0 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.1613 c1cc(c2cccnc2c1)CN AB28304 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.1613 c1cc2cccnc2c(c1)NN AB07874 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.1613 c1cc2ccncc2c(c1)CN AB28224 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.1613 c1cc2cncc(c2nc1)C=O AB28388 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.1613 c1cc2cnccc2c(c1)CN AB56494 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.1613 c1ccc2c(c1)c(ccn2)CN AB11064 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.1613 c1ccc2c(c1)c(ccn2)NN AB05747 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.1613 c1ccc2c(c1)c(ncn2)C#N AB60723 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.1613 c1ccc2c(c1)c(ncn2)C=O AB59129 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.1613 c1ccc2c(c1)c(ncn2)CN AB49444 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.1613 c1ccc2c(c1)ccnc2C#N AB03726 [0,0,0,0,0,0|2,0,1]=3 12 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.1613 c1ccc2c(c1)ccnc2CCl AB51017 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.1613 c1ccc2c(c1)ccnc2CN AB23405 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.1613 c1ccc2c(c1)ccnc2NN AB52996 [0,0,0,0,0,0|1,0,0]=1 16 B13R2.1613 c1ccc2c(c1)cncc2C#N AB07795 [0,0,0,0,0,0|2,0,1]=3 17 B13R2.1613 c1ccc2c(c1)cncc2C=O MB01497 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.1613 c1ccc2c(c1)cncc2CN AB28215 [0,0,0,0,0,0|2,0,0]=2 19 B13R2.1613 c1cncc2c1c(cnc2)C=O CB11847 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.1081 c1cc2c(ccnc2Br)nc1 MB01013 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.1081 c1cc2c(ccnc2Cl)nc1 PB32262 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 c1cc2c(ccnc2N)nc1 AB54489 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.1081 c1cc2ccnc(c2nc1)Br AB65459 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.1081 c1cc2ccnc(c2nc1)Cl AB45031 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.1081 c1cc2ccnc(c2nc1)N AB08899 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.1081 c1cc2cncc(c2nc1)Br PB12160 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.1081 c1ccc2c(c1)cnnc2Cl AB01425 [1,0,0,0,0,0|1,0,0]=2 36 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [1,0,0,0,0,0|1,0,0]=2 37 B12R2.1081 c1cnc(c2c1cncc2)Br AB65462 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.1081 c1cnc(c2c1cncc2)Cl AB09607 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.1081 c1cnc(c2c1cncc2)N AB64136 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.1081 c1cnc(c2c1nccn2)N AB53421 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.1081 c1cncc2c1c(cnc2)Br AB73848 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.1081 c1cncc2c1ccnc2Cl PB30637 [1,0,0,0,0,0|3,0,0]=4 43 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB09123 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB42933 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.1073 Cc1ccc2c(ccnc2c1)NN AB52155 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.1073 c1cc2c(ccnc2cc1Br)NN AB05762 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.1073 c1cc2c(ccnc2cc1F)NN AB52490 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.1078 Cc1cccc2c1nccc2NN AB05750 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.1078 c1cc2c(ccnc2c(c1)Br)NN AB52460 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.1078 c1cc2c(ccnc2c(c1)Cl)NN AB45098 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.1078 c1cc2c(ccnc2c(c1)F)NN AB05761 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.1131 c1ccc2c(c1)c(ccc2Cl)NN AB27887 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.1146 Cc1cc(c2ccccc2n1)NN AB52136 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.7150 CNCc1c2ccccc2ccn1 AB69251 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.7150 CNCc1cccc2c1cccc2 AB01101 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.7150 CNCc1cccc2c1cccc2 AB03923 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.7150 c1ccc2c(c1)c(ncn2)CCN AB60726 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.11684 Cc1ccc2c(c1)c(ccn2)NN AB52150 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.11684 c1cc2c(cc1Br)c(ccn2)NN AB45093 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.11684 c1cc2c(cc1Cl)c(ccn2)NN AB45094 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.11684 c1cc2c(cc1F)c(ccn2)NN AB05760 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.31359 B(c1cncc2c1cccc2)(O)O AB14365 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.31359 B(c1cncc2c1cccc2)(O)O AB22278 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.31359 CC(=O)c1c2ccccc2ccn1 AB43402 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.31359 c1ccc2c(c1)cccc2C(=N)N AB18265 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.31359 c1ccc2c(c1)ccnc2C(=S)N AB28167 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.31359 c1ccc2c(c1)cncc2C(=O)O AB03356 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.31359 c1ccc2c(c1)cncc2C(=S)N AB28152 [0,1,0,0,0,0|2,0,0]=3 69 B12R2.1 C#CC1=c2ccccc2=NC1 AB06167 [0,0,0,0,1,0|3,0,0]=4 70 B12R2.1 C1=CC2C(=NC=C2CN)C=C1 AB09355 [0,0,0,0,1,0|2,0,1]=4 71 B12R2.1 C1=CC2C(=NN=C2C#N)C=C1 AB10022 [0,0,0,0,1,0|1,0,2]=4 72 B12R2.1 C1=CC2C(=NN=C2C=O)C=C1 MB10044 [0,0,0,0,1,0|2,0,1]=4 73 B12R2.1 C1=CC2C(=NN=C2C=O)C=C1 PB29329 [0,0,0,0,1,0|2,0,1]=4 74 B12R2.1 C1=CC2C(=NN=C2CCl)C=C1 AB60570 [0,0,0,0,1,0|2,0,1]=4 75 B12R2.1 C1=CC2C(=NN=C2CN)C=C1 AB28715 [0,0,0,0,1,0|1,0,1]=3 76 B12R2.1 C1=CC2C(=NN=C2CN)C=C1 PB20944 [0,0,0,0,1,0|1,0,1]=3 77 B12R2.1 C1=CC2C(=NN=C2CO)C=C1 PB26152 [0,0,0,0,1,0|2,0,1]=4 78 B12R2.1 CNc1nnc2n1cccc2 AB52824 [0,0,0,0,1,0|2,0,0]=3 79 B12R2.1 COC1=NN=C2=C1C=CC=C2 PB34799 [0,0,0,0,1,0|2,0,1]=4 80 B12R2.1 CSC1=NN=C2=C1C=CC=C2 MB09355 [0,0,0,0,1,0|2,0,1]=4 81 B12R2.1 c1ccn2c(c1)c(cn2)CN AB28979 [0,0,0,0,1,0|3,0,0]=4 82 B12R2.1 c1ccn2c(c1)cnc2C=O AB48941 [0,0,0,0,1,0|3,0,0]=4 83 B12R2.1 c1ccn2c(c1)ncc2CN AB28479 [0,0,0,0,1,0|3,0,0]=4 84 B12R2.1 c1ccn2cnc(c2c1)C=O AB28965 [0,0,0,0,1,0|3,0,0]=4 85 B12R2.1 c1ccn2cnc(c2c1)CN AB28978 [0,0,0,0,1,0|2,0,0]=3 86 B11R1.53 COc1ccccc1C(=N)N AB27551 [1,0,1,0,0,0|2,0,0]=4 87 B11R2.20 c1cc2cnccc2nc1 AB02371 [2,0,0,0,0,0|2,0,0]=4 88 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [2,0,0,0,0,0|1,0,1]=4 89 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.162 c1cc(cc2c1ccnc2Br)Cl AB70047 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.162 c1cc(cc2c1ccnc2Cl)Br AB17337 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.162 c1cc(cc2c1ccnc2N)Br AB39362 [1,1,0,0,0,0|1,0,0]=3 95 B13R2.162 c1cc(cc2c1ccnc2N)Cl AB64630 [1,1,0,0,0,0|1,0,0]=3 96 B13R2.162 c1cc2c(cc1Br)c(ncn2)N AB11598 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N AB12133 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.162 c1cc2c(cc1F)c(ncn2)N CB11608 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.162 c1cc2cnnc(c2cc1Br)Cl AB69653 [1,1,0,0,0,0|1,0,0]=3 100 B13R2.328 Cc1nc2ccccc2c(n1)N AB05254 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N AB43584 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.328 c1ccc2c(c1)cc(nc2Br)N CB10230 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl PB17073 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.342 Cc1cccc2c1ccnc2Cl MB09763 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.342 Cc1cccc2c1ccnc2O AB70070 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Br AB48461 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Cl AB64606 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.342 c1cc2c(ccnc2N)c(c1)Br AB64053 [1,1,0,0,0,0|1,0,0]=3 109 B13R2.342 c1cc2c(ccnc2N)c(c1)Cl AB70043 [1,1,0,0,0,0|1,0,0]=3 110 B13R2.371 Cc1c2ccccc2c(=O)[nH]n1 MB00345 [1,1,0,0,0,0|1,0,1]=4 111 B13R2.371 c1cc2c(c(nnc2Cl)Cl)nc1 PB21674 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.371 c1ccc2c(c1)c(cnc2Br)Br MB01038 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br MB01037 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.371 c1ccc2c(c1)c(cnc2N)Br MB03465 [1,1,0,0,0,0|1,0,0]=3 115 B13R2.371 c1cncc2c1c(nnc2Cl)Cl PB29713 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.4818 Cc1cccc2c1c(ncc2)Cl MB13685 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [1,1,0,0,0,0|1,0,0]=3 119 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.5179 c1cc2c(cc1Br)cn[nH]c2=O PB34379 [1,1,0,0,0,0|1,0,1]=4 121 B13R2.5179 c1cc2c(cc1Br)cnnc2Cl PB14700 [1,1,0,0,0,0|1,0,0]=3 122 B13R2.5179 c1cc2c(cc1Cl)cn[nH]c2=O PB30105 [1,1,0,0,0,0|1,0,1]=4 123 B13R2.5179 c1cc2c(cc1Cl)cnnc2Cl PB19262 [1,1,0,0,0,0|1,0,0]=3 124 B13R2.5179 c1cc2c(cc1F)ncnc2N CB11202 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [1,1,0,0,0,0|2,0,0]=4 126 B13R2.5179 c1cc2c(ccnc2Br)cc1F AB70062 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.5179 c1cc2c(ccnc2N)cc1Br AB39358 [1,1,0,0,0,0|1,0,0]=3 131 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [1,1,0,0,0,0|1,0,0]=3 132 B13R2.5179 c1cc2c(ccnc2N)cc1F AB69427 [1,1,0,0,0,0|1,0,0]=3 133 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.1 C1=CC2C(=NN=C2CCN)C=C1 AB45496 [0,1,0,0,1,0|1,0,1]=4 135 B13R2.1 CNCC1=c2ccccc2=NC1 AB12966 [0,1,0,0,1,0|2,0,0]=4 136 B13R2.1 c1ccc2c(c1)nnn2CCN AB28500 [0,1,0,0,1,0|2,0,0]=4 137 B13R2.2136 C1C=C(C=C2C1=NN=C2CN)Br AB28706 [0,1,0,0,1,0|1,0,1]=4 138 B13R2.2136 C1C=C(C=C2C1=NN=C2CN)F AB58301 [0,1,0,0,1,0|1,0,1]=4 139 B15R2.79765 c1ccc2c(c1)cncc2C(=O)NN AB28154 [0,2,0,0,0,0|1,0,0]=3 140 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)Br AB28590 [0,0,1,1,0,0|1,0,1]=4 141 B11R2.1 C1=CC2C(=NN=C2Br)C=C1 PB12113 [1,0,0,0,1,0|1,0,1]=4 142 B11R2.1 C1=CC2C(=NN=C2Cl)C=C1 AB02730 [1,0,0,0,1,0|1,0,1]=4 143 B11R2.1 C1=CC2C(=NN=C2I)C=C1 PB34085 [1,0,0,0,1,0|1,0,1]=4 144 B11R2.1 C1C=CN=C2C1=NN=C2N PB16716 [1,0,0,0,1,0|1,0,1]=4 145 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [1,0,0,0,1,0|1,0,1]=4 146 B11R2.1 Cn1c2ccccc2cn1 PB18505 [1,0,0,0,1,0|2,0,0]=4 147 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [1,0,0,0,1,0|2,0,0]=4 148 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,0,1,0|1,0,0]=3 149 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [1,0,0,0,1,0|0,0,1]=3 150 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [1,0,0,0,1,0|2,0,0]=4 151 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [1,0,0,0,1,0|1,0,0]=3 152 B11R2.1 c1ccn2c(c1)c(cn2)N AB28918 [1,0,0,0,1,0|2,0,0]=4 153 B11R2.1 c1ccn2c(c1)ncc2N AB26722 [1,0,0,0,1,0|2,0,0]=4 154 B11R2.1 c1ccn2c(c1)nnc2Cl PB13083 [1,0,0,0,1,0|2,0,0]=4 155 B11R2.1 c1ccn2c(c1)nnc2N AB13807 [1,0,0,0,1,0|1,0,0]=3 156 B11R2.1 c1ccn2c(c1)nnc2S MB02937 [1,0,0,0,1,0|2,0,0]=4 157 B11R2.1 c1cncc2c1cnn2N MB12332 [1,0,0,0,1,0|2,0,0]=4 158 B11R2.106 c1cnc(c2c1cco2)N AB52921 [1,0,0,0,1,0|2,0,0]=4 159 B11R2.106 c1cnc(c2c1ccs2)N PB25207 [1,0,0,0,1,0|2,0,0]=4 160 B11R2.106 c1cnc(c2c1occ2)N AB52908 [1,0,0,0,1,0|2,0,0]=4