0 B12R2.1081 Cc1ccnc2c1nccn2 CUR-0099920 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 c1cc(c2cccnc2c1)N CUR-0027316 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 c1cc2c(cncc2Br)nc1 CUR-0096847 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.1081 c1cc2cccnc2c(c1)N CUR-0018098 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.1081 c1cc2cccnc2c(c1)O CUR-0004662 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.1081 c1cc2cccnc2c(c1)S CUR-0153410 [0,0,0,0,0,0|0,1,0]=1 6 B12R2.1081 c1cc2cncc(c2nc1)Br CUR-0096850 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 c1cc2cncc(c2nc1)N CUR-0096889 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.1081 c1cc2cnccc2c(c1)Br CUR-0003720 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.1081 c1ccc2c(c1)c(=O)[nH]cn2 CUR-0109513 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl CUR-0102703 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.1081 c1ccc2c(c1)c(ccn2)N CUR-0099166 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 c1ccc2c(c1)c(cnn2)Cl CUR-0008964 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.1081 c1ccc2c(c1)c(ncn2)S CUR-0095432 [0,0,0,0,0,0|3,1,0]=4 14 B12R2.1081 c1ccc2c(c1)cccc2Br CUR-0103553 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.1081 c1ccc2c(c1)cccc2N CUR-0001627 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.1081 c1ccc2c(c1)cccc2O CUR-0005044 [0,0,0,0,0,0|1,0,0]=1 17 B12R2.1081 c1ccc2c(c1)ccnc2Cl CUR-0062103 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.1081 c1ccc2c(c1)ccnc2N CUR-0075570 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O CUR-0102274 [0,0,0,0,0,0|3,0,1]=4 20 B11R2.20 c1cc2c(nc1)nccn2 CUR-0099918 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.20 c1ccc2c(c1)cccn2 CUR-0021437 [1,0,0,0,0,0|0,0,0]=1 22 B11R2.20 c1ccc2c(c1)nccn2 CUR-0101962 [1,0,0,0,0,0|1,0,0]=2 23 B11R2.20 c1ccc2ccccc2c1 CUR-0000496 [1,0,0,0,0,0|1,0,0]=2 24 B11R2.20 c1ccc2cnccc2c1 CUR-0013173 [1,0,0,0,0,0|2,0,0]=3 25 B13R2.32 Cc1c(cnc2c1nccc2)Br CUR-0120433 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.32 c1cc2c(c(c(cn2)Br)N)nc1 CUR-0096887 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.32 c1cc2c(c(cnc2nc1)I)O CUR-0155205 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N CUR-0099132 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.162 Cc1ccc2cccc(c2n1)N CUR-0096419 [0,1,0,0,0,0|1,0,0]=2 30 B13R2.162 Cc1ccc2cccc(c2n1)O CUR-0102597 [0,1,0,0,0,0|0,0,0]=1 31 B13R2.162 Cc1ccnc2c1cc(cc2)Br CUR-0100020 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N CUR-0098721 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O CUR-0018995 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.162 c1cc2c(cc1F)c(ccn2)N CUR-0098726 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.162 c1cc2c(cc1F)c(ccn2)O CUR-0098725 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.162 c1cc2c(cc1N)c(=O)cco2 CUR-0097283 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.162 c1cc2ccc(nc2c(c1)Br)Br CUR-0071725 [0,1,0,0,0,0|1,0,0]=2 38 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Br CUR-0071720 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.162 c1cc2ccc(nc2c(c1)N)Cl CUR-0099595 [0,1,0,0,0,0|1,0,0]=2 40 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 CUR-0100838 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.328 Cc1cc(c2ccccc2n1)Cl CUR-0029186 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.328 Cc1cc(c2ccccc2n1)N CUR-0102580 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.328 Cc1cc(nc2c1cccc2)Cl CUR-0096133 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.328 Cc1cc(nc2c1nccc2)Cl CUR-0096919 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.328 Cc1cc(nc2c1nccc2)N CUR-0096918 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.328 Cc1cc2cccnc2c(n1)Cl CUR-0120603 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.328 Cc1cc2cccnc2c(n1)N CUR-0120001 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O CUR-0018472 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O CUR-0012673 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.342 c1cc2c(c(c1)O)CCNC2=O CUR-0097596 [0,1,0,0,0,0|2,0,1]=4 51 B13R2.342 c1cc2c(ccnc2O)c(c1)O CUR-0097610 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.342 c1cc2c(ccnc2c(c1)Cl)O CUR-0099858 [0,1,0,0,0,0|1,0,0]=2 53 B13R2.342 c1cc2c(ccnc2c(c1)F)Cl CUR-0097285 [0,1,0,0,0,0|1,0,0]=2 54 B13R2.342 c1cc2c(ccnc2c(c1)F)N CUR-0097286 [0,1,0,0,0,0|1,0,0]=2 55 B13R2.342 c1cc2c(ccnc2c(c1)F)O CUR-0098718 [0,1,0,0,0,0|1,0,0]=2 56 B13R2.371 c1cc2c(c(cnc2N)Br)nc1 CUR-0096906 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.371 c1cc2c(ccc(c2nc1)O)Cl CUR-0103055 [0,1,0,0,0,0|0,0,0]=1 58 B13R2.371 c1cc2c(cnc(c2nc1)Cl)Br CUR-0096846 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.371 c1cc2c(cnc(c2nc1)N)Br CUR-0096844 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.371 c1cc2c(cnc(c2nc1)O)Br CUR-0096845 [0,1,0,0,0,0|1,0,0]=2 61 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O CUR-0102568 [0,1,0,0,0,0|1,0,1]=3 62 B13R2.371 c1ccc2c(c1)c(cnc2Br)N CUR-0155156 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.371 c1ccc2c(c1)c(cnc2N)N CUR-0155158 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.1613 COc1cccc2c1nccc2 CUR-0099172 [0,1,0,0,0,0|0,0,0]=1 65 B13R2.1613 c1cc(c2c(c1)nccn2)C=O CUR-0095434 [0,1,0,0,0,0|1,0,1]=3 66 B13R2.1613 c1cc2cccnc2c(c1)C=O CUR-0095433 [0,1,0,0,0,0|0,0,1]=2 67 B13R2.1613 c1cc2cccnc2c(c1)NN CUR-0100698 [0,1,0,0,0,0|1,0,0]=2 68 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O CUR-0102556 [0,1,0,0,0,0|2,0,1]=4 69 B13R2.1613 c1ccc2c(c1)cccc2C=O CUR-0102541 [0,1,0,0,0,0|1,0,1]=3 70 B13R2.1613 c1ccc2c(c1)cccc2CCl CUR-0103012 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.1613 c1cnc2c(c1C=O)nccn2 CUR-0096842 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.5179 c1c2cncc(c2ncc1Br)Br CUR-0153510 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.5179 c1c2cncc(c2ncc1N)N CUR-0122262 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Br CUR-0011151 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Cl CUR-0008913 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.5179 c1cc2c(ccnc2cc1Cl)N CUR-0031452 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.5179 c1cc2cc(cnc2c(c1)Cl)I CUR-0001616 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.16 C=CCC(c1ccccn1)O CUR-0056692 [0,0,1,0,0,0|0,0,2]=3 79 B11R1.16 c1ccc(cc1)C(=O)C=C[O-] CUR-0016463 [0,0,1,0,0,0|2,0,1]=4 80 B11R1.53 c1ccc(c(c1)C=O)C(=O)O CUR-0005666 [0,0,1,0,0,0|3,0,0]=4 81 B11R2.106 Cc1cccc2c1[nH]cc2 CUR-0001178 [0,0,0,0,1,0|1,0,1]=3 82 B11R2.106 c1cc(c2c(c1)nsn2)N CUR-0095511 [0,0,0,0,1,0|3,0,0]=4 83 B11R2.106 c1cc2c(c(c1)Br)nsn2 CUR-0096703 [0,0,0,0,1,0|3,0,0]=4 84 B11R2.106 c1cnc(c2c1scc2)Cl CUR-0014485 [0,0,0,0,1,0|3,0,0]=4 85 B10R1.4 C=CCc1ccccc1O CUR-0020961 [1,0,1,0,0,0|0,0,1]=3 86 B10R1.17 c1ccc(cc1)\C=C\C#N CUR-0101947 [1,0,1,0,0,0|0,0,2]=4 87 B10R1.17 c1ccc(cc1)\C=C\CCl CUR-0102450 [1,0,1,0,0,0|1,0,1]=4 88 B10R1.61 c1cc(c(nc1)C(=O)O)Br CUR-0096757 [1,0,1,0,0,0|2,0,0]=4 89 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O CUR-0102711 [0,1,1,0,0,0|2,0,0]=4 90 B12R1.226 c1cc(cc(c1)N)\C=C\C(=O)O CUR-0099683 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O CUR-0019388 [0,1,1,0,0,0|2,0,0]=4 92 B12R2.24 Cc1ccc2ccccc2n1 CUR-0018171 [1,1,0,0,0,0|0,0,0]=2 93 B12R2.24 c1cc2c(cc(cn2)N)nc1 CUR-0096886 [1,1,0,0,0,0|1,0,0]=3 94 B12R2.24 c1cc2cc(ccc2nc1)N CUR-0102231 [1,1,0,0,0,0|0,0,0]=2 95 B12R2.24 c1cc2cc(ccc2nc1)O CUR-0102250 [1,1,0,0,0,0|0,0,0]=2 96 B12R2.24 c1cc2cc(cnc2nc1)N CUR-0096861 [1,1,0,0,0,0|1,0,0]=3 97 B12R2.24 c1cc2ccc(cc2nc1)O CUR-0099171 [1,1,0,0,0,0|0,0,0]=2 98 B12R2.24 c1cc2ccc(nc2nc1)Br CUR-0096888 [1,1,0,0,0,0|1,0,0]=3 99 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CUR-0102273 [1,1,0,0,0,0|1,0,0]=3 100 B12R2.24 c1ccc2c(c1)ccc(=O)[n-]2 CUR-0100065 [1,1,0,0,0,0|0,0,1]=3 101 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CUR-0079532 [1,1,0,0,0,0|1,0,0]=3 102 B12R2.24 c1ccc2c(c1)ccc(n2)Cl CUR-0102702 [1,1,0,0,0,0|0,0,0]=2 103 B12R2.24 c1ccc2c(c1)ncc(n2)Br CUR-0027300 [1,1,0,0,0,0|1,0,0]=3 104 B12R2.24 c1ccc2cc(ccc2c1)F CUR-0099326 [1,1,0,0,0,0|1,0,0]=3 105 B12R2.24 c1ccc2cc(ccc2c1)N CUR-0004552 [1,1,0,0,0,0|1,0,0]=3 106 B12R2.24 c1ccc2cc(ccc2c1)O CUR-0012881 [1,1,0,0,0,0|1,0,0]=3 107 B12R2.24 c1ccc2cc(ccc2c1)S CUR-0102619 [1,1,0,0,0,0|1,0,0]=3 108 B12R2.202 Cc1cccc2c1nc(s2)Cl CUR-0096605 [0,1,0,0,1,0|2,0,0]=4 109 B12R2.202 Cc1cccc2c1nc(s2)N CUR-0096637 [0,1,0,0,1,0|2,0,0]=4 110 B12R2.202 c1cc(c2c(c1)sc(n2)Cl)F CUR-0096610 [0,1,0,0,1,0|2,0,0]=4 111 B12R2.202 c1cc(c2c(c1)sc(n2)N)F CUR-0033734 [0,1,0,0,1,0|2,0,0]=4 112 B12R2.202 c1cc2c(c(c1)Br)nc(s2)Cl CUR-0096612 [0,1,0,0,1,0|2,0,0]=4 113 B12R2.202 c1cc2c(c(c1)Br)nc(s2)N CUR-0033746 [0,1,0,0,1,0|2,0,0]=4 114 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)Cl CUR-0096611 [0,1,0,0,1,0|2,0,0]=4 115 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N CUR-0096641 [0,1,0,0,1,0|2,0,0]=4 116 B12R2.315 CCc1cccc2c1[nH]cc2 CUR-0102257 [0,1,0,0,1,0|1,0,1]=4 117 B12R2.315 c1cc(c2cc[nH]c2c1)C#N CUR-0002531 [0,1,0,0,1,0|2,0,0]=4 118 B14R2.203 c1ccc2c(c1)ccc(c2C=O)O CUR-0016887 [0,2,0,0,0,0|1,0,1]=4 119 B14R2.7724 Cc1c(c2cccnc2c(n1)Cl)Br CUR-0096923 [0,2,0,0,0,0|2,0,0]=4 120 B14R2.7724 c1cc2c(cc(c(c2nc1)O)I)I CUR-0104113 [0,2,0,0,0,0|0,0,0]=2 121 B14R2.8038 Cn1ccc2c(c1=O)cccc2O CUR-0097594 [0,2,0,0,0,0|2,0,0]=4 122 B14R2.8188 Cc1c2c(cccn2)nc(c1Br)Cl CUR-0096920 [0,2,0,0,0,0|2,0,0]=4 123 B14R2.8188 Cc1c2c(cccn2)nc(c1Br)N CUR-0096924 [0,2,0,0,0,0|2,0,0]=4 124 B14R2.142 CCc1ccc2c(c1)c(ccn2)O CUR-0123580 [0,2,0,0,0,0|2,0,0]=4 125 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)N CUR-0099859 [0,2,0,0,0,0|1,0,0]=3 126 B14R2.8045 Cc1cc(c2cccc(c2n1)F)N CUR-0098719 [0,2,0,0,0,0|1,0,0]=3 127 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O CUR-0021137 [0,2,0,0,0,0|1,0,0]=3 128 B14R2.1019 COc1cc2cccnc2c(c1)N CUR-0096497 [0,2,0,0,0,0|1,0,0]=3 129 B14R2.29365 Cc1cc2cc(cnc2c(c1)F)I CUR-0021216 [0,2,0,0,0,0|1,0,0]=3 130 B14R2.1078 COc1cccc2c1cc[nH]c2=O CUR-0099638 [0,2,0,0,0,0|2,0,0]=4 131 B14R2.1078 COc1cccc2c1ccnc2Cl CUR-0097667 [0,2,0,0,0,0|2,0,0]=4 132 B14R2.1078 COc1cccc2c1ccnc2S CUR-0098971 [0,2,0,0,0,0|2,0,0]=4 133 B14R2.1131 COc1c2c(cccn2)c(cn1)Br CUR-0096891 [0,2,0,0,0,0|1,0,0]=3 134 B14R2.1131 COc1c2cccnc2c(cn1)Br CUR-0096904 [0,2,0,0,0,0|2,0,0]=4 135 B14R2.1131 c1cc2c(ccc(c2nc1)O)CCl CUR-0011927 [0,2,0,0,0,0|0,0,0]=2 136 B14R2.1131 c1cc2c(cnc(c2nc1)N)C#N CUR-0096903 [0,2,0,0,0,0|2,0,0]=4 137 B14R2.7150 c1cc2cccnc2c(c1)N=[N+]=[N-] CUR-0120888 [0,2,0,0,0,0|1,0,0]=3 138 B14R2.7150 c1ccc2c(c1)cccc2CNN CUR-0024632 [0,2,0,0,0,0|2,0,0]=4 139 B14R2.7150 c1ccc2c(c1)cccc2N=C=O CUR-0102833 [0,2,0,0,0,0|1,0,1]=4 140 B14R2.31359 CC(=O)c1cccc2c1cccc2 CUR-0102853 [0,2,0,0,0,0|1,0,1]=4 141 B14R2.31359 c1cc2c(c(ccn2)C(=O)O)nc1 CUR-0096857 [0,2,0,0,0,0|1,0,0]=3 142 B14R2.31359 c1cc2cccnc2c(c1)[N+](=O)[O-] CUR-0012087 [0,2,0,0,0,0|0,0,1]=3 143 B14R2.31359 c1cc2cncc(c2nc1)C(=O)O CUR-0096851 [0,2,0,0,0,0|1,0,0]=3 144 B14R2.31359 c1ccc2c(c1)cccc2C(=O)O CUR-0101252 [0,2,0,0,0,0|1,0,0]=3 145 B14R2.31359 c1ccc2c(c1)ccnc2C(=O)O CUR-0102922 [0,2,0,0,0,0|2,0,0]=4 146 B14R2.31359 c1ccc2c(c1)cncc2C(=O)O CUR-0102918 [0,2,0,0,0,0|2,0,0]=4 147 B14R2.31359 c1cnc2c(c1C(=O)O)nccn2 CUR-0096841 [0,2,0,0,0,0|2,0,0]=4 148 B14R3.164 c1cc2cccc3c2c(c1)CC3 CUR-0102497 [0,1,0,1,0,0|2,0,0]=4 149 B10R2.7 c1ccc2c(c1)CC=C2 CUR-0101760 [1,0,0,0,1,0|0,0,1]=3 150 B10R2.7 c1ccc2c(c1)[nH]cn2 CUR-0001355 [1,0,0,0,1,0|1,0,0]=3 151 B10R2.7 c1ccc2c(c1)[nH]cn2 CUR-0100600 [1,0,0,0,1,0|1,0,0]=3 152 B10R2.7 c1ccc2c(c1)[nH]nn2 CUR-0006438 [1,0,0,0,1,0|2,0,0]=4 153 B10R2.7 c1ccc2c(c1)cc[nH]2 CUR-0100766 [1,0,0,0,1,0|0,0,1]=3 154 B10R2.7 c1ccc2c(c1)cns2 CUR-0101309 [1,0,0,0,1,0|2,0,0]=4 155 B10R2.7 c1ccc2c(c1)ncs2 CUR-0016195 [1,0,0,0,1,0|1,0,0]=3