0 B17R3.3273 c1ccc(cc1)[C@H]2CO[C@H]3N2C(=O)CC3 TS19598 [0,1,0,0,0,0|2,0,1]=4 1 B15R2.66 c1ccc(cc1)C2CCN(C2)CCN TS51172 [0,0,1,0,0,0|3,0,0]=4 2 B15R2.118 c1ccc(cc1)CN2CCCC2CO TS46484 [0,0,1,0,0,0|3,0,0]=4 3 B15R2.118 c1ccc(cc1)CN2CCC[C@@H]2CO TS17333 [0,0,1,0,0,0|3,0,0]=4 4 B15R2.118 c1ccc(cc1)CN2CCC[C@H]2C#N TS15675 [0,0,1,0,0,0|3,0,0]=4 5 B15R2.118 c1ccc(cc1)CN2CCC[C@H]2CO TS17331 [0,0,1,0,0,0|3,0,0]=4 6 B15R2.131 c1ccc(cc1)C(CN)N2CCCC2 TS17163 [0,0,1,0,0,0|1,0,0]=2 7 B15R2.2196 c1ccc(cc1)CCCC2CCCO2 TS51152 [0,0,1,0,0,0|2,0,0]=3 8 B15R2.2196 c1ccc(cc1)CNCC2CCCO2 TS17343 [0,0,1,0,0,0|3,0,0]=4 9 B17R3.8759 c1ccc(cc1)CN2CCC3C2CNC3 TS38325 [0,0,0,0,0,1|3,0,0]=4 10 B14R2.30 c1ccc(cc1)CC2CCCC2=O TS45814 [1,0,1,0,0,0|1,0,1]=4 11 B14R2.114 CC(c1ccccc1)C2OCCO2 TS14250 [1,0,1,0,0,0|2,0,0]=4 12 B16R2.148 COC(=O)[C@@H]1CNC[C@H]1c2ccccc2 TS38831 [0,1,1,0,0,0|1,0,1]=4 13 B16R2.519 c1ccc(cc1)C(C2CCCC2)C(=O)O TS19782 [0,1,1,0,0,0|1,0,1]=4 14 B16R2.524 c1ccc(cc1)C[C@@H](CN2CCCC2)N TS38678 [0,1,1,0,0,0|2,0,0]=4 15 B16R2.5767 c1ccc(cc1)C(CCN2CCCC2)Cl TS29517 [0,1,1,0,0,0|2,0,0]=4 16 B16R2.5767 c1ccc(cc1)C(CCN2CCCC2)N TS38676 [0,1,1,0,0,0|2,0,0]=4 17 B16R2.5767 c1ccc(cc1)C(CCN2CCCC2)O TS20027 [0,1,1,0,0,0|2,0,0]=4 18 B14R1.123 CCCCCCCCc1ccccc1 TS51193 [0,0,2,0,0,0|1,0,0]=3 19 B14R1.123 CCCCCCCCc1ccncc1 TS51361 [0,0,2,0,0,0|2,0,0]=4 20 B14R1.123 c1ccc(cc1)CCCCCCCBr TS67709 [0,0,2,0,0,0|2,0,0]=4 21 B14R1.123 c1ccc(cc1)CCCCCCCO TS51538 [0,0,2,0,0,0|2,0,0]=4 22 B14R2.1259 c1cc(oc1)C(CN)N2CCCC2 TS47961 [0,0,1,0,1,0|2,0,0]=4 23 B14R2.1253 c1ccc(cc1)C2CCCNCC2 TS44088 [0,0,1,0,1,0|1,0,0]=3 24 B14R2.1253 c1ccc(cc1)C2CNCCCN2 TS46182 [0,0,1,0,1,0|1,0,0]=3 25 B14R2.101 c1ccc(cc1)CCC2CCCN2 TS46008 [0,0,1,0,1,0|1,0,0]=3 26 B14R2.101 c1ccc(cc1)CCC2CCNC2 TS46013 [0,0,1,0,1,0|1,0,0]=3 27 B14R2.101 c1ccc(cc1)CNC2CCCC2 TS46010 [0,0,1,0,1,0|0,0,0]=2 28 B14R2.101 c1ccc(cc1)CO[C@@H]2CCNC2 TS44413 [0,0,1,0,1,0|2,0,0]=4 29 B14R2.101 c1ccc(cc1)CO[C@H]2CCNC2 TS21583 [0,0,1,0,1,0|2,0,0]=4 30 B14R2.101 c1ccc(cc1)NC[C@@H]2CCCN2 TS46171 [0,0,1,0,1,0|2,0,0]=4 31 B14R2.101 c1ccc(cc1)NC[C@H]2CCCN2 TS39980 [0,0,1,0,1,0|2,0,0]=4 32 B14R2.101 c1cnccc1CCN2CCCC2 TS13912 [0,0,1,0,1,0|2,0,0]=4 33 B14R2.101 c1cnccc1NCC2CCCC2 TS27877 [0,0,1,0,1,0|2,0,0]=4 34 B16R2.7 CCC[C@H]1CC[C@@H](CC1)c2ccccc2 TS19461 [0,0,1,0,0,1|1,0,0]=3 35 B16R2.172 CCC1CNCCN1Cc2ccccc2 TS38683 [0,0,1,0,0,1|2,0,0]=4 36 B16R2.187 c1ccc(cc1)C(C#N)C2CCCCC2 TS37768 [0,0,1,0,0,1|0,0,2]=4 37 B16R2.187 c1ccc(cc1)C(CN)N2CCOCC2 TS39069 [0,0,1,0,0,1|1,0,0]=3 38 B16R2.685 c1ccc(cc1)C(CN2CCCC2)CO TS38860 [0,0,1,0,0,1|2,0,0]=4 39 B16R2.2256 c1ccc(cc1)CCCC2CCNCC2 TS19632 [0,0,1,0,0,1|1,0,0]=3 40 B16R2.2256 c1ccc(cc1)CCCC2CCNCC2 TS26434 [0,0,1,0,0,1|1,0,0]=3 41 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 TS19827 [0,0,1,0,0,1|1,0,0]=3 42 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 TS38499 [0,0,1,0,0,1|2,0,0]=4 43 B16R2.2257 c1ccc(cc1)CNCCN2CCCC2 TS38685 [0,0,1,0,0,1|2,0,0]=4