0 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A2Z00097921 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCCC(=O)c1ccc(cc1)F A2Z00094271 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.16 CCCC(C)c1ccc(cc1)O A2Z00049608 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.16 CCOC(=O)c1ccc(=O)[nH]n1 A2Z00073873 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.16 CCOC(=O)c1ccc(cc1)F A2Z00094784 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.16 CCOC(=O)c1ccc(cc1)N A2Z00030702 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.16 CCOC(=O)c1cnc(cn1)C A2Z00096117 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.16 c1cc(ccc1C(=O)CCBr)Br A2Z00070059 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.1 CCCCc1ccc(cc1)N A2Z00038653 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.1 c1cc(ccc1N)OCCO A2Z00087180 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.22 CC(c1ccc(cc1)F)OC A2Z00094924 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.22 CCC(=O)c1ccc(cc1)Br A2Z00094034 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.22 CCC(=O)c1ccc(cc1)F A2Z00094033 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.22 CNC(=O)c1ccc(cc1)Cl A2Z00053054 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.22 COC(=O)c1ccc(nc1)N A2Z00070242 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.22 COC(=O)c1cnc(cn1)Br A2Z00096452 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.22 COC(=O)c1cnc(cn1)Cl A2Z00096393 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.22 COC(=O)c1cnc(cn1)O A2Z00096407 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.22 Cc1cnc(cn1)C(=O)OC A2Z00096105 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.22 c1cc(ccc1C(=O)CBr)Br A2Z00068657 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A2Z00094275 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.22 c1cc(ccc1C(=O)CCl)F A2Z00094272 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.22 c1cc(ccc1C(=O)CN)F A2Z00094016 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.22 c1cc(ccc1C(=O)NN)Br A2Z00014663 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.22 c1cc(ccc1C(=O)NN)F A2Z00014685 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.17 CCCOC(=O)c1ccc(cc1)N A2Z00076647 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.21 Cc1ccc(cc1)C(=O)C(C)NC A2Z00070033 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl A2Z00094726 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.132 CC(C)CC(=O)c1ccc(cc1)F A2Z00048095 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O A2Z00083623 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.132 CC(C)OC(=O)c1ccc(cc1)N A2Z00074999 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O A2Z00094931 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.1511 CCCC(=O)c1ccc(cc1C)C A2Z00069819 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)Cl A2Z00069820 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.12 c1cc(ccc1C2=NCCN2)Cl A2Z00097540 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.12 c1cc(ccc1C2=NCCN2)N A2Z00062311 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.520 Cc1ccc(cc1)C(=O)C2CC2 A2Z00094000 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.520 c1cc(ccc1C(=O)C2CC2)F A2Z00094001 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.520 c1cc(ccc1C(=O)C2CC2)N A2Z00049976 [0,0,0,1,0,0|1,0,0]=2 39 B13R2.5187 c1cc2c(cc1N)C(=O)NC2=O A2Z00095900 [0,0,0,1,0,0|2,0,1]=4 40 B11R1.15 CCOC(=O)c1c[nH]c(n1)S A2Z00098127 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.15 CCOC(=O)c1cc(=O)[nH][nH]1 A2Z00050490 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.15 CCOC(=O)c1cc([nH]n1)O A2Z00096480 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.15 CCOC(=O)c1cc(n[nH]1)O A2Z00050491 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.15 CCOC(=O)c1csc(n1)N A2Z00097901 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.15 CCOC(=O)c1ncc(o1)C A2Z00096335 [0,0,0,0,1,0|3,0,0]=4 46 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.1 CCOc1ccc(cc1)N A2Z00069288 [2,0,0,0,0,0|0,0,0]=2 48 B10R1.17 CCNCc1ccccc1 A2Z00093459 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.15 c1cc(cnc1)C(=O)CBr A2Z00094983 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.13 CC(C)c1ccc(cc1)N A2Z00038646 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.13 c1cc(ccc1C(=N)N)N A2Z00050462 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [2,0,0,0,0,0|0,0,0]=2 61 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.30 c1ccc(cc1)C(=O)CCCCl A2Z00094306 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.30 c1ccc(cc1)C(=O)NCCN A2Z00047087 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.34 CCC(C(=O)c1ccccc1)N A2Z00048079 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.107 CC(=O)CC(=O)c1ccccc1 A2Z00094722 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.107 CN(C)CC(=O)c1ccccc1 A2Z00074274 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.308 CCCC(=O)c1ccccc1F A2Z00048886 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.308 CCOC(=O)c1ccccc1C A2Z00098049 [1,1,0,0,0,0|0,0,0]=2 69 B12R1.308 CCOC(=O)c1ccccc1N A2Z00093475 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.308 CCOC(=O)c1cccnc1N A2Z00061520 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.5 CCC(=O)c1ccc(cc1)OC A2Z00094035 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.5 CCc1ccc(cc1)C(=O)CCl A2Z00094268 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.5 COC(=O)c1ccc(cc1)CN A2Z00069064 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.5 COC(=O)c1ccc(cc1)CN A2Z00096145 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.5 COC(=O)c1ccc(nc1)C#N A2Z00096192 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.5 COC(=O)c1ccc(nc1)CN A2Z00096464 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.5 COc1ccc(cc1)C(=O)CCl A2Z00094274 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Br A2Z00049455 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.20 CC(=O)C(=O)c1ccc(cc1)F A2Z00049436 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl A2Z00046355 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.20 CC(C)C(=O)c1ccc(cc1)F A2Z00046354 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.20 CN(C)C(=O)c1ccc(cc1)O A2Z00034159 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br A2Z00070053 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)Cl A2Z00049894 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.367 CCC(=O)c1ccc(c(c1)C)C A2Z00068482 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl A2Z00094243 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.367 COC(=O)c1ccc(c(c1)O)N A2Z00069834 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.367 Cc1ccc(cc1C)C(=O)CCl A2Z00094276 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.367 c1cc(c(cc1C(=O)CCl)F)F A2Z00094496 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.1703 CCC(=O)c1ccc(cc1F)F A2Z00050173 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.1703 COC(=O)c1ccc(cc1O)O A2Z00077106 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.1703 COC(=O)c1cnc(cc1N)Cl A2Z00096459 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CCl A2Z00048050 [1,1,0,0,0,0|2,0,0]=4 94 B14R1.35 CCOC(=O)C(=O)c1ccc(cc1)Cl A2Z00094576 [0,1,0,0,0,1|1,0,0]=3 95 B14R1.35 CCOC(=O)C(=O)c1ccc(cc1)F A2Z00095973 [0,1,0,0,0,1|1,0,0]=3 96 B14R1.19 COCCOC(=O)c1ccc(cc1)N A2Z00056849 [0,2,0,0,0,0|0,0,0]=2 97 B14R1.926 COc1ccc(cc1)C(=O)CCCCl A2Z00094273 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.1003 CCC(C(=O)c1ccc(c(c1)O)O)Br A2Z00095497 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.2819 CCC(C(=O)c1ccc(cc1C)C)Br A2Z00070058 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.25 CCOC(=O)c1ccc(cc1)CC#N A2Z00069880 [0,2,0,0,0,0|0,0,1]=3 101 B12R2.24 c1cc2c(cc1N)CCCN2 A2Z00047925 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.132 Cn1c2cc(ccc2cn1)N A2Z00061488 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 A2Z00094292 [1,0,0,1,0,0|2,0,0]=4 104 B14R2.926 c1cc(ccc1N)N2CCOC2=O A2Z00094493 [0,0,0,1,0,1|0,0,0]=2 105 B14R2.949 c1cc(ccc1NC(=O)C2CC2)I A2Z00079875 [0,0,0,1,0,1|2,0,0]=4 106 B14R2.10606 c1cc(ccc1C(=O)C2CCC2)Cl A2Z00094213 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.29369 CN1CCc2cc(ccc2C1=O)F A2Z00095476 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.329 COc1ccc(cc1)C(=O)C2CC2 A2Z00046258 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.954 Cc1cc(ccc1F)C(=O)C2CC2 A2Z00094002 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.28472 Cc1cc2c(cc1C)C(=O)CCC2 A2Z00095035 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.11 CCOC(=O)c1cscn1 A2Z00098039 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.14 COC(=O)c1ccc(o1)Br A2Z00095435 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.32 COCC(=O)Nc1ccccc1 A2Z00070375 [1,0,0,0,0,1|2,0,0]=4 114 B12R1.32 c1ccc(cc1)NC(=O)CCS A2Z00069989 [1,0,0,0,0,1|2,0,0]=4 115 B14R1.502 CCOC(=O)\C=C\c1ccc(nc1)N A2Z00097667 [0,0,0,0,0,2|1,0,0]=3