0 B12R2.252 c1c2c(cn[nH]2)sc1C(=O)O DA-29322 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.252 c1c2c(sc1C(=O)O)CCC2 DA-38251 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 c1c2cscc2sc1C(=O)O DA-44220 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.252 c1cn2cc(sc2n1)C(=O)O DA-33532 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.252 c1coc2c1sc(c2)C(=O)O DA-45936 [0,0,0,0,0,0|2,1,0]=3 5 B11R2.15 c1csc2c1[nH]c(c2)CO DA-39375 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.531 CNC(=O)c1cc2c(s1)ccs2 DA-42761 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.430 CC(c1ccc2c(c1)scn2)O DA-30716 [0,0,0,0,0,1|2,0,1]=4 8 B13R2.430 c1cc(nc2c1nc[nH]2)C(=O)O DA-23586 [0,0,0,0,0,1|1,0,2]=4 9 B13R2.430 c1cn2cc(cnc2n1)C(=O)O DA-33540 [0,0,0,0,0,1|2,0,1]=4 10 B13R2.430 c1cnn2c1cc(cc2)C(=O)O DA-48110 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.430 c1csc2c1cc(cn2)C(=O)O DA-47598 [0,0,0,0,0,1|2,0,0]=3 12 B13R2.430 c1csc2c1ncc(c2)C(=O)O DA-47597 [0,0,0,0,0,1|1,0,1]=3 13 B13R2.435 c1cc2c(cc([nH]2)C(=O)N)nc1 DA-29329 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.435 c1cc2cc(nn2nc1)C(=O)O DA-42148 [0,0,0,0,0,1|2,0,1]=4 15 B13R2.435 c1ccc2c(c1)CC(=C2)C(=O)O DA-29352 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O DA-29364 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.435 c1cncc2c1cc(o2)C(=O)Cl DA-33616 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.435 c1cncc2c1nc(s2)C(=O)O DA-41421 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.66 CC(=O)C=Cc1cncs1 DA-48306 [1,0,1,0,0,0|1,0,0]=3 20 B10R1.58 Cc1c(cc([nH]1)C(=O)O)I DA-39298 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.389 CC(=O)Nc1cc([nH]c1)C(=O)O DA-23174 [0,1,1,0,0,0|2,0,0]=4 22 B14R2.601 CC(=O)c1ccc2c(c1)nc(s2)N DA-31509 [0,1,0,0,0,1|2,0,0]=4 23 B14R2.601 c1cc2c(cc1C(=O)N)nc(s2)Cl DA-26477 [0,1,0,0,0,1|2,0,0]=4 24 B14R2.966 COC(=O)c1cc2c(nc1)scn2 DA-42543 [0,1,0,0,0,1|1,0,0]=3 25 B14R2.966 COC(=O)c1ccc2c(c1)nco2 DA-40499 [0,1,0,0,0,1|1,1,0]=4 26 B14R2.966 COC(=O)c1ccc2c(c1)ncs2 DA-37972 [0,1,0,0,0,1|1,0,0]=3 27 B14R2.966 COC(=O)c1ccc2c(c1)ocn2 DA-36976 [0,1,0,0,0,1|1,1,0]=4 28 B14R2.5998 c1cc(c(c2c1ccs2)O)C(=O)O DA-35636 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.5998 c1cc2c(ccs2)c(c1C(=O)O)O DA-39327 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.24358 c1cc2c(cc1C(=O)O)c(cs2)Br DA-23929 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)Cl DA-23870 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.972 COC(=O)c1cc2cnccc2[nH]1 DA-29327 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.972 c1cc2cc([nH]c2nc1)C(=O)NN DA-29335 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.4529 c1c2cc(ncc2oc1C(=O)O)Cl DA-37454 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)N DA-36621 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.4529 c1cc(nc2c1[nH]c(c2)C(=O)O)Cl DA-37621 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.7969 c1c2c(cncc2Br)[nH]c1C(=O)N DA-21270 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)O DA-39366 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.7969 c1cc2cc([nH]c2c(c1)F)C(=O)O DA-35903 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.970 CNC(=O)c1cc2c(n1C)ccs2 DA-42758 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.64 Cc1c(scn1)CC(=O)O DA-28115 [0,0,1,0,1,0|1,0,1]=4 42 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O DA-25737 [0,0,1,0,0,1|2,0,0]=4 43 B12R1.43 c1cnccc1\C=C(\C(=O)O)/O DA-31830 [0,0,1,0,0,1|2,0,0]=4 44 B12R2.44 c1c(cnc2c1ncs2)C=O DA-42541 [1,0,0,0,0,1|1,0,0]=3 45 B12R2.44 c1c(cnc2c1ncs2)CO DA-42542 [1,0,0,0,0,1|1,0,1]=4 46 B12R2.44 c1cc(cc2c1ccs2)C=O DA-35172 [1,0,0,0,0,1|2,0,0]=4 47 B12R2.44 c1cc2c(ccs2)nc1C=O DA-41550 [1,0,0,0,0,1|1,0,1]=4 48 B14R2.1008 c1cc2c(ccs2)nc1CC(=O)O DA-44770 [0,0,0,0,0,2|1,0,1]=4