0 B13R2.435 CC(=O)c1cc2cnccc2s1 DA-29015 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.435 CC(C)c1cc2ccccc2[nH]1 DA-26062 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 CC(c1cc2cnccc2s1)O DA-30514 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 c1cc2c(cc([nH]2)C(=O)N)nc1 DA-29329 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 c1cc2cc(nn2nc1)C(=O)O DA-42148 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.435 c1ccc2c(c1)CC(=C2)C(=O)O DA-29352 [0,0,0,0,0,0|1,0,0]=1 6 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)N DA-33526 [0,0,0,0,0,0|1,0,2]=3 7 B13R2.435 c1ccc2c(c1)CN(C2)C(=O)Cl DA-33512 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O DA-29364 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.435 c1ccn2c(c1)nc(n2)C(=O)O DA-30351 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.435 c1ccn2cc(nc2c1)C(=O)Cl DA-33550 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.435 c1ccn2cc(nc2c1)C(=O)N DA-33549 [0,0,0,0,0,0|2,0,1]=3 12 B13R2.435 c1cncc2c1cc(o2)C(=O)Cl DA-33616 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.435 c1cncc2c1nc(s2)C(=O)O DA-41421 [0,0,0,0,0,0|2,0,1]=3 14 B12R2.32 CNc1cc2ccccc2[nH]1 DA-41842 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.32 c1cc2c(cc([nH]2)CN)nc1 DA-29328 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.32 c1cc2c(cc(s2)CO)nc1 DA-40310 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.32 c1cc2cc([nH]c2nc1)CN DA-29334 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.32 c1ccc2c(c1)cc(s2)CCl DA-27765 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.32 c1cncc2c1[nH]c(c2)CO DA-29326 [1,0,0,0,0,0|1,0,1]=3 20 B12R2.32 c1cncc2c1sc(c2)CO DA-47177 [1,0,0,0,0,0|2,0,1]=4 21 B14R2.450 Cc1c2c(cccn2)oc1C(=O)O DA-23322 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.450 Cn1c2ccccc2cc1C(=O)N DA-29239 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.450 c1cc2c(c(c(s2)C(=O)O)Br)nc1 DA-47869 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)Cl DA-23870 [0,1,0,0,0,0|0,0,0]=1 25 B14R2.450 c1ccc2c(c1)c(c(s2)[N+](=O)[O-])N DA-25760 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.450 c1ccn2c(c1)c(c(n2)C(=O)O)Cl DA-23713 [0,1,0,0,0,0|1,0,1]=3 27 B14R2.450 c1cnc2c(c(nn2c1)C(=O)O)Br DA-23892 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.972 CNC(=O)c1cc2ccccc2[nH]1 DA-41659 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.972 CNC(=O)c1cc2ccccc2o1 DA-41799 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.972 CNC(=O)c1cc2ccccc2s1 DA-42755 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.972 COC(=O)C1Oc2ccccc2O1 DA-30294 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.972 COC(=O)c1cc2c(s1)cccn2 DA-42354 [0,1,0,0,0,0|2,0,0]=3 33 B14R2.972 COC(=O)c1cc2ccccn2c1 DA-26102 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.972 COC(=O)c1cc2cnccc2[nH]1 DA-29327 [0,1,0,0,0,0|1,0,0]=2 35 B14R2.972 c1cc2cc([nH]c2nc1)C(=O)NN DA-29335 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.4529 C=C(c1[nH]c2cc(ccc2n1)N)Cl DA-28835 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.4529 CC(=O)c1cc2cc(ccc2[nH]1)Cl DA-30850 [0,1,0,0,0,0|1,0,0]=2 38 B14R2.4529 CC(=O)c1nc2ccc(cc2s1)Br DA-40208 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O DA-36027 [0,1,0,0,0,0|1,0,0]=2 40 B14R2.4529 Cc1ccn2c(c1)cc(n2)C(=O)O DA-37082 [0,1,0,0,0,0|1,0,1]=3 41 B14R2.4529 Cc1cnc2cc(nn2c1)C(=O)O DA-35983 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.4529 c1c(nn2c1ncc(c2)Br)C(=O)O DA-36385 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.4529 c1c2cc(ncc2oc1C(=O)O)Cl DA-37454 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)N DA-36621 [0,1,0,0,0,0|0,0,0]=1 45 B14R2.4529 c1cc(nc2c1[nH]c(c2)C(=O)O)Cl DA-37621 [0,1,0,0,0,0|1,0,0]=2 46 B14R2.4529 c1cc2c(cc1Br)CC(O2)C(=O)O DA-37876 [0,1,0,0,0,0|1,0,2]=4 47 B14R2.4529 c1cc2c(cc1Br)sc(n2)C(=O)Cl DA-36496 [0,1,0,0,0,0|2,0,1]=4 48 B14R2.4529 c1cc2c(cc1Br)sc(n2)C(=O)O DA-36495 [0,1,0,0,0,0|1,0,1]=3 49 B14R2.4529 c1cc2c(cc1Cl)nc(s2)C(=O)Cl DA-37576 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.7969 CC(=O)c1cc2c(o1)ccnc2Cl DA-31008 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)O DA-35589 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.7969 c1c2c(cncc2Br)[nH]c1C(=O)N DA-21270 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.7969 c1c2c(cncc2Br)sc1C(=O)N DA-39790 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)O DA-39366 [0,1,0,0,0,0|0,0,0]=1 55 B14R2.7969 c1cc2c(cc(s2)C(=N)N)c(c1)I DA-39318 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.7969 c1cc2cc([nH]c2c(c1)F)C(=O)O DA-35903 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br DA-28947 [0,0,1,0,0,0|1,0,2]=4 58 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O DA-25737 [0,0,1,0,0,0|2,0,0]=3 59 B12R1.43 c1cnccc1\C=C(\C(=O)O)/O DA-31830 [0,0,1,0,0,0|2,0,0]=3 60 B14R3.14987 c1ccc2c(c1)cc([nH]2)C3CC3 DA-26318 [0,0,0,1,0,0|2,0,1]=4 61 B12R2.252 c1c2c(cn[nH]2)sc1C(=O)O DA-29322 [0,0,0,0,1,0|3,0,0]=4 62 B12R2.252 c1c2cscc2sc1C(=O)O DA-44220 [0,0,0,0,1,0|2,0,0]=3 63 B12R2.252 c1cn2cc(sc2n1)C(=O)O DA-33532 [0,0,0,0,1,0|3,0,0]=4 64 B12R2.252 c1coc2c1sc(c2)C(=O)O DA-45936 [0,0,0,0,1,0|2,0,0]=3 65 B14R2.768 c1ccc2c(c1)cc(s2)CC(=O)O DA-35175 [0,0,0,0,0,1|1,0,0]=2 66 B14R2.768 c1ccn2cc(nc2c1)CC(=O)N DA-33554 [0,0,0,0,0,1|2,0,1]=4 67 B14R2.781 CC(=O)c1ccc2cccnc2c1 DA-35842 [0,0,0,0,0,1|3,0,0]=4 68 B14R2.781 c1cc2c(ccc(n2)C(=O)O)nc1 DA-30169 [0,0,0,0,0,1|1,0,1]=3 69 B14R2.781 c1cc2cc(ccc2nc1)C(=O)Cl DA-36942 [0,0,0,0,0,1|3,0,0]=4 70 B14R2.781 c1cc2cc(ccc2nc1)C(=O)N DA-35938 [0,0,0,0,0,1|3,0,0]=4 71 B14R2.781 c1cc2ccc(cc2nc1)C(=O)Cl DA-35564 [0,0,0,0,0,1|3,0,0]=4 72 B14R2.781 c1ccc2cnc(cc2c1)C(=N)N DA-23478 [0,0,0,0,0,1|2,0,1]=4 73 B14R2.781 c1ccc2cnc(cc2c1)C(=O)Cl DA-23479 [0,0,0,0,0,1|1,0,1]=3 74 B11R1.91 c1c(cncn1)C=CC(=O)O DA-25070 [1,0,1,0,0,0|2,0,0]=4 75 B11R2.10 c1cncc2c1[nH]c(=O)o2 DA-41700 [2,0,0,0,0,0|2,0,0]=4 76 B11R2.10 c1cncc2c1oc(=O)[nH]2 DA-42001 [2,0,0,0,0,0|2,0,0]=4 77 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N DA-23315 [0,1,1,0,0,0|0,0,2]=4 78 B13R1.201 CN(CC(=O)O)c1ccccc1Cl DA-48087 [0,1,1,0,0,0|1,0,1]=4 79 B13R2.26 c1ccc2c(c1)cc(s2)CC=O DA-35176 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.43 CCc1cc2cc(ccc2[nH]1)C DA-26232 [1,1,0,0,0,0|1,0,1]=4 81 B13R2.43 Cc1ccc2c(c1)cc([nH]2)CO DA-37155 [1,1,0,0,0,0|0,0,1]=3 82 B13R2.43 Cc1ccc2nc(cn2c1)C=O DA-35986 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.43 c1c2cc(ncc2[nH]c1C=O)Cl DA-37623 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.43 c1c2cc(ncc2[nH]c1CO)Cl DA-37622 [1,1,0,0,0,0|1,0,1]=4 85 B13R2.43 c1c2cnc(cc2[nH]c1C=O)Br DA-36530 [1,1,0,0,0,0|1,0,0]=3 86 B13R2.43 c1cc(cc2c1cc(s2)CO)Cl DA-36255 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.43 c1cc2c(cc1Br)cc(s2)CO DA-37695 [1,1,0,0,0,0|1,0,1]=4 88 B13R2.43 c1cc2c(cc1Cl)cc([nH]2)CO DA-37624 [1,1,0,0,0,0|0,0,1]=3 89 B13R2.45 Cc1c(nc2n1cccc2)C=O DA-25533 [1,1,0,0,0,0|1,0,1]=4 90 B13R2.45 Cn1c2ccccc2cc1CN DA-29238 [1,1,0,0,0,0|1,0,1]=4 91 B13R2.45 c1ccn2c(c1)nc(c2Br)C=O DA-23924 [1,1,0,0,0,0|1,0,1]=4 92 B13R2.54 c1c[nH]c(=O)c2c1sc(c2)C=O DA-43868 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.54 c1cc2nc(cn2c(c1)Br)C=O DA-37694 [1,1,0,0,0,0|1,0,1]=4 94 B13R2.54 c1cc2nc(cn2c(c1)Cl)C=O DA-37453 [1,1,0,0,0,0|1,0,1]=4 95 B15R2.629 c1ccc2c(c1)c(=O)n(s2)CC(=O)O DA-41287 [0,1,0,0,0,1|2,0,0]=4 96 B15R2.1569 CCC(=O)Nc1[nH]c2ccccc2n1 DA-43519 [0,1,0,0,0,1|2,0,0]=4 97 B15R2.1569 COC(=O)Nc1cn2ccccc2n1 DA-42567 [0,1,0,0,0,1|1,0,1]=4 98 B15R2.627 Cc1c(ccc2c1nccc2)C(=O)O DA-35416 [0,1,0,0,0,1|2,0,0]=4 99 B15R2.627 c1cc2c(=O)c(n[nH]c2nc1)C(=O)O DA-30226 [0,1,0,0,0,1|1,0,0]=3 100 B15R2.627 c1ccc2c(c1)ccc(c2Br)C(=O)O DA-41407 [0,1,0,0,0,1|1,0,0]=3 101 B15R2.627 c1ccn2c(c1)ncc(c2=O)C(=O)O DA-39013 [0,1,0,0,0,1|1,0,1]=4 102 B15R2.984 CC(=O)c1cc2cnccc2[nH]c1=O DA-24378 [0,1,0,0,0,1|2,0,0]=4 103 B15R2.984 Cc1c(cc2cnccc2n1)C(=O)O DA-25963 [0,1,0,0,0,1|1,0,1]=4 104 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)Cl DA-25733 [0,1,0,0,0,1|2,0,0]=4 105 B15R2.984 c1ccc2c(c1)cc(c(=O)s2)C(=O)N DA-25734 [0,1,0,0,0,1|2,0,0]=4 106 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)N DA-24307 [0,1,0,0,0,1|0,0,1]=3 107 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)N)N DA-24309 [0,1,0,0,0,1|2,0,0]=4 108 B15R2.1601 COC(=O)c1ccc2cccnc2n1 DA-46566 [0,1,0,0,0,1|1,0,1]=4 109 B15R2.1601 c1ccc2c(c1)cc(cn2)C(=O)NN DA-42009 [0,1,0,0,0,1|1,0,1]=4 110 B15R2.1601 c1ccc2c(c1)ncc(n2)C(=O)CBr DA-26974 [0,1,0,0,0,1|1,0,1]=4 111 B15R2.7174 Cc1ccc2c(c1)C=C(CO2)C(=O)O DA-36024 [0,1,0,0,0,1|1,0,0]=3 112 B15R2.7180 CC(=O)c1cc2ccc(cc2nc1)Br DA-30752 [0,1,0,0,0,1|1,0,1]=4 113 B15R2.7180 CC(=O)c1ccc2cc(ccc2n1)Br DA-30793 [0,1,0,0,0,1|1,0,1]=4 114 B15R2.7180 Cc1ccc2cc(ccc2c1)C(=O)O DA-36023 [0,1,0,0,0,1|1,0,0]=3 115 B15R2.7180 c1cc(nc2c1cc(cc2)O)C(=O)O DA-36122 [0,1,0,0,0,1|0,0,1]=3 116 B15R2.7180 c1cc2c(cc1F)CC=C(O2)C(=O)O DA-36149 [0,1,0,0,0,1|1,0,0]=3 117 B15R2.7180 c1cc2c(cc1O)CNC(C2)C(=O)O DA-30381 [0,1,0,0,0,1|0,0,2]=4 118 B15R2.61353 CC(=O)c1ccc2cccc(c2n1)O DA-30745 [0,1,0,0,0,1|1,0,1]=4 119 B15R2.1592 CNC(=O)c1cc2ccccc2n1C DA-41952 [0,2,0,0,0,0|1,0,0]=3 120 B15R2.1592 COC(=O)c1c(c2c(s1)cccn2)Br DA-47870 [0,2,0,0,0,0|2,0,0]=4 121 B15R2.1592 COC(=O)c1nc2ccccc2n1N DA-33346 [0,2,0,0,0,0|1,0,0]=3 122 B15R2.4190 CCn1c2ccccc2cc1C(=O)O DA-42897 [0,2,0,0,0,0|0,0,0]=2 123 B15R2.7203 Cc1c(nc2n1cc(cc2)Cl)C(=O)O DA-36967 [0,2,0,0,0,0|1,0,1]=4 124 B15R2.7203 Cc1c2cc(ccc2sc1C(=O)O)O DA-38895 [0,2,0,0,0,0|1,0,0]=3 125 B15R2.9921 Cc1c2ccccc2n(c1C(=O)O)C DA-30256 [0,2,0,0,0,0|0,0,0]=2 126 B15R2.13463 Cc1cccc2c1cc(n2C)C(=O)O DA-30215 [0,2,0,0,0,0|0,0,0]=2 127 B15R2.13629 Cc1c2c(cccc2F)oc1C(=O)O DA-23107 [0,2,0,0,0,0|1,0,0]=3 128 B15R2.13629 c1cc2c(c(c1)Cl)c(c(s2)C(=O)Cl)Cl DA-24761 [0,2,0,0,0,0|2,0,0]=4 129 B15R2.13629 c1cc2c(c(c1)Cl)c(c(s2)C(=O)O)Cl DA-24760 [0,2,0,0,0,0|1,0,0]=3 130 B15R2.14758 Cc1c2ccc(cc2sc1C(=O)O)Cl DA-41753 [0,2,0,0,0,0|1,0,0]=3 131 B15R2.14758 c1cc2c(cc1Br)oc(c2N)C(=O)O DA-24208 [0,2,0,0,0,0|1,0,0]=3 132 B15R2.1356 CCOC(=O)C1Cc2ccccc2N1 DA-33643 [0,2,0,0,0,0|0,0,2]=4 133 B15R2.1356 CCOC(=O)c1cc2ccncc2s1 DA-42355 [0,2,0,0,0,0|2,0,0]=4 134 B15R2.1356 c1ccc2c(c1)cc([nH]2)C(=O)CC#N DA-25475 [0,2,0,0,0,0|1,0,0]=3 135 B15R2.1590 COC(=O)c1cc2c([nH]1)ccc(n2)Cl DA-32339 [0,2,0,0,0,0|1,0,0]=3 136 B15R2.1590 COC(=O)c1cc2cc(cnc2[nH]1)N DA-32374 [0,2,0,0,0,0|1,0,0]=3 137 B15R2.1590 COC(=O)c1cc2cc(ncc2o1)Cl DA-32328 [0,2,0,0,0,0|2,0,0]=4 138 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)O DA-47681 [0,2,0,0,0,0|0,0,0]=2 139 B15R2.1590 Cc1ccc2c(c1)cc(o2)C(=O)CBr DA-26952 [0,2,0,0,0,0|2,0,0]=4 140 B15R2.1590 Cc1ccc2cc([nH]c2c1)C(=O)OC DA-43443 [0,2,0,0,0,0|0,0,0]=2 141 B15R2.1590 c1c2cc([nH]c2ncc1Br)C(=O)NN DA-37920 [0,2,0,0,0,0|2,0,0]=4 142 B15R2.1590 c1cc2c(cc1Cl)cc(o2)C(=O)CBr DA-26954 [0,2,0,0,0,0|2,0,0]=4 143 B15R2.1598 COC(=O)c1cc2c(s1)c(ccn2)Cl DA-40982 [0,2,0,0,0,0|2,0,0]=4 144 B15R2.1598 Cc1cccc2c1cc([nH]2)C(=O)OC DA-45594 [0,2,0,0,0,0|0,0,0]=2 145 B15R2.1102 c1c2cc([nH]c2cc(c1Cl)Cl)C(=O)O DA-38268 [0,2,0,0,0,0|0,0,0]=2 146 B15R2.4834 CCc1ccc2c(c1)cc([nH]2)C(=O)C DA-30833 [0,2,0,0,0,0|1,0,0]=3 147 B15R2.4834 CCc1ccc2cc(sc2c1)C(=O)O DA-36164 [0,2,0,0,0,0|1,0,0]=3 148 B15R2.4834 COc1ccc2cc(oc2c1)C(=O)O DA-36083 [0,2,0,0,0,0|1,0,0]=3 149 B15R2.4834 COc1ccn2c(c1)cc(n2)C(=O)O DA-37170 [0,2,0,0,0,0|1,0,1]=4 150 B15R2.7254 Cc1c(ccc2n1cc(n2)C(=O)O)Br DA-36415 [0,2,0,0,0,0|1,0,1]=4 151 B15R2.7254 Cc1ccc2c(c1C)cc(o2)C(=O)O DA-21951 [0,2,0,0,0,0|1,0,0]=3 152 B15R2.7254 Cc1ccc2cc(oc2c1C)C(=O)O DA-36675 [0,2,0,0,0,0|1,0,0]=3 153 B15R2.7254 c1cc(c(c2c1[nH]c(c2)C(=O)O)F)F DA-21973 [0,2,0,0,0,0|0,0,0]=2 154 B15R2.15633 Cc1cc(c2cc([nH]c2c1)C(=O)O)C DA-21897 [0,2,0,0,0,0|0,0,0]=2 155 B15R2.15633 Cc1cc2c(cc([nH]2)C(=O)O)c(c1)Br DA-39831 [0,2,0,0,0,0|0,0,0]=2 156 B15R2.20824 CC(=O)c1cc2c(o1)cccc2OC DA-30962 [0,2,0,0,0,0|2,0,0]=4 157 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)N DA-26664 [0,0,1,1,0,0|2,0,0]=4 158 B13R2.72 c1ccn2ccc(c2c1)C(=O)O DA-33524 [0,0,1,1,0,0|2,0,0]=4 159 B15R3.2249 c1ccc2c(c1)c3c([nH]2)C(=O)OC3 DA-42614 [0,1,0,1,0,0|0,0,0]=2 160 B11R2.15 c1csc2c1[nH]c(c2)CO DA-39375 [1,0,0,0,1,0|1,0,1]=4 161 B13R2.57 c1cc2cc(cnc2nc1)C=O DA-30134 [1,0,0,0,0,1|1,0,1]=4 162 B15R2.1660 c1ccn2cc(nc2c1)CCC(=O)O DA-33547 [0,0,0,0,0,2|1,0,1]=4 163 B15R2.1668 CC(=O)NC1=NCc2ccccc2N1 DA-41410 [0,0,0,0,0,2|1,0,1]=4