0 B11R1.40 CC(Cc1ccccc1)CN A2Z00046432 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 CCNCc1ccccc1 A2Z00093459 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CNCCc1ccncc1 A2Z00061328 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,0,0,0,0,0|1,1,0]=3 14 B12R1.32 COCC(=O)Nc1ccccc1 A2Z00070375 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.32 c1ccc(cc1)NC(=O)CC#N A2Z00097866 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.32 c1ccc(cc1)NC(=O)CCS A2Z00069989 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.34 CCC(=O)N(C)c1ccccc1 A2Z00095184 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.34 COC(=O)C(c1ccccc1)N A2Z00096034 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.43 CC(C)C(Cc1ccccc1)O A2Z00048082 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.49 COC(=O)Cc1ccc(cc1)N A2Z00094801 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.49 Cc1ccc(cc1)NC(=O)CCl A2Z00075121 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.49 Cc1ccc(cc1)NC(=O)CO A2Z00068361 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.49 Cc1ccc(cc1)NC(=O)CS A2Z00029474 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.49 Cc1ccc(cc1)OC(=O)CN A2Z00049394 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.49 c1cc(ccc1NC(=O)CO)F A2Z00068363 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.49 c1cc(ccc1NC(=O)CS)F A2Z00064160 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.50 Cc1cccc(c1)NC(=O)CN A2Z00044975 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.50 Cc1cccc(c1)NC(=O)CO A2Z00068360 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.50 Cc1cccc(c1)NC(=O)CS A2Z00064158 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.50 Cc1cccc(c1)OC(=O)CN A2Z00049393 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.50 c1cc(cc(c1)Br)NC(=O)CCl A2Z00099282 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CO A2Z00068364 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.371 COC(=O)Cc1ccccc1F A2Z00095983 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [0,1,0,0,0,0|0,0,0]=1 35 B12R1.371 Cc1ccccc1OC(=O)CN A2Z00049392 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.18 Cn1c2ccccc2[nH]c1=O A2Z00085448 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,0,1,0,0|2,0,0]=3 40 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.32 CNc1[nH]c2ccccc2n1 A2Z00056900 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.15 c1cc(cnc1)C(=O)CBr A2Z00094983 [0,0,0,0,1,0|3,0,0]=4 44 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [0,0,0,0,1,0|2,0,0]=3 45 B10R1.27 COC(=O)Cc1cc[nH]n1 A2Z00050448 [0,0,0,0,1,0|2,0,0]=3 46 B10R1.27 COC(=O)Cc1cccs1 A2Z00095990 [0,0,0,0,1,0|1,0,0]=2 47 B10R1.27 COC(=O)Cc1cnn[nH]1 A2Z00096567 [0,0,0,0,1,0|3,0,0]=4 48 B12R1.27 COC(=O)CCc1cncnc1 A2Z00096619 [0,0,0,0,0,1|2,0,0]=3 49 B12R1.27 COC(=O)\C=C\c1cncnc1 A2Z00096618 [0,0,0,0,0,1|2,0,1]=4 50 B12R1.27 c1ccc(cc1)CCC(=O)CBr A2Z00094984 [0,0,0,0,0,1|2,0,0]=3 51 B12R1.27 c1ccc(cc1)CNC(=O)CCl A2Z00097817 [0,0,0,0,0,1|2,0,0]=3 52 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [0,0,0,0,0,1|2,0,0]=3 53 B12R1.27 c1ccc(cc1)OCC(=O)NN A2Z00039102 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.8 CNCc1ccccc1 A2Z00093451 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.1 CCCCc1ccc(cc1)N A2Z00038653 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.28 c1ccc(cc1)CNCCO A2Z00065097 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.28 c1ccc(cc1)OCCON A2Z00047939 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.28 c1ccc(cc1)\C=C\CCCl A2Z00049195 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.28 c1ccc(cc1)\C=C\CCN A2Z00048064 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.91 CC(C)NCc1ccccc1 A2Z00093460 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [1,1,0,0,0,0|0,0,0]=2 67 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [1,1,0,0,0,0|0,0,0]=2 69 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [1,1,0,0,0,0|0,0,0]=2 71 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [1,1,0,0,0,0|0,0,0]=2 74 B11R1.157 CC(=O)Nc1ccnc(c1)Cl A2Z00029852 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.157 CC(C)Cc1cccc(c1)N A2Z00048066 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.157 CN(C)Cc1cccc(c1)O A2Z00049745 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl A2Z00095204 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.22 CC(c1ccc(cc1)F)OC A2Z00094924 [0,1,0,0,1,0|1,0,1]=4 80 B11R1.22 CCC(=O)c1ccc(cc1)Br A2Z00094034 [0,1,0,0,1,0|1,0,0]=3 81 B11R1.22 CCC(=O)c1ccc(cc1)F A2Z00094033 [0,1,0,0,1,0|1,0,0]=3 82 B11R1.22 CNC(=O)c1ccc(cc1)Cl A2Z00053054 [0,1,0,0,1,0|1,0,0]=3 83 B11R1.22 COC(=O)c1ccc(nc1)N A2Z00070242 [0,1,0,0,1,0|1,0,0]=3 84 B11R1.22 COC(=O)c1cnc(cn1)Br A2Z00096452 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.22 COC(=O)c1cnc(cn1)Cl A2Z00096393 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.22 COC(=O)c1cnc(cn1)O A2Z00096407 [0,1,0,0,1,0|2,0,0]=4 87 B11R1.22 Cc1cnc(cn1)C(=O)OC A2Z00096105 [0,1,0,0,1,0|2,0,0]=4 88 B11R1.22 c1cc(ccc1C(=O)CBr)Br A2Z00068657 [0,1,0,0,1,0|2,0,0]=4 89 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A2Z00094275 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.22 c1cc(ccc1C(=O)CCl)F A2Z00094272 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.22 c1cc(ccc1C(=O)CN)F A2Z00094016 [0,1,0,0,1,0|2,0,0]=4 92 B11R1.22 c1cc(ccc1C(=O)NN)Br A2Z00014663 [0,1,0,0,1,0|2,0,0]=4 93 B11R1.22 c1cc(ccc1C(=O)NN)F A2Z00014685 [0,1,0,0,1,0|2,0,0]=4 94 B11R1.23 COC(=O)c1cccc(c1)N A2Z00095938 [0,1,0,0,1,0|0,0,0]=2 95 B11R1.23 Cc1cccc(c1)C(=O)NN A2Z00014683 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr A2Z00096150 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN A2Z00096028 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN A2Z00014653 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.23 c1cc(cc(c1)O)C(=O)NN A2Z00014681 [0,1,0,0,1,0|2,0,0]=4 100 B11R1.222 CCC(=O)c1ccccc1Br A2Z00049411 [0,1,0,0,1,0|1,0,0]=3 101 B11R1.222 CNC(=O)c1ccccc1N A2Z00046099 [0,1,0,0,1,0|1,0,0]=3 102 B11R1.222 COC(=O)c1ccccc1Cl A2Z00095996 [0,1,0,0,1,0|0,0,0]=2 103 B11R1.222 COC(=O)c1ccccc1F A2Z00096107 [0,1,0,0,1,0|0,0,0]=2 104 B11R1.222 COC(=O)c1ccccc1N A2Z00096614 [0,1,0,0,1,0|0,0,0]=2 105 B11R1.222 COC(=O)c1ccccc1O A2Z00069275 [0,1,0,0,1,0|0,0,0]=2 106 B11R1.222 COC(=O)c1ccccc1S A2Z00096071 [0,1,0,0,1,0|0,0,0]=2 107 B11R1.222 Cc1ccccc1C(=O)OC A2Z00095993 [0,1,0,0,1,0|0,0,0]=2 108 B11R1.222 c1ccc(c(c1)C(=O)NN)Br A2Z00014686 [0,1,0,0,1,0|2,0,0]=4 109 B11R1.222 c1ccc(c(c1)C(=O)NN)F A2Z00014684 [0,1,0,0,1,0|2,0,0]=4 110 B11R1.222 c1ccc(c(c1)C(=O)NN)N A2Z00097814 [0,1,0,0,1,0|2,0,0]=4 111 B13R1.11 CC(c1ccccc1)NC(=O)CO A2Z00068366 [0,1,0,0,0,1|2,0,0]=4 112 B13R1.11 COC(=O)CC(=O)c1ccccc1 A2Z00049206 [0,1,0,0,0,1|0,0,0]=2 113 B13R1.11 COC(=O)CC(=O)c1ccncc1 A2Z00096048 [0,1,0,0,0,1|1,0,0]=3 114 B13R1.14 COC(=O)\C=C\c1ccc(cc1)O A2Z00098111 [0,1,0,0,0,1|0,0,1]=3 115 B13R1.14 Cc1ccc(cc1)CCC(=O)OC A2Z00096852 [0,1,0,0,0,1|0,0,0]=2 116 B13R1.14 c1cc(ccc1CNC(=O)CN)Cl A2Z00044973 [0,1,0,0,0,1|2,0,0]=4 117 B13R1.42 CCOC(=O)\C=C\c1ccncc1 A2Z00095018 [0,1,0,0,0,1|1,0,1]=4 118 B13R1.135 CC(C(=O)NN)Oc1ccccc1 A2Z00077489 [0,1,0,0,0,1|2,0,0]=4 119 B13R1.135 COC(=O)C(Cc1ccccc1)Br A2Z00047235 [0,1,0,0,0,1|0,0,0]=2 120 B13R1.135 COC(=O)C(Cc1ccccc1)Cl A2Z00048897 [0,1,0,0,0,1|0,0,0]=2 121 B13R1.135 COC(=O)C(Cc1ccccc1)N A2Z00069276 [0,1,0,0,0,1|0,0,0]=2 122 B13R1.528 c1ccc(c(c1)N)SCC(=O)NN A2Z00069987 [0,1,0,0,0,1|2,0,0]=4 123 B13R1.44 c1ccc(cc1)NC(=O)CCCN A2Z00007925 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.348 CS(=CC(=O)Cc1ccccc1)C A2Z00094890 [0,2,0,0,0,0|0,1,0]=3 125 B13R1.21 COC(=O)C(c1ccc(cc1)Cl)O A2Z00094855 [0,2,0,0,0,0|0,0,0]=2 126 B13R1.696 COC(=O)C(c1ccccc1F)Br A2Z00049795 [0,2,0,0,0,0|0,0,0]=2 127 B13R1.708 CC(C)(c1ccccc1)C(=O)OC A2Z00094845 [0,2,0,0,0,0|0,0,0]=2 128 B13R1.202 C[C@@H](C(=O)Nc1ccccc1F)N A2Z00044984 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.418 CC\C(=C/c1ccccc1)\C(=O)O A2Z00046440 [0,2,0,0,0,0|1,0,1]=4 130 B13R1.2872 COC(=O)Cc1cc(ccc1F)Br A2Z00096265 [0,2,0,0,0,0|0,0,0]=2 131 B13R1.2874 COC(=O)Cc1cc(=O)[nH]c(n1)S A2Z00096951 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.91 COc1ccccc1CC(=O)OC A2Z00095984 [0,2,0,0,0,0|0,0,0]=2 133 B13R1.4928 COC(=O)Cc1c(cccc1Cl)F A2Z00094728 [0,2,0,0,0,0|0,0,0]=2 134 B11R1.25 COC(=O)\C=C\c1cccs1 A2Z00096369 [0,0,1,1,0,0|1,0,1]=4 135 B11R1.25 COC(=O)\C=C\c1ccsc1 A2Z00050484 [0,0,1,1,0,0|1,0,1]=4 136 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [1,0,0,1,0,0|0,1,1]=4 137 B11R2.10 Cc1nc2ccccc2s1 A2Z00096101 [1,0,0,1,0,0|1,1,0]=4 138 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [1,0,0,1,0,0|2,0,0]=4 139 B13R2.10 c1ccc(cc1)C2=NNC(=O)C2 A2Z00096113 [0,0,0,1,0,1|2,0,0]=4 140 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [0,0,0,1,0,1|1,0,0]=3 141 B13R2.135 CCN1c2ccccc2CC1=O A2Z00074116 [0,1,0,1,0,0|1,0,0]=3 142 B13R2.135 CCn1c2ccccc2oc1=O A2Z00048030 [0,1,0,1,0,0|2,0,0]=4 143 B13R2.163 c1ccc2c(c1)CCCC(=O)O2 A2Z00096661 [0,1,0,1,0,0|2,0,0]=4 144 B13R2.3085 CN1c2ccccc2C(=O)C1=O A2Z00077108 [0,1,0,1,0,0|1,0,1]=4 145 B13R2.359 CC1(c2ccccc2NC1=O)C A2Z00048073 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [0,1,0,1,0,0|2,0,0]=4 147 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N A2Z00094761 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.3028 CC1c2cc(ccc2NC1=O)Br A2Z00048132 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.3028 CC1c2cc(ccc2NC1=O)N A2Z00047978 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.3028 Cn1c2cc(ccc2oc1=O)N A2Z00046406 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 A2Z00097940 [0,1,0,1,0,0|2,0,0]=4 153 B13R2.5190 Cn1c2ccc(cc2oc1=O)N A2Z00046407 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [1,0,0,0,1,0|1,0,0]=3 155 B9R1.6 CC(c1ccccc1)N A2Z00093463 [1,0,0,0,1,0|1,0,1]=4 156 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [1,0,0,0,1,0|2,0,0]=4 157 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [1,0,0,0,1,0|2,0,0]=4 158 B9R1.6 c1cnc(cn1)C(=O)O A2Z00085941 [1,0,0,0,1,0|2,0,0]=4 159 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [1,0,0,0,1,0|2,0,0]=4 160 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [1,0,0,0,1,0|2,0,0]=4 161 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [1,0,0,0,1,0|1,0,0]=3 162 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [1,0,0,0,1,0|2,0,0]=4 163 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [1,0,0,0,1,0|2,0,0]=4 164 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [1,0,0,0,1,0|1,0,0]=3 165 B9R1.13 c1cn[nH]c1CC(=O)O A2Z00096237 [1,0,0,0,1,0|2,0,0]=4 166 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [0,0,0,0,2,0|1,0,0]=3 167 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [0,0,0,0,2,0|2,0,0]=4 168 B13R1.718 COC(=O)CNCc1ccccc1 A2Z00096124 [0,0,0,0,0,2|0,0,0]=2