0 B11R1.28 CCNCCc1ccncc1 A2Z00061329 [1,0,0,0,0,0|2,0,1]=4 1 B11R1.40 CC(CN)Oc1ccccc1 A2Z00038576 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.40 CC(Cc1ccccc1)CN A2Z00046432 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [1,0,0,0,0,0|1,0,2]=4 5 B13R2.135 Cc1c(c2ccccc2[nH]1)C=O A2Z00098831 [0,0,0,1,0,0|2,0,1]=4 6 B13R2.135 Cc1c(c2ccccc2s1)C=O A2Z00049753 [0,0,0,1,0,0|2,0,1]=4 7 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 A2Z00097492 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 A2Z00061300 [0,0,0,1,0,0|2,0,1]=4 9 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=S)[nH]2 A2Z00056915 [0,0,0,1,0,0|2,0,1]=4 10 B11R1.16 CC(CCN)c1ccccc1 A2Z00046307 [0,0,0,0,1,0|2,0,1]=4 11 B10R1.17 CCNCc1ccccc1 A2Z00093459 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.17 CNCCc1ccncc1 A2Z00061328 [2,0,0,0,0,0|1,0,1]=4 13 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [2,0,0,0,0,0|0,0,2]=4 16 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [2,0,0,0,0,0|0,0,2]=4 17 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [2,0,0,0,0,0|1,0,1]=4 18 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.1 c1cc(ccc1CCCC=O)F A2Z00047941 [1,1,0,0,0,0|1,0,0]=3 20 B12R1.252 c1cc(cnc1)CCCC(=O)O A2Z00049190 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.252 c1ccc(cc1)CNCC(=O)O A2Z00095934 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.252 c1ccc(cc1)NCCC(=O)O A2Z00094158 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.252 c1ccc(cc1)OCCC(=O)O A2Z00077109 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.252 c1ccc(cc1)SCCC(=O)O A2Z00085612 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [1,1,0,0,0,0|0,0,0]=2 26 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.194 CC(C)(Cc1ccccc1)C#N A2Z00070041 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.16 CC(c1ccc(cc1)F)N=C=O A2Z00046537 [0,1,0,0,1,0|0,0,2]=4 30 B12R1.39 CC(C)(c1ccccc1)N=C=O A2Z00049187 [0,1,0,0,1,0|0,0,2]=4 31 B12R1.107 CC(CC(=O)O)c1ccccc1 A2Z00094013 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 A2Z00046260 [0,1,0,0,1,0|1,0,1]=4 33 B14R1.6817 Cc1ccc(cc1)CC(C)(C)NC=O A2Z00095070 [0,2,0,0,0,0|0,0,0]=2 34 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 A2Z00094292 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.1081 c1ccc2c(c1)c(=O)[nH]cn2 A2Z00057219 [1,0,0,1,0,0|1,0,1]=4 36 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A2Z00060373 [1,0,0,1,0,0|2,0,0]=4 37 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O A2Z00069902 [1,0,0,1,0,0|0,0,2]=4 38 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [1,0,0,1,0,0|1,0,1]=4 39 B14R2.52 c1ccc2c(c1)C(=O)NC(=O)CO2 A2Z00007257 [0,0,0,1,0,1|1,0,1]=4 40 B14R2.203 CCN1c2ccccc2NCC1C A2Z00070099 [0,0,0,1,0,1|1,0,1]=4 41 B14R2.598 c1ccc(cc1)C2C(=O)NC(=O)N2 A2Z00098014 [0,0,0,1,0,1|1,0,1]=4 42 B14R2.72 c1cc(ccc1CC2CCCN2)Br A2Z00046322 [0,1,0,1,0,0|1,0,1]=4 43 B14R2.72 c1cc(ccc1CC2CCCN2)Cl A2Z00046321 [0,1,0,1,0,0|1,0,1]=4 44 B14R2.72 c1cc(ccc1CC2CCCN2)F A2Z00046320 [0,1,0,1,0,0|1,0,1]=4 45 B14R2.19 c1ccc(cc1)CC2COC(=O)N2 A2Z00094895 [0,1,0,1,0,0|0,0,0]=2 46 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 A2Z00096123 [0,1,0,1,0,0|2,0,0]=4 47 B14R2.1019 CSc1[nH]c(=O)c2ccccc2n1 A2Z00056798 [0,1,0,1,0,0|1,0,1]=4 48 B14R2.1019 c1ccc2c(c1)c(=O)[nH]c(n2)CCl A2Z00094977 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.15 CC(C#N)c1ccccc1 A2Z00070459 [1,0,0,0,1,0|1,0,1]=4 50 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [1,0,0,0,1,0|0,0,1]=3 51 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [1,0,0,0,1,0|1,0,1]=4