0 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC(c1cccs1)O A2Z00094291 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.7 C[C@@H](c1nccs1)N A2Z00062222 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 c1c(ncs1)C(=O)N A2Z00050185 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.7 c1c(non1)C(=O)O A2Z00050422 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.7 c1cc(sc1)C(=S)N A2Z00038399 [0,0,0,0,0,0|2,1,0]=3 10 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.1 c1cscc1C=O A2Z00050189 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [0,1,0,0,0,0|0,0,0]=1 14 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.11 c1cc(oc1)C(=O)NN A2Z00053062 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.11 c1cc(sc1)C(=O)CCl A2Z00057069 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.11 c1cc(sc1)C(=O)NN A2Z00051543 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.11 c1cc(sc1)C(CN)O A2Z00046545 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.19 CC(C)(c1[nH]ccn1)O A2Z00062359 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.19 c1cc(sc1)S(=O)(=O)Cl A2Z00040063 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.35 Cc1cc(n[nH]1)C(=O)O A2Z00046525 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.35 Cc1cc(ns1)C(=O)O A2Z00050333 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.35 Cc1ncc(s1)C(=O)O A2Z00073992 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 c1([nH]c(nn1)N)C(=O)O A2Z00096022 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.35 c1([nH]nc(n1)N)C(=O)O A2Z00096282 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.35 c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.35 c1c([nH]c(n1)I)[N+](=O)[O-] A2Z00050404 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.35 c1c([nH]nc1O)C(=O)O A2Z00050449 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.35 c1c(n[nH]c1O)C(=O)O A2Z00096273 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.35 c1c(nc(s1)Cl)C(=O)O A2Z00085550 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.35 c1c(nc(s1)N)C(=O)O A2Z00085471 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.41 CC(=O)c1c(ncs1)Br A2Z00050247 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.41 CC(=O)c1nncn1C A2Z00050364 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.41 Cn1c(ccn1)C(=O)O A2Z00096177 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.41 c1csc(c1O)C(=O)N A2Z00061416 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [0,0,0,0,0,1|1,0,0]=2 43 B9R1.6 CC(c1ccccc1)N A2Z00093463 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [0,0,0,0,0,1|1,0,1]=3 45 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.6 c1cnc(cn1)C(=O)O A2Z00085941 [0,0,0,0,0,1|1,0,1]=3 47 B9R1.6 c1cnccc1C(=S)N A2Z00098301 [0,0,0,0,0,1|2,1,0]=4 48 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [0,0,0,0,0,1|2,0,1]=4 49 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [0,0,0,0,0,1|2,0,1]=4 50 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [0,0,0,0,0,1|2,0,0]=3 51 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [0,0,0,0,0,1|2,0,0]=3 52 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.13 c1cn[nH]c1CC(=O)O A2Z00096237 [0,0,0,0,0,1|2,0,0]=3 55 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [1,0,1,0,0,0|1,0,1]=4 56 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [2,0,0,0,0,0|1,0,1]=4 57 B6R1.2 Cc1cscn1 A2Z00097343 [2,0,0,0,0,0|1,0,1]=4 58 B6R1.2 c1c([nH]cn1)N A2Z00050362 [2,0,0,0,0,0|2,0,0]=4 59 B6R1.2 c1cn[nH]c1N A2Z00050166 [2,0,0,0,0,0|2,0,0]=4 60 B6R1.2 c1cnc([nH]1)Cl A2Z00096586 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.1 CCc1cnc([nH]1)S A2Z00085583 [1,1,0,0,0,0|1,0,1]=4 62 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [1,1,0,0,0,0|1,0,1]=4 63 B8R1.1 c1cc(oc1C=O)I A2Z00064077 [1,1,0,0,0,0|1,0,0]=3 64 B8R1.8 c1c([nH]cn1)CCN A2Z00050399 [1,1,0,0,0,0|1,0,1]=4 65 B8R1.8 c1c([nH]cn1)CCN A2Z00096061 [1,1,0,0,0,0|1,0,1]=4 66 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.8 c1cc(sc1)CCO A2Z00095929 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.8 c1cc(sc1)N=C=O A2Z00096018 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.11 Cc1c(ocn1)C=O A2Z00096249 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.11 c1c(c(on1)C=O)Cl A2Z00050343 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [0,1,0,0,0,1|1,0,0]=3 72 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.13 Cc1cnc(cn1)C(=O)N A2Z00096092 [0,1,0,0,0,1|1,0,1]=4 74 B10R1.13 Cc1cnc(cn1)C(=O)O A2Z00096093 [0,1,0,0,0,1|1,0,1]=4 75 B10R1.13 c1c(ncc(n1)Br)C(=O)O A2Z00050258 [0,1,0,0,0,1|1,0,1]=4 76 B10R1.13 c1c(ncc(n1)O)C(=O)O A2Z00096301 [0,1,0,0,0,1|1,0,1]=4 77 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [0,1,0,0,0,1|1,0,0]=3 78 B10R1.13 c1cc(=O)[nH]cc1[N+](=O)[O-] A2Z00069279 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.13 c1cc(=O)[nH]nc1C(=O)O A2Z00083465 [0,1,0,0,0,1|1,0,0]=3 80 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [0,1,0,0,0,1|1,0,1]=4 86 B10R1.13 c1cc(nnc1C(=O)O)Cl A2Z00049654 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.15 c1cc(cnc1)C(=O)CBr A2Z00094983 [0,1,0,0,0,1|0,0,1]=3 88 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [0,1,0,0,0,1|1,0,1]=4 89 B10R1.61 CC(=O)c1ccncc1F A2Z00096478 [0,1,0,0,0,1|1,0,0]=3 90 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.61 c1c(c(ncn1)C(=O)O)Br A2Z00068773 [0,1,0,0,0,1|1,0,1]=4 92 B10R1.61 c1cc(c(=O)[nH]c1)C(=O)O A2Z00085542 [0,1,0,0,0,1|1,0,0]=3 93 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A2Z00050195 [0,1,0,0,0,1|1,0,1]=4 94 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.113 CC(C)c1[nH]c(=O)ccn1 A2Z00094804 [0,1,0,0,0,1|1,0,1]=4 102 B10R1.113 Cc1cc(ccn1)C(=O)O A2Z00096178 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.113 Cc1cc(cnc1)C(=O)O A2Z00096067 [0,1,0,0,0,1|1,0,1]=4 104 B10R1.113 c1c(cncc1N)C(=O)O A2Z00009581 [0,1,0,0,0,1|1,0,1]=4 105 B10R1.113 c1c(nc[nH]c1=O)C(=O)O A2Z00094899 [0,1,0,0,0,1|1,0,1]=4 106 B10R1.113 c1c(ncnc1Cl)C(=O)Cl A2Z00095427 [0,1,0,0,0,1|1,0,1]=4 107 B10R1.113 c1c(ncnc1Cl)C(=O)O A2Z00094900 [0,1,0,0,0,1|1,0,1]=4 108 B10R1.113 c1cc(c[n+](c1)[O-])C(=O)N A2Z00098097 [0,1,0,0,0,1|1,0,1]=4 109 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.113 c1cc(nc(c1)Cl)C(=O)O A2Z00050531 [0,1,0,0,0,1|1,0,1]=4 114 B10R1.113 c1cnc(cc1Br)C(=O)O A2Z00009551 [0,1,0,0,0,1|1,0,1]=4 115 B10R1.113 c1cnc(cc1C(=O)O)Cl A2Z00096019 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.113 c1cnc(cc1C(=O)O)O A2Z00096024 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.113 c1cnc(cc1O)C(=O)O A2Z00009579 [0,1,0,0,0,1|1,0,1]=4 118 B10R1.27 COC(=O)Cc1cc[nH]n1 A2Z00050448 [0,1,0,0,0,1|1,0,1]=4 119 B10R1.27 COC(=O)Cc1cccs1 A2Z00095990 [0,1,0,0,0,1|1,0,0]=3 120 B10R1.27 COC(=O)Cc1cnn[nH]1 A2Z00096567 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.54 Cc1cc(no1)NC(=O)C A2Z00039131 [0,1,0,0,0,1|1,0,1]=4 122 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.54 c1cc(sc1CC(=O)O)Br A2Z00050168 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.11 CCOC(=O)c1cscn1 A2Z00098039 [0,2,0,0,0,0|1,0,1]=4 125 B10R1.11 c1cc([nH]c1)C(=O)CC#N A2Z00095502 [0,2,0,0,0,0|0,0,0]=2 126 B10R1.11 c1cc(sc1)C(=O)CC#N A2Z00073789 [0,2,0,0,0,0|1,0,0]=3 127 B10R1.14 COC(=O)c1[nH]c(nn1)N A2Z00096668 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.14 COC(=O)c1[nH]nc(n1)N A2Z00096669 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.14 COC(=O)c1ccc(o1)Br A2Z00095435 [0,2,0,0,0,0|1,0,0]=3 130 B10R1.14 Cc1cc(n[nH]1)C(=O)OC A2Z00096044 [0,2,0,0,0,0|1,0,1]=4 131 B10R1.14 c1cc(sc1C(=O)CCl)Cl A2Z00094277 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.149 COC(=O)c1c(ccs1)N A2Z00096109 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.149 COC(=O)c1c(ccs1)O A2Z00061415 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.149 Cc1ccsc1C(=O)OC A2Z00095997 [0,2,0,0,0,0|1,0,0]=3 135 B10R1.31 c1c(c[nH]c1C(=O)O)C=O A2Z00096179 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.31 c1cc([nH]c1C=O)C(=O)O A2Z00096160 [0,2,0,0,0,0|1,0,0]=3 137 B10R1.31 c1cc(oc1C#N)C(=O)O A2Z00048029 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.31 c1cc(oc1C=O)C(=O)O A2Z00094670 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.58 c1c(c(sc1C(=O)O)Br)Br A2Z00080716 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.59 CC(=O)c1c(nc(s1)Br)Br A2Z00096206 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.59 Cc1c(sc(n1)C)C(=O)C A2Z00095981 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.59 Cc1c(sc(n1)N)C(=O)C A2Z00062507 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.59 Cc1cc(oc1C(=O)C)C A2Z00096159 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.194 Cn1c(cnc1N)C(=O)O A2Z00069899 [0,2,0,0,0,0|2,0,0]=4 145 B8R1.4 Cc1cc(ccn1)N A2Z00094484 [0,0,1,1,0,0|2,0,0]=4 146 B8R1.4 Cc1cccc(c1)Cl A2Z00093526 [0,0,1,1,0,0|2,0,0]=4 147 B8R1.4 Cc1ccnc(c1)N A2Z00098974 [0,0,1,1,0,0|2,0,0]=4 148 B8R1.4 c1c[nH]c(=O)nc1N A2Z00085537 [0,0,1,1,0,0|2,0,0]=4 149 B8R1.4 c1cc(cc(c1)O)N A2Z00068658 [0,0,1,1,0,0|0,0,2]=4 150 B8R1.4 c1cc(nc(c1)Br)N A2Z00097429 [0,0,1,1,0,0|2,0,0]=4 151 B8R1.4 c1cc(nc(c1)Cl)N A2Z00070321 [0,0,1,1,0,0|2,0,0]=4 152 B8R1.5 C1=CC(=O)C(=O)C=C1 A2Z00049590 [0,0,1,1,0,0|1,0,1]=4 153 B8R1.5 Cc1ccc[nH]c1=O A2Z00097918 [0,0,1,1,0,0|2,0,0]=4 154 B8R1.5 Cc1ccccc1N A2Z00093501 [0,0,1,1,0,0|1,0,0]=3 155 B8R1.5 Cc1cccnc1N A2Z00070216 [0,0,1,1,0,0|2,0,0]=4 156 B8R1.5 c1cc(c(nc1)Cl)N A2Z00080206 [0,0,1,1,0,0|2,0,0]=4 157 B8R1.5 c1ccc(c(c1)N)F A2Z00093504 [0,0,1,1,0,0|1,0,1]=4 158 B8R1.5 c1ccc(c(c1)N)I A2Z00083429 [0,0,1,1,0,0|1,0,1]=4 159 B8R1.2 CCc1ccncc1 A2Z00096081 [1,0,0,0,0,1|1,0,1]=4 160 B8R1.2 COc1cnccn1 A2Z00085431 [1,0,0,0,0,1|1,0,1]=4 161 B8R1.2 CSc1ccccc1 A2Z00096090 [1,0,0,0,0,1|2,0,0]=4 162 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [0,0,0,0,0,2|2,0,0]=4 163 B10R1.66 c1cc([nH]c1)CCC(=O)O A2Z00094982 [0,0,0,0,0,2|1,0,0]=3 164 B10R1.66 c1cc([nH]c1)\C=C\C(=O)O A2Z00094929 [0,0,0,0,0,2|1,0,0]=3 165 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [0,0,0,0,0,2|2,0,0]=4 166 B10R1.66 c1cc(oc1)\C=C\C(=O)Cl A2Z00095952 [0,0,0,0,0,2|2,0,0]=4 167 B10R1.66 c1cc(oc1)\C=C\C(=O)O A2Z00085545 [0,0,0,0,0,2|2,0,0]=4 168 B10R1.66 c1cc(sc1)CCC(=O)O A2Z00095188 [0,0,0,0,0,2|2,0,0]=4 169 B10R1.66 c1cc(sc1)\C=C\C(=O)O A2Z00096656 [0,0,0,0,0,2|2,0,0]=4