0 B12R2.18 C=C1c2ccccc2NC1=O CHEBI:17920 [1,0,0,0,0,0|2,0,0]=3 1 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [1,0,0,0,0,0|2,0,0]=3 2 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [1,0,0,0,0,0|1,0,1]=3 3 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [1,0,0,0,0,0|1,0,0]=2 4 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [1,0,0,0,0,0|1,0,1]=3 5 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 CHEBI:77861 [1,0,0,0,0,0|1,1,0]=3 6 B12R2.606 c1cc2c(cc1O)oc(=O)s2 CHEBI:568021 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.612 B1(c2ccc(cc2CO1)F)O CHEBI:77942 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.4217 c1cc2c(cc1Cl)oc(=O)n2CO CHEBI:38811 [0,1,0,0,0,0|1,1,0]=3 9 B12R1.20 c1cc(ccc1C(C(=O)N)N)O CHEBI:58991 [0,0,1,0,0,0|3,0,0]=4 10 B12R1.20 c1cc(ccc1C(C(=O)O)O)O CHEBI:16388 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.20 c1cc(ccc1C(C(=O)[O-])O)O CHEBI:32804 [0,0,1,0,0,0|3,0,0]=4 12 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O CHEBI:32802 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.20 c1cc(ccc1[C@@H](C(=O)[O-])O)O CHEBI:17210 [0,0,1,0,0,0|3,0,0]=4 14 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)O CHEBI:32803 [0,0,1,0,0,0|3,0,0]=4 15 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])O)O CHEBI:27996 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.50 Cc1cccc(c1)OC(=O)NC CHEBI:38537 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CHEBI:116915 [1,0,1,0,0,0|1,1,0]=4 18 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.20 c1cc(ccc1NC(=S)N)Br CHEBI:34391 [1,0,1,0,0,0|0,2,0]=4 20 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [1,0,1,0,0,0|1,0,0]=3 25 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.157 CC(=O)Nc1cccc(c1)O CHEBI:76987 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.157 Cc1cccc(c1)CC(=O)O CHEBI:88356 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.157 c1cc(cc(c1)O)CC(=O)O CHEBI:17445 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.41 c1ccc(c(c1)C=O)NC=O CHEBI:18033 [1,0,1,0,0,0|1,0,1]=4 31 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [2,0,0,0,0,0|2,0,0]=4 32 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [2,0,0,0,0,0|2,0,0]=4 33 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [2,0,0,0,0,0|1,0,0]=3 34 B11R2.1 c1ccc2c(c1)ccn2Br CHEBI:52517 [2,0,0,0,0,0|2,0,0]=4 35 B11R2.1 c1ccc2c(c1)ccn2Cl CHEBI:52510 [2,0,0,0,0,0|2,0,0]=4 36 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [2,0,0,0,0,0|2,0,0]=4 37 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 CHEBI:38580 [2,0,0,0,0,0|2,0,0]=4 38 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [2,0,0,0,0,0|1,0,1]=4 39 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [2,0,0,0,0,0|2,0,0]=4 40 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [2,0,0,0,0,0|1,0,0]=3 41 B11R2.10 c1ccc2c(c1)[nH]c(n2)N CHEBI:27822 [2,0,0,0,0,0|1,0,1]=4 42 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [2,0,0,0,0,0|2,0,0]=4 43 B11R2.36 Cc1ccc2c(c1)nc[nH]2 CHEBI:40205 [2,0,0,0,0,0|1,0,1]=4 44 B11R2.36 c1cc2c(cc[nH]2)cc1F CHEBI:72818 [2,0,0,0,0,0|1,0,0]=3 45 B11R2.36 c1cc2c(cc[nH]2)cc1N CHEBI:33067 [2,0,0,0,0,0|2,0,0]=4 46 B11R2.36 c1cc2c(cc[nH]2)cc1O CHEBI:89649 [2,0,0,0,0,0|2,0,0]=4 47 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Cl CHEBI:83466 [0,1,1,0,0,0|1,1,0]=4 48 B13R2.359 CC1(c2ccccc2NC1=O)O CHEBI:28254 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.3028 c1cc2c(cc1N)C(=O)C(=O)N2 CHEBI:59593 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CHEBI:52091 [0,0,1,0,1,0|1,1,0]=4 51 B13R2.328 Cc1cc(=O)[nH]c2c1cccc2 CHEBI:48986 [1,0,0,0,0,1|2,0,0]=4 52 B13R2.328 c1ccc2c(c1)C(=O)CC(=O)N2 CHEBI:85653 [1,0,0,0,0,1|1,0,1]=4 53 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O CHEBI:75926 [1,0,0,0,0,1|1,0,0]=3 54 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O CHEBI:40070 [1,0,0,0,0,1|2,0,0]=4 55 B13R2.369 Cc1cc2ccccc2[nH]c1=O CHEBI:20114 [1,0,0,0,0,1|2,0,0]=4 56 B13R2.369 c1ccc2c(c1)NC(=O)C(O2)O CHEBI:63559 [1,0,0,0,0,1|1,0,0]=3 57 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O CHEBI:48996 [1,0,0,0,0,1|2,0,0]=4