0 B10R1.13 c1cc(=O)[nH]nc1C(=O)O ZERO/006478 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 c1cc(ncc1C(=O)O)O ZERO/005644 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.1 c1cc(ccc1CN)N ZERO/006008 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.1 c1cc(ccc1NN)F ZERO/001549 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 c1ccnc(c1)C(=S)N ZERO/009751 [1,0,0,0,0,0|2,1,0]=4 5 B9R1.6 c1cncnc1C(=O)O ZERO/009348 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.3 COc1ccc(cn1)C(=O)O ZERO/004624 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.21 CC(C)c1ccc(c(c1)N)O ZERO/005858 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.21 Cn1ccc(cc1=O)C(=O)O ZERO/010032 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.21 c1c(cnc(c1Br)O)[N+](=O)[O-] ZERO/006101 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N ZERO/010069 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl ZERO/000201 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.22 COC(=O)c1cnc(cn1)O ZERO/008486 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N ZERO/009745 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.166 c1c(c(=O)[nH]c(n1)N)C(=O)O ZERO/010568 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.35 Cc1cc(on1)C(=O)O ZERO/005930 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.35 Cc1nc(co1)C(=O)O ZERO/010355 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.35 Cn1cc(cn1)C(=O)O ZERO/008857 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.35 Cn1cc(nc1)C(=O)O ZERO/005974 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.35 Cn1ccc(n1)C(=O)O ZERO/005517 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.35 c1(nc([nH]n1)O)C(=O)O ZERO/005808 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.35 c1c([nH][nH]c1=O)C(=O)O ZERO/008913 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.35 c1c(onc1Cl)C(=O)O ZERO/010884 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.35 c1c(onc1O)C(=O)O ZERO/010502 [0,0,0,0,1,0|2,0,0]=3 24 B11R1.20 c1cc(ncc1CC(=O)O)Cl ZERO/010378 [0,0,0,0,0,1|2,0,0]=3 25 B10R1.3 COc1ccc(cc1)NN ZERO/004587 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.3 COc1ncc(cn1)C=O ZERO/009842 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.176 COc1ccc(c(c1)N)O ZERO/005376 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.15 C#CC(=O)c1ccccc1 ZERO/004572 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.61 Cc1ccncc1C(=O)O ZERO/009371 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.61 c1c(c(ncn1)N)C(=O)O ZERO/008490 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.61 c1cnc(c(n1)C(=O)O)O ZERO/010099 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.61 c1cncc(c1C(=O)O)Br ZERO/008524 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.61 c1cncc(c1N)C(=O)O ZERO/010694 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.113 c1cnc(cc1N)C(=O)O ZERO/010331 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.14 COC(=O)c1ccc(s1)N ZERO/008433 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.31 CC(=O)c1cc(cs1)CO ZERO/008318 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.31 c1c(onc1C(=O)O)CO ZERO/008571 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.58 Cc1c(cc(s1)C(=O)O)Br ZERO/009839 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.49 c1cc(ccc1C\C(=N\O)\N)Cl ZERO/011170 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.5 CCC(=O)c1ccc(cc1)C#N ZERO/010864 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.5 COc1ccc(cc1)C(=O)C#C ZERO/010855 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.48 CC(=O)c1ccc(c(c1)N)OC ZERO/009457 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.48 COc1ccc(cc1Cl)C(=O)O ZERO/010146 [0,2,0,0,0,0|0,0,0]=2 44 B12R1.232 Cn1cc(c(cc1=O)O)C(=O)O ZERO/010858 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.232 c1c(c(cc(c1N)Cl)Cl)C(=O)O ZERO/004577 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.367 COC(=O)c1ccc(c(c1)Br)N ZERO/004654 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.1005 Cc1cc(cc(c1N)Br)C(=O)O ZERO/010733 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.1005 c1c(cc(c(c1Cl)Cl)Cl)C(=O)O ZERO/010989 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.1005 c1c(cc(c(c1Cl)I)Cl)C(=O)O ZERO/010937 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.1005 c1c(cc(c(c1N)Cl)N)C(=O)O ZERO/005213 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.1005 c1c(cc(c(c1N)O)Cl)[N+](=O)[O-] ZERO/005154 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.12 c1cc(ccc1\C(=C\O)\C#N)Cl ZERO/005863 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.16 CCCC(=O)c1ccc(cc1)O ZERO/000922 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.16 CNCC(=O)c1ccc(cc1)O ZERO/006246 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.16 c1cc(ccc1C(=O)CC#N)I ZERO/010013 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl ZERO/005668 [0,2,0,0,0,0|1,0,0]=3 57 B12R2.606 Cc1nc2ccc(cc2o1)N ZERO/004904 [0,0,0,1,0,1|2,0,0]=4 58 B12R2.606 c1cc2c(cc1F)CC(=O)N2 ZERO/009566 [0,0,0,1,0,1|2,0,0]=4 59 B12R2.606 c1cc2c(cc1N)[nH]c(=O)[nH]2 ZERO/004605 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.606 c1cc2c(cc1O)sc(=O)o2 ZERO/004613 [0,0,0,1,0,1|0,1,0]=3 61 B12R2.612 c1cc2c(cc1N)COC2=O ZERO/009021 [0,1,0,1,0,0|1,0,0]=3 62 B8R1.7 c1c[nH]nc1C(=O)O ZERO/001694 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.7 c1cnsc1C(=O)O ZERO/004967 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.21 c1cc(ccc1CCC(=O)O)Cl ZERO/008485 [0,0,0,0,0,2|1,0,0]=3 65 B12R1.21 c1cc(ccc1CCC(=O)O)N ZERO/005990 [0,0,0,0,0,2|1,0,0]=3 66 B12R1.21 c1cc(ccc1N)OCC(=O)O ZERO/001282 [0,0,0,0,0,2|1,0,0]=3