0 B11R1.40 CC(CN)Oc1ccccc1 A2Z00038576 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 CC(Cc1ccccc1)CN A2Z00046432 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [1,0,0,0,0,0|0,0,0]=1 7 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,0,0,0,0,0|1,1,1]=4 9 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [0,1,0,0,0,0|0,0,2]=3 10 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,1,0,0,0,0|0,0,0]=1 11 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [0,1,0,0,0,0|1,0,2]=4 12 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O A2Z00047055 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [0,0,0,1,0,0|2,0,0]=3 14 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.24 Cc1ccc2c(c1)nccn2 A2Z00096306 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00062458 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00074308 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.24 c1cc2cc(ccc2nc1)O A2Z00094828 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 A2Z00096231 [0,0,0,1,0,0|2,0,0]=3 21 B12R2.32 c1ccc2c(c1)cc(o2)C=O A2Z00095921 [0,0,0,1,0,0|1,0,0]=2 22 B12R2.32 c1ccc2c(c1)cc(o2)CCl A2Z00096052 [0,0,0,1,0,0|2,0,1]=4 23 B12R2.32 c1ccc2c(c1)cc(o2)CN A2Z00096017 [0,0,0,1,0,0|2,0,1]=4 24 B12R2.32 c1ccc2c(c1)cc(o2)CO A2Z00096099 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.15 CC(C#N)c1ccccc1 A2Z00070459 [0,0,0,0,1,0|1,0,2]=4 26 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [0,0,0,0,1,0|1,0,2]=4 27 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [0,0,0,0,1,0|1,0,0]=2 28 B9R1.8 CNCc1ccccc1 A2Z00093451 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.28 c1ccc(cc1)\C=C\CCCl A2Z00049195 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.28 c1ccc(cc1)\C=C\CCN A2Z00048064 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.91 c1cc(cnc1)\C=C\[N+](=O)[O-] A2Z00049852 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.91 c1cnccc1\C=C\C(=O)O A2Z00094281 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.91 c1cnccc1\C=C\[N+](=O)[O-] A2Z00095132 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [1,1,0,0,0,0|0,0,1]=3 36 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [1,1,0,0,0,0|0,0,1]=3 38 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [1,1,0,0,0,0|0,0,1]=3 43 B11R1.157 CC(=O)Nc1ccnc(c1)Cl A2Z00029852 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.35 C\C(=C/c1cccs1)\C(=O)O A2Z00046433 [0,1,0,0,1,0|1,0,0]=3 46 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)Cl A2Z00038324 [0,2,0,0,0,0|1,0,1]=4 47 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)O A2Z00093599 [0,2,0,0,0,0|1,0,1]=4 48 B13R1.133 CC(Cc1ccc(cc1)Cl)C(=O)O A2Z00046444 [0,2,0,0,0,0|0,0,2]=4 49 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)Cl A2Z00046445 [0,2,0,0,0,0|0,0,2]=4 50 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)O A2Z00046443 [0,2,0,0,0,0|0,0,2]=4 51 B13R1.133 C\C(=C/c1ccc(cc1)Br)\[N+](=O)[O-] A2Z00050175 [0,2,0,0,0,0|1,0,0]=3 52 B13R1.133 C\C(=C/c1ccc(cc1)Cl)\C(=O)O A2Z00046437 [0,2,0,0,0,0|0,0,0]=2 53 B13R1.133 C\C(=C/c1ccc(cc1)Cl)\[N+](=O)[O-] A2Z00096854 [0,2,0,0,0,0|1,0,0]=3 54 B13R1.133 C\C(=C/c1ccc(cc1)F)\C(=O)O A2Z00094053 [0,2,0,0,0,0|0,0,0]=2 55 B13R1.148 C\C(=C/c1cccc(c1)Cl)\C(=O)O A2Z00046436 [0,2,0,0,0,0|0,0,0]=2 56 B13R1.148 Cc1cccc(c1)\C=C(\C)/[N+](=O)[O-] A2Z00095493 [0,2,0,0,0,0|1,0,0]=3 57 B13R1.202 CC(Cc1ccccc1F)C(=O)O A2Z00046442 [0,2,0,0,0,0|0,0,2]=4 58 B13R1.202 C\C(=C/c1ccccc1Cl)\C(=O)O A2Z00046435 [0,2,0,0,0,0|0,0,0]=2 59 B13R1.202 C\C(=C/c1ccccc1F)\C(=O)O A2Z00094052 [0,2,0,0,0,0|0,0,0]=2 60 B13R1.418 CC\C(=C/c1ccccc1)\C(=O)O A2Z00046440 [0,2,0,0,0,0|0,0,0]=2 61 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)O A2Z00034698 [0,2,0,0,0,0|0,0,1]=3 62 B13R1.1073 CC(C)(C(=O)O)Sc1ccccc1 A2Z00038520 [0,2,0,0,0,0|1,0,1]=4 63 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)O A2Z00069866 [0,2,0,0,0,0|0,0,2]=4 64 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [1,0,0,1,0,0|0,1,0]=3 65 B11R2.10 Cc1cc2ccccn2c1 A2Z00050436 [1,0,0,1,0,0|1,0,0]=3 66 B11R2.10 Cc1nc2ccccc2s1 A2Z00096101 [1,0,0,1,0,0|1,1,0]=4 67 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [0,0,0,1,1,0|2,0,0]=4 68 B13R2.10 Cc1cc(c[nH]1)c2ccccc2 A2Z00050427 [0,0,0,1,0,1|2,0,0]=4 69 B13R2.10 Cc1ccc([nH]1)c2ccccc2 A2Z00049182 [0,0,0,1,0,1|1,0,0]=3 70 B13R2.10 c1ccc(cc1)n2cc(cn2)Br A2Z00097372 [0,0,0,1,0,1|2,0,0]=4 71 B13R2.32 c1ccc2c(c1)ccc(c2Br)N A2Z00049633 [0,0,0,1,0,1|2,0,0]=4 72 B13R2.57 c1cc2cc(ccc2nc1)C=O A2Z00097499 [0,0,0,1,0,1|1,0,1]=4 73 B13R2.57 c1ccc2c(c1)ccc(n2)C=O A2Z00097491 [0,0,0,1,0,1|1,0,0]=3 74 B13R2.135 Cc1c(c2ccccc2[nH]1)C=O A2Z00098831 [0,1,0,1,0,0|1,0,0]=3 75 B13R2.135 Cc1c(c2ccccc2s1)C=O A2Z00049753 [0,1,0,1,0,0|1,0,0]=3 76 B13R2.135 Cc1cc2ccccn2c1C=O A2Z00049666 [0,1,0,1,0,0|1,0,0]=3 77 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 A2Z00097492 [0,1,0,1,0,0|1,0,0]=3 78 B13R2.328 Cc1cc(=O)n2ccccc2n1 A2Z00061405 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.328 Cc1nc2ccccc2c(n1)O A2Z00097770 [0,1,0,1,0,0|1,0,1]=4 80 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 A2Z00061300 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=S)[nH]2 A2Z00056915 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.3085 CN1c2ccccc2C(=O)C1=O A2Z00077108 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.3085 Cc1c(c2ccccc2n1C)Br A2Z00056954 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [0,1,0,1,0,0|1,0,1]=4 85 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,1,0,1,0,0|0,0,0]=2 86 B13R2.369 Cc1cc2ccccc2nc1Cl A2Z00095300 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.423 c1ccc(cc1)C2CC2C(=O)O A2Z00048075 [0,1,0,1,0,0|0,0,2]=4 88 B13R2.435 CC(=O)c1cc2ccccc2o1 A2Z00097864 [0,1,0,1,0,0|1,0,0]=3 89 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 A2Z00096437 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A2Z00080071 [0,1,0,1,0,0|1,0,0]=3 91 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)N A2Z00009577 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.43 Cc1ccc2cc(oc2c1)C=O A2Z00050165 [0,1,0,1,0,0|1,0,0]=3 93 B13R2.43 c1cc(cc2c1cc([nH]2)C=O)F A2Z00050318 [0,1,0,1,0,0|1,0,0]=3 94 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A2Z00097333 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A2Z00030680 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.155 Cc1ccc2ccc(=O)oc2c1 A2Z00096333 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O A2Z00094242 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.12 c1cc([nH]c1)\C=C\C=O A2Z00094927 [1,0,0,0,1,0|1,0,0]=3 99 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [1,0,0,0,1,0|1,0,0]=3 100 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [1,0,0,0,1,0|1,0,0]=3 101 B9R1.6 CC(c1ccccc1)N A2Z00093463 [1,0,0,0,1,0|1,0,1]=4 102 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [1,0,0,0,1,0|2,0,0]=4 103 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [1,0,0,0,1,0|2,0,0]=4