0 B12R2.252 c1c(nn2c1N=CC2)C(=O)O AB55663 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.430 B(c1ccc2c(c1)cco2)(O)O AB17219 [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|3,0,0]=4 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|1,0,1]=3 5 B13R2.430 C1C=C2C(=CN=N2)N=C1C(=O)O PB11748 [0,0,0,0,0,1|2,0,1]=4 6 B13R2.430 C1C=C2C=CN=C2C=C1C(=O)O PB12137 [0,0,0,0,0,1|2,0,0]=3 7 B13R2.430 C1C=C2C=CN=C2N=C1C(=O)O PB10537 [0,0,0,0,0,1|2,0,1]=4 8 B13R2.430 c1c(cnc2=CCN=c21)C(=O)O PB16180 [0,0,0,0,0,1|1,0,2]=4 9 B13R2.430 c1c(cnc2=NCC=c21)C(=O)O PB20248 [0,0,0,0,0,1|2,0,1]=4 10 B13R2.430 c1c(cnc2c1OCO2)C(=O)O AB73665 [0,0,0,0,0,1|1,0,2]=4 11 B13R2.430 c1c2=CCN=c2cnc1C(=O)O AB60343 [0,0,0,0,0,1|2,0,1]=4 12 B13R2.430 c1c2=NCC=c2cnc1C(=O)O PB23904 [0,0,0,0,0,1|1,0,2]=4 13 B13R2.430 c1cc(cc2c1cco2)C(=O)O MB01639 [0,0,0,0,0,1|1,0,0]=2 14 B13R2.430 c1cc2c(cc1C(=O)O)cno2 AB70277 [0,0,0,0,0,1|2,0,0]=3 15 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 AB29416 [0,0,0,0,0,1|2,1,0]=4 16 B13R2.430 c1cc2c(cc1C(=O)O)scn2 AB03450 [0,0,0,0,0,1|2,1,0]=4 17 B13R2.430 c1cc2c(cco2)cc1C(=O)O MB01638 [0,0,0,0,0,1|1,0,0]=2 18 B13R2.430 c1cc2c(cco2)cc1[N+](=O)[O-] AB06048 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.430 c1cc2c(ccs2)cc1C(=O)O MB03434 [0,0,0,0,0,1|1,1,0]=3 20 B13R2.430 c1cc2nccn2cc1C(=O)O PB10400 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 c1cc2nccn2nc1C(=O)O PB34569 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.430 c1cn2cc(cnc2n1)C(=O)O AB61246 [0,0,0,0,0,1|3,0,0]=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|2,0,1]=4 25 B13R2.430 c1csc2c1ncc(c2)C(=O)O PB25614 [0,0,0,0,0,1|0,1,1]=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 C1=CC2C=C(N=C2C=C1)C(=O)O AB00454 [0,0,0,0,0,1|1,0,2]=4 28 B13R2.435 C1C=C2C(=CC(=N2)C(=O)O)C=N1 PB29651 [0,0,0,0,0,1|1,0,2]=4 29 B13R2.435 C1C=CN=C2C1=NC(=C2)C(=O)O PB19071 [0,0,0,0,0,1|1,0,1]=3 30 B13R2.435 c1cc2c(cc(s2)C(=O)O)nc1 PB10995 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.435 c1cc2cc(nn2nc1)C(=O)O PB21267 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.435 c1cc2cc(sc2nc1)C(=O)O PB30897 [0,0,0,0,0,1|2,0,0]=3 33 B13R2.435 c1cc2nc(cn2nc1)C(=O)O PB31035 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O AB00533 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O AB28059 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O PB19998 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)O AB28488 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.435 c1ccn2cc(cc2c1)C(=O)O AB05495 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.435 c1ccn2cc(nc2c1)C(=O)O AB14484 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.435 c1cn2cc(nc2cn1)C(=O)O AB45687 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.435 c1cnc2cc(nn2c1)C(=O)O AB05942 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.435 c1cnc2nc(cn2c1)C(=O)O AB14500 [0,0,0,0,0,1|2,0,1]=4 43 B12R1.298 c1cc(oc1)CC(CN)C(=O)O AB35651 [0,1,1,0,0,0|0,0,2]=4 44 B12R1.298 c1cc(oc1)C[C@@H](CN)C(=O)O AB35653 [0,1,1,0,0,0|0,0,2]=4 45 B12R1.298 c1cc(oc1)C[C@H](CN)C(=O)O AB35656 [0,1,1,0,0,0|0,0,2]=4 46 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)O AB42954 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.601 c1cc2c(cc1C(=O)O)nc(o2)S AB10621 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.601 c1cc2c(cc1C(=O)O)oc(n2)S AB49800 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.5719 Cn1ccc2c1ncc(c2)C(=O)O PB25330 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.5998 c1csc2c1ncc(c2Cl)C(=O)O PB20249 [0,1,0,0,0,1|0,1,1]=4 51 B14R2.450 Cn1c(cc2c1ncnc2)C(=O)O PB37968 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.450 Cn1c2ccccc2nc1C(=O)O AB09980 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.4529 C1=C2C(=CC(=N2)C(=O)O)N=CC1Br PB16784 [0,1,0,0,0,1|1,0,1]=4 54 B14R2.4529 C1=C2C(=CC(=N2)C(=O)O)N=CC1Cl PB13813 [0,1,0,0,0,1|1,0,1]=4 55 B14R2.4529 C1C=C(C=C2C1=NC(=C2)C(=O)O)N CB11144 [0,1,0,0,0,1|1,0,1]=4 56 B14R2.4529 C1C=C2C(=CC(=N2)C(=O)O)N=C1Br PB19626 [0,1,0,0,0,1|1,0,1]=4 57 B14R2.4529 C1C=C2C(=CC(=N2)C(=O)O)N=C1Cl PB19602 [0,1,0,0,0,1|1,0,1]=4 58 B14R2.4529 C1C=C2C=C(N=C2C=C1Br)C(=O)O PB19991 [0,1,0,0,0,1|1,0,1]=4 59 B14R2.4529 Cc1ccc2c(c1)cc(o2)C(=O)O MB02658 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O MB05116 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.4529 c1c2cc(sc2ncc1Br)C(=O)O PB24309 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br MB02552 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br PB14483 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O MB00634 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O MB00499 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.4529 c1cc2c(cc1F)cc(o2)C(=O)O MB06881 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.7969 C1C=CC(=C2C1=NC(=C2)C(=O)O)Br MB02441 [0,1,0,0,0,1|1,0,1]=4 68 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)O MB09960 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.7969 c1c2c(c(ncn2)Cl)sc1C(=O)O PB31598 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br PB18598 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.7969 c1cc2cc(oc2c(c1)Br)C(=O)O MB08955 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.7969 c1cc2cc(sc2c(c1)Br)C(=O)O PB28381 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.7969 c1cnc2cc(sc2c1Cl)C(=O)O PB15103 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.23 c1cc(oc1)C(C(=O)O)N AB01510 [0,0,1,0,1,0|0,0,1]=3 75 B10R1.23 c1cc(oc1)[C@@H](C(=O)O)N AB14778 [0,0,1,0,1,0|0,0,1]=3 76 B10R1.23 c1cc(oc1)[C@H](C(=O)O)N AB14775 [0,0,1,0,1,0|0,0,1]=3 77 B10R1.23 c1cc(sc1)C(C(=O)O)N AB00429 [0,0,1,0,1,0|0,1,1]=4 78 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N AB03043 [0,0,1,0,1,0|0,1,1]=4 79 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N AB02992 [0,0,1,0,1,0|0,1,1]=4 80 B12R1.11 c1c(cc(cc1C(=O)O)O)C=O AB71639 [0,0,1,0,0,1|2,0,0]=4 81 B12R1.11 c1c(cc(nc1C=O)C(=O)O)O AB79340 [0,0,1,0,0,1|1,0,1]=4 82 B12R1.11 c1c(cc(nc1C=O)O)C(=O)O AB79599 [0,0,1,0,0,1|2,0,0]=4 83 B12R1.48 c1c(c(cnc1C(=O)O)C=O)O AB75433 [0,0,1,0,0,1|1,0,1]=4 84 B12R1.48 c1c(cnc(c1O)C=O)C(=O)O AB84590 [0,0,1,0,0,1|1,0,1]=4 85 B12R1.56 c1c(c(cnc1C(=O)O)O)C=O AB84408 [0,0,1,0,0,1|2,0,0]=4 86 B12R1.56 c1c(cnc(c1C=O)O)C(=O)O AB84521 [0,0,1,0,0,1|2,0,0]=4 87 B12R1.56 c1cc(nc(c1O)C=O)C(=O)O AB84568 [0,0,1,0,0,1|1,0,1]=4 88 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,0,1,0,0,1|2,0,0]=4 89 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [1,0,0,0,0,1|2,0,0]=4 90 B12R2.44 C1C=C(C=C2C1=NC=C2)C=O AB10798 [1,0,0,0,0,1|2,0,0]=4 91 B12R2.44 C1C=C2C=CN=C2C=C1C=O AB11369 [1,0,0,0,0,1|2,0,0]=4 92 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [1,0,0,0,0,1|1,0,0]=3 93 B12R2.44 c1cc2c(cc1C=O)cno2 AB70274 [1,0,0,0,0,1|2,0,0]=4 94 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [1,0,0,0,0,1|1,0,0]=3 95 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [1,0,0,0,0,1|1,0,1]=4 96 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [1,0,0,0,0,1|1,1,0]=4 97 B14R2.781 c1cc(cc2c1ccnc2)C(=O)O MB08772 [0,0,0,0,0,2|2,0,0]=4 98 B14R2.781 c1cc(nc2c1ccnc2)C(=O)O AB64278 [0,0,0,0,0,2|1,0,1]=4 99 B14R2.781 c1cc(nc2c1cncc2)C(=O)O AB04742 [0,0,0,0,0,2|1,0,1]=4 100 B14R2.781 c1cc2c(cc(cn2)C(=O)O)nc1 AB66652 [0,0,0,0,0,2|1,0,1]=4 101 B14R2.781 c1cc2c(cc1C(=O)O)C=CCO2 AB72151 [0,0,0,0,0,2|1,0,0]=3 102 B14R2.781 c1cc2c(cc1C(=O)O)cncn2 PB28286 [0,0,0,0,0,2|2,0,0]=4 103 B14R2.781 c1cc2c(ccc(n2)C(=O)O)nc1 PB30868 [0,0,0,0,0,2|1,0,1]=4 104 B14R2.781 c1cc2cc(cnc2nc1)C(=O)O AB23694 [0,0,0,0,0,2|1,0,1]=4 105 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O MB00424 [0,0,0,0,0,2|2,0,0]=4 106 B14R2.781 c1cc2cnccc2cc1C(=O)O PB31447 [0,0,0,0,0,2|2,0,0]=4 107 B14R2.781 c1cc2cncnc2cc1C(=O)O PB31828 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.781 c1ccc2c(c1)C=C(CO2)C(=O)O AB04721 [0,0,0,0,0,2|2,0,0]=4 109 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O AB00802 [0,0,0,0,0,2|1,0,1]=4 110 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O CB10089 [0,0,0,0,0,2|1,0,1]=4 111 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O AB02856 [0,0,0,0,0,2|1,0,1]=4 112 B14R2.781 c1cncc2c1cc(nc2)C(=O)O PB22836 [0,0,0,0,0,2|1,0,1]=4