0 B9R1.35 C1C(=NNC1=O)C(=O)O A2Z00050178 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 Cc1cc(n[nH]1)C(=O)O A2Z00046525 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 Cc1cc(ns1)C(=O)O A2Z00050333 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 Cc1nc(cs1)C(C)N A2Z00073813 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 Cc1ncc(s1)C(=O)O A2Z00073992 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 Cn1cc(nn1)C(=O)O A2Z00061751 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 c1([nH]c(nn1)N)C(=O)O A2Z00096022 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 c1([nH]nc(n1)N)C(=O)O A2Z00096282 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 c1(nc([nH]n1)N)C(=O)O A2Z00096349 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 c1c([nH]nc1O)C(=O)O A2Z00050449 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 c1c(n[nH]c1O)C(=O)O A2Z00096273 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 c1c(nc(s1)Cl)C(=O)O A2Z00085550 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 c1c(nc(s1)N)C(=O)O A2Z00085471 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.1 Cc1nc(cs1)CN A2Z00073814 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.1 Cn1cc(cn1)C=O A2Z00097396 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.1 Cn1cc(cn1)CO A2Z00074306 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.1 c1cc(oc1C=O)I A2Z00064077 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 c1c(ncs1)C(=O)N A2Z00050185 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.7 c1c(non1)C(=O)O A2Z00050422 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.14 COC(=O)c1ccc(o1)Br A2Z00095435 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.14 Cc1cc(n[nH]1)C(=O)OC A2Z00096044 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.31 c1c(c[nH]c1C(=O)O)C=O A2Z00096179 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.31 c1c(nc(s1)CN)C(=O)O A2Z00061615 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.31 c1cc([nH]c1C=O)C(=O)O A2Z00096160 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.31 c1cc(oc1C#N)C(=O)O A2Z00048029 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.31 c1cc(oc1C=O)C(=O)O A2Z00094670 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.58 c1c(c(sc1C(=O)O)Br)Br A2Z00080716 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.59 Cc1c(cn(n1)C)C(=O)O A2Z00096021 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.59 Cc1c(oc(n1)C)C(=O)O A2Z00087560 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.59 Cc1c(sc(=O)[nH]1)C(=O)O A2Z00069308 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.59 Cc1c(sc(n1)C)C(=O)C A2Z00095981 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.59 Cc1c(sc(n1)C)C(=O)O A2Z00087546 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.59 Cc1cc(c(s1)N)C(=O)N A2Z00069985 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.59 Cc1cc(oc1C(=O)C)C A2Z00096159 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.194 Cn1c(cnc1N)C(=O)O A2Z00069899 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [0,0,0,0,0,1|1,0,0]=2 49 B10R1.13 Cc1ccc(cc1)C(=S)N A2Z00038400 [0,0,0,0,0,1|2,1,0]=4 50 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] A2Z00096401 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.13 Cc1cnc(cn1)C(=O)N A2Z00096092 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.13 Cc1cnc(cn1)C(=O)O A2Z00096093 [0,0,0,0,0,1|1,0,0]=2 53 B10R1.13 c1c(ncc(n1)Br)C(=O)O A2Z00050258 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.13 c1c(ncc(n1)O)C(=O)O A2Z00096301 [0,0,0,0,0,1|2,0,0]=3 55 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [0,0,0,0,0,1|2,0,0]=3 56 B10R1.13 c1cc(=O)[nH]nc1C(=O)O A2Z00083465 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.13 c1cc(nnc1C(=O)O)Cl A2Z00049654 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.54 Cc1cc(no1)CC(=O)O A2Z00047214 [0,0,0,0,0,1|1,1,0]=3 65 B10R1.54 Cc1cc(no1)NC(=O)C A2Z00039131 [0,0,0,0,0,1|2,1,0]=4 66 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.54 Cc1nc(co1)CC(=O)O A2Z00049434 [0,0,0,0,0,1|1,1,0]=3 68 B10R1.54 Cc1nc(no1)CC(=O)O A2Z00047860 [0,0,0,0,0,1|2,1,0]=4 69 B10R1.54 Cc1nnc(o1)CC(=O)O A2Z00047076 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.54 Cc1nnc(s1)CC(=O)O A2Z00049747 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.54 c1cc(sc1CC(=O)O)Br A2Z00050168 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.113 Cc1cc(ccn1)C(=O)O A2Z00096178 [0,0,0,0,0,1|1,0,0]=2 74 B10R1.113 Cc1cc(cnc1)C(=O)O A2Z00096067 [0,0,0,0,0,1|1,0,0]=2 75 B10R1.113 c1c(cncc1N)C(=O)O A2Z00009581 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.113 c1c(nc[nH]c1=O)C(=O)O A2Z00094899 [0,0,0,0,0,1|2,0,0]=3 77 B10R1.113 c1c(ncnc1Cl)C(=O)Cl A2Z00095427 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.113 c1c(ncnc1Cl)C(=O)O A2Z00094900 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [0,0,0,0,0,1|2,0,0]=3 82 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [0,0,0,0,0,1|2,0,0]=3 83 B10R1.113 c1cc(nc(c1)Cl)C(=O)O A2Z00050531 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.113 c1cnc(cc1Br)C(=O)O A2Z00009551 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.113 c1cnc(cc1C(=O)O)Cl A2Z00096019 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.113 c1cnc(cc1C(=O)O)O A2Z00096024 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.113 c1cnc(cc1O)C(=O)O A2Z00009579 [0,0,0,0,0,1|2,0,0]=3 88 B7R1.1 c1cscc1C=O A2Z00050189 [2,0,0,0,0,0|0,0,0]=2 89 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [2,0,0,0,0,0|1,0,1]=4 90 B7R1.2 Cc1cc([nH]n1)O A2Z00096551 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [2,0,0,0,0,0|1,0,1]=4 92 B7R1.2 c1c([nH]c(=O)s1)O A2Z00096718 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.2 c1c(nc(s1)N)O A2Z00096174 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.2 c1c(nc(s1)O)O A2Z00096717 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.41 Cc1c(cn[nH]1)C(=O)O A2Z00085440 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.41 Cn1c(ccn1)C(=O)O A2Z00096177 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.3 CCc1ccc(cc1)C(=O)O A2Z00083092 [0,1,0,0,0,1|1,0,0]=3 102 B11R1.3 COc1ccc(cc1)C(=O)O A2Z00038625 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.3 c1c(ncc(n1)C(=O)O)C=O A2Z00050327 [0,1,0,0,0,1|1,0,1]=4 104 B11R1.3 c1cc(ccc1C#N)C(=O)O A2Z00097496 [0,1,0,0,0,1|1,0,1]=4 105 B11R1.3 c1cc(ccc1C=O)C(=O)O A2Z00097123 [0,1,0,0,0,1|1,0,1]=4 106 B11R1.3 c1cc(ccc1CN)C(=O)N A2Z00074039 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.3 c1cc(ccc1CN)C(=O)O A2Z00038655 [0,1,0,0,0,1|1,0,0]=3 108 B11R1.3 c1cc(ncc1C(=O)O)C#N A2Z00096360 [0,1,0,0,0,1|1,0,1]=4 109 B11R1.21 Cc1ccc(cc1N)C(=O)C A2Z00048065 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.21 Cc1ccc(cc1N)C(=O)O A2Z00094525 [0,1,0,0,0,1|1,0,0]=3 111 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl A2Z00094869 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A2Z00093440 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.21 c1cc(c(cc1C(=O)O)N)N A2Z00095962 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.21 c1cc(c(cc1C(=O)O)N)O A2Z00098397 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.22 COC(=O)c1ccc(nc1)N A2Z00070242 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.22 COC(=O)c1cnc(cn1)Br A2Z00096452 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.22 COC(=O)c1cnc(cn1)Cl A2Z00096393 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.22 COC(=O)c1cnc(cn1)O A2Z00096407 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.22 Cc1cnc(cn1)C(=O)OC A2Z00096105 [0,1,0,0,0,1|1,0,0]=3 120 B11R1.166 c1cc(c(cc1F)F)C(=O)O A2Z00097416 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.166 c1cc(c(cc1N)O)C(=O)O A2Z00097498 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.166 c1cc(c(cc1O)O)C(=O)O A2Z00038656 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.645 Cc1cc(oc1CC(=O)O)C A2Z00050324 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.23 COC(=O)c1cccc(c1)N A2Z00095938 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.23 Cc1cccc(c1)C(=O)NN A2Z00014683 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.74 Cc1cc(nc(c1)C(=O)O)C A2Z00009586 [0,1,0,0,0,1|1,0,0]=3 127 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O A2Z00094868 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.74 c1c(cc(cc1F)Br)C(=O)O A2Z00094875 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.74 c1c(cc(cc1O)O)C(=O)O A2Z00098105 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.74 c1c(cc(nc1O)O)C(=O)O A2Z00096016 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.159 Cn1cccc(c1=O)C(=O)O A2Z00095980 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O A2Z00097567 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O A2Z00097585 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O A2Z00097432 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O A2Z00061682 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O A2Z00096365 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O A2Z00097431 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.167 Cc1cc(c(nn1)O)C(=O)O A2Z00049871 [0,1,0,0,0,1|1,0,0]=3 139 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A2Z00093755 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br A2Z00097370 [0,1,0,0,0,1|1,0,0]=3 141 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A2Z00083135 [0,1,0,0,0,1|1,0,0]=3 142 B11R1.167 c1c(c(c[nH]c1=O)Br)C(=O)O A2Z00050240 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A2Z00094857 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A2Z00097335 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O A2Z00096863 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.266 COc1cccc(c1)C(=O)N A2Z00094313 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.266 COc1cccc(c1)C(=O)O A2Z00078098 [0,1,0,0,0,1|1,0,0]=3 148 B11R1.266 c1cc(cc(c1)C(=O)O)C#N A2Z00097495 [0,1,0,0,0,1|1,0,1]=4 149 B11R1.266 c1cc(cc(c1)C(=O)O)CBr A2Z00069073 [0,1,0,0,0,1|1,0,0]=3 150 B11R1.266 c1cnc(cc1C(=O)O)CN A2Z00096227 [0,1,0,0,0,1|1,0,0]=3 151 B11R1.15 CCOC(=O)c1csc(n1)N A2Z00097901 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.44 COC(=O)c1csc(n1)CN A2Z00061628 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.225 Cc1cc(c(s1)C(=O)OC)O A2Z00018227 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.225 Cc1cc(c(s1)N)C(=O)OC A2Z00062553 [0,2,0,0,0,0|0,0,0]=2 155 B11R1.50 CCc1cc(c(s1)N)C(=O)N A2Z00069984 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.50 CCc1cc(c(s1)N)C(=O)O A2Z00070469 [0,2,0,0,0,0|0,0,0]=2 157 B11R1.50 Cc1c(sc(n1)CN)C(=O)O A2Z00061629 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.124 c1c(nc(s1)CCN)C(=O)O A2Z00062446 [0,2,0,0,0,0|1,0,0]=3 159 B11R1.175 CC(=O)c1cc([nH]c1)C(=O)O A2Z00096025 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.175 CC(c1nc(cs1)C(=O)O)N A2Z00061616 [0,2,0,0,0,0|1,0,0]=3 161 B11R1.673 Cc1c(c(n(n1)C)Br)C(=O)O A2Z00050238 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,0,1,0,1,0|1,0,1]=4 163 B9R1.2 c1cc(cc(c1)O)C=O A2Z00093516 [1,0,0,0,0,1|2,0,0]=4 164 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [1,0,0,0,0,1|1,0,0]=3 165 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [1,0,0,0,0,1|2,0,0]=4 166 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [1,0,0,0,0,1|2,0,0]=4 167 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [1,0,0,0,0,1|2,0,0]=4 168 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 B11R1.75 Cc1nc(cs1)CCC(=O)O A2Z00049199 [0,0,0,0,0,2|1,0,0]=3 171 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,0,0,0,0,2|2,0,0]=4