0 B9R1.35 C1C(=NNC1=O)C(=O)O A2Z00050178 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [0,0,0,0,0,0|1,2,0]=3 2 B9R1.35 Cc1cc(n[nH]1)C(=O)O A2Z00046525 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 Cc1cc(ns1)C(=O)O A2Z00050333 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.35 Cc1ncc(s1)C(=O)O A2Z00073992 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 c1([nH]c(nn1)N)C(=O)O A2Z00096022 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 c1([nH]nc(n1)N)C(=O)O A2Z00096282 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 c1(nc([nH]n1)N)C(=O)O A2Z00096349 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 c1c([nH]nc1O)C(=O)O A2Z00050449 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 c1c(n[nH]c1O)C(=O)O A2Z00096273 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 c1c(nc(s1)Cl)C(=O)O A2Z00085550 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 c1c(nc(s1)N)C(=O)O A2Z00085471 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 c1c(sc(n1)N)[N+](=O)[O-] A2Z00097339 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [0,0,0,0,0,0|0,2,0]=2 16 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [0,0,0,0,0,0|0,0,0]=0 17 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.1 c1cc(oc1C=O)I A2Z00064077 [1,0,0,0,0,0|0,2,0]=3 19 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 CC(c1cccs1)O A2Z00094291 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.7 c1c(ncs1)C(=O)N A2Z00050185 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 c1c(non1)C(=O)O A2Z00050422 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [1,0,0,0,0,0|0,1,0]=2 27 B8R1.7 c1cc(sc1)C(=S)N A2Z00038399 [1,0,0,0,0,0|1,1,0]=3 28 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [1,0,0,0,0,0|1,1,0]=3 29 B10R1.14 COC(=O)c1ccc(o1)Br A2Z00095435 [0,1,0,0,0,0|0,2,0]=3 30 B10R1.14 c1cc(sc1C(=O)CCl)Cl A2Z00094277 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.31 c1c(c[nH]c1C(=O)O)C=O A2Z00096179 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.31 c1c(nc(s1)CN)C(=O)O A2Z00061615 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.31 c1cc([nH]c1C=O)C(=O)O A2Z00096160 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.31 c1cc(oc1C#N)C(=O)O A2Z00048029 [0,1,0,0,0,0|1,1,0]=3 35 B10R1.31 c1cc(oc1C=O)C(=O)O A2Z00094670 [0,1,0,0,0,0|1,1,0]=3 36 B10R1.55 Cc1ccc(s1)S(=O)(=O)Cl A2Z00040017 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.55 c1cc(sc1S(=O)(=O)Cl)Br A2Z00044967 [0,1,0,0,0,0|1,1,1]=4 38 B10R1.55 c1cc(sc1S(=O)(=O)Cl)Cl A2Z00041380 [0,1,0,0,0,0|1,0,1]=3 39 B10R1.58 c1c(c(sc1C(=O)O)Br)Br A2Z00080716 [0,1,0,0,0,0|0,1,0]=2 40 B10R1.59 CC(=O)c1c(nc(s1)Br)Br A2Z00096206 [0,1,0,0,0,0|2,1,0]=4 41 B10R1.59 Cc1c(oc(n1)C)C(=O)O A2Z00087560 [0,1,0,0,0,0|2,1,0]=4 42 B10R1.59 Cc1c(sc(=O)[nH]1)C(=O)O A2Z00069308 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.59 Cc1c(sc(n1)C)C(=O)C A2Z00095981 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.59 Cc1c(sc(n1)C)C(=O)O A2Z00087546 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.59 Cc1c(sc(n1)N)C(=O)C A2Z00062507 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.59 Cc1cc(oc1C(=O)C)C A2Z00096159 [0,1,0,0,0,0|2,1,0]=4 47 B10R1.194 Cn1c(cnc1N)C(=O)O A2Z00069899 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.13 Cc1cnc(cn1)C(=O)O A2Z00096093 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.13 c1c(ncc(n1)Br)C(=O)O A2Z00050258 [0,0,0,0,0,1|2,1,0]=4 52 B10R1.13 c1c(ncc(n1)O)C(=O)O A2Z00096301 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.13 c1cc(=O)[nH]nc1C(=O)O A2Z00083465 [0,0,0,0,0,1|2,0,0]=3 55 B10R1.13 c1cc(ccc1C(=N)N)Cl A2Z00098490 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [0,0,0,0,0,1|2,1,0]=4 57 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [0,0,0,0,0,1|1,1,0]=3 59 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [0,0,0,0,0,1|1,1,0]=3 60 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.13 c1cc(ccc1C(=S)N)Cl A2Z00038403 [0,0,0,0,0,1|2,1,0]=4 62 B10R1.13 c1cc(ccc1S(=O)Cl)Cl A2Z00049702 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A2Z00093555 [0,0,0,0,0,1|2,0,1]=4 64 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [0,0,0,0,0,1|1,0,0]=2 65 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl A2Z00066910 [0,0,0,0,0,1|2,0,1]=4 66 B10R1.13 c1cc(nnc1C(=O)O)Cl A2Z00049654 [0,0,0,0,0,1|1,0,0]=2 67 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [0,0,0,0,0,1|1,1,0]=3 68 B10R1.54 Cc1nc(co1)CC(=O)O A2Z00049434 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.54 Cc1nnc(s1)CC(=O)O A2Z00049747 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.54 c1cc(sc1CC(=O)O)Br A2Z00050168 [0,0,0,0,0,1|0,1,0]=2 71 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.113 Cc1cc(ccn1)C(=O)O A2Z00096178 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.113 Cc1cc(cnc1)C(=O)O A2Z00096067 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.113 c1c(cncc1N)C(=O)O A2Z00009581 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.113 c1c(nc[nH]c1=O)C(=O)O A2Z00094899 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.113 c1c(ncnc1Cl)C(=O)Cl A2Z00095427 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.113 c1c(ncnc1Cl)C(=O)O A2Z00094900 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [0,0,0,0,0,1|2,0,0]=3 80 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [0,0,0,0,0,1|1,1,0]=3 81 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [0,0,0,0,0,1|2,0,0]=3 82 B10R1.113 c1cc(nc(c1)Cl)C(=O)O A2Z00050531 [0,0,0,0,0,1|1,0,0]=2 83 B10R1.113 c1cnc(cc1Br)C(=O)O A2Z00009551 [0,0,0,0,0,1|1,1,0]=3 84 B10R1.113 c1cnc(cc1C(=O)O)Cl A2Z00096019 [0,0,0,0,0,1|1,0,0]=2 85 B10R1.113 c1cnc(cc1C(=O)O)O A2Z00096024 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.113 c1cnc(cc1O)C(=O)O A2Z00009579 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl A2Z00029855 [0,0,0,0,0,1|2,0,1]=4 88 B7R0.4 C=CCSCC(=O)O A2Z00097871 [1,0,1,0,0,0|0,0,2]=4 89 B7R1.1 c1cscc1C=O A2Z00050189 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.2 c1cc(sc1Cl)Cl A2Z00097497 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [1,1,0,0,0,0|1,0,0]=3 92 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [1,1,0,0,0,0|1,1,0]=4 93 B9R1.11 c1cc(oc1)C(=O)NN A2Z00053062 [1,1,0,0,0,0|1,1,0]=4 94 B9R1.11 c1cc(sc1)C(=O)CCl A2Z00057069 [1,1,0,0,0,0|1,0,0]=3 95 B9R1.11 c1cc(sc1)C(=O)NN A2Z00051543 [1,1,0,0,0,0|1,0,0]=3 96 B9R1.11 c1cc(sc1)C(CN)O A2Z00046545 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.19 c1cc(sc1)S(=O)(=O)Cl A2Z00040063 [1,1,0,0,0,0|1,0,1]=4 98 B9R1.41 CC(=O)c1c(ncs1)Br A2Z00050247 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [1,1,0,0,0,0|1,1,0]=4 100 B9R1.41 Cc1c(snn1)C(=O)O A2Z00099277 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [1,1,0,0,0,0|0,0,0]=2 102 B9R1.41 Cn1c(ccn1)C(=O)O A2Z00096177 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.41 c1csc(c1O)C(=O)N A2Z00061416 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.3 CCc1ccc(cc1)C(=O)O A2Z00083092 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.3 COc1ccc(cc1)C(=O)O A2Z00038625 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.3 c1cc(ccc1C#N)C(=O)O A2Z00097496 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.3 c1cc(ccc1C=O)C(=O)O A2Z00097123 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.3 c1cc(ccc1CN)C(=O)O A2Z00038655 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.3 c1cc(ncc1C(=O)O)C#N A2Z00096360 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl A2Z00094298 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl A2Z00049750 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.21 Cc1ccc(cc1N)C(=O)O A2Z00094525 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O A2Z00083657 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl A2Z00094869 [0,1,0,0,0,1|1,0,0]=3 115 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A2Z00093440 [0,1,0,0,0,1|1,0,0]=3 116 B11R1.21 c1cc(c(cc1C(=O)O)N)N A2Z00095962 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.21 c1cc(c(cc1C(=O)O)N)O A2Z00098397 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.22 CNC(=O)c1ccc(cc1)Cl A2Z00053054 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.22 COC(=O)c1ccc(nc1)N A2Z00070242 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.22 COC(=O)c1cnc(cn1)Cl A2Z00096393 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A2Z00094275 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.166 c1cc(c(cc1F)F)C(=O)O A2Z00097416 [0,1,0,0,0,1|1,1,0]=4 123 B11R1.166 c1cc(c(cc1N)O)C(=O)O A2Z00097498 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.166 c1cc(c(cc1O)O)C(=O)O A2Z00038656 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.645 C(=C/1\C(=O)NC(=O)S1)/C(=O)O A2Z00021908 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.645 Cc1cc(oc1CC(=O)O)C A2Z00050324 [0,1,0,0,0,1|1,1,0]=4 127 B11R1.23 COC(=O)c1cccc(c1)N A2Z00095938 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr A2Z00096150 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN A2Z00096028 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN A2Z00014653 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.74 Cc1cc(nc(c1)C(=O)O)C A2Z00009586 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.74 c1c(=O)[nH]c(nc1O)C(=O)O A2Z00049519 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O A2Z00094868 [0,1,0,0,0,1|1,0,0]=3 134 B11R1.74 c1c(cc(cc1F)Br)C(=O)O A2Z00094875 [0,1,0,0,0,1|1,1,0]=4 135 B11R1.74 c1c(cc(cc1O)O)C(=O)O A2Z00098105 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.74 c1c(cc(nc1O)O)C(=O)O A2Z00096016 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O A2Z00097567 [0,1,0,0,0,1|1,1,0]=4 138 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O A2Z00097585 [0,1,0,0,0,1|1,1,0]=4 139 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O A2Z00097432 [0,1,0,0,0,1|1,1,0]=4 140 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O A2Z00061682 [0,1,0,0,0,1|1,0,0]=3 141 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O A2Z00096365 [0,1,0,0,0,1|1,1,0]=4 142 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O A2Z00097431 [0,1,0,0,0,1|1,1,0]=4 143 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br A2Z00097370 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A2Z00083135 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.167 c1c(c(c[nH]c1=O)Br)C(=O)O A2Z00050240 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A2Z00094857 [0,1,0,0,0,1|1,1,0]=4 147 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A2Z00097335 [0,1,0,0,0,1|1,1,0]=4 148 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O A2Z00096863 [0,1,0,0,0,1|1,0,0]=3 149 B11R1.266 COc1cccc(c1)C(=O)O A2Z00078098 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.266 c1cc(cc(c1)C(=O)O)C#N A2Z00097495 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.266 c1cc(cc(c1)C(=O)O)CBr A2Z00069073 [0,1,0,0,0,1|1,1,0]=4 152 B11R1.266 c1cnc(cc1C(=O)O)CN A2Z00096227 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.44 COC(=O)c1ccc([nH]1)C=O A2Z00096185 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.44 COC(=O)c1ccc(o1)C#N A2Z00046652 [0,2,0,0,0,0|1,1,0]=4 155 B11R1.44 COC(=O)c1ccc(o1)C=O A2Z00049584 [0,2,0,0,0,0|1,1,0]=4 156 B11R1.225 Cc1c(sc(n1)N)C(=O)OC A2Z00097219 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.225 Cc1cc(c(s1)C(=O)OC)O A2Z00018227 [0,2,0,0,0,0|1,0,0]=3 158 B11R1.50 Cc1c(sc(n1)CN)C(=O)O A2Z00061629 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.672 Cc1c(sc(=O)n1C)C(=O)O A2Z00069309 [0,2,0,0,0,0|2,0,0]=4 160 B9R1.69 c1cc(c(cc1Cl)O)Cl A2Z00038619 [0,0,1,1,0,0|2,0,0]=4 161 B9R1.2 c1cc(cc(c1)O)C=O A2Z00093516 [1,0,0,0,0,1|2,0,0]=4 162 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [1,0,0,0,0,1|2,0,0]=4 163 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [1,0,0,0,0,1|2,0,0]=4 164 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [1,0,0,0,0,1|0,1,0]=3 165 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [1,0,0,0,0,1|1,0,0]=3 166 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [1,0,0,0,0,1|1,0,0]=3 167 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [1,0,0,0,0,1|0,0,0]=2 168 B9R1.13 c1cn[nH]c1CC(=O)O A2Z00096237 [1,0,0,0,0,1|2,0,0]=4 169 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [0,0,0,0,0,2|2,0,0]=4 170 B11R1.157 CC(=O)Nc1ccnc(c1)Cl A2Z00029852 [0,0,0,0,0,2|2,0,0]=4