0 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.351 C[C@H](C(=O)[O-])\N=C/c1ccccc1 AB72141 [0,1,0,0,0,0|3,0,0]=4 2 B13R1.718 c1ccc(cc1)CONC(=O)CN AB24869 [0,1,0,0,0,0|2,0,1]=4 3 B13R2.10 CC1=NN=C(C1)c2ccccc2 AB01314 [0,0,0,1,0,0|2,0,1]=4 4 B13R2.10 c1cc(cnc1)C2=NN=C(C2)N AB27815 [0,0,0,1,0,0|2,0,1]=4 5 B13R2.10 c1cc(cnc1)c2csc(n2)N AB04913 [0,0,0,1,0,0|3,0,0]=4 6 B13R2.10 c1cc(cnc1)c2nc(no2)N CB11338 [0,0,0,1,0,0|2,0,1]=4 7 B13R2.10 c1cc(cnc1)c2nc(on2)Cl AB66323 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.10 c1ccc(cc1)C2=NC(=NC2)Cl AB53090 [0,0,0,1,0,0|2,0,1]=4 9 B13R2.10 c1ccc(cc1)C2=NC(=NC2)N AB41897 [0,0,0,1,0,0|1,0,1]=3 10 B13R2.10 c1ccc(cc1)C2=NC(=NC2)O AB53088 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.10 c1ccc(cc1)c2[nH]cc(n2)N AB60592 [0,0,0,1,0,0|1,0,1]=3 12 B13R2.10 c1ccc(cc1)c2[nH]nc(n2)N CB10214 [0,0,0,1,0,0|0,0,2]=3 13 B13R2.10 c1ccc(cc1)c2[nH]nc(n2)S MB00459 [0,0,0,1,0,0|1,0,2]=4 14 B13R2.10 c1ccc(cc1)c2cc(on2)Br AB51245 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.10 c1ccc(cc1)c2cnc(o2)N AB03235 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.10 c1ccc(cc1)c2cnc(s2)N AB01318 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.10 c1ccc(cc1)c2coc(n2)Br AB66370 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.10 c1ccc(cc1)c2coc(n2)Cl AB64580 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.10 c1ccc(cc1)c2coc(n2)N AB68293 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.10 c1ccc(cc1)c2nc(cs2)Br MB09502 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.10 c1ccc(cc1)c2nc(no2)Cl AB71697 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.10 c1ccc(cc1)c2nc(on2)Cl AB55659 [0,0,0,1,0,0|2,0,0]=3 23 B13R2.10 c1ccc(cc1)c2ncc(s2)Br MB01302 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.10 c1ccc(cc1)c2nnc(o2)Br AB26763 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.10 c1ccc(cc1)c2nnc(o2)Cl AB06506 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.10 c1ccc(cc1)c2nnc(o2)N MB00695 [0,0,0,1,0,0|1,0,1]=3 27 B13R2.10 c1ccc(cc1)c2nnc(s2)Br AB45010 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.10 c1ccc(cc1)c2nnc(s2)Cl AB08290 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.10 c1ccc(cc1)n2cc(cn2)N AB06588 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.10 c1ccnc(c1)C2=NN=C(C2)N AB27820 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.10 c1ccnc(c1)c2csc(n2)N AB06091 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.10 c1cnccc1C2=NN=C(C2)N AB27814 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.10 c1cnccc1c2csc(n2)N AB06343 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.10 c1cnccc1c2nc(cs2)N AB27576 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.72 CC(=O)n1c2ccccc2cn1 MB14951 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.72 CC(=O)n1c2cccnc2cn1 AB76132 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,0,0,0,1,0|1,0,1]=3 40 B12R1.21 c1cc(ccc1CNC(=N)N)N AB48587 [0,1,0,0,1,0|0,0,1]=3 41 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.125 c1ccc(c(c1)CNC(=N)N)N AB54835 [0,1,0,0,1,0|0,0,1]=3 43 B12R1.226 c1cc(cc(c1)N)CNC(=N)N AB54828 [0,1,0,0,1,0|0,0,1]=3 44 B12R2.2 c1cc(cnc1)c2[nH]ccn2 AB45643 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.2 c1ccnc(c1)c2[nH]ccn2 AB22499 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.2 c1cnccc1c2[nH]ccn2 AB45833 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.1081 c1ccc2c(c1)cnnc2Cl AB01425 [1,0,0,1,0,0|1,0,1]=4 50 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [1,0,0,1,0,0|1,0,1]=4 51 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,0,0,1,1,0|2,0,0]=4 52 B12R2.24 c1cc(nc2c1cncc2)N MB01025 [0,0,0,1,1,0|2,0,0]=4 53 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [0,0,0,1,1,0|2,0,0]=4 54 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [0,0,0,1,1,0|2,0,0]=4 55 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [0,0,0,1,1,0|2,0,0]=4 56 B12R2.24 c1cc2cnc(nc2nc1)Cl PB31117 [0,0,0,1,1,0|2,0,0]=4 57 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,1,1,0|1,0,0]=3 58 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [0,0,0,1,1,0|2,0,0]=4 59 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [0,0,0,1,1,0|2,0,0]=4 60 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [0,0,0,1,1,0|1,0,0]=3 61 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [0,0,0,1,1,0|0,0,0]=2 62 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [0,0,0,1,1,0|2,0,0]=4 63 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [0,0,0,1,1,0|1,0,0]=3 64 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [0,0,0,1,1,0|2,0,0]=4 65 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [0,0,0,1,1,0|2,0,0]=4 66 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [0,0,0,1,1,0|1,0,0]=3 67 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,0,0,1,1,0|2,0,0]=4 68 B12R2.24 c1cncc2c1cnc(n2)Cl PB11204 [0,0,0,1,1,0|2,0,0]=4 69 B14R2.2 c1ccc2c(c1)cnn2CC(=O)O AB12761 [0,0,0,1,0,1|2,0,0]=4 70 B14R2.19 c1ccc(cc1)Cc2[nH]c(cn2)Cl AB58135 [0,0,0,1,0,1|2,0,0]=4 71 B14R2.19 c1ccc(cc1)Cc2nnc(o2)N AB04199 [0,0,0,1,0,1|1,0,1]=4 72 B14R2.19 c1ccc(cc1)Cc2nnc(s2)N AB06600 [0,0,0,1,0,1|1,0,1]=4 73 B14R2.21 c1ccc(cc1)c2cc(ccn2)N AB09616 [0,0,0,1,0,1|2,0,0]=4 74 B14R2.21 c1ccc(cc1)c2cc(cnc2)N AB17997 [0,0,0,1,0,1|2,0,0]=4 75 B14R2.21 c1ccc(cc1)c2cccc(n2)N AB05274 [0,0,0,1,0,1|2,0,0]=4 76 B14R2.21 c1ccc(cc1)c2cncc(n2)Br AB64008 [0,0,0,1,0,1|2,0,0]=4 77 B14R2.21 c1ccc(cc1)c2cncc(n2)Cl AB16842 [0,0,0,1,0,1|2,0,0]=4 78 B14R2.21 c1ccc(cc1)c2cncc(n2)N AB60545 [0,0,0,1,0,1|1,0,0]=3 79 B14R2.21 c1ccc(cc1)c2nccc(n2)Br MB01047 [0,0,0,1,0,1|2,0,0]=4 80 B14R2.21 c1ccc(cc1)c2nccc(n2)Cl PB24644 [0,0,0,1,0,1|2,0,0]=4 81 B14R2.21 c1ccc(cc1)c2nccc(n2)O AB05266 [0,0,0,1,0,1|2,0,0]=4 82 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=N)N AB60894 [0,0,0,1,0,1|2,0,0]=4 83 B14R2.31359 c1ccc2c(c1)cccc2C(=N)N AB18265 [0,0,0,1,0,1|2,0,0]=4 84 B14R2.31359 c1ccc2c(c1)ccnc2C(=S)N AB28167 [0,0,0,1,0,1|2,0,0]=4 85 B14R2.31359 c1ccc2c(c1)cncc2C(=S)N AB28152 [0,0,0,1,0,1|2,0,0]=4 86 B14R2.68 c1ccc(cc1)c2ccc(cn2)N AB17970 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.68 c1ccc(cc1)c2ccc(nc2)N AB09769 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.68 c1ccc(cc1)c2cnc(cn2)Br AB63082 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.68 c1ccc(cc1)c2cnc(cn2)N AB09615 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.68 c1ccc(cc1)c2cnc(nc2)N AB09623 [0,1,0,1,0,0|1,0,1]=4 91 B14R2.68 c1ccc(cc1)c2cnc(nn2)Cl AB52775 [0,1,0,1,0,0|1,0,1]=4 92 B14R2.68 c1ccc(cc1)c2ncc(cn2)Br AB55842 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.68 c1ccc(cc1)c2ncc(cn2)O AB56445 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.22 Cc1cccc(c1)C2=NN=C(C2)N AB12109 [0,1,0,1,0,0|1,0,1]=4 95 B14R2.22 Cc1cccc(c1)c2[nH]c(cn2)Cl AB58124 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.22 c1cc(cc(c1)Br)C2=NN=C(C2)N AB27821 [0,1,0,1,0,0|1,0,1]=4 97 B14R2.22 c1cc(cc(c1)Br)c2csc(n2)N AB04272 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.22 c1cc(cc(c1)Br)c2nc(on2)Cl AB66329 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.22 c1cc(cc(c1)Cl)C2=NN=C(C2)N AB12106 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.22 c1cc(cc(c1)Cl)c2[nH]c(cn2)Cl AB58123 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.22 c1cc(cc(c1)Cl)c2csc(n2)N AB12103 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.22 c1cc(cc(c1)Cl)c2nc(on2)Cl AB66332 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.22 c1cc(cc(c1)F)C2=NN=C(C2)N AB27828 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.22 c1cc(cc(c1)F)c2[nH]c(cn2)Cl AB58116 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.22 c1cc(cc(c1)F)c2csc(n2)N AB13310 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.22 c1cc(cc(c1)F)c2nc(on2)Cl AB66337 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.22 c1cc(cc(c1)I)C2=NN=C(C2)N AB12108 [0,1,0,1,0,0|1,0,1]=4 108 B14R2.260 CC1=NC(=NC1Cl)c2ccccc2 AB58140 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.20 Cc1[nH]c(nn1)c2ccc(cc2)N AB28119 [0,1,0,1,0,0|1,0,1]=4 110 B14R2.20 Cc1ccc(cc1)C2=NN=C(C2)N AB03162 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.20 Cc1ccc(cc1)c2csc(n2)N AB04274 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.20 c1cc(ccc1C2=NN=C(C2)N)Br AB06452 [0,1,0,1,0,0|1,0,1]=4 113 B14R2.20 c1cc(ccc1C2=NN=C(C2)N)Cl AB02235 [0,1,0,1,0,0|1,0,1]=4 114 B14R2.20 c1cc(ccc1C2=NN=C(C2)N)F AB07983 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.20 c1cc(ccc1C2=NN=C(C2)N)I AB08228 [0,1,0,1,0,0|1,0,1]=4 116 B14R2.20 c1cc(ccc1C2=NN=C(C2)N)N AB06427 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.20 c1cc(ccc1c2[nH]c(cn2)Cl)Cl AB58113 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.20 c1cc(ccc1c2coc(n2)N)F AB68301 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.20 c1cc(ccc1c2csc(n2)N)Br AB02157 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.20 c1cc(ccc1c2csc(n2)N)Cl AB02022 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.20 c1cc(ccc1c2csc(n2)N)F AB08236 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.20 c1cc(ccc1c2nc(on2)Cl)Br AB66334 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.20 c1cc(ccc1c2nc(on2)Cl)Cl AB66325 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.20 c1cc(ccc1c2nc(on2)Cl)F AB66320 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.20 c1cc(ccc1c2nnc(o2)N)F AB10659 [0,1,0,1,0,0|1,0,1]=4 126 B14R2.20 c1cc(ccc1c2nnc(s2)N)F AB07890 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.8 c1ccc(cc1)C2=NC(=NC2)CN AB28334 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.8 c1ccc(cc1)C2=NC(=NC2)CN AB57926 [0,1,0,1,0,0|1,0,1]=4 129 B14R2.8 c1ccc(cc1)c2[nH]c(cn2)C=O AB05027 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.8 c1ccc(cc1)c2[nH]c(cn2)CCl AB69872 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.8 c1ccc(cc1)c2[nH]c(cn2)CN AB57924 [0,1,0,1,0,0|1,0,1]=4 132 B14R2.8 c1ccc(cc1)c2[nH]c(cn2)CO AB56102 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.8 c1ccc(cc1)c2[nH]c(nn2)C=O AB57370 [0,1,0,1,0,0|1,0,1]=4 134 B14R2.8 c1ccc(cc1)c2[nH]c(nn2)CN AB46084 [0,1,0,1,0,0|0,0,2]=4 135 B14R2.8 c1ccc(cc1)c2cc(on2)CN AB16807 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.8 c1ccc(cc1)c2csc(n2)CN AB21613 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.8 c1ccc(cc1)c2csc(n2)NN AB09653 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.8 c1ccc(cc1)c2nc(co2)CN AB27391 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.8 c1ccc(cc1)c2nc(no2)CN AB30916 [0,1,0,1,0,0|1,0,1]=4 140 B14R2.8 c1ccc(cc1)c2nc(on2)C=O AB43144 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.8 c1ccc(cc1)c2nc(on2)CCl AB06391 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.8 c1ccc(cc1)c2nc(on2)CN AB23013 [0,1,0,1,0,0|1,0,0]=3 143 B14R2.8 c1ccc(cc1)c2ncc(s2)CN AB12709 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.8 c1ccc(cc1)c2ncc(s2)CN AB13771 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.8 c1ccc(cc1)c2nnc(o2)CN AB25333 [0,1,0,1,0,0|1,0,1]=4 146 B14R2.8 c1ccc(cc1)c2nnc(s2)CN AB72804 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,2,0|0,0,1]=3 148 B10R1.18 c1cnc(nc1)NC(=N)N AB52859 [0,0,0,0,2,0|2,0,0]=4