0 B12R2.252 c1c(nn2c1N=CC2)C(=O)O AB55663 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.430 B(c1ccc2c(c1)scn2)(O)O AB22393 [0,0,0,0,0,1|2,0,1]=4 2 B13R2.430 C1C=C(C=C2C1=NC=N2)C(=O)O AB01058 [0,0,0,0,0,1|2,0,0]=3 3 B13R2.430 C1C=C(C=C2C1=NN=C2)C(=O)O PB26242 [0,0,0,0,0,1|3,0,0]=4 4 B13R2.430 C1C=C2C(=CC=N2)N=C1C(=O)O PB13209 [0,0,0,0,0,1|2,0,1]=4 5 B13R2.430 C1C=C2C=CN=C2C=C1C(=O)O PB12137 [0,0,0,0,0,1|2,0,0]=3 6 B13R2.430 C1C=C2C=CN=C2N=C1C(=O)O PB10537 [0,0,0,0,0,1|1,0,1]=3 7 B13R2.430 c1c(cnc2=CCN=c21)C(=O)O PB16180 [0,0,0,0,0,1|2,0,1]=4 8 B13R2.430 c1c(cnc2=NCC=c21)C(=O)O PB20248 [0,0,0,0,0,1|1,0,2]=4 9 B13R2.430 c1c(cnc2c1CN=N2)C(=O)O PB34425 [0,0,0,0,0,1|2,0,1]=4 10 B13R2.430 c1c2=CCN=c2cnc1C(=O)O AB60343 [0,0,0,0,0,1|1,0,2]=4 11 B13R2.430 c1c2=CCN=c2nc(n1)C(=O)O PB19512 [0,0,0,0,0,1|1,0,2]=4 12 B13R2.430 c1c2=NCC=c2cnc1C(=O)O PB23904 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 c1c2c(cnc1C(=O)O)N=NC2 PB13796 [0,0,0,0,0,1|2,0,1]=4 14 B13R2.430 c1cc(cc2c1cco2)C(=O)O MB01639 [0,0,0,0,0,1|2,1,0]=4 15 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 AB29416 [0,0,0,0,0,1|1,0,0]=2 16 B13R2.430 c1cc2c(cc1C(=O)O)scn2 AB03450 [0,0,0,0,0,1|1,0,0]=2 17 B13R2.430 c1cc2c(cco2)cc1C(=O)O MB01638 [0,0,0,0,0,1|2,1,0]=4 18 B13R2.430 c1cc2c(ccs2)cc1C(=O)O MB03434 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.430 c1cc2nccn2cc1C(=O)O PB10400 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 c1cc2ncnn2cc1C(=O)O PB16521 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 c1cn2c(cc1C(=O)O)ncn2 PB30202 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.430 c1cn2cc(cnc2n1)C(=O)O AB61246 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.430 c1cn2ccnc2cc1C(=O)O PB29686 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 c1cnn2c1ncc(c2)C(=O)O PB13395 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 c1csc2c1ncc(c2)C(=O)O PB25614 [0,0,0,0,0,1|1,0,1]=3 26 B13R2.435 C1=C(N=C2=CN=CN=C21)C(=O)O PB33303 [0,0,0,0,0,1|1,0,2]=4 27 B13R2.435 C1C=CN=C2C1=NC(=C2)C(=O)O PB19071 [0,0,0,0,0,1|2,0,1]=4 28 B13R2.435 c1cc2c(cc(s2)C(=O)O)nc1 PB10995 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.435 c1cc2cc(nn2nc1)C(=O)O PB21267 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.435 c1cc2cc(sc2nc1)C(=O)O PB30897 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O AB00533 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.435 c1cn2cc(nc2cn1)C(=O)O AB45687 [0,0,0,0,0,1|2,0,1]=4 33 B13R2.435 c1cnc2nc(cn2c1)C(=O)O AB14500 [0,0,0,0,0,1|2,0,1]=4 34 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)O AB42954 [0,1,0,0,0,1|1,1,0]=4 35 B14R2.601 c1cc2=NC(=O)N=c2cc1C(=O)O AB08410 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.601 c1cc2c(cc1C(=O)O)nc(o2)S AB10621 [0,1,0,0,0,1|1,1,0]=4 37 B14R2.601 c1cc2c(cc1C(=O)O)nc(s2)Cl AB85384 [0,1,0,0,0,1|1,0,0]=3 38 B14R2.601 c1cc2c(cc1C(=O)O)nc(s2)S AB08361 [0,1,0,0,0,1|1,0,0]=3 39 B14R2.601 c1cc2c(cc1C(=O)O)oc(n2)S AB49800 [0,1,0,0,0,1|1,1,0]=4 40 B14R2.601 c1cc2c(cc1C(=O)O)sc(n2)S AB09142 [0,1,0,0,0,1|1,0,0]=3 41 B14R2.966 COC(=O)C1=CN=C2C=CN=C2C1 PB22248 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.966 COC(=O)C1=NC=C2C=CN=C2C1 PB30331 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.966 COC(=O)c1ccc2c(c1)N=CC2 PB18468 [0,1,0,0,0,1|2,0,0]=4 44 B14R2.966 COC(=O)c1ccc2c(c1)ncs2 AB66619 [0,1,0,0,0,1|1,0,0]=3 45 B14R2.966 COC(=O)c1ccc2c(n1)N=CC2 PB16753 [0,1,0,0,0,1|1,0,1]=4 46 B14R2.966 COC(=O)c1ncc2c(n1)N=CC2 PB31168 [0,1,0,0,0,1|1,0,1]=4 47 B14R2.5998 c1csc2c1ncc(c2Cl)C(=O)O PB20249 [0,1,0,0,0,1|1,0,1]=4 48 B14R2.450 Cn1c(cc2c1ncnc2)C(=O)O PB37968 [0,1,0,0,0,1|1,0,0]=3 49 B14R2.4529 C1C=C2C=C(N=C2N=C1Br)C(=O)O PB15426 [0,1,0,0,0,1|1,0,1]=4 50 B14R2.4529 C1C=C2C=C(N=C2N=C1Cl)C(=O)O PB31418 [0,1,0,0,0,1|1,0,1]=4 51 B14R2.4529 c1c2cc(sc2ncc1Br)C(=O)O PB24309 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.7969 c1c2c(c(ncn2)Cl)sc1C(=O)O PB31598 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.7969 c1c2c(ncnc2Cl)sc1C(=O)O PB19719 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.23 c1cc(sc1)C(C(=O)O)N AB00429 [0,0,1,0,1,0|1,0,1]=4 55 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N AB03043 [0,0,1,0,1,0|1,0,1]=4 56 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N AB02992 [0,0,1,0,1,0|1,0,1]=4 57 B10R1.64 Cc1c(scn1)CC(=O)O AB09733 [0,0,1,0,1,0|1,0,1]=4 58 B12R2.44 C1C=C(C=C2C1=NC=C2)C=O AB10798 [1,0,0,0,0,1|2,0,0]=4 59 B12R2.44 C1C=C(C=C2C1=NC=N2)C=O AB48780 [1,0,0,0,0,1|2,0,0]=4 60 B12R2.44 C1C=C2C=CN=C2C=C1C=O AB11369 [1,0,0,0,0,1|2,0,0]=4 61 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [1,0,0,0,0,1|2,0,0]=4 62 B14R2.781 c1cc(cc2c1ccnc2)C(=O)O MB08772 [0,0,0,0,0,2|2,0,0]=4 63 B14R2.781 c1cc(nc2c1ccnc2)C(=O)O AB64278 [0,0,0,0,0,2|1,0,1]=4 64 B14R2.781 c1cc2c(cc(cn2)C(=O)O)nc1 AB66652 [0,0,0,0,0,2|2,0,0]=4 65 B14R2.781 c1cc2c(cc1C(=O)O)cncn2 PB28286 [0,0,0,0,0,2|2,0,0]=4 66 B14R2.781 c1cc2cc(cnc2nc1)C(=O)O AB23694 [0,0,0,0,0,2|1,0,1]=4 67 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O MB00424 [0,0,0,0,0,2|2,0,0]=4 68 B14R2.781 c1cc2cnccc2cc1C(=O)O PB31447 [0,0,0,0,0,2|2,0,0]=4 69 B14R2.781 c1cc2cncnc2cc1C(=O)O PB31828 [0,0,0,0,0,2|2,0,0]=4 70 B14R2.781 c1cncc2c1cc(nc2)C(=O)O PB22836 [0,0,0,0,0,2|1,0,1]=4