc2ccccc2 62a_100000184471_100000032252 [0,0,0,0,0,2|2,0,0]=4 1180 B17R2.3230 O=C1OCC(O1)SCCSc2ccccc2 62a_100000246102_100000032252 [0,0,0,0,0,2|2,0,0]=4 1181 B17R2.3230 O=C1OCC(O1)SCOCc2ccccc2 62a_100000763385_100000032252 [0,0,0,0,0,2|2,0,0]=4 1182 B17R2.3230 O=C1OCC(O1)SCSCc2ccccc2 62a_200011217039_100000032252 [0,0,0,0,0,2|2,0,0]=4