0 B9R1.35 C1C(=NNC1=O)C(=O)O A2Z00050178 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.35 C1C(NNC1=O)C(=O)O A2Z00050207 [0,0,0,0,0,0|1,0,3]=4 2 B9R1.35 CC(C)c1cc([nH]n1)O A2Z00097315 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 Cc1cc(n[nH]1)C(=O)O A2Z00046525 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 Cc1cc(ns1)C(=O)O A2Z00050333 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 Cc1ncc(s1)C(=O)O A2Z00073992 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 Cn1cc(nn1)C(=O)O A2Z00061751 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.35 c1([nH]c(nn1)N)C(=O)O A2Z00096022 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 c1([nH]nc(n1)N)C(=O)O A2Z00096282 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 c1(nc([nH]n1)N)C(=O)O A2Z00096349 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [0,0,0,0,0,0|1,0,1]=2 12 B9R1.35 c1c([nH]nc1O)C(=O)O A2Z00050449 [0,0,0,0,0,0|1,0,2]=3 13 B9R1.35 c1c(n[nH]c1O)C(=O)O A2Z00096273 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 c1c(nc(s1)Cl)C(=O)O A2Z00085550 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 c1c(nc(s1)N)C(=O)O A2Z00085471 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.1 Cc1cnc(o1)CO A2Z00096381 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.1 Cn1cc(cn1)C=O A2Z00097396 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [1,0,0,0,0,0|3,0,0]=4 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|2,0,0]=3 25 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.14 CC1CN=C(O1)C(=O)OC A2Z00096331 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.14 COC(=O)c1[nH]c(nn1)N A2Z00096668 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.14 COC(=O)c1nc([nH]n1)N A2Z00096667 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.14 Cc1cc(n[nH]1)C(=O)OC A2Z00096044 [0,1,0,0,0,0|0,0,0]=1 32 B10R1.31 c1c(c[nH]c1C(=O)O)C=O A2Z00096179 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.31 c1c(nc(s1)CN)C(=O)O A2Z00061615 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.58 c1c(c(sc1C(=O)O)Br)Br A2Z00080716 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.59 Cc1c(cn(n1)C)C(=O)O A2Z00096021 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.59 Cc1c(oc(n1)C)C(=O)O A2Z00087560 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.59 Cc1c(sc(=O)[nH]1)C(=O)O A2Z00069308 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.59 Cc1c(sc(n1)C)C(=O)O A2Z00087546 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.59 Cc1cc(c(s1)N)C(=O)N A2Z00069985 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.28 CC(=O)NCCC(=O)O A2Z00046392 [0,0,1,0,0,0|2,0,1]=4 41 B10R1.13 C1CC(=O)NN=C1C(=O)O A2Z00083466 [0,0,0,0,0,1|1,0,1]=3 42 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.13 Cc1cnc(cn1)C(=O)N A2Z00096092 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.13 Cc1cnc(cn1)C(=O)O A2Z00096093 [0,0,0,0,0,1|1,0,0]=2 45 B10R1.13 c1c(ncc(n1)Br)C(=O)O A2Z00050258 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.13 c1c(ncc(n1)O)C(=O)O A2Z00096301 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.13 c1cc(=O)[nH]nc1C(=O)O A2Z00083465 [0,0,0,0,0,1|1,0,0]=2 49 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.13 c1cc(nnc1C(=O)O)Cl A2Z00049654 [0,0,0,0,0,1|1,0,1]=3 54 B10R1.54 Cc1cc(no1)CC(=O)O A2Z00047214 [0,0,0,0,0,1|1,0,0]=2 55 B10R1.54 Cc1cc(no1)NC(=O)C A2Z00039131 [0,0,0,0,0,1|2,0,0]=3 56 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.54 Cc1nc(co1)CC(=O)O A2Z00049434 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.54 Cc1nc(no1)CC(=O)O A2Z00047860 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.54 Cc1nnc(o1)CC(=O)O A2Z00047076 [0,0,0,0,0,1|1,0,1]=3 60 B10R1.54 Cc1nnc(s1)CC(=O)O A2Z00049747 [0,0,0,0,0,1|1,0,1]=3 61 B10R1.54 Cn1nc(nn1)CC(=O)O A2Z00049696 [0,0,0,0,0,1|2,0,1]=4 62 B10R1.54 c1c(nnn1CC(=O)O)N A2Z00050334 [0,0,0,0,0,1|2,0,1]=4 63 B10R1.113 Cc1cc(ccn1)C(=O)O A2Z00096178 [0,0,0,0,0,1|1,0,1]=3 64 B10R1.113 Cc1cc(cnc1)C(=O)O A2Z00096067 [0,0,0,0,0,1|1,0,0]=2 65 B10R1.113 c1c(cncc1N)C(=O)O A2Z00009581 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.113 c1c(nc[nH]c1=O)C(=O)O A2Z00094899 [0,0,0,0,0,1|1,0,0]=2 67 B10R1.113 c1c(ncnc1Cl)C(=O)Cl A2Z00095427 [0,0,0,0,0,1|2,0,1]=4 68 B10R1.113 c1c(ncnc1Cl)C(=O)O A2Z00094900 [0,0,0,0,0,1|1,0,1]=3 69 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.113 c1cnc(cc1Br)C(=O)O A2Z00009551 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.113 c1cnc(cc1C(=O)O)Cl A2Z00096019 [0,0,0,0,0,1|2,0,1]=4 73 B10R1.113 c1cnc(cc1C(=O)O)O A2Z00096024 [0,0,0,0,0,1|2,0,1]=4 74 B10R1.113 c1cnc(cc1O)C(=O)O A2Z00009579 [0,0,0,0,0,1|2,0,0]=3 75 B7R1.1 c1c[nH]nc1CO A2Z00038634 [2,0,0,0,0,0|0,0,1]=3 76 B7R1.1 c1cscc1C=O A2Z00050189 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.2 Cc1cc([nH]n1)N A2Z00061676 [2,0,0,0,0,0|1,0,1]=4 79 B7R1.2 Cc1cc([nH]n1)O A2Z00096551 [2,0,0,0,0,0|0,0,2]=4 80 B7R1.2 Cc1cc(n[nH]1)N A2Z00050172 [2,0,0,0,0,0|1,0,0]=3 81 B7R1.2 Cc1cc(no1)N A2Z00085614 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.23 Cc1c(nc([nH]1)C=O)C A2Z00050350 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.41 Cc1c(cn[nH]1)C(=O)O A2Z00085440 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.41 Cn1c(ccn1)C(=O)O A2Z00096177 [1,1,0,0,0,0|0,0,2]=4 88 B11R1.3 CCc1ccc(cc1)C(=O)O A2Z00083092 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.3 COc1ccc(cc1)C(=O)O A2Z00038625 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.3 c1c(ncc(n1)C(=O)O)C=O A2Z00050327 [0,1,0,0,0,1|1,0,1]=4 91 B11R1.3 c1cc(ccc1CN)C(=O)O A2Z00038655 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.21 Cc1ccc(cc1N)C(=O)O A2Z00094525 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O A2Z00083657 [0,1,0,0,0,1|1,0,0]=3 94 B11R1.22 COC(=O)c1cnc(cn1)Br A2Z00096452 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.22 COC(=O)c1cnc(cn1)Cl A2Z00096393 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.22 COC(=O)c1cnc(cn1)O A2Z00096407 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.22 Cc1cnc(cn1)C(=O)OC A2Z00096105 [0,1,0,0,0,1|1,0,0]=3 98 B11R1.39 Cc1cc(no1)NC(=O)CN A2Z00049516 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.39 Cc1nnc(s1)CC(=O)OC A2Z00094140 [0,1,0,0,0,1|1,0,1]=4 100 B11R1.74 Cc1cc(nc(c1)C(=O)O)C A2Z00009586 [0,1,0,0,0,1|1,0,0]=3 101 B11R1.167 Cc1cc(c(nn1)O)C(=O)O A2Z00049871 [0,1,0,0,0,1|0,0,1]=3 102 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br A2Z00097370 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A2Z00083135 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.167 c1c(c(c[nH]c1=O)Br)C(=O)O A2Z00050240 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.266 COc1cccc(c1)C(=O)O A2Z00078098 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.266 c1cc(cc(c1)C(=O)O)CBr A2Z00069073 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.266 c1cnc(cc1C(=O)O)CN A2Z00096227 [0,1,0,0,0,1|1,0,1]=4 108 B11R1.15 CCOC(=O)C1=NNC(=O)C1 A2Z00050489 [0,2,0,0,0,0|1,0,1]=4 109 B11R1.15 CCOC(=O)c1cc(=O)[nH][nH]1 A2Z00050490 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.15 CCOC(=O)c1cc([nH]n1)O A2Z00096480 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.15 CCOC(=O)c1ncc(o1)C A2Z00096335 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.225 Cc1cc(c(s1)N)C(=O)OC A2Z00062553 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.50 CCc1cc(c(s1)N)C(=O)O A2Z00070469 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.175 CC(=O)c1cc([nH]c1)C(=O)O A2Z00096025 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.175 c1c([nH]nc1C(=O)O)C(=O)O A2Z00096963 [0,2,0,0,0,0|0,0,1]=3 116 B9R1.6 c1cnc(cn1)C(=O)O A2Z00085941 [0,0,1,1,0,0|2,0,0]=4 117 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [1,0,0,0,0,1|2,0,0]=4 118 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [1,0,0,0,0,1|0,0,0]=2 119 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [1,0,0,0,0,1|2,0,0]=4 120 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [1,0,0,0,0,1|2,0,0]=4 121 B9R1.13 c1cn[nH]c1CC(=O)O A2Z00096237 [1,0,0,0,0,1|0,0,2]=4 122 B11R1.75 Cc1[nH]c(nn1)SCC(=O)O A2Z00097870 [0,0,0,0,0,2|1,0,1]=4