0 B10R1.15 CC(C#N)c1ccccc1 A2Z00070459 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 CC(CN)c1ccccn1 A2Z00062148 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.6 CC(c1ccccc1)N A2Z00093463 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 CNCc1ccccc1 A2Z00093451 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 c1ccnc(c1)CC#N A2Z00097354 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.7 CC(C)(C#N)c1ccccc1 A2Z00094743 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.7 CC(C)(CCl)c1ccccc1 A2Z00094297 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.7 CC(C)(CN)c1ccccc1 A2Z00061567 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.7 CC(C)(CN)c1ccccn1 A2Z00061739 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.7 CC(C)(CO)c1ccccc1 A2Z00094293 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.7 CC(CN)(c1ccccc1)O A2Z00046564 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.7 CCC(C)(c1ccccc1)N A2Z00050519 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.7 CCC(C)(c1ccccc1)N A2Z00070461 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.12 CNC(C#N)c1cccnc1 A2Z00095154 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.16 CC(CCN)c1ccccc1 A2Z00046307 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.22 CC(c1ccc(cc1)F)OC A2Z00094924 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.22 Cc1ccc(cc1)C(C#N)N A2Z00047031 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.22 Cc1ccc(cc1)C(C)CO A2Z00049179 [0,1,0,0,0,0|0,0,2]=3 28 B11R1.22 c1cc(ccc1C(C#N)N)Cl A2Z00047033 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.22 c1cc(ccc1C(CN)O)Br A2Z00094730 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 c1cc(ccc1C(CN)O)Cl A2Z00046547 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.23 c1cc(cc(c1)Br)C(CO)N A2Z00049261 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.23 c1cc(cc(c1)Cl)C(CN)O A2Z00094086 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,1,0,0,0,0|1,0,0]=2 36 B11R2.1 Cn1ccc2c1cccn2 A2Z00096708 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.40 c1ccc(cc1)C2(CC2)N A2Z00061568 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.40 CC(CN)Oc1ccccc1 A2Z00038576 [0,0,0,0,0,1|1,0,1]=3 39 B11R1.40 CC(Cc1ccccc1)CN A2Z00046432 [0,0,0,0,0,1|1,0,1]=3 40 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,0,0,0,0,1|0,0,1]=2 41 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [0,0,0,0,0,1|1,0,2]=4 42 B8R1.2 CCc1ccncc1 A2Z00096081 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.2 CSc1ccccc1 A2Z00096090 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.2 c1cc(cnc1)CN A2Z00093433 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 c1ccc(cc1)CN A2Z00095042 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [1,1,0,0,0,0|0,0,1]=3 47 B10R1.13 CC(C)c1ccc(cc1)N A2Z00038646 [1,1,0,0,0,0|0,0,1]=3 48 B10R1.13 CC(C)c1ccc(cc1)O A2Z00093536 [1,1,0,0,0,0|0,0,1]=3 49 B10R1.13 CC(c1ccc(cc1)F)Cl A2Z00094295 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.13 CN(C)c1ccc(cc1)Br A2Z00097376 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.13 CN(c1ccc(cc1)F)N A2Z00049175 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.13 c1cc(ccc1S(=O)Cl)Cl A2Z00049702 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A2Z00093555 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.28 CC(C)(c1ccncc1)O A2Z00094997 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.61 CC(=O)c1ccncc1F A2Z00096478 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.61 CC(C)c1ccccc1N A2Z00038647 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.61 CC(C)c1ccccc1O A2Z00093538 [1,1,0,0,0,0|0,0,1]=3 64 B10R1.61 CC(c1ccncc1F)O A2Z00050485 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.61 CN(C)c1ccccc1Br A2Z00062284 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A2Z00093554 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A2Z00034985 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [1,1,0,0,0,0|0,0,1]=3 76 B10R1.113 CC(C)c1cccc(c1)O A2Z00093539 [1,1,0,0,0,0|0,0,1]=3 77 B10R1.113 CN(C)c1cccc(c1)Br A2Z00097362 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.113 CN(C)c1cccc(c1)N A2Z00061693 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] A2Z00097373 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.1 c1cc(ccc1CC#N)Cl A2Z00038621 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.1 c1cc(ccc1CC#N)F A2Z00095964 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.1 c1cc(ccc1CCN)F A2Z00093996 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.1 c1cc(ccc1CCN)O A2Z00038672 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.1 c1cc(ccc1CCO)Br A2Z00098377 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.10 CNCc1cccc(c1)O A2Z00038697 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.10 Cc1cccc(c1)CCN A2Z00046191 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.10 c1cc(cc(c1)Cl)CCN A2Z00093997 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.17 CCNCc1ccccc1 A2Z00093459 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [1,1,0,0,0,0|0,0,2]=4 103 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [1,1,0,0,0,0|0,1,1]=4 104 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [1,1,0,0,0,0|0,0,1]=3 105 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,1,0,0,0,0|0,0,0]=2 106 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,1,0,0,0,0|0,1,0]=3 107 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [0,1,0,0,0,1|0,0,0]=2 108 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,1,0,0,0,1|0,0,1]=3 109 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [0,1,0,0,0,1|1,0,0]=3 110 B12R1.194 CC(C)(C#N)Nc1ccccc1 A2Z00016789 [0,1,0,0,0,1|1,0,1]=4 111 B12R1.194 CC(C)(Cc1ccccc1)C#N A2Z00070041 [0,1,0,0,0,1|1,0,1]=4 112 B12R1.9 CC(C#N)(c1ccc(cc1)Br)N A2Z00049454 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.9 CC(C)(C#N)c1ccc(cc1)Cl A2Z00097423 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.9 CC(C)(CN)c1ccc(cc1)Cl A2Z00061580 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.9 CC(C)(CN)c1ccc(cc1)F A2Z00094091 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.9 CC(CN)(c1ccc(cc1)Br)O A2Z00046567 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.9 CC(CN)(c1ccc(cc1)Cl)O A2Z00046566 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.9 CC(CN)(c1ccc(cc1)F)O A2Z00046565 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.9 CCC(C)(C)c1ccc(cc1)O A2Z00093560 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.10 CC(C)(CN)c1cccc(c1)Cl A2Z00061545 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.39 CC(C)(CNC)c1ccccc1 A2Z00049189 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.39 CC(C)(c1ccccc1)N=C=O A2Z00049187 [0,2,0,0,0,0|0,0,1]=3 123 B12R1.195 CC(C)(CN)c1ccccc1F A2Z00061607 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.253 CC(C)(c1ccccc1)C(=O)O A2Z00095299 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.3 c1ccc(cc1)C(CCO)CN A2Z00049191 [0,2,0,0,0,0|0,0,2]=4 126 B12R1.12 CCC(CC)c1ccc(cc1)O A2Z00049609 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.13 CNC(C#N)c1cccc(c1)Br A2Z00047034 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.478 CC(C)C(C=O)c1ccccc1 A2Z00048076 [0,2,0,0,0,0|0,0,0]=2 129 B12R1.478 CN(C)C(C#N)c1ccccc1 A2Z00083445 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.478 CN(C)C(CN)c1ccccc1 A2Z00039161 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.16 CC(CCBr)c1ccc(cc1)F A2Z00049276 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.16 CC(CCN)c1ccc(cc1)Cl A2Z00046308 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.16 CC(CCO)c1ccc(cc1)Br A2Z00049275 [0,2,0,0,0,0|0,0,2]=4 134 B12R1.16 CC(CCO)c1ccc(cc1)F A2Z00094633 [0,2,0,0,0,0|0,0,2]=4 135 B12R1.16 CC(c1ccc(cc1)F)N=C=O A2Z00046537 [0,2,0,0,0,0|0,0,1]=3 136 B12R1.16 CCCC(C)c1ccc(cc1)O A2Z00049608 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.107 CC(=O)CC(=O)c1ccccc1 A2Z00094722 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.107 CC(CC(=O)O)c1ccccc1 A2Z00094013 [0,2,0,0,0,0|0,0,0]=2 139 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 A2Z00046260 [0,2,0,0,0,0|0,0,1]=3 140 B12R1.5 CCC(C)c1ccc(cc1)C#N A2Z00049185 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.20 C=C(c1ccc(cc1)Cl)C(=O)O A2Z00062149 [0,2,0,0,0,0|0,0,2]=4 142 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Br A2Z00049455 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.20 CC(=O)C(=O)c1ccc(cc1)F A2Z00049436 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.20 CC(=O)N(C)c1ccc(cc1)O A2Z00068350 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.20 CC(c1ccc(cc1)Br)C(=O)O A2Z00047901 [0,2,0,0,0,0|0,0,0]=2 146 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O A2Z00094214 [0,2,0,0,0,0|0,0,0]=2 147 B12R1.20 c1cc(ccc1C(C(=O)O)Cl)Cl A2Z00049239 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.77 CC(CO)c1ccccc1OC A2Z00049193 [0,2,0,0,0,0|0,0,2]=4 149 B10R2.6 c1ccc(cc1)C2CN2 A2Z00049782 [1,0,0,1,0,0|1,0,0]=3 150 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [0,0,0,1,0,1|1,0,1]=4 151 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [0,0,0,1,0,1|1,0,1]=4 152 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,0,0,1,0,1|1,0,1]=4 153 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [0,0,0,1,0,1|1,0,1]=4 154 B12R2.32 c1ccc2c(c1)cc(o2)C=O A2Z00095921 [0,0,0,1,0,1|0,0,2]=4 155 B12R2.48 c1ccc(cc1)C2(CC2)CN A2Z00061422 [0,1,0,1,0,0|1,0,1]=4 156 B12R2.116 CC1(CNC1)c2ccccc2 A2Z00049697 [0,1,0,1,0,0|1,0,1]=4 157 B12R2.2403 CC1(CNc2c1cccc2)C A2Z00049178 [0,1,0,1,0,0|1,0,1]=4 158 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A2Z00046648 [0,1,0,1,0,0|0,0,2]=4 159 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN A2Z00044917 [0,1,0,1,0,0|1,0,1]=4 160 B12R2.2 c1ccc(cc1)C2CCCN2 A2Z00095924 [0,1,0,1,0,0|1,0,1]=4 161 B12R2.196 Cn1ccc2c1cccc2N A2Z00087603 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [1,0,0,0,1,0|1,0,1]=4 163 B8R1.7 CC(c1cccs1)O A2Z00094291 [1,0,0,0,1,0|1,0,1]=4