0 B15R2.15371 Cc1cccc(c1C=C2CCCC2)C 271570a_100010378317_100000033847 [0,0,0,0,0,0|2,0,1]=3 1 B15R2.15371 Cc1cccc(c1C=C2CCCC2)Cl 271570a_100010378317_100000043165 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.15371 Cc1cccc(c1C=C2CCCC2)F 271570a_100010378317_100012349962 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.15371 Cc1cccc(c1C=C2CCCC2)N 271570a_100010378317_100000684715 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.15371 Cc1cccc(c1C=C2CCCC2)O 271570a_100010378317_100000686692 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.15371 Cc1cccc(c1CN2CCCC2)Br 2230a_100000188435_100010146847 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.15371 Cc1cccc(c1CN2CCCC2)Br 269982a_100000188435_100010146847 [0,0,0,0,0,0|4,0,0]=4 7 B15R2.15371 Cc1cccc(c1CN2CCCC2)Br 26a_100000188435_100009817157 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.15371 Cc1cccc(c1CN2CCCC2)Br 270004a_100000188435_100009881667 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.15371 Cc1cccc(c1CN2CCCC2)C 2230a_100000188435_100000758300 [0,0,0,0,0,0|3,0,0]=3 10 B15R2.15371 Cc1cccc(c1CN2CCCC2)C 269982a_100000188435_100000758300 [0,0,0,0,0,0|3,0,0]=3 11 B15R2.15371 Cc1cccc(c1CN2CCCC2)C 270004a_100000188435_100000758299 [0,0,0,0,0,0|3,0,0]=3 12 B15R2.15371 Cc1cccc(c1CN2CCCC2)Cl 270004a_100000188435_100000041122 [0,0,0,0,0,0|4,0,0]=4 13 B15R2.15371 Cc1cccc(c1CN2CCCC2)F 2230a_100000188435_100009814554 [0,0,0,0,0,0|4,0,0]=4 14 B15R2.15371 Cc1cccc(c1CN2CCCC2)F 269982a_100000188435_100009814554 [0,0,0,0,0,0|4,0,0]=4 15 B15R2.15371 Cc1cccc(c1CN2CCCC2)F 270004a_100000188435_100000069827 [0,0,0,0,0,0|4,0,0]=4 16 B15R2.15371 Cc1cccc(c1CN2CCCC2)I 2230a_100000188435_100010150146 [0,0,0,0,0,0|4,0,0]=4 17 B15R2.15371 Cc1cccc(c1CN2CCCC2)I 269982a_100000188435_100010150146 [0,0,0,0,0,0|4,0,0]=4 18 B15R2.15371 Cc1cccc(c1CN2CCSC2)C 2230a_100011215254_100000758300 [0,0,0,0,0,0|4,0,0]=4 19 B15R2.15371 Cc1cccc(c1CN2CCSC2)C 269982a_100011215254_100000758300 [0,0,0,0,0,0|4,0,0]=4 20 B15R2.15371 Cc1cccc(c1CN2CCSC2)C 270004a_100011215254_100000758299 [0,0,0,0,0,0|4,0,0]=4 21 B15R2.15371 Cc1cccc(c1NC2CCCC2)C 34a_100000185769_100000179811 [0,0,0,0,0,0|3,0,1]=4 22 B15R2.15371 Cc1cccc(c1Nc2ncns2)C 27a_100000185769_100000693119 [0,0,0,0,0,0|3,0,1]=4 23 B15R2.15371 Cc1cccc(c1Nc2nncs2)C 27a_100000185769_100000739804 [0,0,0,0,0,0|3,0,1]=4 24 B15R2.15371 Cc1cccc(c1OC2CCCC2)C 34a_100000210341_100000179811 [0,0,0,0,0,0|3,0,1]=4 25 B15R2.15371 Cc1cccc(c1OC2CCCC2)C 7a_100000210341_100000179811 [0,0,0,0,0,0|3,0,1]=4 26 B15R2.15371 Cc1cccc(c1SC2CCCC2)C 62a_100000033847_100000179811 [0,0,0,0,0,0|3,0,1]=4 27 B15R2.15371 Cc1cccc(c1SC2CCCC2)C 62a_100011217020_100000033847 [0,0,0,0,0,0|3,0,1]=4 28 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)C 62a_100000033847_100000756875 [0,0,0,0,0,0|3,0,1]=4 29 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)C 62a_100000756875_100000033847 [0,0,0,0,0,0|3,0,1]=4 30 B15R2.15371 Cc1cccc(c1Sc2c[nH]nn2)C 62a_100000033847_100009819707 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.15371 Cc1cccc(c1Sc2c[nH]nn2)C 62a_100009819707_100000033847 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)C 62a_100000033847_100000062575 [0,0,0,0,0,0|3,0,1]=4 33 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)C 62a_100000062575_100000033847 [0,0,0,0,0,0|3,0,1]=4 34 B15R2.15371 Cc1cccc(c1Sc2ccon2)C 62a_100000033847_100009818083 [0,0,0,0,0,0|3,0,1]=4 35 B15R2.15371 Cc1cccc(c1Sc2ccon2)C 62a_100009818083_100000033847 [0,0,0,0,0,0|3,0,1]=4 36 B15R2.15371 Cc1cccc(c1Sc2ccsn2)C 62a_100000033847_100009818082 [0,0,0,0,0,0|3,0,1]=4 37 B15R2.15371 Cc1cccc(c1Sc2ccsn2)C 62a_100009818082_100000033847 [0,0,0,0,0,0|3,0,1]=4 38 B15R2.15371 Cc1cccc(c1Sc2cscn2)C 62a_100000033847_100000751502 [0,0,0,0,0,0|3,0,1]=4 39 B15R2.15371 Cc1cccc(c1Sc2cscn2)C 62a_100000751502_100000033847 [0,0,0,0,0,0|3,0,1]=4 40 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)C 62a_100000033847_100000761765 [0,0,0,0,0,0|2,0,2]=4 41 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)C 62a_100000761765_100000033847 [0,0,0,0,0,0|2,0,2]=4 42 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Br 62a_100010141302_100025796157 [0,0,0,0,0,0|2,0,2]=4 43 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010141302 [0,0,0,0,0,0|2,0,2]=4 44 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)C 62a_100000033847_100025796157 [0,0,0,0,0,0|1,0,2]=3 45 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100000033847 [0,0,0,0,0,0|1,0,2]=3 46 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000043165_100025796157 [0,0,0,0,0,0|2,0,2]=4 47 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000043165 [0,0,0,0,0,0|2,0,2]=4 48 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)F 62a_100011218421_100025796157 [0,0,0,0,0,0|2,0,2]=4 49 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100011218421 [0,0,0,0,0,0|2,0,2]=4 50 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)N 62a_100000684715_100025796157 [0,0,0,0,0,0|2,0,2]=4 51 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)N 62a_100025796157_100000684715 [0,0,0,0,0,0|2,0,2]=4 52 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)O 62a_100000686692_100025796157 [0,0,0,0,0,0|2,0,2]=4 53 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100000686692 [0,0,0,0,0,0|2,0,2]=4 54 B15R2.15371 Cc1cccc(c1Sc2ncco2)C 62a_100000033847_100011787736 [0,0,0,0,0,0|2,0,2]=4 55 B15R2.15371 Cc1cccc(c1Sc2ncco2)C 62a_100011787736_100000033847 [0,0,0,0,0,0|2,0,2]=4 56 B15R2.15371 Cc1cccc(c1Sc2nccs2)C 62a_100000033847_100000211983 [0,0,0,0,0,0|2,0,2]=4 57 B15R2.15371 Cc1cccc(c1Sc2nccs2)C 62a_100000211983_100000033847 [0,0,0,0,0,0|2,0,2]=4 58 B15R2.15371 Cc1cccc(c1Sc2ncns2)C 62a_100000033847_100000693119 [0,0,0,0,0,0|3,0,1]=4 59 B15R2.15371 Cc1cccc(c1Sc2ncns2)C 62a_100000693119_100000033847 [0,0,0,0,0,0|3,0,1]=4 60 B15R2.15371 Cc1cccc(c1Sc2nncs2)C 62a_100000033847_100000739804 [0,0,0,0,0,0|3,0,1]=4 61 B15R2.15371 Cc1cccc(c1Sc2nncs2)C 62a_100000739804_100000033847 [0,0,0,0,0,0|3,0,1]=4 62 B15R2.15371 Cc1ccnc(c1C=C2CCCC2)C 271570a_100010378317_100012000501 [0,0,0,0,0,0|3,0,1]=4 63 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)C 62a_100012000501_100025796157 [0,0,0,0,0,0|2,0,2]=4 64 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)C 62a_100025796157_100012000501 [0,0,0,0,0,0|2,0,2]=4 65 B15R2.15371 Cc1cncc(c1C=C2CCCC2)C 271570a_100010378317_100009817138 [0,0,0,0,0,0|3,0,1]=4 66 B15R2.15371 Cc1cncc(c1Sc2ncc[nH]2)C 62a_100009817138_100025796157 [0,0,0,0,0,0|2,0,2]=4 67 B15R2.15371 Cc1cncc(c1Sc2ncc[nH]2)C 62a_100025796157_100009817138 [0,0,0,0,0,0|2,0,2]=4 68 B14R2.50 Cc1ccccc1C=C2CCCC2 271570a_100010378317_100000210755 [1,0,0,0,0,0|2,0,1]=4 69 B14R2.50 Cc1ccccc1CN2CCCC2 2230a_100000188435_100000211839 [1,0,0,0,0,0|3,0,0]=4 70 B14R2.50 Cc1ccccc1CN2CCCC2 269982a_100000188435_100000211839 [1,0,0,0,0,0|3,0,0]=4 71 B14R2.50 Cc1ccccc1CN2CCCC2 270004a_100000188435_100000211143 [1,0,0,0,0,0|3,0,0]=4 72 B14R2.50 Cc1ccccc1Sc2ncc[nH]2 62a_100000210755_100025796157 [1,0,0,0,0,0|1,0,2]=4 73 B14R2.50 Cc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000210755 [1,0,0,0,0,0|1,0,2]=4 74 B16R2.6175 Cc1cc(c(c(c1)C)C=C2CCCC2)C 271570a_100010378317_100011204320 [0,1,0,0,0,0|2,0,1]=4 75 B16R2.6175 Cc1cc(c(c(c1)C)CN2CCCC2)C 2230a_100000188435_100000749405 [0,1,0,0,0,0|3,0,0]=4 76 B16R2.6175 Cc1cc(c(c(c1)C)CN2CCCC2)C 269982a_100000188435_100000749405 [0,1,0,0,0,0|3,0,0]=4 77 B16R2.6175 Cc1cc(c(c(c1)C)CN2CCCC2)C 270004a_100000188435_100000211105 [0,1,0,0,0,0|3,0,0]=4 78 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ncc[nH]2)C 62a_100011204320_100025796157 [0,1,0,0,0,0|1,0,2]=4 79 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ncc[nH]2)C 62a_100025796157_100011204320 [0,1,0,0,0,0|1,0,2]=4 80 B16R2.6175 Cc1cc(cc(c1C=C2CCCC2)C)Br 271570a_100010378317_100009814048 [0,1,0,0,0,0|2,0,1]=4 81 B16R2.6175 Cc1cc(cc(c1C=C2CCCC2)C)Cl 271570a_100010378317_100010244930 [0,1,0,0,0,0|2,0,1]=4 82 B16R2.6175 Cc1cc(cc(c1C=C2CCCC2)C)F 271570a_100010378317_100012356666 [0,1,0,0,0,0|2,0,1]=4 83 B16R2.6175 Cc1cc(cc(c1C=C2CCCC2)C)O 271570a_100010378317_100000243743 [0,1,0,0,0,0|2,0,1]=4 84 B16R2.6175 Cc1cc(cc(c1CN2CCCC2)C)Br 26a_100000188435_100000187306 [0,1,0,0,0,0|3,0,0]=4 85 B16R2.6175 Cc1cc(cc(c1CN2CCCC2)C)Br 270004a_100000188435_100010238521 [0,1,0,0,0,0|3,0,0]=4 86 B16R2.6175 Cc1cc(cc(c1CN2CCCC2)C)Cl 270004a_100000188435_100000693520 [0,1,0,0,0,0|3,0,0]=4 87 B16R2.6175 Cc1cc(cc(c1CN2CCCC2)C)F 270004a_100000188435_100012179923 [0,1,0,0,0,0|3,0,0]=4 88 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)Br 62a_100009814048_100025796157 [0,1,0,0,0,0|1,0,2]=4 89 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)Br 62a_100025796157_100009814048 [0,1,0,0,0,0|1,0,2]=4 90 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)Cl 62a_100010244930_100025796157 [0,1,0,0,0,0|1,0,2]=4 91 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)Cl 62a_100025796157_100010244930 [0,1,0,0,0,0|1,0,2]=4 92 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)F 62a_100012356666_100025796157 [0,1,0,0,0,0|1,0,2]=4 93 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)F 62a_100025796157_100012356666 [0,1,0,0,0,0|1,0,2]=4 94 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)N 62a_100000215964_100025796157 [0,1,0,0,0,0|1,0,2]=4 95 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)N 62a_100025796157_100000215964 [0,1,0,0,0,0|1,0,2]=4 96 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)O 62a_100000243743_100025796157 [0,1,0,0,0,0|1,0,2]=4 97 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)O 62a_100025796157_100000243743 [0,1,0,0,0,0|1,0,2]=4 98 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2C)C 62a_100000033847_100161115468 [0,1,0,0,0,0|1,0,2]=4 99 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2C)C 62a_100161115468_100000033847 [0,1,0,0,0,0|1,0,2]=4 100 B16R2.11484 Cc1cccc(c1CN2CCC(C2)O)C 2230a_100011215560_100000758300 [0,1,0,0,0,0|3,0,0]=4 101 B16R2.11484 Cc1cccc(c1CN2CCC(C2)O)C 269982a_100011215560_100000758300 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.11484 Cc1cccc(c1CN2CCC(C2)O)C 270004a_100011215560_100000758299 [0,1,0,0,0,0|3,0,0]=4 103 B16R2.11484 Cc1cccc(c1CN2CC[C@@H](C2)F)C 2230a_100015203821_100000758300 [0,1,0,0,0,0|3,0,0]=4 104 B16R2.11484 Cc1cccc(c1CN2CC[C@@H](C2)F)C 269982a_100015203821_100000758300 [0,1,0,0,0,0|3,0,0]=4 105 B16R2.11484 Cc1cccc(c1CN2CC[C@@H](C2)F)C 270004a_100015203821_100000758299 [0,1,0,0,0,0|3,0,0]=4 106 B16R2.11484 Cc1cccc(c1CN2CC[C@@H](C2)F)C 34a_100015203821_100000758300 [0,1,0,0,0,0|3,0,0]=4 107 B16R2.11484 Cc1cccc(c1CN2CC[C@H](C2)C)C 2230a_100016987628_100000758300 [0,1,0,0,0,0|3,0,0]=4 108 B16R2.11484 Cc1cccc(c1CN2CC[C@H](C2)C)C 269982a_100016987628_100000758300 [0,1,0,0,0,0|3,0,0]=4 109 B16R2.11484 Cc1cccc(c1CN2CC[C@H](C2)C)C 270004a_100016987628_100000758299 [0,1,0,0,0,0|3,0,0]=4 110 B16R2.11484 Cc1cccc(c1CN2CC[C@H](C2)C)C 34a_100016987628_100000758300 [0,1,0,0,0,0|3,0,0]=4 111 B16R2.11484 Cc1cccc(c1Cc2noc(n2)O)C 270196a_200011933933_100015183105 [0,1,0,0,0,0|1,0,2]=4 112 B16R2.11484 Cc1nc(no1)Cc2c(cccc2C)C 270196a_200011933933_100000070787 [0,1,0,0,0,0|1,0,2]=4 113 B16R2.11484 Cc1noc(n1)Cc2c(cccc2C)C 270196a_100000212224_100000689862 [0,1,0,0,0,0|2,0,1]=4 114 B16R2.14153 Cc1cccc(c1CN2CCC[C@@H]2C)C 2230a_100020605311_100000758300 [0,1,0,0,0,0|3,0,0]=4 115 B16R2.14153 Cc1cccc(c1CN2CCC[C@@H]2C)C 269982a_100020605311_100000758300 [0,1,0,0,0,0|3,0,0]=4 116 B16R2.14153 Cc1cccc(c1CN2CCC[C@@H]2C)C 270004a_100020605311_100000758299 [0,1,0,0,0,0|3,0,0]=4 117 B16R2.14153 Cc1cccc(c1CN2CCC[C@H]2C)C 2230a_100015189458_100000758300 [0,1,0,0,0,0|3,0,0]=4 118 B16R2.14153 Cc1cccc(c1CN2CCC[C@H]2C)C 269982a_100015189458_100000758300 [0,1,0,0,0,0|3,0,0]=4 119 B16R2.14153 Cc1cccc(c1CN2CCC[C@H]2C)C 270004a_100015189458_100000758299 [0,1,0,0,0,0|3,0,0]=4 120 B16R2.14153 Cc1cccc(c1CN2CCC[C@H]2C)C 34a_100015189458_100000758300 [0,1,0,0,0,0|3,0,0]=4 121 B16R2.14153 Cc1cccc(c1Nc2ncnn2C)C 27a_100000185769_100000732653 [0,1,0,0,0,0|2,0,1]=4 122 B16R2.14153 Cc1cccc(c1Sc2nccn2C)C 62a_100000033847_100000707724 [0,1,0,0,0,0|1,0,2]=4 123 B16R2.14153 Cc1cccc(c1Sc2nccn2C)C 62a_100000707724_100000033847 [0,1,0,0,0,0|1,0,2]=4 124 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)C 62a_100000033847_100000732653 [0,1,0,0,0,0|2,0,1]=4 125 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)C 62a_100000732653_100000033847 [0,1,0,0,0,0|2,0,1]=4 126 B16R2.26187 Cc1ccc(c(c1C=C2CCCC2)C)F 271570a_100010378317_100011068659 [0,1,0,0,0,0|2,0,1]=4 127 B16R2.26187 Cc1ccc(c(c1C=C2CCCC2)C)N 271570a_100010378317_106354213274 [0,1,0,0,0,0|2,0,1]=4 128 B16R2.26187 Cc1ccc(c(c1C=C2CCCC2)C)O 271570a_100010378317_100010659238 [0,1,0,0,0,0|2,0,1]=4 129 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)F 62a_100011068659_100025796157 [0,1,0,0,0,0|1,0,2]=4 130 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)F 62a_100025796157_100011068659 [0,1,0,0,0,0|1,0,2]=4 131 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)N 62a_100025796157_106354213274 [0,1,0,0,0,0|1,0,2]=4 132 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)N 62a_106354213274_100025796157 [0,1,0,0,0,0|1,0,2]=4 133 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)O 62a_100010659238_100025796157 [0,1,0,0,0,0|1,0,2]=4 134 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)O 62a_100025796157_100010659238 [0,1,0,0,0,0|1,0,2]=4 135 B16R2.41276 CCc1cccc(c1C=C2CCCC2)C 271570a_100010378317_100000036235 [0,1,0,0,0,0|2,0,1]=4 136 B16R2.41276 CCc1cccc(c1Sc2ncc[nH]2)C 62a_100000036235_100025796157 [0,1,0,0,0,0|1,0,2]=4 137 B16R2.41276 CCc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100000036235 [0,1,0,0,0,0|1,0,2]=4 138 B16R2.41276 COc1cccc(c1CN2CCCC2)C 270004a_100000188435_100000050978 [0,1,0,0,0,0|3,0,0]=4 139 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)C 62a_100010191535_100025796157 [0,1,0,0,0,0|1,0,2]=4 140 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100010191535 [0,1,0,0,0,0|1,0,2]=4 141 B16R2.41276 Cc1cccc(c1C=C2CCCC2)CO 271570a_100010378317_100011659289 [0,1,0,0,0,0|2,0,1]=4 142 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)CO 62a_100011659289_100025796157 [0,1,0,0,0,0|1,0,2]=4 143 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)CO 62a_100025796157_100011659289 [0,1,0,0,0,0|1,0,2]=4 144 B14R1.16281 CCN(CC)Cc1c(cccc1C)C 2230a_100000724800_100000758300 [0,0,1,0,0,0|3,0,0]=4 145 B14R1.16281 CCN(CC)Cc1c(cccc1C)C 269956a_100000042499_100000758300 [0,0,1,0,0,0|3,0,0]=4 146 B14R1.16281 CCN(CC)Cc1c(cccc1C)C 269982a_100000724800_100000758300 [0,0,1,0,0,0|3,0,0]=4 147 B14R1.16281 CCN(CC)Cc1c(cccc1C)C 270004a_100000724800_100000758299 [0,0,1,0,0,0|3,0,0]=4 148 B14R1.19171 CC#CC(=O)Cc1c(cccc1C)C 1458a_100000763181_100000758300 [0,0,1,0,0,0|2,0,1]=4 149 B14R1.19171 CC=CC(=O)Cc1c(cccc1C)C 1458a_100000210699_100000758300 [0,0,1,0,0,0|2,0,1]=4 150 B14R1.19171 CCCC(=O)Cc1c(cccc1Br)C 1458a_100000211992_100010146847 [0,0,1,0,0,0|3,0,0]=4 151 B14R1.19171 CCCC(=O)Cc1c(cccc1Br)C 1458a_100010147022_100000210303 [0,0,1,0,0,0|3,0,0]=4 152 B14R1.19171 CCCC(=O)Cc1c(cccc1C)C 1458a_100000211992_100000758300 [0,0,1,0,0,0|2,0,0]=3 153 B14R1.19171 CCCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000210303 [0,0,1,0,0,0|2,0,0]=3 154 B14R1.19171 CCCC(=O)Cc1c(cccc1F)C 1458a_100000211992_100009814554 [0,0,1,0,0,0|3,0,0]=4 155 B14R1.19171 CCCC(=O)Cc1c(cccc1I)C 1458a_100000211992_100010150146 [0,0,1,0,0,0|3,0,0]=4 156 B14R1.19171 CCCC(=O)Nc1c(cccc1C)C 11a_100000185769_100000211992 [0,0,1,0,0,0|3,0,0]=4 157 B14R1.19171 CCCC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000211992 [0,0,1,0,0,0|3,0,0]=4 158 B14R1.19171 CCCC(=O)Nc1c(cccc1C)C 22a_100000185769_100000211992 [0,0,1,0,0,0|3,0,0]=4 159 B14R1.19171 CCCN(C)Cc1c(cccc1C)C 2230a_100000747261_100000758300 [0,0,1,0,0,0|3,0,0]=4 160 B14R1.19171 CCCN(C)Cc1c(cccc1C)C 269982a_100000747261_100000758300 [0,0,1,0,0,0|3,0,0]=4 161 B14R1.19171 CCCN(C)Cc1c(cccc1C)C 270004a_100000747261_100000758299 [0,0,1,0,0,0|3,0,0]=4 162 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Br 11a_100015525214_100010209379 [0,0,1,0,0,0|3,0,0]=4 163 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Br 240690a_100015525214_100010209379 [0,0,1,0,0,0|3,0,0]=4 164 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Br 527a_100015525214_100010209379 [0,0,1,0,0,0|3,0,0]=4 165 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)C 11a_100015525214_100010147022 [0,0,1,0,0,0|2,0,0]=3 166 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)C 240690a_100015525214_100010147022 [0,0,1,0,0,0|2,0,0]=3 167 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)C 527a_100015525214_100010147022 [0,0,1,0,0,0|2,0,0]=3 168 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Cl 11a_100015525214_100013084675 [0,0,1,0,0,0|3,0,0]=4 169 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Cl 240690a_100015525214_100013084675 [0,0,1,0,0,0|3,0,0]=4 170 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Cl 527a_100015525214_100013084675 [0,0,1,0,0,0|3,0,0]=4 171 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)F 11a_100015525214_100010172741 [0,0,1,0,0,0|3,0,0]=4 172 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)F 240690a_100015525214_100010172741 [0,0,1,0,0,0|3,0,0]=4 173 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)F 527a_100015525214_100010172741 [0,0,1,0,0,0|3,0,0]=4 174 B14R1.19171 CCNC(=O)Cc1c(cccc1C)C 11a_100015525214_100000689862 [0,0,1,0,0,0|1,0,0]=2 175 B14R1.19171 CCNC(=O)Cc1c(cccc1C)C 240690a_100015525214_100000689862 [0,0,1,0,0,0|1,0,0]=2 176 B14R1.19171 CCNC(=O)Cc1c(cccc1C)C 527a_100015525214_100000689862 [0,0,1,0,0,0|1,0,0]=2 177 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 11a_100015525214_100000211232 [0,0,1,0,0,0|3,0,0]=4 178 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 240690a_100015525214_100000211232 [0,0,1,0,0,0|3,0,0]=4 179 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 527a_100015525214_100000211232 [0,0,1,0,0,0|3,0,0]=4 180 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)F 11a_100015525214_100000185183 [0,0,1,0,0,0|3,0,0]=4 181 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)F 240690a_100015525214_100000185183 [0,0,1,0,0,0|3,0,0]=4 182 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)F 527a_100015525214_100000185183 [0,0,1,0,0,0|3,0,0]=4 183 B14R1.19171 CCNC(=O)Cc1c(cccc1F)F 11a_100015525214_100000684726 [0,0,1,0,0,0|3,0,0]=4 184 B14R1.19171 CCNC(=O)Cc1c(cccc1F)F 240690a_100015525214_100000684726 [0,0,1,0,0,0|3,0,0]=4 185 B14R1.19171 CCNC(=O)Cc1c(cccc1F)F 527a_100015525214_100000684726 [0,0,1,0,0,0|3,0,0]=4 186 B14R1.19171 CCNC(=O)Nc1c(cccc1Br)C 2430a_100011834072_100015525214 [0,0,1,0,0,0|3,0,0]=4 187 B14R1.19171 CCNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100015525214 [0,0,1,0,0,0|2,0,0]=3 188 B14R1.19171 CCNC(=O)Nc1c(cccc1C)C 512a_100015525214_100000185769 [0,0,1,0,0,0|2,0,0]=3 189 B14R1.19171 CCNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100015525214 [0,0,1,0,0,0|3,0,0]=4 190 B14R1.19171 CCNC(=O)Nc1c(cccc1F)C 2430a_100000766463_100015525214 [0,0,1,0,0,0|3,0,0]=4 191 B14R1.19171 CCNC(=O)Nc1c(cccc1O)C 2430a_100000743429_100015525214 [0,0,1,0,0,0|3,0,0]=4 192 B14R1.19171 CNNC(=O)Cc1c(cccc1Br)C 22a_100016993582_100010147022 [0,0,1,0,0,0|3,0,0]=4 193 B14R1.19171 CNNC(=O)Cc1c(cccc1C)C 22a_100016993582_100000689862 [0,0,1,0,0,0|2,0,0]=3 194 B14R1.19171 CNNC(=O)Nc1c(cccc1C)C 512a_100016993582_100000185769 [0,0,1,0,0,0|3,0,0]=4 195 B14R1.19171 COCC(=O)Cc1c(cccc1C)C 1458a_100000210968_100000758300 [0,0,1,0,0,0|3,0,0]=4 196 B14R1.19171 CSCC(=O)Cc1c(cccc1C)C 1458a_100000184570_100000758300 [0,0,1,0,0,0|3,0,0]=4 197 B14R1.19171 Cc1cccc(c1CC(=O)CCF)C 1458a_100000689862_100011217306 [0,0,1,0,0,0|3,0,0]=4 198 B14R1.19171 Cc1cccc(c1CC(=O)CCO)C 1458a_100000689862_100000211926 [0,0,1,0,0,0|3,0,0]=4 199 B14R1.19171 Cc1cccc(c1CC(=O)CCO)C 1458a_100011216618_100000758300 [0,0,1,0,0,0|3,0,0]=4 200 B14R1.20339 CCCCC=Cc1c(cccc1C)C 271570a_100016275911_100000033847 [0,0,1,0,0,0|2,0,1]=4 201 B14R1.20339 CCCCNCc1c(cccc1C)C 207a_100000102301_100000758299 [0,0,1,0,0,0|3,0,0]=4 202 B14R1.20339 CCCCNCc1c(cccc1C)C 2230a_100000102301_100000758300 [0,0,1,0,0,0|3,0,0]=4 203 B14R1.20339 CCCCNCc1c(cccc1C)C 270004a_100000102301_100000758299 [0,0,1,0,0,0|3,0,0]=4 204 B14R1.20339 CCCCNCc1c(cccc1C)C 34a_100000689800_100000210210 [0,0,1,0,0,0|3,0,0]=4 205 B14R1.20339 CCCCNCc1c(cccc1C)C 7a_106832991798_100000758300 [0,0,1,0,0,0|3,0,0]=4 206 B14R1.20339 CCCCOCc1c(cccc1C)C 34a_100000210227_100000758300 [0,0,1,0,0,0|3,0,0]=4 207 B14R1.20339 CCCCOCc1c(cccc1C)C 34a_100011933981_100000210210 [0,0,1,0,0,0|3,0,0]=4 208 B14R1.20339 CCCCOCc1c(cccc1C)C 7a_100000210227_100000758300 [0,0,1,0,0,0|3,0,0]=4 209 B14R1.20339 CCCCOCc1c(cccc1C)C 7a_100011933981_100000210211 [0,0,1,0,0,0|3,0,0]=4 210 B14R1.20339 CCCCSCc1c(cccc1C)C 62a_100000210211_100000758300 [0,0,1,0,0,0|3,0,0]=4 211 B14R1.20339 CCCCSCc1c(cccc1C)C 62a_100000758300_100000210210 [0,0,1,0,0,0|3,0,0]=4 212 B14R1.20339 CCCNN=Cc1c(cccc1C)C 4a_100000740057_100000758299 [0,0,1,0,0,0|2,0,1]=4 213 B14R1.20339 Cc1cccc(c1C=NNCCO)C 4a_100000210001_100000758299 [0,0,1,0,0,0|2,0,1]=4 214 B14R1.20339 Cc1cccc(c1CNCCCF)C 207a_100015189416_100000758299 [0,0,1,0,0,0|3,0,0]=4 215 B14R1.20339 Cc1cccc(c1CNCCCF)C 2230a_100015189416_100000758300 [0,0,1,0,0,0|3,0,0]=4 216 B14R1.20339 Cc1cccc(c1CNCCCF)C 270004a_100015189416_100000758299 [0,0,1,0,0,0|3,0,0]=4 217 B14R1.20339 Cc1cccc(c1CNCCCF)C 34a_100000689800_100011934791 [0,0,1,0,0,0|3,0,0]=4 218 B14R1.20339 Cc1cccc(c1CNCCCF)C 34a_100015189416_100000758300 [0,0,1,0,0,0|3,0,0]=4 219 B14R1.20339 Cc1cccc(c1CNCCCO)C 207a_100000182051_100000758299 [0,0,1,0,0,0|3,0,0]=4 220 B14R1.20339 Cc1cccc(c1CNCCCO)C 270004a_100000182051_100000758299 [0,0,1,0,0,0|3,0,0]=4 221 B14R1.20339 Cc1cccc(c1CNCCCO)C 34a_100000689800_100000230001 [0,0,1,0,0,0|3,0,0]=4 222 B14R1.20339 Cc1cccc(c1COCCCBr)C 34a_100011217188_100000758300 [0,0,1,0,0,0|3,0,0]=4 223 B14R1.20339 Cc1cccc(c1COCCCCl)C 34a_100000230001_100000758300 [0,0,1,0,0,0|3,0,0]=4 224 B14R1.20339 Cc1cccc(c1COCCCF)C 34a_100000759539_100000758300 [0,0,1,0,0,0|3,0,0]=4 225 B14R1.20339 Cc1cccc(c1COCCCF)C 34a_100011933981_100011934791 [0,0,1,0,0,0|3,0,0]=4 226 B14R1.20339 Cc1cccc(c1COCCCF)C 7a_100011933981_100011934791 [0,0,1,0,0,0|3,0,0]=4 227 B14R1.20339 Cc1cccc(c1COCCCN)Br 34a_100000182051_100010146847 [0,0,1,0,0,0|3,0,0]=4 228 B14R1.20339 Cc1cccc(c1COCCCN)C 34a_100000182051_100000758300 [0,0,1,0,0,0|2,0,0]=3 229 B14R1.20339 Cc1cccc(c1COCCCN)F 34a_100000182051_100009814554 [0,0,1,0,0,0|3,0,0]=4 230 B14R1.20339 Cc1cccc(c1COCCCN)I 34a_100000182051_100010150146 [0,0,1,0,0,0|3,0,0]=4 231 B14R1.20339 Cc1cccc(c1COCCCO)C 34a_100011933981_100000230001 [0,0,1,0,0,0|3,0,0]=4 232 B14R1.20339 Cc1cccc(c1COCCCO)C 7a_100011933981_100011215043 [0,0,1,0,0,0|3,0,0]=4 233 B14R1.20339 Cc1cccc(c1COCCON)C 34a_100000700252_100000758300 [0,0,1,0,0,0|3,0,0]=4 234 B14R1.20339 Cc1cccc(c1CSCCCF)C 62a_100000758300_100011934791 [0,0,1,0,0,0|3,0,0]=4 235 B14R1.20339 Cc1cccc(c1CSCCCF)C 62a_100011934791_100000758300 [0,0,1,0,0,0|3,0,0]=4 236 B14R1.20339 Cc1cccc(c1CSCCCO)C 62a_100000758300_100011215043 [0,0,1,0,0,0|3,0,0]=4 237 B14R1.20339 Cc1cccc(c1CSCCCO)C 62a_100011215043_100000758300 [0,0,1,0,0,0|3,0,0]=4 238 B14R2.5333 Cc1cccc(c1CN2CCC2)Br 269982a_100000754969_100010146847 [0,0,0,0,1,0|3,0,0]=4 239 B14R2.5333 Cc1cccc(c1CN2CCC2)Br 26a_100000754969_100009817157 [0,0,0,0,1,0|3,0,0]=4 240 B14R2.5333 Cc1cccc(c1CN2CCC2)C 269982a_100000754969_100000758300 [0,0,0,0,1,0|2,0,0]=3 241 B14R2.5333 Cc1cccc(c1CN2CCC2)F 269982a_100000754969_100009814554 [0,0,0,0,1,0|3,0,0]=4 242 B14R2.5333 Cc1cccc(c1CN2CCC2)I 269982a_100000754969_100010150146 [0,0,0,0,1,0|3,0,0]=4 243 B14R2.5333 Cc1cccc(c1NC2CCC2)C 34a_100000185769_100000749161 [0,0,0,0,1,0|2,0,1]=4 244 B14R2.5333 Cc1cccc(c1OC2CCC2)C 34a_100000210341_100000749161 [0,0,0,0,1,0|2,0,1]=4 245 B14R2.5333 Cc1cccc(c1SC2CCC2)C 62a_100000033847_100000749161 [0,0,0,0,1,0|2,0,1]=4 246 B14R2.9066 Cc1cccc(c1C2=CCCC2)C 271570a_100000089523_100000033847 [0,0,0,0,1,0|2,0,0]=3 247 B14R2.9066 Cc1cccc(c1C2=CCCC2)Cl 271570a_100000089523_100000043165 [0,0,0,0,1,0|3,0,0]=4 248 B14R2.9066 Cc1cccc(c1C2=CCCC2)F 271570a_100000089523_100012349962 [0,0,0,0,1,0|3,0,0]=4 249 B14R2.9066 Cc1cccc(c1C2=CCCC2)N 271570a_100000089523_100000684715 [0,0,0,0,1,0|3,0,0]=4 250 B14R2.9066 Cc1cccc(c1C2=CCCC2)O 271570a_100000089523_100000686692 [0,0,0,0,1,0|3,0,0]=4 251 B14R2.9066 Cc1cccc(c1C2=CCOC2)C 271570a_100009872500_100000033847 [0,0,0,0,1,0|3,0,0]=4 252 B14R2.9066 Cc1cccc(c1C2=COCC2)C 271570a_100000118173_100000033847 [0,0,0,0,1,0|3,0,0]=4 253 B14R2.9066 Cc1cccc(c1c2cc[nH]n2)C 271570a_100000062414_100000033847 [0,0,0,0,1,0|2,0,1]=4 254 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)C 271570a_100016988920_100000033847 [0,0,0,0,1,0|0,0,2]=3 255 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000043165 [0,0,0,0,1,0|1,0,2]=4 256 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)F 271570a_100010391573_100025796157 [0,0,0,0,1,0|1,0,2]=4 257 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100012349962 [0,0,0,0,1,0|1,0,2]=4 258 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)N 271570a_100016988920_100000684715 [0,0,0,0,1,0|1,0,2]=4 259 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)O 271570a_100016988920_100000686692 [0,0,0,0,1,0|1,0,2]=4 260 B14R2.9066 Cc1ccnc(c1C2=CCCC2)C 271570a_100000089523_100012000501 [0,0,0,0,1,0|3,0,0]=4 261 B14R2.9066 Cc1ccnc(c1c2ncc[nH]2)C 271570a_100016988920_100012000501 [0,0,0,0,1,0|1,0,2]=4 262 B14R2.9066 Cc1cncc(c1C2=CCCC2)C 271570a_100000089523_100009817138 [0,0,0,0,1,0|3,0,0]=4 263 B14R2.9066 Cc1cncc(c1c2ncc[nH]2)C 271570a_100016988920_100009817138 [0,0,0,0,1,0|1,0,2]=4 264 B16R2.3259 Cc1cccc(c1CN2CCCOC2)C 2230a_100000131196_100000758300 [0,0,0,0,0,1|3,0,0]=4 265 B16R2.3259 Cc1cccc(c1CN2CCCOC2)C 269982a_100000131196_100000758300 [0,0,0,0,0,1|3,0,0]=4 266 B16R2.3259 Cc1cccc(c1CN2CCCOC2)C 270004a_100000131196_100000758299 [0,0,0,0,0,1|3,0,0]=4 267 B16R2.3259 Cc1cccc(c1CN2CCCOC2)C 34a_100000131196_100000758300 [0,0,0,0,0,1|3,0,0]=4 268 B16R2.3259 Cc1cccc(c1CN2CCOCC2)C 2230a_100015191051_100000758300 [0,0,0,0,0,1|3,0,0]=4 269 B16R2.3259 Cc1cccc(c1CN2CCOCC2)C 269982a_100015191051_100000758300 [0,0,0,0,0,1|3,0,0]=4 270 B16R2.3259 Cc1cccc(c1CN2CCOCC2)C 270004a_100015191051_100000758299 [0,0,0,0,0,1|3,0,0]=4 271 B16R2.3259 Cc1cccc(c1CN2CCOCC2)C 34a_100015191051_100000758300 [0,0,0,0,0,1|3,0,0]=4 272 B16R2.3259 Cc1cccc(c1CN2CCSCC2)C 2230a_100000737611_100000758300 [0,0,0,0,0,1|3,0,0]=4 273 B16R2.3259 Cc1cccc(c1CN2CCSCC2)C 269982a_100000737611_100000758300 [0,0,0,0,0,1|3,0,0]=4 274 B16R2.3259 Cc1cccc(c1CN2CCSCC2)C 270004a_100000737611_100000758299 [0,0,0,0,0,1|3,0,0]=4 275 B16R2.25778 Brc1cccc(c1NCC2=NCCN2)Br 34a_100000690995_100000737910 [0,0,0,0,0,1|2,0,0]=3 276 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)Br 34a_100000736428_100000737910 [0,0,0,0,0,1|2,0,0]=3 277 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)Br 7a_100000736428_100000737910 [0,0,0,0,0,1|2,0,0]=3 278 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)I 34a_100010084509_100000737910 [0,0,0,0,0,1|2,0,0]=3 279 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)I 7a_100010084509_100000737910 [0,0,0,0,0,1|2,0,0]=3 280 B16R2.25778 Brc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100009994525 [0,0,0,0,0,1|2,0,0]=3 281 B16R2.25778 Brc1cccc(c1SCC2=NCCN2)Br 62a_100009994525_100000737910 [0,0,0,0,0,1|2,0,0]=3 282 B16R2.25778 Brc1cncc(c1SCC2=NCCN2)Br 62a_100000737910_100010172828 [0,0,0,0,0,1|3,0,0]=4 283 B16R2.25778 Brc1cncc(c1SCC2=NCCN2)Br 62a_100010172828_100000737910 [0,0,0,0,0,1|3,0,0]=4 284 B16R2.25778 Cc1ccc[n+](c1SCC2=NCCN2)[O-] 62a_100000737910_100116209805 [0,0,0,0,0,1|2,0,0]=3 285 B16R2.25778 Cc1cccc(c1CNC2CCCC2)C 207a_100000211070_100000758299 [0,0,0,0,0,1|2,0,1]=4 286 B16R2.25778 Cc1cccc(c1CNC2CCCC2)C 2230a_100000211070_100000758300 [0,0,0,0,0,1|2,0,1]=4 287 B16R2.25778 Cc1cccc(c1CNC2CCCC2)C 270004a_100000211070_100000758299 [0,0,0,0,0,1|2,0,1]=4 288 B16R2.25778 Cc1cccc(c1CNC2CCCC2)C 270004a_100000689800_100000210133 [0,0,0,0,0,1|2,0,1]=4 289 B16R2.25778 Cc1cccc(c1CNC2CCCC2)C 34a_100000211070_100000758300 [0,0,0,0,0,1|2,0,1]=4 290 B16R2.25778 Cc1cccc(c1CNC2CCCC2)C 34a_100000689800_100000179811 [0,0,0,0,0,1|2,0,1]=4 291 B16R2.25778 Cc1cccc(c1CNc2ncns2)C 27a_100000689800_100000693119 [0,0,0,0,0,1|2,0,1]=4 292 B16R2.25778 Cc1cccc(c1CNc2nncs2)C 27a_100000689800_100000739804 [0,0,0,0,0,1|2,0,1]=4 293 B16R2.25778 Cc1cccc(c1COC2CCCC2)C 34a_100000210269_100000758300 [0,0,0,0,0,1|2,0,1]=4 294 B16R2.25778 Cc1cccc(c1COC2CCCC2)C 34a_100011933981_100000179811 [0,0,0,0,0,1|2,0,1]=4 295 B16R2.25778 Cc1cccc(c1COC2CCCC2)C 7a_100000210269_100000758300 [0,0,0,0,0,1|2,0,1]=4 296 B16R2.25778 Cc1cccc(c1COC2CCCC2)C 7a_100011933981_100000179811 [0,0,0,0,0,1|2,0,1]=4 297 B16R2.25778 Cc1cccc(c1COC2CCCO2)C 34a_100000085407_100000758300 [0,0,0,0,0,1|2,0,1]=4 298 B16R2.25778 Cc1cccc(c1CSC2CCCC2)C 62a_100000758300_100000179811 [0,0,0,0,0,1|2,0,1]=4 299 B16R2.25778 Cc1cccc(c1CSC2CCCC2)C 62a_100011217020_100000758300 [0,0,0,0,0,1|2,0,1]=4 300 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)C 62a_100000756875_100000758300 [0,0,0,0,0,1|2,0,1]=4 301 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)C 62a_100000758300_100000756875 [0,0,0,0,0,1|2,0,1]=4 302 B16R2.25778 Cc1cccc(c1CSc2c[nH]nn2)C 62a_100000758300_100009819707 [0,0,0,0,0,1|3,0,0]=4 303 B16R2.25778 Cc1cccc(c1CSc2c[nH]nn2)C 62a_100009819707_100000758300 [0,0,0,0,0,1|3,0,0]=4 304 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)C 62a_100000062575_100000758300 [0,0,0,0,0,1|2,0,1]=4 305 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)C 62a_100000758300_100000062575 [0,0,0,0,0,1|2,0,1]=4 306 B16R2.25778 Cc1cccc(c1CSc2ccon2)C 62a_100000758300_100009818083 [0,0,0,0,0,1|2,0,1]=4 307 B16R2.25778 Cc1cccc(c1CSc2ccon2)C 62a_100009818083_100000758300 [0,0,0,0,0,1|2,0,1]=4 308 B16R2.25778 Cc1cccc(c1CSc2ccsn2)C 62a_100000758300_100009818082 [0,0,0,0,0,1|2,0,1]=4 309 B16R2.25778 Cc1cccc(c1CSc2ccsn2)C 62a_100009818082_100000758300 [0,0,0,0,0,1|2,0,1]=4 310 B16R2.25778 Cc1cccc(c1CSc2cscn2)C 62a_100000751502_100000758300 [0,0,0,0,0,1|2,0,1]=4 311 B16R2.25778 Cc1cccc(c1CSc2cscn2)C 62a_100000758300_100000751502 [0,0,0,0,0,1|2,0,1]=4 312 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)C 62a_100000758300_100000761765 [0,0,0,0,0,1|1,0,2]=4 313 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)C 62a_100000761765_100000758300 [0,0,0,0,0,1|1,0,2]=4 314 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)Br 62a_100010146847_100025796157 [0,0,0,0,0,1|1,0,2]=4 315 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)Br 62a_100025796157_100010146847 [0,0,0,0,0,1|1,0,2]=4 316 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)C 62a_100000758300_100025796157 [0,0,0,0,0,1|0,0,2]=3 317 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)C 62a_100025796157_100000758300 [0,0,0,0,0,1|0,0,2]=3 318 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)F 62a_100009814554_100025796157 [0,0,0,0,0,1|1,0,2]=4 319 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)F 62a_100025796157_100009814554 [0,0,0,0,0,1|1,0,2]=4 320 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)I 62a_100010150146_100025796157 [0,0,0,0,0,1|1,0,2]=4 321 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)I 62a_100025796157_100010150146 [0,0,0,0,0,1|1,0,2]=4 322 B16R2.25778 Cc1cccc(c1CSc2ncco2)C 62a_100000758300_100011787736 [0,0,0,0,0,1|1,0,2]=4 323 B16R2.25778 Cc1cccc(c1CSc2ncco2)C 62a_100011787736_100000758300 [0,0,0,0,0,1|1,0,2]=4 324 B16R2.25778 Cc1cccc(c1CSc2nccs2)C 62a_100000211983_100000758300 [0,0,0,0,0,1|1,0,2]=4 325 B16R2.25778 Cc1cccc(c1CSc2nccs2)C 62a_100000758300_100000211983 [0,0,0,0,0,1|1,0,2]=4 326 B16R2.25778 Cc1cccc(c1CSc2ncns2)C 62a_100000693119_100000758300 [0,0,0,0,0,1|2,0,1]=4 327 B16R2.25778 Cc1cccc(c1CSc2ncns2)C 62a_100000758300_100000693119 [0,0,0,0,0,1|2,0,1]=4 328 B16R2.25778 Cc1cccc(c1CSc2nncs2)C 62a_100000739804_100000758300 [0,0,0,0,0,1|2,0,1]=4 329 B16R2.25778 Cc1cccc(c1CSc2nncs2)C 62a_100000758300_100000739804 [0,0,0,0,0,1|2,0,1]=4 330 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Br 34a_100011834072_100000737910 [0,0,0,0,0,1|1,0,0]=2 331 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)C 34a_100000185769_100000737910 [0,0,0,0,0,1|0,0,0]=1 332 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Cl 34a_100000756524_100000737910 [0,0,0,0,0,1|1,0,0]=2 333 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)F 34a_100000766463_100000737910 [0,0,0,0,0,1|1,0,0]=2 334 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)O 34a_100000743429_100000737910 [0,0,0,0,0,1|1,0,0]=2 335 B16R2.25778 Cc1cccc(c1NCC2CCCC2)C 34a_100000185769_100000740388 [0,0,0,0,0,1|2,0,1]=4 336 B16R2.25778 Cc1cccc(c1NCC2OCCO2)C 34a_100000185769_100000755774 [0,0,0,0,0,1|2,0,1]=4 337 B16R2.25778 Cc1cccc(c1NCc2c[nH]cn2)C 34a_100000185769_100000707719 [0,0,0,0,0,1|2,0,1]=4 338 B16R2.25778 Cc1cccc(c1NCc2cc[nH]n2)C 207a_100000185769_100000738523 [0,0,0,0,0,1|2,0,1]=4 339 B16R2.25778 Cc1cccc(c1NCc2ccn[nH]2)C 34a_100000185769_100000728653 [0,0,0,0,0,1|2,0,1]=4 340 B16R2.25778 Cc1cccc(c1NCc2ccon2)C 34a_100000185769_100000234950 [0,0,0,0,0,1|2,0,1]=4 341 B16R2.25778 Cc1cccc(c1NCc2cnc[nH]2)C 207a_100000185769_100000742939 [0,0,0,0,0,1|2,0,1]=4 342 B16R2.25778 Cc1cccc(c1NCc2cscn2)C 207a_100000185769_100000743575 [0,0,0,0,0,1|2,0,1]=4 343 B16R2.25778 Cc1cccc(c1NCc2cscn2)C 34a_100000185769_100000205941 [0,0,0,0,0,1|2,0,1]=4 344 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)Br 34a_100011834072_100016991755 [0,0,0,0,0,1|1,0,2]=4 345 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)C 207a_100000185769_100000743867 [0,0,0,0,0,1|0,0,2]=3 346 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)C 34a_100000185769_100016991755 [0,0,0,0,0,1|0,0,2]=3 347 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000756524_100016991755 [0,0,0,0,0,1|1,0,2]=4 348 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)F 207a_100000766463_100000743867 [0,0,0,0,0,1|1,0,2]=4 349 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)F 34a_100000766463_100016991755 [0,0,0,0,0,1|1,0,2]=4 350 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)O 34a_100000743429_100016991755 [0,0,0,0,0,1|1,0,2]=4 351 B16R2.25778 Cc1cccc(c1NCc2ncco2)C 34a_100000185769_103436540062 [0,0,0,0,0,1|1,0,2]=4 352 B16R2.25778 Cc1cccc(c1NCc2nccs2)C 207a_100000185769_100000750902 [0,0,0,0,0,1|1,0,2]=4 353 B16R2.25778 Cc1cccc(c1NCc2nccs2)C 34a_100000185769_100015184050 [0,0,0,0,0,1|1,0,2]=4 354 B16R2.25778 Cc1cccc(c1NCc2ncon2)C 34a_100000185769_100000233494 [0,0,0,0,0,1|1,0,2]=4 355 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)Br 34a_100011834072_100000765167 [0,0,0,0,0,1|3,0,0]=4 356 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)C 34a_100000185769_100000765167 [0,0,0,0,0,1|2,0,0]=3 357 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)Cl 34a_100000756524_100000765167 [0,0,0,0,0,1|3,0,0]=4 358 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)F 34a_100000766463_100000765167 [0,0,0,0,0,1|3,0,0]=4 359 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)O 34a_100000743429_100000765167 [0,0,0,0,0,1|3,0,0]=4 360 B16R2.25778 Cc1cccc(c1NN=C2CCCC2)C 4a_100016987787_100000210133 [0,0,0,0,0,1|3,0,0]=4 361 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Br 34a_100009817157_100000737910 [0,0,0,0,0,1|1,0,0]=2 362 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Br 7a_100009817157_100000737910 [0,0,0,0,0,1|1,0,0]=2 363 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 34a_100000210341_100000737910 [0,0,0,0,0,1|0,0,0]=1 364 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 7a_100000210341_100000737910 [0,0,0,0,0,1|0,0,0]=1 365 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 34a_100000033731_100000737910 [0,0,0,0,0,1|1,0,0]=2 366 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 7a_100000033731_100000737910 [0,0,0,0,0,1|1,0,0]=2 367 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)F 34a_100011659162_100000737910 [0,0,0,0,0,1|1,0,0]=2 368 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)F 7a_100011659162_100000737910 [0,0,0,0,0,1|1,0,0]=2 369 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)N 34a_100000756359_100000737910 [0,0,0,0,0,1|1,0,0]=2 370 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)N 7a_100000756359_100000737910 [0,0,0,0,0,1|1,0,0]=2 371 B16R2.25778 Cc1cccc(c1OCC2CCCC2)C 34a_100000210341_100000740388 [0,0,0,0,0,1|2,0,1]=4 372 B16R2.25778 Cc1cccc(c1OCC2CCCC2)C 7a_100000210341_100000740388 [0,0,0,0,0,1|2,0,1]=4 373 B16R2.25778 Cc1cccc(c1OCC2CCCO2)C 7a_100000210341_100000203698 [0,0,0,0,0,1|2,0,1]=4 374 B16R2.25778 Cc1cccc(c1OCC2OCCO2)C 34a_100000210341_100000755774 [0,0,0,0,0,1|2,0,1]=4 375 B16R2.25778 Cc1cccc(c1OCC2OCCO2)C 7a_100000210341_100000755774 [0,0,0,0,0,1|2,0,1]=4 376 B16R2.25778 Cc1cccc(c1OCc2c[nH]cn2)C 34a_100000210341_100000707719 [0,0,0,0,0,1|2,0,1]=4 377 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)C 34a_100000210341_100000728653 [0,0,0,0,0,1|2,0,1]=4 378 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)C 7a_100000210341_100000728653 [0,0,0,0,0,1|2,0,1]=4 379 B16R2.25778 Cc1cccc(c1OCc2ccon2)C 34a_100000210341_100000234950 [0,0,0,0,0,1|2,0,1]=4 380 B16R2.25778 Cc1cccc(c1OCc2ccon2)C 7a_100000210341_100000234950 [0,0,0,0,0,1|2,0,1]=4 381 B16R2.25778 Cc1cccc(c1OCc2cscn2)C 34a_100000210341_100000205941 [0,0,0,0,0,1|2,0,1]=4 382 B16R2.25778 Cc1cccc(c1OCc2cscn2)C 7a_100000210341_100000205941 [0,0,0,0,0,1|2,0,1]=4 383 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Br 34a_100009817157_100016991755 [0,0,0,0,0,1|1,0,2]=4 384 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Br 7a_100009817157_100000753453 [0,0,0,0,0,1|1,0,2]=4 385 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)C 34a_100000210341_100016991755 [0,0,0,0,0,1|0,0,2]=3 386 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)C 7a_100000210341_100000753453 [0,0,0,0,0,1|0,0,2]=3 387 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000033731_100016991755 [0,0,0,0,0,1|1,0,2]=4 388 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Cl 7a_100000033731_100000753453 [0,0,0,0,0,1|1,0,2]=4 389 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)F 34a_100011659162_100016991755 [0,0,0,0,0,1|1,0,2]=4 390 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)F 7a_100011659162_100000753453 [0,0,0,0,0,1|1,0,2]=4 391 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)N 34a_100000756359_100016991755 [0,0,0,0,0,1|1,0,2]=4 392 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)N 7a_100000756359_100000753453 [0,0,0,0,0,1|1,0,2]=4 393 B16R2.25778 Cc1cccc(c1OCc2ncco2)C 34a_100000210341_103436540062 [0,0,0,0,0,1|1,0,2]=4 394 B16R2.25778 Cc1cccc(c1OCc2ncco2)C 7a_100000210341_103436540062 [0,0,0,0,0,1|1,0,2]=4 395 B16R2.25778 Cc1cccc(c1OCc2nccs2)C 34a_100000210341_100015184050 [0,0,0,0,0,1|1,0,2]=4 396 B16R2.25778 Cc1cccc(c1OCc2nccs2)C 7a_100000210341_100015184050 [0,0,0,0,0,1|1,0,2]=4 397 B16R2.25778 Cc1cccc(c1OCc2ncon2)C 34a_100000210341_100000233494 [0,0,0,0,0,1|1,0,2]=4 398 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Br 34a_100009817157_100000765167 [0,0,0,0,0,1|3,0,0]=4 399 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Br 7a_100009817157_100000765167 [0,0,0,0,0,1|3,0,0]=4 400 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)C 34a_100000210341_100000765167 [0,0,0,0,0,1|2,0,0]=3 401 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)C 7a_100000210341_100000765167 [0,0,0,0,0,1|2,0,0]=3 402 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Cl 34a_100000033731_100000765167 [0,0,0,0,0,1|3,0,0]=4 403 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Cl 7a_100000033731_100000765167 [0,0,0,0,0,1|3,0,0]=4 404 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)F 34a_100011659162_100000765167 [0,0,0,0,0,1|3,0,0]=4 405 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)F 7a_100011659162_100000765167 [0,0,0,0,0,1|3,0,0]=4 406 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)N 34a_100000756359_100000765167 [0,0,0,0,0,1|3,0,0]=4 407 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)N 7a_100000756359_100000765167 [0,0,0,0,0,1|3,0,0]=4 408 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010141302 [0,0,0,0,0,1|1,0,0]=2 409 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Br 62a_100010141302_100000737910 [0,0,0,0,0,1|1,0,0]=2 410 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000033847_100000737910 [0,0,0,0,0,1|0,0,0]=1 411 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000033847 [0,0,0,0,0,1|0,0,0]=1 412 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000043165_100000737910 [0,0,0,0,0,1|1,0,0]=2 413 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000043165 [0,0,0,0,0,1|1,0,0]=2 414 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100011218421 [0,0,0,0,0,1|1,0,0]=2 415 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)F 62a_100011218421_100000737910 [0,0,0,0,0,1|1,0,0]=2 416 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)N 62a_100000684715_100000737910 [0,0,0,0,0,1|1,0,0]=2 417 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)N 62a_100000737910_100000684715 [0,0,0,0,0,1|1,0,0]=2 418 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000686692_100000737910 [0,0,0,0,0,1|1,0,0]=2 419 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100000686692 [0,0,0,0,0,1|1,0,0]=2 420 B16R2.25778 Cc1cccc(c1SCC2CCCC2)C 62a_100000033847_100000740388 [0,0,0,0,0,1|2,0,1]=4 421 B16R2.25778 Cc1cccc(c1SCC2CCCC2)C 62a_100000740388_100000033847 [0,0,0,0,0,1|2,0,1]=4 422 B16R2.25778 Cc1cccc(c1SCC2CCCO2)C 62a_100000033847_100000203698 [0,0,0,0,0,1|2,0,1]=4 423 B16R2.25778 Cc1cccc(c1SCC2CCCO2)C 62a_100000203698_100000033847 [0,0,0,0,0,1|2,0,1]=4 424 B16R2.25778 Cc1cccc(c1SCC2OCCO2)C 62a_100000033847_100000755774 [0,0,0,0,0,1|2,0,1]=4 425 B16R2.25778 Cc1cccc(c1SCC2OCCO2)C 62a_100000755774_100000033847 [0,0,0,0,0,1|2,0,1]=4 426 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)C 62a_100000033847_100000707719 [0,0,0,0,0,1|2,0,1]=4 427 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)C 62a_100000707719_100000033847 [0,0,0,0,0,1|2,0,1]=4 428 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)C 62a_100000033847_100000728653 [0,0,0,0,0,1|2,0,1]=4 429 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)C 62a_100000728653_100000033847 [0,0,0,0,0,1|2,0,1]=4 430 B16R2.25778 Cc1cccc(c1SCc2ccon2)C 62a_100000033847_100000234950 [0,0,0,0,0,1|2,0,1]=4 431 B16R2.25778 Cc1cccc(c1SCc2ccon2)C 62a_100000234950_100000033847 [0,0,0,0,0,1|2,0,1]=4 432 B16R2.25778 Cc1cccc(c1SCc2cscn2)C 62a_100000033847_100000205941 [0,0,0,0,0,1|2,0,1]=4 433 B16R2.25778 Cc1cccc(c1SCc2cscn2)C 62a_100000205941_100000033847 [0,0,0,0,0,1|2,0,1]=4 434 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)Br 62a_100010141302_100016991755 [0,0,0,0,0,1|1,0,2]=4 435 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010141302 [0,0,0,0,0,1|1,0,2]=4 436 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)C 62a_100000033847_100016991755 [0,0,0,0,0,1|0,0,2]=3 437 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)C 62a_100016991755_100000033847 [0,0,0,0,0,1|0,0,2]=3 438 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)Cl 62a_100000043165_100016991755 [0,0,0,0,0,1|1,0,2]=4 439 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000043165 [0,0,0,0,0,1|1,0,2]=4 440 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)F 62a_100011218421_100016991755 [0,0,0,0,0,1|1,0,2]=4 441 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100011218421 [0,0,0,0,0,1|1,0,2]=4 442 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)N 62a_100000684715_100016991755 [0,0,0,0,0,1|1,0,2]=4 443 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)N 62a_100016991755_100000684715 [0,0,0,0,0,1|1,0,2]=4 444 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)O 62a_100000686692_100016991755 [0,0,0,0,0,1|1,0,2]=4 445 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)O 62a_100016991755_100000686692 [0,0,0,0,0,1|1,0,2]=4 446 B16R2.25778 Cc1cccc(c1SCc2ncco2)C 62a_100000033847_103436540062 [0,0,0,0,0,1|1,0,2]=4 447 B16R2.25778 Cc1cccc(c1SCc2ncco2)C 62a_103436540062_100000033847 [0,0,0,0,0,1|1,0,2]=4 448 B16R2.25778 Cc1cccc(c1SCc2nccs2)C 62a_100000033847_100015184050 [0,0,0,0,0,1|1,0,2]=4 449 B16R2.25778 Cc1cccc(c1SCc2nccs2)C 62a_100015184050_100000033847 [0,0,0,0,0,1|1,0,2]=4 450 B16R2.25778 Cc1cccc(c1SCc2ncon2)C 62a_100000033847_100000233494 [0,0,0,0,0,1|1,0,2]=4 451 B16R2.25778 Cc1cccc(c1SCc2ncon2)C 62a_100000233494_100000033847 [0,0,0,0,0,1|1,0,2]=4 452 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)Br 62a_100000765167_100010141302 [0,0,0,0,0,1|3,0,0]=4 453 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)Br 62a_100010141302_100000765167 [0,0,0,0,0,1|3,0,0]=4 454 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)C 62a_100000033847_100000765167 [0,0,0,0,0,1|2,0,0]=3 455 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)C 62a_100000765167_100000033847 [0,0,0,0,0,1|2,0,0]=3 456 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)Cl 62a_100000043165_100000765167 [0,0,0,0,0,1|3,0,0]=4 457 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)Cl 62a_100000765167_100000043165 [0,0,0,0,0,1|3,0,0]=4 458 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)F 62a_100000765167_100011218421 [0,0,0,0,0,1|3,0,0]=4 459 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)F 62a_100011218421_100000765167 [0,0,0,0,0,1|3,0,0]=4 460 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)N 62a_100000684715_100000765167 [0,0,0,0,0,1|3,0,0]=4 461 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)N 62a_100000765167_100000684715 [0,0,0,0,0,1|3,0,0]=4 462 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)O 62a_100000686692_100000765167 [0,0,0,0,0,1|3,0,0]=4 463 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)O 62a_100000765167_100000686692 [0,0,0,0,0,1|3,0,0]=4 464 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)C 34a_100011934651_100000737910 [0,0,0,0,0,1|1,0,0]=2 465 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)C 7a_100011934651_100000737910 [0,0,0,0,0,1|1,0,0]=2 466 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)Cl 34a_100000696282_100000737910 [0,0,0,0,0,1|2,0,0]=3 467 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)Cl 7a_100000696282_100000737910 [0,0,0,0,0,1|2,0,0]=3 468 B16R2.25778 Cc1ccnc(c1OCc2ncc[nH]2)C 34a_100011934651_100016991755 [0,0,0,0,0,1|1,0,2]=4 469 B16R2.25778 Cc1ccnc(c1OCc2ncc[nH]2)C 7a_100011934651_100000753453 [0,0,0,0,0,1|1,0,2]=4 470 B16R2.25778 Cc1ccnc(c1OCc2nnn[nH]2)C 34a_100011934651_100000765167 [0,0,0,0,0,1|3,0,0]=4 471 B16R2.25778 Cc1ccnc(c1OCc2nnn[nH]2)C 7a_100011934651_100000765167 [0,0,0,0,0,1|3,0,0]=4 472 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)C 62a_100000737910_100012000501 [0,0,0,0,0,1|1,0,0]=2 473 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)C 62a_100012000501_100000737910 [0,0,0,0,0,1|1,0,0]=2 474 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100010248874 [0,0,0,0,0,1|2,0,0]=3 475 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)Cl 62a_100010248874_100000737910 [0,0,0,0,0,1|2,0,0]=3 476 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)F 62a_100000737910_100009818256 [0,0,0,0,0,1|2,0,0]=3 477 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)F 62a_100009818256_100000737910 [0,0,0,0,0,1|2,0,0]=3 478 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)N 62a_100000737910_100011998619 [0,0,0,0,0,1|2,0,0]=3 479 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)N 62a_100011998619_100000737910 [0,0,0,0,0,1|2,0,0]=3 480 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)O 62a_100000737910_100012000493 [0,0,0,0,0,1|2,0,0]=3 481 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)O 62a_100012000493_100000737910 [0,0,0,0,0,1|2,0,0]=3 482 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)C 62a_100012000501_100016991755 [0,0,0,0,0,1|1,0,2]=4 483 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)C 62a_100016991755_100012000501 [0,0,0,0,0,1|1,0,2]=4 484 B16R2.25778 Cc1ccnc(c1SCc2nnn[nH]2)C 62a_100000765167_100012000501 [0,0,0,0,0,1|3,0,0]=4 485 B16R2.25778 Cc1ccnc(c1SCc2nnn[nH]2)C 62a_100012000501_100000765167 [0,0,0,0,0,1|3,0,0]=4 486 B16R2.25778 Cc1cncc(c1SCC2=NCCN2)C 62a_100000737910_100009817138 [0,0,0,0,0,1|1,0,0]=2 487 B16R2.25778 Cc1cncc(c1SCC2=NCCN2)C 62a_100009817138_100000737910 [0,0,0,0,0,1|1,0,0]=2 488 B16R2.25778 Cc1cncc(c1SCc2ncc[nH]2)C 62a_100009817138_100016991755 [0,0,0,0,0,1|1,0,2]=4 489 B16R2.25778 Cc1cncc(c1SCc2ncc[nH]2)C 62a_100016991755_100009817138 [0,0,0,0,0,1|1,0,2]=4 490 B16R2.25778 Cc1cncc(c1SCc2nnn[nH]2)C 62a_100000765167_100009817138 [0,0,0,0,0,1|3,0,0]=4 491 B16R2.25778 Cc1cncc(c1SCc2nnn[nH]2)C 62a_100009817138_100000765167 [0,0,0,0,0,1|3,0,0]=4 492 B16R2.25778 Cc1nc[nH]c(=O)c1SCC2=NCCN2 62a_100000737910_100011356812 [0,0,0,0,0,1|3,0,0]=4 493 B16R2.25778 Cc1nc[nH]c(=O)c1SCC2=NCCN2 62a_100011356812_100000737910 [0,0,0,0,0,1|3,0,0]=4 494 B16R2.25778 Cc1nccc(c1SCC2=NCCN2)N 62a_100000737910_100010243816 [0,0,0,0,0,1|2,0,0]=3 495 B16R2.25778 Cc1nccc(c1SCC2=NCCN2)N 62a_100010243816_100000737910 [0,0,0,0,0,1|2,0,0]=3 496 B16R2.25778 Cc1ncnc(c1OCC2=NCCN2)C 34a_100009878406_100000737910 [0,0,0,0,0,1|2,0,0]=3 497 B16R2.25778 Cc1ncnc(c1OCC2=NCCN2)C 7a_100009878406_100000737910 [0,0,0,0,0,1|2,0,0]=3 498 B16R2.25778 Cc1ncnc(c1SCC2=NCCN2)C 62a_100000737910_100009820708 [0,0,0,0,0,1|2,0,0]=3 499 B16R2.25778 Cc1ncnc(c1SCC2=NCCN2)C 62a_100009820708_100000737910 [0,0,0,0,0,1|2,0,0]=3 500 B16R2.25778 Cc1ncnc(c1SCC2=NCCN2)Cl 62a_100000737910_100012356128 [0,0,0,0,0,1|3,0,0]=4 501 B16R2.25778 Cc1ncnc(c1SCC2=NCCN2)Cl 62a_100012356128_100000737910 [0,0,0,0,0,1|3,0,0]=4 502 B16R2.25778 Cc1ncnc(c1SCC2=NCCN2)N 62a_100000737910_100011996190 [0,0,0,0,0,1|3,0,0]=4 503 B16R2.25778 Cc1ncnc(c1SCC2=NCCN2)N 62a_100011996190_100000737910 [0,0,0,0,0,1|3,0,0]=4 504 B16R2.25778 Cc1occc(=O)c1OCC2=NCCN2 34a_100000031901_100000737910 [0,0,0,0,0,1|2,0,0]=3 505 B16R2.25778 Clc1cccc(c1NCC2=NCCN2)Br 34a_100102946385_100000737910 [0,0,0,0,0,1|2,0,0]=3 506 B16R2.25778 Clc1cccc(c1NCC2=NCCN2)Cl 34a_100000210028_100000737910 [0,0,0,0,0,1|2,0,0]=3 507 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Br 34a_100010214474_100000737910 [0,0,0,0,0,1|2,0,0]=3 508 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Br 7a_100010214474_100000737910 [0,0,0,0,0,1|2,0,0]=3 509 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl 34a_100000211709_100000737910 [0,0,0,0,0,1|2,0,0]=3 510 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl 7a_100000211709_100000737910 [0,0,0,0,0,1|2,0,0]=3 511 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)I 34a_100010202889_100000737910 [0,0,0,0,0,1|2,0,0]=3 512 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)I 7a_100010202889_100000737910 [0,0,0,0,0,1|2,0,0]=3 513 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010214488 [0,0,0,0,0,1|2,0,0]=3 514 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Br 62a_100010214488_100000737910 [0,0,0,0,0,1|2,0,0]=3 515 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Cl 62a_100000034237_100000737910 [0,0,0,0,0,1|2,0,0]=3 516 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000034237 [0,0,0,0,0,1|2,0,0]=3 517 B16R2.25778 Clc1ccnc(c1OCC2=NCCN2)Cl 34a_100000118450_100000737910 [0,0,0,0,0,1|3,0,0]=4 518 B16R2.25778 Clc1ccnc(c1OCC2=NCCN2)Cl 7a_100000118450_100000737910 [0,0,0,0,0,1|3,0,0]=4 519 B16R2.25778 Clc1ccnc(c1SCC2=NCCN2)Cl 62a_100000050019_100000737910 [0,0,0,0,0,1|3,0,0]=4 520 B16R2.25778 Clc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050019 [0,0,0,0,0,1|3,0,0]=4 521 B16R2.25778 Clc1cncc(c1SCC2=NCCN2)Cl 62a_100000036193_100000737910 [0,0,0,0,0,1|3,0,0]=4 522 B16R2.25778 Clc1cncc(c1SCC2=NCCN2)Cl 62a_100000737910_100000036193 [0,0,0,0,0,1|3,0,0]=4 523 B16R2.25778 Clc1nccc(c1OCC2=NCCN2)I 34a_100010067911_100000737910 [0,0,0,0,0,1|3,0,0]=4 524 B16R2.25778 Clc1nccc(c1OCC2=NCCN2)I 7a_100010067911_100000737910 [0,0,0,0,0,1|3,0,0]=4 525 B16R2.25778 Clc1nccc(c1SCC2=NCCN2)Br 62a_100000737910_100009814607 [0,0,0,0,0,1|3,0,0]=4 526 B16R2.25778 Clc1nccc(c1SCC2=NCCN2)Br 62a_100009814607_100000737910 [0,0,0,0,0,1|3,0,0]=4 527 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)Br 34a_100000684712_100000737910 [0,0,0,0,0,1|2,0,0]=3 528 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)Cl 34a_100000760031_100000737910 [0,0,0,0,0,1|2,0,0]=3 529 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)F 34a_100000210704_100000737910 [0,0,0,0,0,1|2,0,0]=3 530 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)I 34a_100000042321_100000737910 [0,0,0,0,0,1|2,0,0]=3 531 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Br 34a_100009813666_100000737910 [0,0,0,0,0,1|2,0,0]=3 532 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Br 7a_100009813666_100000737910 [0,0,0,0,0,1|2,0,0]=3 533 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Cl 34a_100000694953_100000737910 [0,0,0,0,0,1|2,0,0]=3 534 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Cl 7a_100000694953_100000737910 [0,0,0,0,0,1|2,0,0]=3 535 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)F 34a_100000230165_100000737910 [0,0,0,0,0,1|2,0,0]=3 536 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)F 7a_100000230165_100000737910 [0,0,0,0,0,1|2,0,0]=3 537 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)I 34a_100010186298_100000737910 [0,0,0,0,0,1|2,0,0]=3 538 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)I 7a_100010186298_100000737910 [0,0,0,0,0,1|2,0,0]=3 539 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100011219512 [0,0,0,0,0,1|2,0,0]=3 540 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Br 62a_100011219512_100000737910 [0,0,0,0,0,1|2,0,0]=3 541 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Cl 62a_100000050007_100000737910 [0,0,0,0,0,1|2,0,0]=3 542 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050007 [0,0,0,0,0,1|2,0,0]=3 543 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)F 62a_100000693133_100000737910 [0,0,0,0,0,1|2,0,0]=3 544 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000693133 [0,0,0,0,0,1|2,0,0]=3 545 B16R2.25778 Fc1ccnc(c1OCC2=NCCN2)Cl 34a_100009867227_100000737910 [0,0,0,0,0,1|3,0,0]=4 546 B16R2.25778 Fc1ccnc(c1OCC2=NCCN2)Cl 7a_100009867227_100000737910 [0,0,0,0,0,1|3,0,0]=4 547 B16R2.25778 Fc1ccnc(c1SCC2=NCCN2)Cl 62a_100000716511_100000737910 [0,0,0,0,0,1|3,0,0]=4 548 B16R2.25778 Fc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100000716511 [0,0,0,0,0,1|3,0,0]=4 549 B16R2.25778 Fc1ccnc(c1SCC2=NCCN2)F 62a_100000737910_100009874084 [0,0,0,0,0,1|3,0,0]=4 550 B16R2.25778 Fc1ccnc(c1SCC2=NCCN2)F 62a_100009874084_100000737910 [0,0,0,0,0,1|3,0,0]=4 551 B16R2.25778 Fc1cncc(c1SCC2=NCCN2)F 62a_100000737910_100000760538 [0,0,0,0,0,1|3,0,0]=4 552 B16R2.25778 Fc1cncc(c1SCC2=NCCN2)F 62a_100000760538_100000737910 [0,0,0,0,0,1|3,0,0]=4 553 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)Br 34a_100011934915_100000737910 [0,0,0,0,0,1|2,0,0]=3 554 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)Cl 34a_100000754742_100000737910 [0,0,0,0,0,1|2,0,0]=3 555 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)F 34a_100011934987_100000737910 [0,0,0,0,0,1|2,0,0]=3 556 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)I 34a_100010084371_100000737910 [0,0,0,0,0,1|2,0,0]=3 557 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)N 34a_200016994477_100000737910 [0,0,0,0,0,1|2,0,0]=3 558 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100020590159 [0,0,0,0,0,1|2,0,0]=3 559 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Br 62a_100020590159_100000737910 [0,0,0,0,0,1|2,0,0]=3 560 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Cl 62a_100000049713_100000737910 [0,0,0,0,0,1|2,0,0]=3 561 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000049713 [0,0,0,0,0,1|2,0,0]=3 562 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)F 62a_100000690935_100000737910 [0,0,0,0,0,1|2,0,0]=3 563 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000690935 [0,0,0,0,0,1|2,0,0]=3 564 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100012183704 [0,0,0,0,0,1|2,0,0]=3 565 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)O 62a_100012183704_100000737910 [0,0,0,0,0,1|2,0,0]=3 566 B16R2.25778 Nc1ccnc(c1OCC2=NCCN2)Cl 34a_100009844647_100000737910 [0,0,0,0,0,1|3,0,0]=4 567 B16R2.25778 Nc1ccnc(c1OCC2=NCCN2)Cl 7a_100009844647_100000737910 [0,0,0,0,0,1|3,0,0]=4 568 B16R2.25778 Nc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100010208016 [0,0,0,0,0,1|3,0,0]=4 569 B16R2.25778 Nc1ccnc(c1SCC2=NCCN2)Cl 62a_100010208016_100000737910 [0,0,0,0,0,1|3,0,0]=4 570 B16R2.25778 Nc1ccnc(c1SCC2=NCCN2)F 62a_100000737910_100010381272 [0,0,0,0,0,1|3,0,0]=4 571 B16R2.25778 Nc1ccnc(c1SCC2=NCCN2)F 62a_100010381272_100000737910 [0,0,0,0,0,1|3,0,0]=4 572 B16R2.25778 Nc1nccc(c1SCC2=NCCN2)Cl 62a_100000737910_100010199028 [0,0,0,0,0,1|3,0,0]=4 573 B16R2.25778 Nc1nccc(c1SCC2=NCCN2)Cl 62a_100010199028_100000737910 [0,0,0,0,0,1|3,0,0]=4 574 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Br 34a_100011934926_100000737910 [0,0,0,0,0,1|2,0,0]=3 575 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Cl 34a_100012022510_100000737910 [0,0,0,0,0,1|2,0,0]=3 576 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)F 34a_100020591140_100000737910 [0,0,0,0,0,1|2,0,0]=3 577 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010187912 [0,0,0,0,0,1|2,0,0]=3 578 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Br 62a_100010187912_100000737910 [0,0,0,0,0,1|2,0,0]=3 579 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050174 [0,0,0,0,0,1|2,0,0]=3 580 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100009820682 [0,0,0,0,0,1|2,0,0]=3 581 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)F 62a_100009820682_100000737910 [0,0,0,0,0,1|2,0,0]=3 582 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100010205330 [0,0,0,0,0,1|2,0,0]=3 583 B16R2.25778 Oc1ccnc(c1SCC2=NCCN2)O 62a_100000737910_200009817435 [0,0,0,0,0,1|3,0,0]=4 584 B13R1.119 C/C=C/C=C/COCC1=NCCN1 34a_100016283227_100000737910 [1,0,1,0,0,0|1,0,1]=4 585 B13R1.4928 CCC(=O)Cc1c(cccc1Br)C 1458a_100000210414_100010146847 [1,0,1,0,0,0|2,0,0]=4 586 B13R1.4928 CCC(=O)Cc1c(cccc1Br)C 1458a_100010147022_100000210202 [1,0,1,0,0,0|2,0,0]=4 587 B13R1.4928 CCC(=O)Cc1c(cccc1C)C 1458a_100000210414_100000758300 [1,0,1,0,0,0|1,0,0]=3 588 B13R1.4928 CCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000210202 [1,0,1,0,0,0|1,0,0]=3 589 B13R1.4928 CCC(=O)Cc1c(cccc1F)C 1458a_100000210414_100009814554 [1,0,1,0,0,0|2,0,0]=4 590 B13R1.4928 CCC(=O)Cc1c(cccc1I)C 1458a_100000210414_100010150146 [1,0,1,0,0,0|2,0,0]=4 591 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 11a_100000185769_100000210414 [1,0,1,0,0,0|2,0,0]=4 592 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000210414 [1,0,1,0,0,0|2,0,0]=4 593 B13R1.4928 CCC(=O)Nc1c(cccc1C)C 22a_100000185769_100000210414 [1,0,1,0,0,0|2,0,0]=4 594 B13R1.4928 CCN(C)Cc1c(cccc1C)C 2230a_100000225621_100000758300 [1,0,1,0,0,0|2,0,0]=4 595 B13R1.4928 CCN(C)Cc1c(cccc1C)C 269982a_100000225621_100000758300 [1,0,1,0,0,0|2,0,0]=4 596 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 11a_106832991635_100010147022 [1,0,1,0,0,0|2,0,0]=4 597 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 1626a_100102657272_100010147022 [1,0,1,0,0,0|2,0,0]=4 598 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 240690a_100102657272_100010147022 [1,0,1,0,0,0|2,0,0]=4 599 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 527a_100102657272_100010147022 [1,0,1,0,0,0|2,0,0]=4 600 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 11a_106832991635_100000689862 [1,0,1,0,0,0|1,0,0]=3 601 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 1626a_100102657272_100000689862 [1,0,1,0,0,0|1,0,0]=3 602 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 240690a_100102657272_100000689862 [1,0,1,0,0,0|1,0,0]=3 603 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 527a_100102657272_100000689862 [1,0,1,0,0,0|1,0,0]=3 604 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100102657272 [1,0,1,0,0,0|2,0,0]=4 605 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 512a_106832991638_100000185769 [1,0,1,0,0,0|2,0,0]=4 606 B13R1.4928 Cc1cccc(c1CC(=O)CF)C 1458a_100000689862_100015361967 [1,0,1,0,0,0|2,0,0]=4 607 B13R1.4928 Cc1cccc(c1CC(=O)CO)C 1458a_100000210174_100000758300 [1,0,1,0,0,0|2,0,0]=4 608 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000211992_100000211839 [1,0,1,0,0,0|2,0,0]=4 609 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210303 [1,0,1,0,0,0|2,0,0]=4 610 B13R1.470 CCNC(=O)Cc1ccccc1Br 11a_100015525214_100000751119 [1,0,1,0,0,0|2,0,0]=4 611 B13R1.470 CCNC(=O)Cc1ccccc1Br 240690a_100015525214_100000751119 [1,0,1,0,0,0|2,0,0]=4 612 B13R1.470 CCNC(=O)Cc1ccccc1Br 527a_100015525214_100000751119 [1,0,1,0,0,0|2,0,0]=4 613 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [1,0,1,0,0,0|1,0,0]=3 614 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [1,0,1,0,0,0|1,0,0]=3 615 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [1,0,1,0,0,0|1,0,0]=3 616 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [1,0,1,0,0,0|2,0,0]=4 617 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [1,0,1,0,0,0|2,0,0]=4 618 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [1,0,1,0,0,0|2,0,0]=4 619 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [1,0,1,0,0,0|2,0,0]=4 620 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [1,0,1,0,0,0|2,0,0]=4 621 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [1,0,1,0,0,0|2,0,0]=4 622 B13R1.470 CCNC(=O)Cc1ccccc1I 11a_100015525214_100000036491 [1,0,1,0,0,0|2,0,0]=4 623 B13R1.470 CCNC(=O)Cc1ccccc1I 240690a_100015525214_100000036491 [1,0,1,0,0,0|2,0,0]=4 624 B13R1.470 CCNC(=O)Cc1ccccc1I 527a_100015525214_100000036491 [1,0,1,0,0,0|2,0,0]=4 625 B13R1.470 CCNC(=O)Cc1ccccc1O 240690a_100015525214_100000743006 [1,0,1,0,0,0|2,0,0]=4 626 B13R1.470 CCNC(=O)Cc1ccccc1O 271570a_203496583355_200009816148 [1,0,1,0,0,0|2,0,0]=4 627 B13R1.470 CCNC(=O)Cc1ccccc1O 527a_100015525214_100000743006 [1,0,1,0,0,0|2,0,0]=4 628 B13R1.470 CCNC(=O)Cc1ncccc1C 11a_100015525214_200000722269 [1,0,1,0,0,0|2,0,0]=4 629 B13R1.470 CCNC(=O)Cc1ncccc1C 240690a_100015525214_200000722269 [1,0,1,0,0,0|2,0,0]=4 630 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [1,0,1,0,0,0|2,0,0]=4 631 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [1,0,1,0,0,0|1,0,1]=4 632 B13R1.470 CNNC(=O)Cc1ccccc1C 22a_100016993582_100000212180 [1,0,1,0,0,0|2,0,0]=4 633 B13R1.8919 C#CCNCc1c(cccc1C)C 34a_100000212058_100000758300 [1,0,1,0,0,0|1,0,1]=4 634 B13R1.8919 C#CCNCc1c(cccc1C)C 34a_100000689800_100000184674 [1,0,1,0,0,0|1,0,1]=4 635 B13R1.8919 C=CCNCc1c(cccc1C)C 2230a_100020586998_100000758300 [1,0,1,0,0,0|1,0,1]=4 636 B13R1.8919 C=CCNCc1c(cccc1C)C 270004a_100020586998_100000758299 [1,0,1,0,0,0|1,0,1]=4 637 B13R1.8919 C=CCNCc1c(cccc1C)C 34a_100000689800_100015514636 [1,0,1,0,0,0|1,0,1]=4 638 B13R1.8919 CCCC=Cc1c(cccc1C)C 271570a_100016258520_100000033847 [1,0,1,0,0,0|1,0,1]=4 639 B13R1.8919 CCCNCc1c(cccc1Br)C 207a_100020643023_100009881667 [1,0,1,0,0,0|2,0,0]=4 640 B13R1.8919 CCCNCc1c(cccc1Br)C 270004a_100020643023_100009881667 [1,0,1,0,0,0|2,0,0]=4 641 B13R1.8919 CCCNCc1c(cccc1C)C 207a_100020643023_100000758299 [1,0,1,0,0,0|1,0,0]=3 642 B13R1.8919 CCCNCc1c(cccc1C)C 270004a_100020643023_100000758299 [1,0,1,0,0,0|1,0,0]=3 643 B13R1.8919 CCCNCc1c(cccc1C)C 34a_100000689800_100000210303 [1,0,1,0,0,0|1,0,0]=3 644 B13R1.8919 CCCNCc1c(cccc1Cl)C 207a_100020643023_100000041122 [1,0,1,0,0,0|2,0,0]=4 645 B13R1.8919 CCCNCc1c(cccc1Cl)C 270004a_100020643023_100000041122 [1,0,1,0,0,0|2,0,0]=4 646 B13R1.8919 CCCNCc1c(cccc1F)C 207a_100020643023_100000069827 [1,0,1,0,0,0|2,0,0]=4 647 B13R1.8919 CCCNCc1c(cccc1F)C 270004a_100020643023_100000069827 [1,0,1,0,0,0|2,0,0]=4 648 B13R1.8919 CCCNCc1c(cccc1F)C 34a_100000762012_100000210303 [1,0,1,0,0,0|2,0,0]=4 649 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100000210258_100000758300 [1,0,1,0,0,0|2,0,0]=4 650 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100011933981_100000210303 [1,0,1,0,0,0|2,0,0]=4 651 B13R1.8919 CCCOCc1c(cccc1C)C 7a_100011933981_100000210303 [1,0,1,0,0,0|2,0,0]=4 652 B13R1.8919 CCCSCc1c(cccc1C)C 62a_100000210303_100000758300 [1,0,1,0,0,0|2,0,0]=4 653 B13R1.8919 CCCSCc1c(cccc1C)C 62a_100000758300_100000210303 [1,0,1,0,0,0|2,0,0]=4 654 B13R1.8919 CCNN=Cc1c(cccc1C)C 4a_100000756455_100000758299 [1,0,1,0,0,0|1,0,1]=4 655 B13R1.8919 CCOC=Cc1c(cccc1C)C 271570a_100016256518_100000033847 [1,0,1,0,0,0|1,0,1]=4 656 B13R1.8919 CSCNCc1c(cccc1C)C 34a_100000689800_100011218213 [1,0,1,0,0,0|2,0,0]=4 657 B13R1.8919 Cc1cccc(c1CNCC=O)C 34a_100000689800_200009817547 [1,0,1,0,0,0|1,0,1]=4 658 B13R1.8919 Cc1cccc(c1CNCCF)Br 34a_100000724931_100010146847 [1,0,1,0,0,0|2,0,0]=4 659 B13R1.8919 Cc1cccc(c1CNCCF)C 34a_100000689800_100011217306 [1,0,1,0,0,0|1,0,0]=3 660 B13R1.8919 Cc1cccc(c1CNCCF)C 34a_100000724931_100000758300 [1,0,1,0,0,0|1,0,0]=3 661 B13R1.8919 Cc1cccc(c1CNCCF)F 34a_100000724931_100009814554 [1,0,1,0,0,0|2,0,0]=4 662 B13R1.8919 Cc1cccc(c1CNCCF)F 34a_100000762012_100011217306 [1,0,1,0,0,0|2,0,0]=4 663 B13R1.8919 Cc1cccc(c1CNCCF)I 34a_100000724931_100010150146 [1,0,1,0,0,0|2,0,0]=4 664 B13R1.8919 Cc1cccc(c1CNCCO)Br 207a_100000210304_100009881667 [1,0,1,0,0,0|2,0,0]=4 665 B13R1.8919 Cc1cccc(c1CNCCO)Br 2230a_100016997473_100010146847 [1,0,1,0,0,0|2,0,0]=4 666 B13R1.8919 Cc1cccc(c1CNCCO)Br 270004a_100000210304_100009881667 [1,0,1,0,0,0|2,0,0]=4 667 B13R1.8919 Cc1cccc(c1CNCCO)Br 34a_100016990907_100010146847 [1,0,1,0,0,0|2,0,0]=4 668 B13R1.8919 Cc1cccc(c1CNCCO)C 207a_100000210304_100000758299 [1,0,1,0,0,0|1,0,0]=3 669 B13R1.8919 Cc1cccc(c1CNCCO)C 2230a_100016997473_100000758300 [1,0,1,0,0,0|1,0,0]=3 670 B13R1.8919 Cc1cccc(c1CNCCO)C 270004a_100000210304_100000758299 [1,0,1,0,0,0|1,0,0]=3 671 B13R1.8919 Cc1cccc(c1CNCCO)C 34a_100000689800_100000211926 [1,0,1,0,0,0|1,0,0]=3 672 B13R1.8919 Cc1cccc(c1CNCCO)C 34a_100016990907_100000758300 [1,0,1,0,0,0|1,0,0]=3 673 B13R1.8919 Cc1cccc(c1CNCCO)Cl 207a_100000210304_100000041122 [1,0,1,0,0,0|2,0,0]=4 674 B13R1.8919 Cc1cccc(c1CNCCO)Cl 270004a_100000210304_100000041122 [1,0,1,0,0,0|2,0,0]=4 675 B13R1.8919 Cc1cccc(c1CNCCO)F 207a_100000210304_100000069827 [1,0,1,0,0,0|2,0,0]=4 676 B13R1.8919 Cc1cccc(c1CNCCO)F 2230a_100016997473_100009814554 [1,0,1,0,0,0|2,0,0]=4 677 B13R1.8919 Cc1cccc(c1CNCCO)F 270004a_100000210304_100000069827 [1,0,1,0,0,0|2,0,0]=4 678 B13R1.8919 Cc1cccc(c1CNCCO)F 34a_100000762012_100000211926 [1,0,1,0,0,0|2,0,0]=4 679 B13R1.8919 Cc1cccc(c1CNCCO)F 34a_100016990907_100009814554 [1,0,1,0,0,0|2,0,0]=4 680 B13R1.8919 Cc1cccc(c1CNCCO)I 2230a_100016997473_100010150146 [1,0,1,0,0,0|2,0,0]=4 681 B13R1.8919 Cc1cccc(c1CNCCO)I 34a_100016990907_100010150146 [1,0,1,0,0,0|2,0,0]=4 682 B13R1.8919 Cc1cccc(c1COCCBr)C 34a_100000211926_100000758300 [1,0,1,0,0,0|2,0,0]=4 683 B13R1.8919 Cc1cccc(c1COCCF)C 34a_100011933981_100011217306 [1,0,1,0,0,0|2,0,0]=4 684 B13R1.8919 Cc1cccc(c1COCCF)C 7a_100011933981_100011217306 [1,0,1,0,0,0|2,0,0]=4 685 B13R1.8919 Cc1cccc(c1COCCN)Br 34a_100000210304_100010146847 [1,0,1,0,0,0|2,0,0]=4 686 B13R1.8919 Cc1cccc(c1COCCN)C 34a_100000210304_100000758300 [1,0,1,0,0,0|1,0,0]=3 687 B13R1.8919 Cc1cccc(c1COCCN)F 34a_100000210304_100009814554 [1,0,1,0,0,0|2,0,0]=4 688 B13R1.8919 Cc1cccc(c1COCCN)I 34a_100000210304_100010150146 [1,0,1,0,0,0|2,0,0]=4 689 B13R1.8919 Cc1cccc(c1COCCO)C 34a_100011933981_100000211926 [1,0,1,0,0,0|2,0,0]=4 690 B13R1.8919 Cc1cccc(c1COCCO)C 7a_100011933981_100000211926 [1,0,1,0,0,0|2,0,0]=4 691 B13R1.8919 Cc1cccc(c1CSCCF)C 62a_100000758300_100011217306 [1,0,1,0,0,0|2,0,0]=4 692 B13R1.8919 Cc1cccc(c1CSCCF)C 62a_100011217306_100000758300 [1,0,1,0,0,0|2,0,0]=4 693 B13R1.8919 Cc1cccc(c1CSCCO)C 62a_100000211926_100000758300 [1,0,1,0,0,0|2,0,0]=4 694 B13R1.8919 Cc1cccc(c1CSCCO)C 62a_100000758300_100000211926 [1,0,1,0,0,0|2,0,0]=4 695 B13R1.555 CCCNCCc1ccccc1C 2230a_100000685071_100000210303 [1,0,1,0,0,0|1,0,1]=4 696 B13R1.555 CCCNCCc1ccccc1C 34a_100000685071_100000210303 [1,0,1,0,0,0|1,0,1]=4 697 B13R1.555 Cc1ccccc1CCNCCF 2230a_100000685071_100011217306 [1,0,1,0,0,0|1,0,1]=4 698 B13R1.555 Cc1ccccc1CCNCCF 34a_100000685071_100011217306 [1,0,1,0,0,0|1,0,1]=4 699 B13R1.555 Cc1ccccc1CCNCCF 34a_100000724931_100011713688 [1,0,1,0,0,0|1,0,1]=4 700 B13R1.555 Cc1ccccc1CCNCCO 2230a_100000685071_100000211926 [1,0,1,0,0,0|1,0,1]=4 701 B13R1.555 Cc1ccccc1CCNCCO 2230a_100016997473_100011713688 [1,0,1,0,0,0|1,0,1]=4 702 B13R1.555 Cc1ccccc1CCNCCO 34a_100000685071_100000211926 [1,0,1,0,0,0|1,0,1]=4 703 B13R1.555 Cc1ccccc1CCNCCO 34a_100016990907_100011713688 [1,0,1,0,0,0|1,0,1]=4 704 B13R1.555 Cc1ccccc1CCOCCN 34a_100000210304_100011713688 [1,0,1,0,0,0|1,0,1]=4 705 B13R1.555 Cc1ccccc1COCCCN 34a_100000182051_100000211839 [1,0,1,0,0,0|2,0,0]=4 706 B15R1.2560 CCNC(=O)Cc1c(cccc1OC)F 11a_100015525214_100011216732 [0,1,1,0,0,0|2,0,0]=4 707 B15R1.2560 CCNC(=O)Cc1c(cccc1OC)F 240690a_100015525214_100011216732 [0,1,1,0,0,0|2,0,0]=4 708 B15R1.2560 CCNC(=O)Cc1c(cccc1OC)F 527a_100015525214_100011216732 [0,1,1,0,0,0|2,0,0]=4 709 B15R1.2560 CCNC(=O)Nc1c(cccc1CC)C 2430a_100000210048_100015525214 [0,1,1,0,0,0|2,0,0]=4 710 B15R1.2560 CCNC(=O)Nc1c(cccc1OC)C 2430a_100000758225_100015525214 [0,1,1,0,0,0|2,0,0]=4 711 B15R1.2565 CCNC(=O)Nc1c(ccc(c1C)Br)C 2430a_200010074581_100015525214 [0,1,1,0,0,0|2,0,0]=4 712 B15R1.2565 CCNC(=O)Nc1c(ccc(c1C)Br)C 512a_100015525214_200010074581 [0,1,1,0,0,0|2,0,0]=4 713 B15R1.2565 CCNC(=O)Nc1c(ccc(c1C)C)C 2430a_100000117417_100015525214 [0,1,1,0,0,0|2,0,0]=4 714 B15R1.2565 CCNC(=O)Nc1c(ccc(c1C)C)C 512a_100015525214_100000117417 [0,1,1,0,0,0|2,0,0]=4 715 B15R1.2565 CCNC(=O)Nc1c(ccc(c1C)Cl)C 2430a_200020642106_100015525214 [0,1,1,0,0,0|2,0,0]=4 716 B15R1.2565 CCNC(=O)Nc1c(ccc(c1C)Cl)C 512a_100015525214_200020642106 [0,1,1,0,0,0|2,0,0]=4 717 B15R1.2565 CCNC(=O)Nc1c(ccc(c1C)I)C 2430a_200010115591_100015525214 [0,1,1,0,0,0|2,0,0]=4 718 B15R1.2565 CCNC(=O)Nc1c(ccc(c1C)I)C 512a_100015525214_200010115591 [0,1,1,0,0,0|2,0,0]=4 719 B15R1.8287 Cc1cccc(c1CC(=O)CC(C)C)C 1458a_100000210554_100000758300 [0,1,1,0,0,0|2,0,0]=4 720 B15R1.8287 Cc1cccc(c1CC(=O)CC(C)C)C 1458a_100000689862_100000210624 [0,1,1,0,0,0|2,0,0]=4 721 B15R1.8287 Cc1cccc(c1CC(=O)CC(C)O)C 1458a_100000689862_100011218427 [0,1,1,0,0,0|2,0,0]=4 722 B15R1.8287 Cc1cccc(c1CC(=O)C[C@@H](C)O)C 1458a_100011933948_100000758300 [0,1,1,0,0,0|2,0,0]=4 723 B15R1.8287 Cc1cccc(c1CC(=O)NC(C)C)Br 11a_100138425928_100010147022 [0,1,1,0,0,0|2,0,0]=4 724 B15R1.8287 Cc1cccc(c1CC(=O)NC(C)C)Br 1626a_100138425928_100010147022 [0,1,1,0,0,0|2,0,0]=4 725 B15R1.8287 Cc1cccc(c1CC(=O)NC(C)C)Br 240690a_100138425928_100010147022 [0,1,1,0,0,0|2,0,0]=4 726 B15R1.8287 Cc1cccc(c1CC(=O)NC(C)C)Br 527a_100138425928_100010147022 [0,1,1,0,0,0|2,0,0]=4 727 B15R1.8287 Cc1cccc(c1CC(=O)NC(C)C)C 11a_100138425928_100000689862 [0,1,1,0,0,0|1,0,0]=3 728 B15R1.8287 Cc1cccc(c1CC(=O)NC(C)C)C 1626a_100138425928_100000689862 [0,1,1,0,0,0|1,0,0]=3 729 B15R1.8287 Cc1cccc(c1CC(=O)NC(C)C)C 240690a_100138425928_100000689862 [0,1,1,0,0,0|1,0,0]=3 730 B15R1.8287 Cc1cccc(c1CC(=O)NC(C)C)C 527a_100138425928_100000689862 [0,1,1,0,0,0|1,0,0]=3 731 B15R1.8287 Cc1cccc(c1NC(=O)NC(C)C)C 2430a_100000185769_100138425928 [0,1,1,0,0,0|2,0,0]=4 732 B15R1.8287 Cc1cccc(c1NC(=O)NC(C)C)C 512a_100138425928_100000185769 [0,1,1,0,0,0|2,0,0]=4 733 B15R1.13264 CCC(C)C(=O)Cc1c(cccc1C)C 1458a_100000689862_100000758301 [0,1,1,0,0,0|2,0,0]=4 734 B15R1.13264 CCC(C)C(=O)Cc1c(cccc1C)C 1458a_100011192722_100000758300 [0,1,1,0,0,0|2,0,0]=4 735 B15R1.13264 CCC(O)C(=O)Cc1c(cccc1C)C 1458a_100011196387_100000758300 [0,1,1,0,0,0|2,0,0]=4 736 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1Br)C 11a_100000225621_100010147022 [0,1,1,0,0,0|2,0,0]=4 737 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1Br)C 1626a_100000225621_100010147022 [0,1,1,0,0,0|2,0,0]=4 738 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1Br)C 240690a_100000225621_100010147022 [0,1,1,0,0,0|2,0,0]=4 739 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1Br)C 527a_100000225621_100010147022 [0,1,1,0,0,0|2,0,0]=4 740 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1C)C 11a_100000225621_100000689862 [0,1,1,0,0,0|1,0,0]=3 741 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1C)C 1626a_100000225621_100000689862 [0,1,1,0,0,0|1,0,0]=3 742 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1C)C 240690a_100000225621_100000689862 [0,1,1,0,0,0|1,0,0]=3 743 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1C)C 527a_100000225621_100000689862 [0,1,1,0,0,0|1,0,0]=3 744 B15R1.13264 CCN(C)C(=O)Nc1c(cccc1C)C 2430a_100000185769_100000225621 [0,1,1,0,0,0|2,0,0]=4 745 B15R1.37637 CCCC(=O)Cc1c(cc(cc1C)C)C 1458a_100000211992_100000749405 [0,1,1,0,0,0|2,0,0]=4 746 B15R1.37637 CCCC(=O)Cc1c(cc(cc1C)C)C 1458a_100000696705_100000210303 [0,1,1,0,0,0|2,0,0]=4 747 B15R1.37637 CCNC(=O)Cc1c(cc(cc1C)C)C 11a_100015525214_100000696705 [0,1,1,0,0,0|1,0,0]=3 748 B15R1.37637 CCNC(=O)Cc1c(cc(cc1C)C)C 240690a_100015525214_100000696705 [0,1,1,0,0,0|1,0,0]=3 749 B15R1.37637 CCNC(=O)Cc1c(cc(cc1C)C)C 527a_100015525214_100000696705 [0,1,1,0,0,0|1,0,0]=3 750 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)Br)C 2430a_100000737279_100015525214 [0,1,1,0,0,0|2,0,0]=4 751 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)Br)C 512a_100000737279_100015525214 [0,1,1,0,0,0|2,0,0]=4 752 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)Br)C 512a_100015525214_100000737279 [0,1,1,0,0,0|2,0,0]=4 753 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)C)C 2430a_100000210045_100015525214 [0,1,1,0,0,0|2,0,0]=4 754 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)C)C 512a_100015525214_100000210045 [0,1,1,0,0,0|2,0,0]=4 755 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)Cl)C 2430a_100000692879_100015525214 [0,1,1,0,0,0|2,0,0]=4 756 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)Cl)C 512a_100015525214_100000692879 [0,1,1,0,0,0|2,0,0]=4 757 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)F)C 2430a_100011290887_100015525214 [0,1,1,0,0,0|2,0,0]=4 758 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)F)C 512a_100011290887_100015525214 [0,1,1,0,0,0|2,0,0]=4 759 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)F)C 512a_100015525214_100011290887 [0,1,1,0,0,0|2,0,0]=4 760 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)I)C 2430a_100011356821_100015525214 [0,1,1,0,0,0|2,0,0]=4 761 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)I)C 512a_100011356821_100015525214 [0,1,1,0,0,0|2,0,0]=4 762 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)I)C 512a_100015525214_100011356821 [0,1,1,0,0,0|2,0,0]=4 763 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)O)C 2430a_100011934200_100015525214 [0,1,1,0,0,0|2,0,0]=4 764 B15R1.37637 CCNC(=O)Nc1c(cc(cc1C)O)C 512a_100011934200_100015525214 [0,1,1,0,0,0|2,0,0]=4 765 B15R1.37637 CNNC(=O)Cc1c(cc(cc1C)C)C 22a_100016993582_100000696705 [0,1,1,0,0,0|2,0,0]=4 766 B15R1.45718 C#CCNC(=O)Cc1c(cccc1C)C 11a_100000212058_100000689862 [0,1,1,0,0,0|1,0,1]=4 767 B15R1.45718 C#CCNC(=O)Cc1c(cccc1C)C 1626a_100000212058_100000689862 [0,1,1,0,0,0|1,0,1]=4 768 B15R1.45718 C#CCNC(=O)Cc1c(cccc1C)C 240690a_100000212058_100000689862 [0,1,1,0,0,0|1,0,1]=4 769 B15R1.45718 C#CCNC(=O)Cc1c(cccc1C)C 527a_100000212058_100000689862 [0,1,1,0,0,0|1,0,1]=4 770 B15R1.45718 C=CCNC(=O)Cc1c(cccc1C)C 1626a_100020586998_100000689862 [0,1,1,0,0,0|1,0,1]=4 771 B15R1.45718 C=CCNC(=O)Cc1c(cccc1C)C 240690a_100020586998_100000689862 [0,1,1,0,0,0|1,0,1]=4 772 B15R1.45718 C=CCNC(=O)Cc1c(cccc1C)C 527a_100020586998_100000689862 [0,1,1,0,0,0|1,0,1]=4 773 B15R1.45718 CCC#CC(=O)Cc1c(cccc1C)C 1458a_100011827653_100000758300 [0,1,1,0,0,0|2,0,0]=4 774 B15R1.45718 CCC=CC(=O)Cc1c(cccc1C)C 1458a_100000212282_100000758300 [0,1,1,0,0,0|2,0,0]=4 775 B15R1.45718 CCCCC(=O)Cc1c(cccc1C)C 1458a_100000210183_100000758300 [0,1,1,0,0,0|2,0,0]=4 776 B15R1.45718 CCCCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000210211 [0,1,1,0,0,0|2,0,0]=4 777 B15R1.45718 CCCNC(=O)Cc1c(cccc1Br)C 11a_100020643023_100010147022 [0,1,1,0,0,0|2,0,0]=4 778 B15R1.45718 CCCNC(=O)Cc1c(cccc1Br)C 1626a_100020643023_100010147022 [0,1,1,0,0,0|2,0,0]=4 779 B15R1.45718 CCCNC(=O)Cc1c(cccc1Br)C 240690a_100020643023_100010147022 [0,1,1,0,0,0|2,0,0]=4 780 B15R1.45718 CCCNC(=O)Cc1c(cccc1Br)C 527a_100020643023_100010147022 [0,1,1,0,0,0|2,0,0]=4 781 B15R1.45718 CCCNC(=O)Cc1c(cccc1C)C 11a_100020643023_100000689862 [0,1,1,0,0,0|1,0,0]=3 782 B15R1.45718 CCCNC(=O)Cc1c(cccc1C)C 1626a_100020643023_100000689862 [0,1,1,0,0,0|1,0,0]=3 783 B15R1.45718 CCCNC(=O)Cc1c(cccc1C)C 240690a_100020643023_100000689862 [0,1,1,0,0,0|1,0,0]=3 784 B15R1.45718 CCCNC(=O)Cc1c(cccc1C)C 527a_100020643023_100000689862 [0,1,1,0,0,0|1,0,0]=3 785 B15R1.45718 CCCNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100020643023 [0,1,1,0,0,0|2,0,0]=4 786 B15R1.45718 CCCNC(=O)Nc1c(cccc1C)C 512a_100020643023_100000185769 [0,1,1,0,0,0|2,0,0]=4 787 B15R1.45718 CCNCC(=O)Nc1c(cccc1C)C 2230a_100000684115_100000210202 [0,1,1,0,0,0|2,0,0]=4 788 B15R1.45718 CCNCC(=O)Nc1c(cccc1C)C 2230a_100015525214_100000184725 [0,1,1,0,0,0|2,0,0]=4 789 B15R1.45718 CCNNC(=O)Cc1c(cccc1Br)C 22a_100000756455_100010147022 [0,1,1,0,0,0|2,0,0]=4 790 B15R1.45718 CCNNC(=O)Cc1c(cccc1C)C 22a_100000756455_100000689862 [0,1,1,0,0,0|1,0,0]=3 791 B15R1.45718 CCNNC(=O)Nc1c(cccc1C)C 512a_100000756455_100000185769 [0,1,1,0,0,0|2,0,0]=4 792 B15R1.45718 CCOCC(=O)Cc1c(cccc1C)C 1458a_100000211967_100000758300 [0,1,1,0,0,0|2,0,0]=4 793 B15R1.45718 CCSCC(=O)Cc1c(cccc1C)C 1458a_100000230394_100000758300 [0,1,1,0,0,0|2,0,0]=4 794 B15R1.45718 COCCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000233755 [0,1,1,0,0,0|2,0,0]=4 795 B15R1.45718 COCCC(=O)Cc1c(cccc1C)C 1458a_100000749529_100000758300 [0,1,1,0,0,0|2,0,0]=4 796 B15R1.45718 CSCCC(=O)Cc1c(cccc1C)C 1458a_100000174002_100000758300 [0,1,1,0,0,0|2,0,0]=4 797 B15R1.45718 CSCCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000751147 [0,1,1,0,0,0|2,0,0]=4 798 B15R1.45718 Cc1cccc(c1CC(=O)CCCF)C 1458a_100000689862_100011934791 [0,1,1,0,0,0|2,0,0]=4 799 B15R1.45718 Cc1cccc(c1CC(=O)CCCO)C 1458a_100000689862_100011215043 [0,1,1,0,0,0|2,0,0]=4 800 B15R1.45718 Cc1cccc(c1CC(=O)NCC#N)C 1626a_100000734998_100000689862 [0,1,1,0,0,0|1,0,1]=4 801 B15R1.45718 Cc1cccc(c1CC(=O)NCC#N)C 527a_100000734998_100000689862 [0,1,1,0,0,0|1,0,1]=4 802 B15R1.45718 Cc1cccc(c1CC(=O)NCCF)Br 11a_100000724931_100010147022 [0,1,1,0,0,0|2,0,0]=4 803 B15R1.45718 Cc1cccc(c1CC(=O)NCCF)Br 1626a_100000724931_100010147022 [0,1,1,0,0,0|2,0,0]=4 804 B15R1.45718 Cc1cccc(c1CC(=O)NCCF)Br 240690a_100000724931_100010147022 [0,1,1,0,0,0|2,0,0]=4 805 B15R1.45718 Cc1cccc(c1CC(=O)NCCF)Br 527a_100000724931_100010147022 [0,1,1,0,0,0|2,0,0]=4 806 B15R1.45718 Cc1cccc(c1CC(=O)NCCF)C 11a_100000724931_100000689862 [0,1,1,0,0,0|1,0,0]=3 807 B15R1.45718 Cc1cccc(c1CC(=O)NCCF)C 1626a_100000724931_100000689862 [0,1,1,0,0,0|1,0,0]=3 808 B15R1.45718 Cc1cccc(c1CC(=O)NCCF)C 240690a_100000724931_100000689862 [0,1,1,0,0,0|1,0,0]=3 809 B15R1.45718 Cc1cccc(c1CC(=O)NCCF)C 527a_100000724931_100000689862 [0,1,1,0,0,0|1,0,0]=3 810 B15R1.45718 Cc1cccc(c1CC(=O)NCCO)Br 240690a_100000210304_100010147022 [0,1,1,0,0,0|2,0,0]=4 811 B15R1.45718 Cc1cccc(c1CC(=O)NCCO)Br 527a_100000210304_100010147022 [0,1,1,0,0,0|2,0,0]=4 812 B15R1.45718 Cc1cccc(c1CC(=O)NCCO)C 240690a_100000210304_100000689862 [0,1,1,0,0,0|1,0,0]=3 813 B15R1.45718 Cc1cccc(c1CC(=O)NCCO)C 527a_100000210304_100000689862 [0,1,1,0,0,0|1,0,0]=3 814 B15R1.45718 Cc1cccc(c1NC(=O)NCCF)C 2430a_100000185769_100000724931 [0,1,1,0,0,0|2,0,0]=4 815 B15R1.45718 Cc1cccc(c1NC(=O)NCCO)C 2430a_100000185769_100000210304 [0,1,1,0,0,0|2,0,0]=4 816 B15R1.51699 CCNC(=O)N(C)c1c(cccc1C)C 512a_100011645471_100015525214 [0,1,1,0,0,0|2,0,0]=4 817 B15R1.51699 CCNC(=O)N(C)c1c(cccc1C)C 512a_100015525214_100011645471 [0,1,1,0,0,0|2,0,0]=4 818 B15R1.8290 Cc1cccc(c1COCC[C@@H](C)N)C 34a_100000706166_100000758300 [0,1,1,0,0,0|2,0,0]=4 819 B15R1.40620 CCCNCCc1c(cc(cc1C)C)C 2230a_100000692091_100000210303 [0,1,1,0,0,0|1,0,1]=4 820 B15R1.40620 CCCNCCc1c(cc(cc1C)C)C 34a_100000692091_100000210303 [0,1,1,0,0,0|1,0,1]=4 821 B15R1.40620 Cc1cc(c(c(c1)C)CCNCCF)C 2230a_100000692091_100011217306 [0,1,1,0,0,0|1,0,1]=4 822 B15R1.40620 Cc1cc(c(c(c1)C)CCNCCF)C 34a_100000692091_100011217306 [0,1,1,0,0,0|1,0,1]=4 823 B15R1.40620 Cc1cc(c(c(c1)C)CCNCCO)C 2230a_100000692091_100000211926 [0,1,1,0,0,0|1,0,1]=4 824 B15R1.40620 Cc1cc(c(c(c1)C)CCNCCO)C 34a_100000692091_100000211926 [0,1,1,0,0,0|1,0,1]=4 825 B15R1.40620 Cc1cc(c(c(c1)C)COCCCN)C 34a_100000182051_100000749405 [0,1,1,0,0,0|2,0,0]=4 826 B15R1.42427 Cc1cccc(c1COCC(C)CN)C 34a_100000744482_100000758300 [0,1,1,0,0,0|2,0,0]=4 827 B15R1.42427 Cc1cccc(c1COC[C@H](F)CN)C 34a_100015665980_100000758300 [0,1,1,0,0,0|2,0,0]=4 828 B15R1.44685 CCCNCCOc1c(cccc1C)C 2230a_100000740230_100000210303 [0,1,1,0,0,0|1,0,1]=4 829 B15R1.44685 CCCNCCOc1c(cccc1C)C 34a_100000740230_100000210303 [0,1,1,0,0,0|1,0,1]=4 830 B15R1.44685 CNCCCOCc1c(cccc1C)C 34a_100000213112_100000758300 [0,1,1,0,0,0|2,0,0]=4 831 B15R1.44685 Cc1cccc(c1COCCCCN)C 34a_100000750430_100000758300 [0,1,1,0,0,0|1,0,1]=4 832 B15R1.44685 Cc1cccc(c1OCCNCCF)C 2230a_100000740230_100011217306 [0,1,1,0,0,0|1,0,1]=4 833 B15R1.44685 Cc1cccc(c1OCCNCCF)C 34a_100000724931_100000184555 [0,1,1,0,0,0|1,0,1]=4 834 B15R1.44685 Cc1cccc(c1OCCNCCF)C 34a_100000740230_100011217306 [0,1,1,0,0,0|1,0,1]=4 835 B15R1.44685 Cc1cccc(c1OCCNCCO)C 2230a_100000740230_100000211926 [0,1,1,0,0,0|1,0,1]=4 836 B15R1.44685 Cc1cccc(c1OCCNCCO)C 2230a_100016997473_100000184555 [0,1,1,0,0,0|1,0,1]=4 837 B15R1.44685 Cc1cccc(c1OCCNCCO)C 34a_100000740230_100000211926 [0,1,1,0,0,0|1,0,1]=4 838 B15R1.44685 Cc1cccc(c1OCCNCCO)C 34a_100016990907_100000184555 [0,1,1,0,0,0|1,0,1]=4 839 B15R1.44685 Cc1cccc(c1OCCOCCN)C 34a_100000210304_100000184555 [0,1,1,0,0,0|1,0,1]=4 840 B15R2.359 Cc1ccccc1CC2CCCN2C 2230a_100000755832_200000210301 [1,1,0,0,0,0|1,0,1]=4 841 B15R2.359 Cc1ccccc1CC2CCCN2C 269982a_100000755832_200000210301 [1,1,0,0,0,0|1,0,1]=4 842 B15R2.359 Cc1ccccc1CC2CCCN2C 34a_100000755832_200000210301 [1,1,0,0,0,0|1,0,1]=4 843 B15R2.359 Cc1ccccc1CC2CCCN2[13CH3] 2230a_100000755832_200025704644 [1,1,0,0,0,0|1,0,1]=4 844 B15R2.359 Cc1ccccc1CC2CCCN2[13CH3] 269982a_100000755832_200025704644 [1,1,0,0,0,0|1,0,1]=4 845 B15R2.359 Cc1ccccc1CC2CCCN2[13CH3] 34a_100000755832_200025704644 [1,1,0,0,0,0|1,0,1]=4 846 B15R2.4203 Cc1cc(c(c(c1)C)CN2CCC2)C 269982a_100000754969_100000749405 [0,1,0,0,1,0|2,0,0]=4 847 B15R2.4203 Cc1cc(cc(c1CN2CCC2)C)Br 26a_100000754969_100000187306 [0,1,0,0,1,0|2,0,0]=4 848 B15R2.15370 Cc1cccc(c1CN2CCC2C)C 269982a_100000755817_100000758300 [0,1,0,0,1,0|2,0,0]=4 849 B15R2.15370 Cc1cccc(c1CN2CCC2C)C 34a_100000755817_100000758300 [0,1,0,0,1,0|2,0,0]=4 850 B15R2.48035 Cc1cccc(c1CN2CC(C2)C)C 2230a_100000702820_100000758300 [0,1,0,0,1,0|2,0,0]=4 851 B15R2.48035 Cc1cccc(c1CN2CC(C2)C)C 269982a_100000702820_100000758300 [0,1,0,0,1,0|2,0,0]=4 852 B15R2.48035 Cc1cccc(c1CN2CC(C2)C)C 270004a_100000702820_100000758299 [0,1,0,0,1,0|2,0,0]=4 853 B15R2.48035 Cc1cccc(c1CN2CC(C2)C)C 34a_100000702820_100000758300 [0,1,0,0,1,0|2,0,0]=4 854 B15R2.48035 Cc1cccc(c1CN2CC(C2)F)C 2230a_100000690557_100000758300 [0,1,0,0,1,0|2,0,0]=4 855 B15R2.48035 Cc1cccc(c1CN2CC(C2)F)C 269982a_100000690557_100000758300 [0,1,0,0,1,0|2,0,0]=4 856 B15R2.48035 Cc1cccc(c1CN2CC(C2)F)C 270004a_100000690557_100000758299 [0,1,0,0,1,0|2,0,0]=4 857 B15R2.48035 Cc1cccc(c1CN2CC(C2)F)C 34a_100000690557_100000758300 [0,1,0,0,1,0|2,0,0]=4 858 B15R2.48035 Cc1cccc(c1CN2CC(C2)O)C 269982a_100000749847_100000758300 [0,1,0,0,1,0|2,0,0]=4 859 B15R2.2493 CCc1cccc(c1C2=CCCC2)C 271570a_100000089523_100000036235 [0,1,0,0,1,0|2,0,0]=4 860 B15R2.2493 CCc1cccc(c1c2ncc[nH]2)C 271570a_100016988920_100000036235 [0,1,0,0,1,0|0,0,2]=4 861 B15R2.2493 Cc1cccc(c1C2=CCCC2)CO 271570a_100000089523_100011659289 [0,1,0,0,1,0|2,0,0]=4 862 B15R2.2493 Cc1cccc(c1c2ncc[nH]2)CO 271570a_100016988920_100011659289 [0,1,0,0,1,0|0,0,2]=4 863 B15R2.4201 Cc1cc(c(c(c1)C)C2=CCCC2)C 271570a_100000089523_100011204320 [0,1,0,0,1,0|2,0,0]=4 864 B15R2.4201 Cc1cc(c(c(c1)C)c2ncc[nH]2)C 271570a_100011216421_100025796157 [0,1,0,0,1,0|0,0,2]=4 865 B15R2.4201 Cc1cc(c(c(c1)C)c2ncc[nH]2)C 271570a_100016988920_100011204320 [0,1,0,0,1,0|0,0,2]=4 866 B15R2.4201 Cc1cc(cc(c1C2=CCCC2)C)Br 271570a_100000089523_100009814048 [0,1,0,0,1,0|2,0,0]=4 867 B15R2.4201 Cc1cc(cc(c1C2=CCCC2)C)Cl 271570a_100000089523_100010244930 [0,1,0,0,1,0|2,0,0]=4 868 B15R2.4201 Cc1cc(cc(c1C2=CCCC2)C)F 271570a_100000089523_100012356666 [0,1,0,0,1,0|2,0,0]=4 869 B15R2.4201 Cc1cc(cc(c1C2=CCCC2)C)O 271570a_100000089523_100000243743 [0,1,0,0,1,0|2,0,0]=4 870 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)Br 271570a_100016988920_100009814048 [0,1,0,0,1,0|0,0,2]=4 871 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)Cl 271570a_100016988920_100010244930 [0,1,0,0,1,0|0,0,2]=4 872 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)F 271570a_100013316015_100025796157 [0,1,0,0,1,0|0,0,2]=4 873 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)F 271570a_100016988920_100012356666 [0,1,0,0,1,0|0,0,2]=4 874 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)O 271570a_100016988920_100000243743 [0,1,0,0,1,0|0,0,2]=4 875 B15R2.15647 Cc1ccc(c(c1C2=CCCC2)C)F 271570a_100000089523_100011068659 [0,1,0,0,1,0|2,0,0]=4 876 B15R2.15647 Cc1ccc(c(c1C2=CCCC2)C)N 271570a_100000089523_106354213274 [0,1,0,0,1,0|2,0,0]=4 877 B15R2.15647 Cc1ccc(c(c1C2=CCCC2)C)O 271570a_100000089523_100010659238 [0,1,0,0,1,0|2,0,0]=4 878 B15R2.15647 Cc1ccc(c(c1c2ncc[nH]2)C)F 271570a_100016988920_100011068659 [0,1,0,0,1,0|0,0,2]=4 879 B15R2.15647 Cc1ccc(c(c1c2ncc[nH]2)C)N 271570a_100016988920_106354213274 [0,1,0,0,1,0|0,0,2]=4 880 B15R2.15647 Cc1ccc(c(c1c2ncc[nH]2)C)O 271570a_100016988920_100010659238 [0,1,0,0,1,0|0,0,2]=4 881 B17R2.38423 Cc1cccc(c1CNc2ncnn2C)C 27a_100000689800_100000732653 [0,1,0,0,0,1|1,0,1]=4 882 B17R2.38423 Cc1cccc(c1CSc2nccn2C)C 62a_100000707724_100000758300 [0,1,0,0,0,1|0,0,2]=4 883 B17R2.38423 Cc1cccc(c1CSc2nccn2C)C 62a_100000758300_100000707724 [0,1,0,0,0,1|0,0,2]=4 884 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)C 62a_100000732653_100000758300 [0,1,0,0,0,1|1,0,1]=4 885 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)C 62a_100000758300_100000732653 [0,1,0,0,0,1|1,0,1]=4 886 B17R2.38423 Cc1cccc(c1NCc2nccn2C)C 207a_100000185769_100000748660 [0,1,0,0,0,1|0,0,2]=4 887 B17R2.38423 Cc1cccc(c1NCc2nccn2C)C 34a_100000185769_100000700302 [0,1,0,0,0,1|0,0,2]=4 888 B17R2.38423 Cc1cccc(c1OCc2nccn2C)C 34a_100000210341_100000700302 [0,1,0,0,0,1|0,0,2]=4 889 B17R2.38423 Cc1cccc(c1OCc2nccn2C)C 7a_100000210341_100000700302 [0,1,0,0,0,1|0,0,2]=4 890 B17R2.38423 Cc1cccc(c1SCc2nccn2C)C 62a_100000033847_100000700302 [0,1,0,0,0,1|0,0,2]=4 891 B17R2.38423 Cc1cccc(c1SCc2nccn2C)C 62a_100000700302_100000033847 [0,1,0,0,0,1|0,0,2]=4 892 B17R2.41794 Cc1cccc(c1CC(=O)C2=CCCC2)C 1458a_100000038896_100000758300 [0,1,0,0,0,1|2,0,0]=4 893 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2Cl)Cl 269982a_100000691019_100000737910 [0,1,0,0,0,1|2,0,0]=4 894 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2Cl)Cl 34a_100000691019_100000737910 [0,1,0,0,0,1|2,0,0]=4 895 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2F)F 269982a_100000743377_100000737910 [0,1,0,0,0,1|2,0,0]=4 896 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2F)F 34a_100000743377_100000737910 [0,1,0,0,0,1|2,0,0]=4 897 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2F)F 38a_100000743377_100000737910 [0,1,0,0,0,1|2,0,0]=4 898 B17R2.41886 Cc1cccc(c1C(=O)Cc2nnn[nH]2)C 1458a_100000758298_100000765167 [0,1,0,0,0,1|2,0,0]=4 899 B17R2.41886 Cc1cccc(c1N(C)CC2=NCCN2)C 269982a_100011645471_100000737910 [0,1,0,0,0,1|0,0,0]=2 900 B17R2.41886 Cc1cccc(c1N(C)CC2=NCCN2)C 34a_100011645471_100000737910 [0,1,0,0,0,1|0,0,0]=2 901 B17R2.41886 Cc1cccc(c1N(C)Cc2ncc[nH]2)C 2230a_100011645471_100016991755 [0,1,0,0,0,1|0,0,2]=4 902 B17R2.41886 Cc1cccc(c1N(C)Cc2ncc[nH]2)C 269982a_100011645471_100016991755 [0,1,0,0,0,1|0,0,2]=4 903 B17R2.41886 Cc1cccc(c1N(C)Cc2ncc[nH]2)C 34a_100011645471_100016991755 [0,1,0,0,0,1|0,0,2]=4 904 B17R2.41886 Cc1cccc(c1N(C)Cc2nnn[nH]2)C 269982a_100011645471_100000765167 [0,1,0,0,0,1|2,0,0]=4 905 B17R2.41886 Cc1cccc(c1N(C)Cc2nnn[nH]2)C 34a_100011645471_100000765167 [0,1,0,0,0,1|2,0,0]=4 906 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 34a_100000210048_100000737910 [0,1,0,0,0,1|0,0,0]=2 907 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 7a_100000210048_100000737910 [0,1,0,0,0,1|0,0,0]=2 908 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 207a_100000210048_100000743867 [0,1,0,0,0,1|0,0,2]=4 909 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 2230a_100000210048_100016991755 [0,1,0,0,0,1|0,0,2]=4 910 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 34a_100000210048_100016991755 [0,1,0,0,0,1|0,0,2]=4 911 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 7a_100000210048_100000753453 [0,1,0,0,0,1|0,0,2]=4 912 B17R2.71328 CCc1cccc(c1NCc2nnn[nH]2)C 34a_100000210048_100000765167 [0,1,0,0,0,1|2,0,0]=4 913 B17R2.71328 CCc1cccc(c1NCc2nnn[nH]2)C 7a_100000210048_100000765167 [0,1,0,0,0,1|2,0,0]=4 914 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)Br 34a_200010001580_100000737910 [0,1,0,0,0,1|1,0,0]=3 915 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)Br 7a_200010001580_100000737910 [0,1,0,0,0,1|1,0,0]=3 916 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 34a_100000034007_100000737910 [0,1,0,0,0,1|0,0,0]=2 917 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 7a_100000034007_100000737910 [0,1,0,0,0,1|0,0,0]=2 918 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C 34a_100000034007_100016991755 [0,1,0,0,0,1|0,0,2]=4 919 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C 7a_100000034007_100000753453 [0,1,0,0,0,1|0,0,2]=4 920 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 34a_100000034007_100000765167 [0,1,0,0,0,1|2,0,0]=4 921 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 7a_100000034007_100000765167 [0,1,0,0,0,1|2,0,0]=4 922 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000036235_100000737910 [0,1,0,0,0,1|0,0,0]=2 923 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000036235 [0,1,0,0,0,1|0,0,0]=2 924 B17R2.71328 CCc1cccc(c1SCc2ncc[nH]2)C 62a_100000036235_100016991755 [0,1,0,0,0,1|0,0,2]=4 925 B17R2.71328 CCc1cccc(c1SCc2ncc[nH]2)C 62a_100016991755_100000036235 [0,1,0,0,0,1|0,0,2]=4 926 B17R2.71328 CCc1cccc(c1SCc2nnn[nH]2)C 62a_100000036235_100000765167 [0,1,0,0,0,1|2,0,0]=4 927 B17R2.71328 CCc1cccc(c1SCc2nnn[nH]2)C 62a_100000765167_100000036235 [0,1,0,0,0,1|2,0,0]=4 928 B17R2.71328 CCc1occc(=O)c1OCC2=NCCN2 34a_100000033269_100000737910 [0,1,0,0,0,1|2,0,0]=4 929 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Br 34a_100000708083_100000737910 [0,1,0,0,0,1|1,0,0]=3 930 B17R2.71328 COc1cccc(c1NCC2=NCCN2)C 34a_100000758225_100000737910 [0,1,0,0,0,1|0,0,0]=2 931 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Cl 34a_100011309317_100000737910 [0,1,0,0,0,1|1,0,0]=3 932 B17R2.71328 COc1cccc(c1NCC2=NCCN2)F 34a_100000686744_100000737910 [0,1,0,0,0,1|1,0,0]=3 933 B17R2.71328 COc1cccc(c1NCC2=NCCN2)O 34a_100012022766_100000737910 [0,1,0,0,0,1|1,0,0]=3 934 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 207a_100000758225_100000743867 [0,1,0,0,0,1|0,0,2]=4 935 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 2230a_100000758225_100016991755 [0,1,0,0,0,1|0,0,2]=4 936 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 34a_100000758225_100016991755 [0,1,0,0,0,1|0,0,2]=4 937 B17R2.71328 COc1cccc(c1NCc2nnn[nH]2)C 34a_100000758225_100000765167 [0,1,0,0,0,1|2,0,0]=4 938 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Br 34a_100000686866_100000737910 [0,1,0,0,0,1|1,0,0]=3 939 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 34a_100011219253_100000737910 [0,1,0,0,0,1|0,0,0]=2 940 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 7a_100011219253_100000737910 [0,1,0,0,0,1|0,0,0]=2 941 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 34a_100009851661_100000737910 [0,1,0,0,0,1|1,0,0]=3 942 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 7a_100009851661_100000737910 [0,1,0,0,0,1|1,0,0]=3 943 B17R2.71328 COc1cccc(c1OCC2=NCCN2)F 34a_100000036725_100000737910 [0,1,0,0,0,1|1,0,0]=3 944 B17R2.71328 COc1cccc(c1OCC2=NCCN2)F 7a_100000036725_100000737910 [0,1,0,0,0,1|1,0,0]=3 945 B17R2.71328 COc1cccc(c1OCC2=NCCN2)N 34a_100000123586_100000737910 [0,1,0,0,0,1|1,0,0]=3 946 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)C 34a_100011219253_100016991755 [0,1,0,0,0,1|0,0,2]=4 947 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)C 7a_100011219253_100000753453 [0,1,0,0,0,1|0,0,2]=4 948 B17R2.71328 COc1cccc(c1OCc2nnn[nH]2)C 34a_100011219253_100000765167 [0,1,0,0,0,1|2,0,0]=4 949 B17R2.71328 COc1cccc(c1OCc2nnn[nH]2)C 7a_100011219253_100000765167 [0,1,0,0,0,1|2,0,0]=4 950 B17R2.71328 COc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010131421 [0,1,0,0,0,1|1,0,0]=3 951 B17R2.71328 COc1cccc(c1SCC2=NCCN2)Br 62a_100010131421_100000737910 [0,1,0,0,0,1|1,0,0]=3 952 B17R2.71328 COc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100010191535 [0,1,0,0,0,1|0,0,0]=2 953 B17R2.71328 COc1cccc(c1SCC2=NCCN2)C 62a_100010191535_100000737910 [0,1,0,0,0,1|0,0,0]=2 954 B17R2.71328 COc1cccc(c1SCC2=NCCN2)F 62a_100000703912_100000737910 [0,1,0,0,0,1|1,0,0]=3 955 B17R2.71328 COc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000703912 [0,1,0,0,0,1|1,0,0]=3 956 B17R2.71328 COc1cccc(c1SCC2=NCCN2)N 62a_100000703447_100000737910 [0,1,0,0,0,1|1,0,0]=3 957 B17R2.71328 COc1cccc(c1SCC2=NCCN2)N 62a_100000737910_100000703447 [0,1,0,0,0,1|1,0,0]=3 958 B17R2.71328 COc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100010202623 [0,1,0,0,0,1|1,0,0]=3 959 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)C 62a_100010191535_100016991755 [0,1,0,0,0,1|0,0,2]=4 960 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)C 62a_100016991755_100010191535 [0,1,0,0,0,1|0,0,2]=4 961 B17R2.71328 COc1cccc(c1SCc2nnn[nH]2)C 62a_100000765167_100010191535 [0,1,0,0,0,1|2,0,0]=4 962 B17R2.71328 COc1cccc(c1SCc2nnn[nH]2)C 62a_100010191535_100000765167 [0,1,0,0,0,1|2,0,0]=4 963 B17R2.71328 COc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100010154655 [0,1,0,0,0,1|2,0,0]=4 964 B17R2.71328 COc1ccnc(c1SCC2=NCCN2)Cl 62a_100010154655_100000737910 [0,1,0,0,0,1|2,0,0]=4 965 B17R2.71328 COc1nccc(c1SCC2=NCCN2)C 62a_100000737910_100012353928 [0,1,0,0,0,1|1,0,0]=3 966 B17R2.71328 COc1nccc(c1SCC2=NCCN2)C 62a_100012353928_100000737910 [0,1,0,0,0,1|1,0,0]=3 967 B17R2.71328 COc1nccc(c1SCC2=NCCN2)N 62a_100000737910_100010243811 [0,1,0,0,0,1|2,0,0]=4 968 B17R2.71328 COc1nccc(c1SCC2=NCCN2)N 62a_100010243811_100000737910 [0,1,0,0,0,1|2,0,0]=4 969 B17R2.71328 COc1ncnc(c1SCC2=NCCN2)C 62a_100000737910_100010110394 [0,1,0,0,0,1|2,0,0]=4 970 B17R2.71328 COc1ncnc(c1SCC2=NCCN2)C 62a_100010110394_100000737910 [0,1,0,0,0,1|2,0,0]=4 971 B17R2.71328 Cc1cccc(c1NCC2=NCCN2)CO 34a_100011215590_100000737910 [0,1,0,0,0,1|0,0,0]=2 972 B17R2.71328 Cc1cccc(c1NCc2ncc[nH]2)CO 207a_100011215590_100000743867 [0,1,0,0,0,1|0,0,2]=4 973 B17R2.71328 Cc1cccc(c1NCc2ncc[nH]2)CO 34a_100011215590_100016991755 [0,1,0,0,0,1|0,0,2]=4 974 B17R2.71328 Cc1cccc(c1NCc2nnn[nH]2)CO 34a_100011215590_100000765167 [0,1,0,0,0,1|2,0,0]=4 975 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)C#N 34a_100011659161_100000737910 [0,1,0,0,0,1|0,0,1]=3 976 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)C#N 7a_100011659161_100000737910 [0,1,0,0,0,1|0,0,1]=3 977 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)CN 34a_100020639391_100000737910 [0,1,0,0,0,1|0,0,0]=2 978 B17R2.71328 Cc1cccc(c1OCc2ncc[nH]2)CN 34a_100020639391_100016991755 [0,1,0,0,0,1|0,0,2]=4 979 B17R2.71328 Cc1cccc(c1OCc2nnn[nH]2)CN 34a_100020639391_100000765167 [0,1,0,0,0,1|2,0,0]=4 980 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)C#N 62a_100000737910_100011934862 [0,1,0,0,0,1|0,0,1]=3 981 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)C=O 62a_100000737910_100012186367 [0,1,0,0,0,1|0,0,1]=3 982 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)C=O 62a_100012186367_100000737910 [0,1,0,0,0,1|0,0,1]=3 983 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)CO 62a_100000737910_100011659289 [0,1,0,0,0,1|0,0,0]=2 984 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)CO 62a_100011659289_100000737910 [0,1,0,0,0,1|0,0,0]=2 985 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)CO 62a_100011659289_100016991755 [0,1,0,0,0,1|0,0,2]=4 986 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)CO 62a_100016991755_100011659289 [0,1,0,0,0,1|0,0,2]=4 987 B17R2.71328 Cc1cccc(c1SCc2nnn[nH]2)CO 62a_100000765167_100011659289 [0,1,0,0,0,1|2,0,0]=4 988 B17R2.71328 Cc1cccc(c1SCc2nnn[nH]2)CO 62a_100011659289_100000765167 [0,1,0,0,0,1|2,0,0]=4 989 B17R2.71328 Cc1ccnc(c1SCC2=NCCN2)C#N 62a_100000737910_100009878727 [0,1,0,0,0,1|1,0,1]=4 990 B17R2.71328 N#Cc1cccc(c1NCC2=NCCN2)F 34a_100011219409_100000737910 [0,1,0,0,0,1|1,0,1]=4 991 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Br 34a_100009817103_100000737910 [0,1,0,0,0,1|1,0,1]=4 992 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Cl 34a_100009866432_100000737910 [0,1,0,0,0,1|1,0,1]=4 993 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Cl 7a_100009866432_100000737910 [0,1,0,0,0,1|1,0,1]=4 994 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)F 34a_100000117915_100000737910 [0,1,0,0,0,1|1,0,1]=4 995 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)F 7a_100000117915_100000737910 [0,1,0,0,0,1|1,0,1]=4 996 B17R2.71328 N#Cc1cccc(c1SCC2=NCCN2)Br 62a_100000703783_100000737910 [0,1,0,0,0,1|1,0,1]=4 997 B17R2.71328 N#Cc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100000703783 [0,1,0,0,0,1|1,0,1]=4 998 B17R2.71328 N#Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100010134094 [0,1,0,0,0,1|1,0,1]=4 999 B17R2.71328 N#Cc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100011219237 [0,1,0,0,0,1|1,0,1]=4 1000 B17R2.71328 N#Cc1cccc(c1SCC2=NCCN2)N 62a_100000737910_100009877206 [0,1,0,0,0,1|1,0,1]=4 1001 B17R2.71328 N#Cc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100009818990 [0,1,0,0,0,1|1,0,1]=4 1002 B17R2.71328 NCc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100020638964 [0,1,0,0,0,1|1,0,0]=3 1003 B17R2.71328 NCc1cccc(c1SCC2=NCCN2)F 62a_100020638964_100000737910 [0,1,0,0,0,1|1,0,0]=3 1004 B17R2.71328 O=Cc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100011934749 [0,1,0,0,0,1|1,0,1]=4 1005 B17R2.71328 O=Cc1cccc(c1SCC2=NCCN2)F 62a_100011934749_100000737910 [0,1,0,0,0,1|1,0,1]=4 1006 B17R2.71328 O=Cc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100009816417 [0,1,0,0,0,1|1,0,1]=4 1007 B17R2.71328 O=Cc1cccc(c1SCC2=NCCN2)O 62a_100009816417_100000737910 [0,1,0,0,0,1|1,0,1]=4 1008 B17R2.71328 OCc1cccc(c1NCC2=NCCN2)Cl 34a_100012182729_100000737910 [0,1,0,0,0,1|1,0,0]=3 1009 B17R2.71328 OCc1cccc(c1NCC2=NCCN2)F 34a_100000692437_100000737910 [0,1,0,0,0,1|1,0,0]=3 1010 B17R2.71328 OCc1cccc(c1OCC2=NCCN2)F 34a_100011997349_100000737910 [0,1,0,0,0,1|1,0,0]=3 1011 B17R2.71328 OCc1cccc(c1OCC2=NCCN2)F 7a_100011997349_100000737910 [0,1,0,0,0,1|1,0,0]=3 1012 B17R2.71328 OCc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010146604 [0,1,0,0,0,1|1,0,0]=3 1013 B17R2.71328 OCc1cccc(c1SCC2=NCCN2)Br 62a_100010146604_100000737910 [0,1,0,0,0,1|1,0,0]=3 1014 B17R2.71328 OCc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100012351117 [0,1,0,0,0,1|1,0,0]=3 1015 B17R2.71328 OCc1cccc(c1SCC2=NCCN2)F 62a_100012351117_100000737910 [0,1,0,0,0,1|1,0,0]=3 1016 B17R2.83661 Brc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_100000210219_100000737910 [0,1,0,0,0,1|2,0,0]=4 1017 B17R2.83661 Brc1cc(c(c(c1)Br)OCC2=NCCN2)Br 7a_100000210219_100000737910 [0,1,0,0,0,1|2,0,0]=4 1018 B17R2.83661 Brc1cc(c(c(c1)Br)SCC2=NCCN2)Br 62a_100000737910_100011263223 [0,1,0,0,0,1|2,0,0]=4 1019 B17R2.83661 Brc1cc(c(c(c1)Br)SCC2=NCCN2)Br 62a_100011263223_100000737910 [0,1,0,0,0,1|2,0,0]=4 1020 B17R2.83661 Brc1cc(c(c(c1)I)OCC2=NCCN2)I 7a_100009997433_100000737910 [0,1,0,0,0,1|2,0,0]=4 1021 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000184052_100000737910 [0,1,0,0,0,1|2,0,0]=4 1022 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)C 34a_100000688863_100000737910 [0,1,0,0,0,1|1,0,0]=3 1023 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100012339639_100000737910 [0,1,0,0,0,1|2,0,0]=4 1024 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)F 34a_100012353694_100000737910 [0,1,0,0,0,1|2,0,0]=4 1025 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_100000203795_100000737910 [0,1,0,0,0,1|2,0,0]=4 1026 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)Br 7a_100000203795_100000737910 [0,1,0,0,0,1|2,0,0]=4 1027 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)C 34a_100011934984_100000737910 [0,1,0,0,0,1|1,0,0]=3 1028 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)C 7a_100011934984_100000737910 [0,1,0,0,0,1|1,0,0]=3 1029 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)F 34a_200010713133_100000737910 [0,1,0,0,0,1|2,0,0]=4 1030 B17R2.83661 Cc1cc(c(c(c1)Br)OCC2=NCCN2)F 7a_200010713133_100000737910 [0,1,0,0,0,1|2,0,0]=4 1031 B17R2.83661 Cc1cc(c(c(c1)Br)SCC2=NCCN2)Br 62a_100000737910_200011219743 [0,1,0,0,0,1|2,0,0]=4 1032 B17R2.83661 Cc1cc(c(c(c1)Br)SCC2=NCCN2)Br 62a_200011219743_100000737910 [0,1,0,0,0,1|2,0,0]=4 1033 B17R2.83661 Cc1cc(c(c(c1)Br)SCC2=NCCN2)C 62a_100000737910_200012353697 [0,1,0,0,0,1|1,0,0]=3 1034 B17R2.83661 Cc1cc(c(c(c1)Br)SCC2=NCCN2)C 62a_200012353697_100000737910 [0,1,0,0,0,1|1,0,0]=3 1035 B17R2.83661 Cc1cc(c(c(c1)Br)SCC2=NCCN2)F 62a_100000737910_100010208195 [0,1,0,0,0,1|2,0,0]=4 1036 B17R2.83661 Cc1cc(c(c(c1)Br)SCC2=NCCN2)F 62a_100010208195_100000737910 [0,1,0,0,0,1|2,0,0]=4 1037 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ncc[nH]2)C 62a_100000749405_100025796157 [0,1,0,0,0,1|0,0,2]=4 1038 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ncc[nH]2)C 62a_100025796157_100000749405 [0,1,0,0,0,1|0,0,2]=4 1039 B17R2.83661 Cc1cc(c(c(c1)C)NCC2=NCCN2)C 34a_100000210045_100000737910 [0,1,0,0,0,1|0,0,0]=2 1040 B17R2.83661 Cc1cc(c(c(c1)C)NCC2=NCCN2)C 7a_100000210045_100000737910 [0,1,0,0,0,1|0,0,0]=2 1041 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncc[nH]2)C 207a_100000210045_100000743867 [0,1,0,0,0,1|0,0,2]=4 1042 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncc[nH]2)C 34a_100000210045_100016991755 [0,1,0,0,0,1|0,0,2]=4 1043 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncc[nH]2)C 7a_100000210045_100000753453 [0,1,0,0,0,1|0,0,2]=4 1044 B17R2.83661 Cc1cc(c(c(c1)C)NCc2nnn[nH]2)C 34a_100000210045_100000765167 [0,1,0,0,0,1|2,0,0]=4 1045 B17R2.83661 Cc1cc(c(c(c1)C)NCc2nnn[nH]2)C 7a_100000210045_100000765167 [0,1,0,0,0,1|2,0,0]=4 1046 B17R2.83661 Cc1cc(c(c(c1)C)OCC2=NCCN2)C 34a_100000212074_100000737910 [0,1,0,0,0,1|0,0,0]=2 1047 B17R2.83661 Cc1cc(c(c(c1)C)OCC2=NCCN2)C 7a_100000212074_100000737910 [0,1,0,0,0,1|0,0,0]=2 1048 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ncc[nH]2)C 34a_100000212074_100016991755 [0,1,0,0,0,1|0,0,2]=4 1049 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ncc[nH]2)C 7a_100000212074_100000753453 [0,1,0,0,0,1|0,0,2]=4 1050 B17R2.83661 Cc1cc(c(c(c1)C)OCc2nnn[nH]2)C 34a_100000212074_100000765167 [0,1,0,0,0,1|2,0,0]=4 1051 B17R2.83661 Cc1cc(c(c(c1)C)OCc2nnn[nH]2)C 7a_100000212074_100000765167 [0,1,0,0,0,1|2,0,0]=4 1052 B17R2.83661 Cc1cc(c(c(c1)C)SCC2=NCCN2)C 62a_100000737910_100011204320 [0,1,0,0,0,1|0,0,0]=2 1053 B17R2.83661 Cc1cc(c(c(c1)C)SCC2=NCCN2)C 62a_100011204320_100000737910 [0,1,0,0,0,1|0,0,0]=2 1054 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ncc[nH]2)C 62a_100011204320_100016991755 [0,1,0,0,0,1|0,0,2]=4 1055 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ncc[nH]2)C 62a_100016991755_100011204320 [0,1,0,0,0,1|0,0,2]=4 1056 B17R2.83661 Cc1cc(c(c(c1)C)SCc2nnn[nH]2)C 62a_100000765167_100011204320 [0,1,0,0,0,1|2,0,0]=4 1057 B17R2.83661 Cc1cc(c(c(c1)C)SCc2nnn[nH]2)C 62a_100011204320_100000765167 [0,1,0,0,0,1|2,0,0]=4 1058 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)C 34a_100000211461_100000737910 [0,1,0,0,0,1|1,0,0]=3 1059 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)C 7a_100000211461_100000737910 [0,1,0,0,0,1|1,0,0]=3 1060 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100011996032_100000737910 [0,1,0,0,0,1|2,0,0]=4 1061 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)O 34a_100015906060_100000737910 [0,1,0,0,0,1|2,0,0]=4 1062 B17R2.83661 Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000034925_100000737910 [0,1,0,0,0,1|2,0,0]=4 1063 B17R2.83661 Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000034925_100000737910 [0,1,0,0,0,1|2,0,0]=4 1064 B17R2.83661 Cc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100000737910_100015306127 [0,1,0,0,0,1|2,0,0]=4 1065 B17R2.83661 Cc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100015306127_100000737910 [0,1,0,0,0,1|2,0,0]=4 1066 B17R2.83661 Cc1cc(c(c(c1)F)SCC2=NCCN2)N 62a_100000737910_100021129147 [0,1,0,0,0,1|2,0,0]=4 1067 B17R2.83661 Cc1cc(c(c(c1)F)SCC2=NCCN2)N 62a_100021129147_100000737910 [0,1,0,0,0,1|2,0,0]=4 1068 B17R2.83661 Cc1cc(c(c(c1)I)OCC2=NCCN2)F 34a_200135191068_100000737910 [0,1,0,0,0,1|2,0,0]=4 1069 B17R2.83661 Cc1cc(c(c(c1)I)OCC2=NCCN2)F 7a_200135191068_100000737910 [0,1,0,0,0,1|2,0,0]=4 1070 B17R2.83661 Cc1cc(c(c(c1)N)OCC2=NCCN2)C 34a_100011216242_100000737910 [0,1,0,0,0,1|1,0,0]=3 1071 B17R2.83661 Cc1cc(c(c(c1)N)OCC2=NCCN2)C 7a_100011216242_100000737910 [0,1,0,0,0,1|1,0,0]=3 1072 B17R2.83661 Cc1cc(c(c(c1)O)SCC2=NCCN2)C 62a_100000737910_100010342985 [0,1,0,0,0,1|1,0,0]=3 1073 B17R2.83661 Cc1cc(c(c(c1)O)SCC2=NCCN2)C 62a_100010342985_100000737910 [0,1,0,0,0,1|1,0,0]=3 1074 B17R2.83661 Cc1cc(c(c(n1)C)SCC2=NCCN2)N 62a_100000737910_100010261885 [0,1,0,0,0,1|2,0,0]=4 1075 B17R2.83661 Cc1cc(c(c(n1)C)SCC2=NCCN2)N 62a_100010261885_100000737910 [0,1,0,0,0,1|2,0,0]=4 1076 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100012047207_100000737910 [0,1,0,0,0,1|1,0,0]=3 1077 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Br 7a_100012047207_100000737910 [0,1,0,0,0,1|1,0,0]=3 1078 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Cl 34a_100012353696_100000737910 [0,1,0,0,0,1|1,0,0]=3 1079 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Cl 7a_100012353696_100000737910 [0,1,0,0,0,1|1,0,0]=3 1080 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)F 34a_100011216670_100000737910 [0,1,0,0,0,1|1,0,0]=3 1081 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)F 7a_100011216670_100000737910 [0,1,0,0,0,1|1,0,0]=3 1082 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Br 34a_100000737279_100000737910 [0,1,0,0,0,1|0,0,0]=2 1083 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Br 7a_100000737279_100000737910 [0,1,0,0,0,1|0,0,0]=2 1084 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Cl 34a_100000692879_100000737910 [0,1,0,0,0,1|0,0,0]=2 1085 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Cl 7a_100000692879_100000737910 [0,1,0,0,0,1|0,0,0]=2 1086 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)F 34a_100011290887_100000737910 [0,1,0,0,0,1|0,0,0]=2 1087 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)F 7a_100011290887_100000737910 [0,1,0,0,0,1|0,0,0]=2 1088 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)I 7a_100011356821_100000737910 [0,1,0,0,0,1|0,0,0]=2 1089 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)O 34a_100011934200_100000737910 [0,1,0,0,0,1|0,0,0]=2 1090 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000741131_100000737910 [0,1,0,0,0,1|1,0,0]=3 1091 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Br 7a_100000741131_100000737910 [0,1,0,0,0,1|1,0,0]=3 1092 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100011215104_100000737910 [0,1,0,0,0,1|1,0,0]=3 1093 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100011215104_100000737910 [0,1,0,0,0,1|1,0,0]=3 1094 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)F 34a_100000725997_100000737910 [0,1,0,0,0,1|1,0,0]=3 1095 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)F 7a_100000725997_100000737910 [0,1,0,0,0,1|1,0,0]=3 1096 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100000709789_100000737910 [0,1,0,0,0,1|1,0,0]=3 1097 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Br 7a_100000709789_100000737910 [0,1,0,0,0,1|1,0,0]=3 1098 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100012017672_100000737910 [0,1,0,0,0,1|1,0,0]=3 1099 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100012017672_100000737910 [0,1,0,0,0,1|1,0,0]=3 1100 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)I)Br 7a_200000690823_100000737910 [0,1,0,0,0,1|1,0,0]=3 1101 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)I)Cl 7a_100012344046_100000737910 [0,1,0,0,0,1|1,0,0]=3 1102 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)O)Br 34a_100010371313_100000737910 [0,1,0,0,0,1|1,0,0]=3 1103 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)O)Br 7a_100010371313_100000737910 [0,1,0,0,0,1|1,0,0]=3 1104 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Br 207a_100000737279_100000743867 [0,1,0,0,0,1|0,0,2]=4 1105 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Br 34a_100000737279_100016991755 [0,1,0,0,0,1|0,0,2]=4 1106 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Br 7a_100000737279_100000753453 [0,1,0,0,0,1|0,0,2]=4 1107 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Cl 207a_100000692879_100000743867 [0,1,0,0,0,1|0,0,2]=4 1108 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Cl 34a_100000692879_100016991755 [0,1,0,0,0,1|0,0,2]=4 1109 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Cl 7a_100000692879_100000753453 [0,1,0,0,0,1|0,0,2]=4 1110 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)F 207a_100011290887_100000743867 [0,1,0,0,0,1|0,0,2]=4 1111 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)F 34a_100011290887_100016991755 [0,1,0,0,0,1|0,0,2]=4 1112 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)F 7a_100011290887_100000753453 [0,1,0,0,0,1|0,0,2]=4 1113 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)I 207a_100011356821_100000743867 [0,1,0,0,0,1|0,0,2]=4 1114 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)I 7a_100011356821_100000753453 [0,1,0,0,0,1|0,0,2]=4 1115 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)O 34a_100011934200_100016991755 [0,1,0,0,0,1|0,0,2]=4 1116 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)Br 34a_100000737279_100000765167 [0,1,0,0,0,1|2,0,0]=4 1117 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)Br 7a_100000737279_100000765167 [0,1,0,0,0,1|2,0,0]=4 1118 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)Cl 34a_100000692879_100000765167 [0,1,0,0,0,1|2,0,0]=4 1119 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)Cl 7a_100000692879_100000765167 [0,1,0,0,0,1|2,0,0]=4 1120 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)F 34a_100011290887_100000765167 [0,1,0,0,0,1|2,0,0]=4 1121 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)F 7a_100011290887_100000765167 [0,1,0,0,0,1|2,0,0]=4 1122 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)I 7a_100011356821_100000765167 [0,1,0,0,0,1|2,0,0]=4 1123 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)O 34a_100011934200_100000765167 [0,1,0,0,0,1|2,0,0]=4 1124 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100000186369_100000737910 [0,1,0,0,0,1|1,0,0]=3 1125 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100000186369_100000737910 [0,1,0,0,0,1|1,0,0]=3 1126 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)Cl 34a_100012337756_100000737910 [0,1,0,0,0,1|1,0,0]=3 1127 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)Cl 7a_100012337756_100000737910 [0,1,0,0,0,1|1,0,0]=3 1128 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)I 34a_100010982682_100000737910 [0,1,0,0,0,1|1,0,0]=3 1129 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)I 7a_100010982682_100000737910 [0,1,0,0,0,1|1,0,0]=3 1130 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)N 34a_100010064301_100000737910 [0,1,0,0,0,1|1,0,0]=3 1131 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)N 7a_100010064301_100000737910 [0,1,0,0,0,1|1,0,0]=3 1132 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Br 34a_100000187306_100000737910 [0,1,0,0,0,1|0,0,0]=2 1133 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Br 7a_100000187306_100000737910 [0,1,0,0,0,1|0,0,0]=2 1134 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Cl 34a_100000211519_100000737910 [0,1,0,0,0,1|0,0,0]=2 1135 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Cl 7a_100000211519_100000737910 [0,1,0,0,0,1|0,0,0]=2 1136 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)F 34a_100000081862_100000737910 [0,1,0,0,0,1|0,0,0]=2 1137 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)F 7a_100000081862_100000737910 [0,1,0,0,0,1|0,0,0]=2 1138 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)I 34a_100011216129_100000737910 [0,1,0,0,0,1|0,0,0]=2 1139 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)I 7a_100011216129_100000737910 [0,1,0,0,0,1|0,0,0]=2 1140 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)N 34a_100000703291_100000737910 [0,1,0,0,0,1|0,0,0]=2 1141 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)N 7a_100000703291_100000737910 [0,1,0,0,0,1|0,0,0]=2 1142 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000211485_100000737910 [0,1,0,0,0,1|1,0,0]=3 1143 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000211485_100000737910 [0,1,0,0,0,1|1,0,0]=3 1144 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Cl 34a_100011218458_100000737910 [0,1,0,0,0,1|1,0,0]=3 1145 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100011218458_100000737910 [0,1,0,0,0,1|1,0,0]=3 1146 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)I 34a_200015900153_100000737910 [0,1,0,0,0,1|1,0,0]=3 1147 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)I 7a_200015900153_100000737910 [0,1,0,0,0,1|1,0,0]=3 1148 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)I)Cl 34a_100012343667_100000737910 [0,1,0,0,0,1|1,0,0]=3 1149 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)I)Cl 7a_100012343667_100000737910 [0,1,0,0,0,1|1,0,0]=3 1150 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)N)Br 34a_100011825904_100000737910 [0,1,0,0,0,1|1,0,0]=3 1151 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)N)Br 7a_100011825904_100000737910 [0,1,0,0,0,1|1,0,0]=3 1152 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)N)F 34a_100000130126_100000737910 [0,1,0,0,0,1|1,0,0]=3 1153 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)N)F 7a_100000130126_100000737910 [0,1,0,0,0,1|1,0,0]=3 1154 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)Br 34a_100000187306_100016991755 [0,1,0,0,0,1|0,0,2]=4 1155 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)Br 7a_100000187306_100000753453 [0,1,0,0,0,1|0,0,2]=4 1156 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)Cl 34a_100000211519_100016991755 [0,1,0,0,0,1|0,0,2]=4 1157 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)Cl 7a_100000211519_100000753453 [0,1,0,0,0,1|0,0,2]=4 1158 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)F 34a_100000081862_100016991755 [0,1,0,0,0,1|0,0,2]=4 1159 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)F 7a_100000081862_100000753453 [0,1,0,0,0,1|0,0,2]=4 1160 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)I 34a_100011216129_100016991755 [0,1,0,0,0,1|0,0,2]=4 1161 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)I 7a_100011216129_100000753453 [0,1,0,0,0,1|0,0,2]=4 1162 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)N 34a_100000703291_100016991755 [0,1,0,0,0,1|0,0,2]=4 1163 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)N 7a_100000703291_100000753453 [0,1,0,0,0,1|0,0,2]=4 1164 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)Br 34a_100000187306_100000765167 [0,1,0,0,0,1|2,0,0]=4 1165 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)Br 7a_100000187306_100000765167 [0,1,0,0,0,1|2,0,0]=4 1166 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)Cl 34a_100000211519_100000765167 [0,1,0,0,0,1|2,0,0]=4 1167 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)Cl 7a_100000211519_100000765167 [0,1,0,0,0,1|2,0,0]=4 1168 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)F 34a_100000081862_100000765167 [0,1,0,0,0,1|2,0,0]=4 1169 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)F 7a_100000081862_100000765167 [0,1,0,0,0,1|2,0,0]=4 1170 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)I 34a_100011216129_100000765167 [0,1,0,0,0,1|2,0,0]=4 1171 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)I 7a_100011216129_100000765167 [0,1,0,0,0,1|2,0,0]=4 1172 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)N 34a_100000703291_100000765167 [0,1,0,0,0,1|2,0,0]=4 1173 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)N 7a_100000703291_100000765167 [0,1,0,0,0,1|2,0,0]=4 1174 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Br)Br 62a_100000737910_200010208242 [0,1,0,0,0,1|1,0,0]=3 1175 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Br)Br 62a_200010208242_100000737910 [0,1,0,0,0,1|1,0,0]=3 1176 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Br)F 62a_100000737910_100010208209 [0,1,0,0,0,1|1,0,0]=3 1177 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Br)F 62a_100010208209_100000737910 [0,1,0,0,0,1|1,0,0]=3 1178 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)Br 62a_100000737910_100009814048 [0,1,0,0,0,1|0,0,0]=2 1179 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)Br 62a_100009814048_100000737910 [0,1,0,0,0,1|0,0,0]=2 1180 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)Cl 62a_100000737910_100010244930 [0,1,0,0,0,1|0,0,0]=2 1181 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)Cl 62a_100010244930_100000737910 [0,1,0,0,0,1|0,0,0]=2 1182 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)F 62a_100000737910_100012356666 [0,1,0,0,0,1|0,0,0]=2 1183 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)F 62a_100012356666_100000737910 [0,1,0,0,0,1|0,0,0]=2 1184 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)N 62a_100000215964_100000737910 [0,1,0,0,0,1|0,0,0]=2 1185 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)N 62a_100000737910_100000215964 [0,1,0,0,0,1|0,0,0]=2 1186 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)O 62a_100000243743_100000737910 [0,1,0,0,0,1|0,0,0]=2 1187 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)O 62a_100000737910_100000243743 [0,1,0,0,0,1|0,0,0]=2 1188 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200000035511 [0,1,0,0,0,1|1,0,0]=3 1189 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)Cl 62a_200000035511_100000737910 [0,1,0,0,0,1|1,0,0]=3 1190 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)F 62a_100000737910_100010079234 [0,1,0,0,0,1|1,0,0]=3 1191 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)F 62a_100010079234_100000737910 [0,1,0,0,0,1|1,0,0]=3 1192 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)F)F 62a_100000737910_100015332101 [0,1,0,0,0,1|1,0,0]=3 1193 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)F)F 62a_100015332101_100000737910 [0,1,0,0,0,1|1,0,0]=3 1194 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)F)N 62a_100000737910_100010115923 [0,1,0,0,0,1|1,0,0]=3 1195 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)F)N 62a_100010115923_100000737910 [0,1,0,0,0,1|1,0,0]=3 1196 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)N)Cl 62a_100000698757_100000737910 [0,1,0,0,0,1|1,0,0]=3 1197 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)N)Cl 62a_100000737910_100000698757 [0,1,0,0,0,1|1,0,0]=3 1198 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)O)Cl 62a_100000737910_100010254216 [0,1,0,0,0,1|1,0,0]=3 1199 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)O)Cl 62a_100010254216_100000737910 [0,1,0,0,0,1|1,0,0]=3 1200 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)Br 62a_100009814048_100016991755 [0,1,0,0,0,1|0,0,2]=4 1201 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)Br 62a_100016991755_100009814048 [0,1,0,0,0,1|0,0,2]=4 1202 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)Cl 62a_100010244930_100016991755 [0,1,0,0,0,1|0,0,2]=4 1203 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)Cl 62a_100016991755_100010244930 [0,1,0,0,0,1|0,0,2]=4 1204 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)F 62a_100012356666_100016991755 [0,1,0,0,0,1|0,0,2]=4 1205 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)F 62a_100016991755_100012356666 [0,1,0,0,0,1|0,0,2]=4 1206 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)N 62a_100000215964_100016991755 [0,1,0,0,0,1|0,0,2]=4 1207 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)N 62a_100016991755_100000215964 [0,1,0,0,0,1|0,0,2]=4 1208 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)O 62a_100000243743_100016991755 [0,1,0,0,0,1|0,0,2]=4 1209 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)O 62a_100016991755_100000243743 [0,1,0,0,0,1|0,0,2]=4 1210 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)Br 62a_100000765167_100009814048 [0,1,0,0,0,1|2,0,0]=4 1211 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)Br 62a_100009814048_100000765167 [0,1,0,0,0,1|2,0,0]=4 1212 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)Cl 62a_100000765167_100010244930 [0,1,0,0,0,1|2,0,0]=4 1213 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)Cl 62a_100010244930_100000765167 [0,1,0,0,0,1|2,0,0]=4 1214 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)F 62a_100000765167_100012356666 [0,1,0,0,0,1|2,0,0]=4 1215 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)F 62a_100012356666_100000765167 [0,1,0,0,0,1|2,0,0]=4 1216 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)N 62a_100000215964_100000765167 [0,1,0,0,0,1|2,0,0]=4 1217 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)N 62a_100000765167_100000215964 [0,1,0,0,0,1|2,0,0]=4 1218 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)O 62a_100000243743_100000765167 [0,1,0,0,0,1|2,0,0]=4 1219 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)O 62a_100000765167_100000243743 [0,1,0,0,0,1|2,0,0]=4 1220 B17R2.83661 Cc1cc(nc(c1SCC2=NCCN2)C)N 62a_100000699364_100000737910 [0,1,0,0,0,1|1,0,0]=3 1221 B17R2.83661 Cc1cc(nc(c1SCC2=NCCN2)C)N 62a_100000737910_100000699364 [0,1,0,0,0,1|1,0,0]=3 1222 B17R2.83661 Cc1nc(cc(c1OCC2=NCCN2)Br)Br 34a_200010233669_100000737910 [0,1,0,0,0,1|2,0,0]=4 1223 B17R2.83661 Cc1nc(cc(c1OCC2=NCCN2)Br)Br 7a_200010233669_100000737910 [0,1,0,0,0,1|2,0,0]=4 1224 B17R2.83661 Cc1nc(nc(c1SCC2=NCCN2)C)N 62a_100000737910_100009814254 [0,1,0,0,0,1|2,0,0]=4 1225 B17R2.83661 Cc1nc(nc(c1SCC2=NCCN2)C)N 62a_100009814254_100000737910 [0,1,0,0,0,1|2,0,0]=4 1226 B17R2.83661 Clc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000724118_100000737910 [0,1,0,0,0,1|2,0,0]=4 1227 B17R2.83661 Clc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100011218119_100000737910 [0,1,0,0,0,1|2,0,0]=4 1228 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_100012337757_100000737910 [0,1,0,0,0,1|2,0,0]=4 1229 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Br 7a_100012337757_100000737910 [0,1,0,0,0,1|2,0,0]=4 1230 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 34a_200000243811_100000737910 [0,1,0,0,0,1|2,0,0]=4 1231 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 7a_200000243811_100000737910 [0,1,0,0,0,1|2,0,0]=4 1232 B17R2.83661 Clc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100000737910_200009992027 [0,1,0,0,0,1|2,0,0]=4 1233 B17R2.83661 Clc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_200009992027_100000737910 [0,1,0,0,0,1|2,0,0]=4 1234 B17R2.83661 Clc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000210601_100000737910 [0,1,0,0,0,1|2,0,0]=4 1235 B17R2.83661 Clc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000210218_100000737910 [0,1,0,0,0,1|2,0,0]=4 1236 B17R2.83661 Clc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000210218_100000737910 [0,1,0,0,0,1|2,0,0]=4 1237 B17R2.83661 Clc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100000737910_200011216440 [0,1,0,0,0,1|2,0,0]=4 1238 B17R2.83661 Clc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_200011216440_100000737910 [0,1,0,0,0,1|2,0,0]=4 1239 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)Cl 34a_200012339341_100000737910 [0,1,0,0,0,1|2,0,0]=4 1240 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)Cl 7a_200012339341_100000737910 [0,1,0,0,0,1|2,0,0]=4 1241 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)I 7a_100000730656_100000737910 [0,1,0,0,0,1|2,0,0]=4 1242 B17R2.83661 Clc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100011216035_100000737910 [0,1,0,0,0,1|2,0,0]=4 1243 B17R2.83661 Clc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000211608_100000737910 [0,1,0,0,0,1|2,0,0]=4 1244 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100012337755_100000737910 [0,1,0,0,0,1|2,0,0]=4 1245 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100012337755_100000737910 [0,1,0,0,0,1|2,0,0]=4 1246 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000753780_100000737910 [0,1,0,0,0,1|2,0,0]=4 1247 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000753780_100000737910 [0,1,0,0,0,1|2,0,0]=4 1248 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)I 7a_100012339652_100000737910 [0,1,0,0,0,1|2,0,0]=4 1249 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)I)I 7a_100009997439_100000737910 [0,1,0,0,0,1|2,0,0]=4 1250 B17R2.83661 Clc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_200011263224 [0,1,0,0,0,1|2,0,0]=4 1251 B17R2.83661 Clc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_200011263224_100000737910 [0,1,0,0,0,1|2,0,0]=4 1252 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000211720_100000737910 [0,1,0,0,0,1|2,0,0]=4 1253 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100000694656_100000737910 [0,1,0,0,0,1|2,0,0]=4 1254 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)F 34a_100000211602_100000737910 [0,1,0,0,0,1|2,0,0]=4 1255 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_100011215434_100000737910 [0,1,0,0,0,1|2,0,0]=4 1256 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Br 7a_100011215434_100000737910 [0,1,0,0,0,1|2,0,0]=4 1257 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 34a_100011830411_100000737910 [0,1,0,0,0,1|2,0,0]=4 1258 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 7a_100011830411_100000737910 [0,1,0,0,0,1|2,0,0]=4 1259 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)F 34a_100000688693_100000737910 [0,1,0,0,0,1|2,0,0]=4 1260 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)F 7a_100000688693_100000737910 [0,1,0,0,0,1|2,0,0]=4 1261 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Br 62a_100000737910_100009813983 [0,1,0,0,0,1|2,0,0]=4 1262 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Br 62a_100009813983_100000737910 [0,1,0,0,0,1|2,0,0]=4 1263 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100000737910_100012356682 [0,1,0,0,0,1|2,0,0]=4 1264 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100012356682_100000737910 [0,1,0,0,0,1|2,0,0]=4 1265 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)F 62a_100000720994_100000737910 [0,1,0,0,0,1|2,0,0]=4 1266 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)F 62a_100000737910_100000720994 [0,1,0,0,0,1|2,0,0]=4 1267 B17R2.83661 Fc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000688861_100000737910 [0,1,0,0,0,1|2,0,0]=4 1268 B17R2.83661 Fc1cc(c(c(c1)Cl)NCC2=NCCN2)F 34a_100000688773_100000737910 [0,1,0,0,0,1|2,0,0]=4 1269 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100011217724_100000737910 [0,1,0,0,0,1|2,0,0]=4 1270 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100011217724_100000737910 [0,1,0,0,0,1|2,0,0]=4 1271 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)F 34a_100011935252_100000737910 [0,1,0,0,0,1|2,0,0]=4 1272 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)F 7a_100011935252_100000737910 [0,1,0,0,0,1|2,0,0]=4 1273 B17R2.83661 Fc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100000737910_100010175091 [0,1,0,0,0,1|2,0,0]=4 1274 B17R2.83661 Fc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100010175091_100000737910 [0,1,0,0,0,1|2,0,0]=4 1275 B17R2.83661 Fc1cc(c(c(c1)F)NCC2=NCCN2)F 34a_100000760425_100000737910 [0,1,0,0,0,1|2,0,0]=4 1276 B17R2.83661 Fc1cc(c(c(c1)F)OCC2=NCCN2)F 34a_100011218396_100000737910 [0,1,0,0,0,1|2,0,0]=4 1277 B17R2.83661 Fc1cc(c(c(c1)F)OCC2=NCCN2)F 7a_100011218396_100000737910 [0,1,0,0,0,1|2,0,0]=4 1278 B17R2.83661 Fc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100000243675_100000737910 [0,1,0,0,0,1|2,0,0]=4 1279 B17R2.83661 Fc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100000737910_100000243675 [0,1,0,0,0,1|2,0,0]=4 1280 B17R2.83661 Fc1cc(c(c(c1)I)NCC2=NCCN2)F 34a_100102885649_100000737910 [0,1,0,0,0,1|2,0,0]=4 1281 B17R2.83661 Fc1cc(c(c(c1)I)OCC2=NCCN2)Br 34a_200013085147_100000737910 [0,1,0,0,0,1|2,0,0]=4 1282 B17R2.83661 Fc1cc(c(c(c1)I)OCC2=NCCN2)Br 7a_200013085147_100000737910 [0,1,0,0,0,1|2,0,0]=4 1283 B17R2.83661 Fc1cc(c(c(c1)I)OCC2=NCCN2)F 34a_200013204775_100000737910 [0,1,0,0,0,1|2,0,0]=4 1284 B17R2.83661 Fc1cc(c(c(c1)I)OCC2=NCCN2)F 7a_200013204775_100000737910 [0,1,0,0,0,1|2,0,0]=4 1285 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100011215609_100000737910 [0,1,0,0,0,1|2,0,0]=4 1286 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Br)Cl 34a_100011217455_100000737910 [0,1,0,0,0,1|2,0,0]=4 1287 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000725741_100000737910 [0,1,0,0,0,1|2,0,0]=4 1288 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Br 7a_100000725741_100000737910 [0,1,0,0,0,1|2,0,0]=4 1289 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100000688862_100000737910 [0,1,0,0,0,1|2,0,0]=4 1290 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100000688862_100000737910 [0,1,0,0,0,1|2,0,0]=4 1291 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100000758902_100000737910 [0,1,0,0,0,1|2,0,0]=4 1292 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Br 7a_100000758902_100000737910 [0,1,0,0,0,1|2,0,0]=4 1293 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100000695146_100000737910 [0,1,0,0,0,1|2,0,0]=4 1294 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100000695146_100000737910 [0,1,0,0,0,1|2,0,0]=4 1295 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)I 34a_100012353610_100000737910 [0,1,0,0,0,1|2,0,0]=4 1296 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100011216695_100000737910 [0,1,0,0,0,1|2,0,0]=4 1297 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100011216695_100000737910 [0,1,0,0,0,1|2,0,0]=4 1298 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Br)Cl 34a_100011830412_100000737910 [0,1,0,0,0,1|2,0,0]=4 1299 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Br)Cl 7a_100011830412_100000737910 [0,1,0,0,0,1|2,0,0]=4 1300 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100011216646_100000737910 [0,1,0,0,0,1|2,0,0]=4 1301 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100011216646_100000737910 [0,1,0,0,0,1|2,0,0]=4 1302 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)Br 34a_100011216917_100000737910 [0,1,0,0,0,1|2,0,0]=4 1303 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)Br 7a_100011216917_100000737910 [0,1,0,0,0,1|2,0,0]=4 1304 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)Cl 34a_100011830429_100000737910 [0,1,0,0,0,1|2,0,0]=4 1305 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)Cl 7a_100011830429_100000737910 [0,1,0,0,0,1|2,0,0]=4 1306 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)I 34a_200011830255_100000737910 [0,1,0,0,0,1|2,0,0]=4 1307 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)F)I 7a_200011830255_100000737910 [0,1,0,0,0,1|2,0,0]=4 1308 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)I)Br 34a_100013354677_100000737910 [0,1,0,0,0,1|2,0,0]=4 1309 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)I)Br 7a_100013354677_100000737910 [0,1,0,0,0,1|2,0,0]=4 1310 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Br)Br 62a_100000708766_100000737910 [0,1,0,0,0,1|2,0,0]=4 1311 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Br)Br 62a_100000737910_100000708766 [0,1,0,0,0,1|2,0,0]=4 1312 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Br)Cl 62a_100000737910_100009993495 [0,1,0,0,0,1|2,0,0]=4 1313 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Br)Cl 62a_100009993495_100000737910 [0,1,0,0,0,1|2,0,0]=4 1314 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_100010212234 [0,1,0,0,0,1|2,0,0]=4 1315 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100010212234_100000737910 [0,1,0,0,0,1|2,0,0]=4 1316 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)F)Br 62a_100000737910_100009813614 [0,1,0,0,0,1|2,0,0]=4 1317 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)F)Br 62a_100009813614_100000737910 [0,1,0,0,0,1|2,0,0]=4 1318 B17R2.83661 Ic1cc(c(c(c1)I)OCC2=NCCN2)I 7a_100000210296_100000737910 [0,1,0,0,0,1|2,0,0]=4 1319 B17R2.83661 Nc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_200000186426_100000737910 [0,1,0,0,0,1|2,0,0]=4 1320 B17R2.83661 Nc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000695418_100000737910 [0,1,0,0,0,1|2,0,0]=4 1321 B17R2.83661 Nc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000695418_100000737910 [0,1,0,0,0,1|2,0,0]=4 1322 B17R2.83661 Nc1cc(c(c(c1)Cl)SCC2=NCCN2)F 62a_100000737910_100014833993 [0,1,0,0,0,1|2,0,0]=4 1323 B17R2.83661 Nc1cc(c(c(c1)Cl)SCC2=NCCN2)F 62a_100014833993_100000737910 [0,1,0,0,0,1|2,0,0]=4 1324 B17R2.83661 Nc1cc(c(c(c1)F)OCC2=NCCN2)F 34a_100016987357_100000737910 [0,1,0,0,0,1|2,0,0]=4 1325 B17R2.83661 Nc1cc(c(c(c1)F)OCC2=NCCN2)F 7a_100016987357_100000737910 [0,1,0,0,0,1|2,0,0]=4 1326 B17R2.83661 Nc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100000057532_100000737910 [0,1,0,0,0,1|2,0,0]=4 1327 B17R2.83661 Nc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100000737910_100000057532 [0,1,0,0,0,1|2,0,0]=4 1328 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100010781877_100000737910 [0,1,0,0,0,1|2,0,0]=4 1329 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100010781877_100000737910 [0,1,0,0,0,1|2,0,0]=4 1330 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)Cl 34a_106741647128_100000737910 [0,1,0,0,0,1|2,0,0]=4 1331 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)Cl 7a_106741647128_100000737910 [0,1,0,0,0,1|2,0,0]=4 1332 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)F 34a_200011217456_100000737910 [0,1,0,0,0,1|2,0,0]=4 1333 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Br)F 7a_200011217456_100000737910 [0,1,0,0,0,1|2,0,0]=4 1334 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000694353_100000737910 [0,1,0,0,0,1|2,0,0]=4 1335 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000694353_100000737910 [0,1,0,0,0,1|2,0,0]=4 1336 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Cl 34a_100000695819_100000737910 [0,1,0,0,0,1|2,0,0]=4 1337 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100000695819_100000737910 [0,1,0,0,0,1|2,0,0]=4 1338 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)F)Br 34a_100011217383_100000737910 [0,1,0,0,0,1|2,0,0]=4 1339 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)F)Br 7a_100011217383_100000737910 [0,1,0,0,0,1|2,0,0]=4 1340 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)F)F 34a_100015205836_100000737910 [0,1,0,0,0,1|2,0,0]=4 1341 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)F)F 7a_100015205836_100000737910 [0,1,0,0,0,1|2,0,0]=4 1342 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)I)Br 7a_100016071998_100000737910 [0,1,0,0,0,1|2,0,0]=4 1343 B17R2.83661 Nc1cc(cc(c1SCC2=NCCN2)Br)Cl 62a_100000737910_100011155807 [0,1,0,0,0,1|2,0,0]=4 1344 B17R2.83661 Nc1cc(cc(c1SCC2=NCCN2)Br)Cl 62a_100011155807_100000737910 [0,1,0,0,0,1|2,0,0]=4 1345 B17R2.83661 Nc1cc(cc(c1SCC2=NCCN2)Br)F 62a_100000737910_200010740111 [0,1,0,0,0,1|2,0,0]=4 1346 B17R2.83661 Nc1cc(cc(c1SCC2=NCCN2)Br)F 62a_200010740111_100000737910 [0,1,0,0,0,1|2,0,0]=4 1347 B17R2.83661 Nc1cc(cc(c1SCC2=NCCN2)F)Cl 62a_100000737910_200021297760 [0,1,0,0,0,1|2,0,0]=4 1348 B17R2.83661 Nc1cc(cc(c1SCC2=NCCN2)F)Cl 62a_200021297760_100000737910 [0,1,0,0,0,1|2,0,0]=4 1349 B17R2.83661 Nc1cc(cc(c1SCC2=NCCN2)F)F 62a_100000716482_100000737910 [0,1,0,0,0,1|2,0,0]=4 1350 B17R2.83661 Nc1cc(cc(c1SCC2=NCCN2)F)F 62a_100000737910_100000716482 [0,1,0,0,0,1|2,0,0]=4 1351 B17R2.83661 Oc1cc(c(c(c1)F)NCC2=NCCN2)F 34a_100000036573_100000737910 [0,1,0,0,0,1|2,0,0]=4 1352 B17R2.83661 Oc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100000737910_100009816007 [0,1,0,0,0,1|2,0,0]=4 1353 B17R2.83661 Oc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100009816007_100000737910 [0,1,0,0,0,1|2,0,0]=4 1354 B17R2.83661 Oc1cc(c(c(c1)O)SCC2=NCCN2)O 62a_100000737910_200010341185 [0,1,0,0,0,1|2,0,0]=4 1355 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100015475841_100000737910 [0,1,0,0,0,1|2,0,0]=4 1356 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100010883250_100000737910 [0,1,0,0,0,1|2,0,0]=4 1357 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100010883250_100000737910 [0,1,0,0,0,1|2,0,0]=4 1358 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)F 34a_100011217947_100000737910 [0,1,0,0,0,1|2,0,0]=4 1359 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)F 7a_100011217947_100000737910 [0,1,0,0,0,1|2,0,0]=4 1360 B17R2.83661 Oc1cc(cc(c1SCC2=NCCN2)F)F 62a_100000737910_100009815984 [0,1,0,0,0,1|2,0,0]=4 1361 B17R2.83661 Oc1cc(cc(c1SCC2=NCCN2)F)F 62a_100009815984_100000737910 [0,1,0,0,0,1|2,0,0]=4 1362 B17R2.146246 Cc1c[nH]c(n1)CNc2c(cccc2C)C 207a_100000185769_100000082322 [0,1,0,0,0,1|0,0,2]=4 1363 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2C)C 62a_100000758300_100161115468 [0,1,0,0,0,1|0,0,2]=4 1364 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2C)C 62a_100161115468_100000758300 [0,1,0,0,0,1|0,0,2]=4 1365 B17R2.146246 Cc1cccc(c1OCc2n[nH]c(=O)[nH]2)C 7a_100000210341_100000754189 [0,1,0,0,0,1|1,0,1]=4 1366 B17R2.146246 Cc1cccc(c1SCc2n[nH]c(=O)[nH]2)C 62a_100000033847_100000754189 [0,1,0,0,0,1|1,0,1]=4 1367 B17R2.276976 Cc1c(c(=O)ccn1C)OCC2=NCCN2 34a_100000032683_100000737910 [0,1,0,0,0,1|2,0,0]=4 1368 B17R2.276976 Cc1c(c(=O)ccn1C)OCC2=NCCN2 7a_100000032683_100000737910 [0,1,0,0,0,1|2,0,0]=4 1369 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)Br)F 34a_100011009917_100000737910 [0,1,0,0,0,1|1,0,0]=3 1370 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)Cl)Cl 34a_100009961198_100000737910 [0,1,0,0,0,1|1,0,0]=3 1371 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)F)Br 34a_100010588651_100000737910 [0,1,0,0,0,1|1,0,0]=3 1372 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)O)Br 34a_100013039247_100000737910 [0,1,0,0,0,1|1,0,0]=3 1373 B17R2.276976 Cc1c(ccc(c1OCC2=NCCN2)Br)Cl 34a_200010391122_100000737910 [0,1,0,0,0,1|1,0,0]=3 1374 B17R2.276976 Cc1c(ccc(c1OCC2=NCCN2)Br)Cl 7a_200010391122_100000737910 [0,1,0,0,0,1|1,0,0]=3 1375 B17R2.276976 Cc1c(ccc(c1OCC2=NCCN2)Br)F 34a_200010391124_100000737910 [0,1,0,0,0,1|1,0,0]=3 1376 B17R2.276976 Cc1c(ccc(c1OCC2=NCCN2)Br)F 7a_200010391124_100000737910 [0,1,0,0,0,1|1,0,0]=3 1377 B17R2.276976 Cc1c(ccc(c1SCC2=NCCN2)F)F 62a_100000737910_100010167959 [0,1,0,0,0,1|1,0,0]=3 1378 B17R2.276976 Cc1c(ccc(c1SCC2=NCCN2)F)F 62a_100010167959_100000737910 [0,1,0,0,0,1|1,0,0]=3 1379 B17R2.276976 Cc1c(cnc(c1SCC2=NCCN2)N)Br 62a_100000737910_100010254231 [0,1,0,0,0,1|2,0,0]=4 1380 B17R2.276976 Cc1c(cnc(c1SCC2=NCCN2)N)Br 62a_100010254231_100000737910 [0,1,0,0,0,1|2,0,0]=4 1381 B17R2.276976 Cc1ccc(c(c1Br)OCC2=NCCN2)F 34a_200010223207_100000737910 [0,1,0,0,0,1|2,0,0]=4 1382 B17R2.276976 Cc1ccc(c(c1Br)OCC2=NCCN2)F 7a_200010223207_100000737910 [0,1,0,0,0,1|2,0,0]=4 1383 B17R2.276976 Cc1ccc(c(c1C)NCC2=NCCN2)C 34a_100000117417_100000737910 [0,1,0,0,0,1|0,0,0]=2 1384 B17R2.276976 Cc1ccc(c(c1C)NCC2=NCCN2)C 7a_100000117417_100000737910 [0,1,0,0,0,1|0,0,0]=2 1385 B17R2.276976 Cc1ccc(c(c1C)NCc2ncc[nH]2)C 207a_100000117417_100000743867 [0,1,0,0,0,1|0,0,2]=4 1386 B17R2.276976 Cc1ccc(c(c1C)NCc2ncc[nH]2)C 2230a_100000117417_100016991755 [0,1,0,0,0,1|0,0,2]=4 1387 B17R2.276976 Cc1ccc(c(c1C)NCc2ncc[nH]2)C 34a_100000117417_100016991755 [0,1,0,0,0,1|0,0,2]=4 1388 B17R2.276976 Cc1ccc(c(c1C)NCc2ncc[nH]2)C 7a_100000117417_100000753453 [0,1,0,0,0,1|0,0,2]=4 1389 B17R2.276976 Cc1ccc(c(c1C)NCc2nnn[nH]2)C 34a_100000117417_100000765167 [0,1,0,0,0,1|2,0,0]=4 1390 B17R2.276976 Cc1ccc(c(c1C)NCc2nnn[nH]2)C 7a_100000117417_100000765167 [0,1,0,0,0,1|2,0,0]=4 1391 B17R2.276976 Cc1ccc(c(c1C)OCC2=NCCN2)C 34a_100000211305_100000737910 [0,1,0,0,0,1|0,0,0]=2 1392 B17R2.276976 Cc1ccc(c(c1C)OCC2=NCCN2)C 7a_100000211305_100000737910 [0,1,0,0,0,1|0,0,0]=2 1393 B17R2.276976 Cc1ccc(c(c1C)OCc2ncc[nH]2)C 34a_100000211305_100016991755 [0,1,0,0,0,1|0,0,2]=4 1394 B17R2.276976 Cc1ccc(c(c1C)OCc2ncc[nH]2)C 7a_100000211305_100000753453 [0,1,0,0,0,1|0,0,2]=4 1395 B17R2.276976 Cc1ccc(c(c1C)OCc2nnn[nH]2)C 34a_100000211305_100000765167 [0,1,0,0,0,1|2,0,0]=4 1396 B17R2.276976 Cc1ccc(c(c1C)OCc2nnn[nH]2)C 7a_100000211305_100000765167 [0,1,0,0,0,1|2,0,0]=4 1397 B17R2.276976 Cc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_100000210993_100000737910 [0,1,0,0,0,1|2,0,0]=4 1398 B17R2.276976 Cc1ccc(c(c1Cl)NCC2=NCCN2)F 34a_106744479701_100000737910 [0,1,0,0,0,1|2,0,0]=4 1399 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)Cl 34a_200000087117_100000737910 [0,1,0,0,0,1|2,0,0]=4 1400 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)Cl 7a_200000087117_100000737910 [0,1,0,0,0,1|2,0,0]=4 1401 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)F 34a_100000035349_100000737910 [0,1,0,0,0,1|2,0,0]=4 1402 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)F 7a_100000035349_100000737910 [0,1,0,0,0,1|2,0,0]=4 1403 B17R2.276976 Cc1ccc(c(c1F)NCC2=NCCN2)Cl 34a_100000062009_100000737910 [0,1,0,0,0,1|2,0,0]=4 1404 B17R2.276976 Cc1ccc(c(c1F)NCC2=NCCN2)F 34a_102495364760_100000737910 [0,1,0,0,0,1|2,0,0]=4 1405 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Br 34a_100000722096_100000737910 [0,1,0,0,0,1|2,0,0]=4 1406 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Br 7a_100000722096_100000737910 [0,1,0,0,0,1|2,0,0]=4 1407 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Cl 34a_200000034537_100000737910 [0,1,0,0,0,1|2,0,0]=4 1408 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Cl 7a_200000034537_100000737910 [0,1,0,0,0,1|2,0,0]=4 1409 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)F 34a_100011216644_100000737910 [0,1,0,0,0,1|2,0,0]=4 1410 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)F 7a_100011216644_100000737910 [0,1,0,0,0,1|2,0,0]=4 1411 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)Br 34a_200010074581_100000737910 [0,1,0,0,0,1|0,0,0]=2 1412 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)Cl 34a_200020642106_100000737910 [0,1,0,0,0,1|0,0,0]=2 1413 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)I 34a_200010115591_100000737910 [0,1,0,0,0,1|0,0,0]=2 1414 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Br 207a_200010074581_100000743867 [0,1,0,0,0,1|0,0,2]=4 1415 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Br 34a_200010074581_100016991755 [0,1,0,0,0,1|0,0,2]=4 1416 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Cl 207a_200020642106_100000743867 [0,1,0,0,0,1|0,0,2]=4 1417 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Cl 2230a_200020642106_100016991755 [0,1,0,0,0,1|0,0,2]=4 1418 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Cl 34a_200020642106_100016991755 [0,1,0,0,0,1|0,0,2]=4 1419 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)I 207a_200010115591_100000743867 [0,1,0,0,0,1|0,0,2]=4 1420 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)I 34a_200010115591_100016991755 [0,1,0,0,0,1|0,0,2]=4 1421 B17R2.276976 Cc1ccc(c(c1NCc2nnn[nH]2)C)Br 34a_200010074581_100000765167 [0,1,0,0,0,1|2,0,0]=4 1422 B17R2.276976 Cc1ccc(c(c1NCc2nnn[nH]2)C)Cl 34a_200020642106_100000765167 [0,1,0,0,0,1|2,0,0]=4 1423 B17R2.276976 Cc1ccc(c(c1NCc2nnn[nH]2)C)I 34a_200010115591_100000765167 [0,1,0,0,0,1|2,0,0]=4 1424 B17R2.276976 Cc1ccc(c(c1OCC2=NCCN2)Cl)N 34a_100000036876_100000737910 [0,1,0,0,0,1|1,0,0]=3 1425 B17R2.276976 Cc1ccc(c(c1OCC2=NCCN2)Cl)N 7a_100000036876_100000737910 [0,1,0,0,0,1|1,0,0]=3 1426 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)F 62a_100000737910_100011068659 [0,1,0,0,0,1|0,0,0]=2 1427 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)F 62a_100011068659_100000737910 [0,1,0,0,0,1|0,0,0]=2 1428 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)N 62a_100000737910_106354213274 [0,1,0,0,0,1|0,0,0]=2 1429 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)N 62a_106354213274_100000737910 [0,1,0,0,0,1|0,0,0]=2 1430 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)O 62a_100000737910_100010659238 [0,1,0,0,0,1|0,0,0]=2 1431 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)O 62a_100010659238_100000737910 [0,1,0,0,0,1|0,0,0]=2 1432 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)O)F 62a_100000737910_200010223207 [0,1,0,0,0,1|1,0,0]=3 1433 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)O)F 62a_200010223207_100000737910 [0,1,0,0,0,1|1,0,0]=3 1434 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)F 62a_100011068659_100016991755 [0,1,0,0,0,1|0,0,2]=4 1435 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)F 62a_100016991755_100011068659 [0,1,0,0,0,1|0,0,2]=4 1436 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)N 62a_100016991755_106354213274 [0,1,0,0,0,1|0,0,2]=4 1437 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)N 62a_106354213274_100016991755 [0,1,0,0,0,1|0,0,2]=4 1438 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)O 62a_100010659238_100016991755 [0,1,0,0,0,1|0,0,2]=4 1439 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)O 62a_100016991755_100010659238 [0,1,0,0,0,1|0,0,2]=4 1440 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)F 62a_100000765167_100011068659 [0,1,0,0,0,1|2,0,0]=4 1441 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)F 62a_100011068659_100000765167 [0,1,0,0,0,1|2,0,0]=4 1442 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)N 62a_100000765167_106354213274 [0,1,0,0,0,1|2,0,0]=4 1443 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)N 62a_106354213274_100000765167 [0,1,0,0,0,1|2,0,0]=4 1444 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)O 62a_100000765167_100010659238 [0,1,0,0,0,1|2,0,0]=4 1445 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)O 62a_100010659238_100000765167 [0,1,0,0,0,1|2,0,0]=4 1446 B17R2.276976 Cc1cnc(c(c1SCC2=NCCN2)C)F 62a_100000737910_100011016222 [0,1,0,0,0,1|1,0,0]=3 1447 B17R2.276976 Cc1cnc(c(c1SCC2=NCCN2)C)F 62a_100011016222_100000737910 [0,1,0,0,0,1|1,0,0]=3 1448 B17R2.276976 Cc1ncc(c(c1SCC2=NCCN2)C)N 62a_100000737910_100012352430 [0,1,0,0,0,1|1,0,0]=3 1449 B17R2.276976 Cc1ncc(c(c1SCC2=NCCN2)C)N 62a_100012352430_100000737910 [0,1,0,0,0,1|1,0,0]=3 1450 B17R2.276976 Clc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_103437851083_100000737910 [0,1,0,0,0,1|2,0,0]=4 1451 B17R2.276976 Clc1ccc(c(c1Cl)OCC2=NCCN2)Cl 34a_100000042553_100000737910 [0,1,0,0,0,1|2,0,0]=4 1452 B17R2.276976 Clc1ccc(c(c1Cl)OCC2=NCCN2)Cl 7a_100000042553_100000737910 [0,1,0,0,0,1|2,0,0]=4 1453 B17R2.276976 Clc1ccc(c(c1Cl)SCC2=NCCN2)Cl 62a_100000737910_200010170825 [0,1,0,0,0,1|2,0,0]=4 1454 B17R2.276976 Clc1ccc(c(c1Cl)SCC2=NCCN2)Cl 62a_200010170825_100000737910 [0,1,0,0,0,1|2,0,0]=4 1455 B17R2.276976 Clc1ccc(c(c1OCC2=NCCN2)Cl)Br 34a_100010089855_100000737910 [0,1,0,0,0,1|2,0,0]=4 1456 B17R2.276976 Clc1ccc(c(c1OCC2=NCCN2)Cl)Br 7a_100010089855_100000737910 [0,1,0,0,0,1|2,0,0]=4 1457 B17R2.276976 Cn1ccc(=O)c(c1SCC2=NCCN2)F 62a_100000737910_200010096536 [0,1,0,0,0,1|2,0,0]=4 1458 B17R2.276976 Cn1ccc(=O)c(c1SCC2=NCCN2)F 62a_200010096536_100000737910 [0,1,0,0,0,1|2,0,0]=4 1459 B17R2.276976 Fc1c(ccc(c1NCC2=NCCN2)Br)Cl 34a_100011010633_100000737910 [0,1,0,0,0,1|2,0,0]=4 1460 B17R2.276976 Fc1c(ccc(c1NCC2=NCCN2)Cl)Br 34a_100010995236_100000737910 [0,1,0,0,0,1|2,0,0]=4 1461 B17R2.276976 Fc1c(ccc(c1NCC2=NCCN2)Cl)Cl 34a_200000061452_100000737910 [0,1,0,0,0,1|2,0,0]=4 1462 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Br)Cl 34a_100010081130_100000737910 [0,1,0,0,0,1|2,0,0]=4 1463 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Br)Cl 7a_100010081130_100000737910 [0,1,0,0,0,1|2,0,0]=4 1464 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Br)I 34a_200010782288_100000737910 [0,1,0,0,0,1|2,0,0]=4 1465 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Br)I 7a_200010782288_100000737910 [0,1,0,0,0,1|2,0,0]=4 1466 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Cl)Br 34a_100010240321_100000737910 [0,1,0,0,0,1|2,0,0]=4 1467 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Cl)Br 7a_100010240321_100000737910 [0,1,0,0,0,1|2,0,0]=4 1468 B17R2.276976 Fc1c(ccc(c1SCC2=NCCN2)Br)Cl 62a_100000737910_100011084128 [0,1,0,0,0,1|2,0,0]=4 1469 B17R2.276976 Fc1c(ccc(c1SCC2=NCCN2)Br)Cl 62a_100011084128_100000737910 [0,1,0,0,0,1|2,0,0]=4 1470 B17R2.276976 Fc1c(ccc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_100011092007 [0,1,0,0,0,1|2,0,0]=4 1471 B17R2.276976 Fc1c(ccc(c1SCC2=NCCN2)Cl)Br 62a_100011092007_100000737910 [0,1,0,0,0,1|2,0,0]=4 1472 B17R2.276976 Fc1ccc(c(c1Br)NCC2=NCCN2)F 34a_100014094178_100000737910 [0,1,0,0,0,1|2,0,0]=4 1473 B17R2.276976 Fc1ccc(c(c1Br)OCC2=NCCN2)F 34a_100010170822_100000737910 [0,1,0,0,0,1|2,0,0]=4 1474 B17R2.276976 Fc1ccc(c(c1Br)OCC2=NCCN2)F 7a_100010170822_100000737910 [0,1,0,0,0,1|2,0,0]=4 1475 B17R2.276976 Fc1ccc(c(c1Br)SCC2=NCCN2)F 62a_100000737910_100010167956 [0,1,0,0,0,1|2,0,0]=4 1476 B17R2.276976 Fc1ccc(c(c1Br)SCC2=NCCN2)F 62a_100010167956_100000737910 [0,1,0,0,0,1|2,0,0]=4 1477 B17R2.276976 Fc1ccc(c(c1Cl)NCC2=NCCN2)F 34a_100000062006_100000737910 [0,1,0,0,0,1|2,0,0]=4 1478 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)Br 34a_100014979575_100000737910 [0,1,0,0,0,1|2,0,0]=4 1479 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)Br 7a_100014979575_100000737910 [0,1,0,0,0,1|2,0,0]=4 1480 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)F 34a_100000038336_100000737910 [0,1,0,0,0,1|2,0,0]=4 1481 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)F 7a_100000038336_100000737910 [0,1,0,0,0,1|2,0,0]=4 1482 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)Br 62a_100000737910_200037249116 [0,1,0,0,0,1|2,0,0]=4 1483 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)Br 62a_200037249116_100000737910 [0,1,0,0,0,1|2,0,0]=4 1484 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)F 62a_100000737910_100010167948 [0,1,0,0,0,1|2,0,0]=4 1485 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)F 62a_100010167948_100000737910 [0,1,0,0,0,1|2,0,0]=4 1486 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)Br 34a_100010008850_100000737910 [0,1,0,0,0,1|2,0,0]=4 1487 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)Cl 34a_200010381624_100000737910 [0,1,0,0,0,1|2,0,0]=4 1488 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)F 34a_100000037384_100000737910 [0,1,0,0,0,1|2,0,0]=4 1489 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)I 34a_100015763296_100000737910 [0,1,0,0,0,1|2,0,0]=4 1490 B17R2.276976 Fc1ccc(c(c1F)OCC2=NCCN2)Br 34a_100010243909_100000737910 [0,1,0,0,0,1|2,0,0]=4 1491 B17R2.276976 Fc1ccc(c(c1F)OCC2=NCCN2)Br 7a_100010243909_100000737910 [0,1,0,0,0,1|2,0,0]=4 1492 B17R2.276976 Fc1ccc(c(c1F)OCC2=NCCN2)F 34a_100000031686_100000737910 [0,1,0,0,0,1|2,0,0]=4 1493 B17R2.276976 Fc1ccc(c(c1F)OCC2=NCCN2)F 7a_100000031686_100000737910 [0,1,0,0,0,1|2,0,0]=4 1494 B17R2.276976 Fc1ccc(c(c1F)SCC2=NCCN2)F 62a_100000737910_100009814005 [0,1,0,0,0,1|2,0,0]=4 1495 B17R2.276976 Fc1ccc(c(c1F)SCC2=NCCN2)F 62a_100009814005_100000737910 [0,1,0,0,0,1|2,0,0]=4 1496 B17R2.276976 Fc1ccc(c(c1NCC2=NCCN2)Cl)Cl 34a_100000061523_100000737910 [0,1,0,0,0,1|2,0,0]=4 1497 B17R2.276976 Fc1ccc(c(c1NCC2=NCCN2)F)Br 34a_100025793129_100000737910 [0,1,0,0,0,1|2,0,0]=4 1498 B17R2.276976 Fc1ccc(c(c1NCC2=NCCN2)F)Cl 34a_102495364764_100000737910 [0,1,0,0,0,1|2,0,0]=4 1499 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)Cl)Cl 34a_100000062035_100000737910 [0,1,0,0,0,1|2,0,0]=4 1500 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)Cl)Cl 7a_100000062035_100000737910 [0,1,0,0,0,1|2,0,0]=4 1501 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)F)Br 34a_100010167067_100000737910 [0,1,0,0,0,1|2,0,0]=4 1502 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)F)Br 7a_100010167067_100000737910 [0,1,0,0,0,1|2,0,0]=4 1503 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)F)Cl 34a_100000034634_100000737910 [0,1,0,0,0,1|2,0,0]=4 1504 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)F)Cl 7a_100000034634_100000737910 [0,1,0,0,0,1|2,0,0]=4 1505 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200015697950 [0,1,0,0,0,1|2,0,0]=4 1506 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_200015697950_100000737910 [0,1,0,0,0,1|2,0,0]=4 1507 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)F)Br 62a_100000722365_100000737910 [0,1,0,0,0,1|2,0,0]=4 1508 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)F)Br 62a_100000737910_100000722365 [0,1,0,0,0,1|2,0,0]=4 1509 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)F)Cl 62a_100000737910_200010167938 [0,1,0,0,0,1|2,0,0]=4 1510 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)F)Cl 62a_200010167938_100000737910 [0,1,0,0,0,1|2,0,0]=4 1511 B17R2.276976 Nc1c(ccc(c1SCC2=NCCN2)F)F 62a_100000737910_100014094178 [0,1,0,0,0,1|2,0,0]=4 1512 B17R2.276976 Nc1c(ccc(c1SCC2=NCCN2)F)F 62a_100014094178_100000737910 [0,1,0,0,0,1|2,0,0]=4 1513 B17R2.276976 Nc1ccc(c(c1F)SCC2=NCCN2)F 62a_100000737910_100010070858 [0,1,0,0,0,1|2,0,0]=4 1514 B17R2.276976 Nc1ccc(c(c1F)SCC2=NCCN2)F 62a_100010070858_100000737910 [0,1,0,0,0,1|2,0,0]=4 1515 B17R2.276976 Nc1ccc(c(c1N)SCC2=NCCN2)F 62a_100010128261_100000737910 [0,1,0,0,0,1|2,0,0]=4 1516 B17R2.276976 Nc1ccc(c(c1O)SCC2=NCCN2)F 62a_100000737910_100010128263 [0,1,0,0,0,1|2,0,0]=4 1517 B17R2.276976 Nc1ccc(c(c1O)SCC2=NCCN2)F 62a_100010128263_100000737910 [0,1,0,0,0,1|2,0,0]=4 1518 B17R2.276976 Nc1ccc(c(c1OCC2=NCCN2)Br)F 34a_100010128263_100000737910 [0,1,0,0,0,1|2,0,0]=4 1519 B17R2.276976 Nc1ccc(c(c1OCC2=NCCN2)Br)F 7a_100010128263_100000737910 [0,1,0,0,0,1|2,0,0]=4 1520 B17R2.276976 Nc1ccc(c(c1OCC2=NCCN2)F)F 34a_100015205010_100000737910 [0,1,0,0,0,1|2,0,0]=4 1521 B17R2.276976 Nc1ccc(c(c1OCC2=NCCN2)F)F 7a_100015205010_100000737910 [0,1,0,0,0,1|2,0,0]=4 1522 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Br)F 62a_100000737910_100020765651 [0,1,0,0,0,1|2,0,0]=4 1523 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Br)F 62a_100020765651_100000737910 [0,1,0,0,0,1|2,0,0]=4 1524 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Br 62a_100000737910_200010779962 [0,1,0,0,0,1|2,0,0]=4 1525 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Br 62a_200010779962_100000737910 [0,1,0,0,0,1|2,0,0]=4 1526 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200011093878 [0,1,0,0,0,1|2,0,0]=4 1527 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_200011093878_100000737910 [0,1,0,0,0,1|2,0,0]=4 1528 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)F)Cl 62a_100000737910_100010134325 [0,1,0,0,0,1|2,0,0]=4 1529 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)F)Cl 62a_100010134325_100000737910 [0,1,0,0,0,1|2,0,0]=4 1530 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)F)F 62a_100000737910_100010232473 [0,1,0,0,0,1|2,0,0]=4 1531 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)F)F 62a_100010232473_100000737910 [0,1,0,0,0,1|2,0,0]=4 1532 B17R2.276976 Oc1c(ccc(c1SCC2=NCCN2)F)F 62a_100000737910_100010170822 [0,1,0,0,0,1|2,0,0]=4 1533 B17R2.276976 Oc1c(ccc(c1SCC2=NCCN2)F)F 62a_100010170822_100000737910 [0,1,0,0,0,1|2,0,0]=4 1534 B17R2.276976 Oc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_100016988457_100000737910 [0,1,0,0,0,1|2,0,0]=4 1535 B17R2.276976 Oc1ccc(c(c1Cl)NCC2=NCCN2)Cl 7a_100016988457_100000737910 [0,1,0,0,0,1|2,0,0]=4 1536 B15R2.1117 Cc1cccc(c1)NCC2=NCCN2 34a_100000188690_100000737910 [0,0,1,1,0,0|1,0,1]=4 1537 B15R2.1117 Cc1cccc(c1)OCC2=NCCN2 34a_100000210337_100000737910 [0,0,1,1,0,0|1,0,1]=4 1538 B15R2.1117 Cc1cccc(c1)OCC2=NCCN2 7a_100000210337_100000737910 [0,0,1,1,0,0|1,0,1]=4 1539 B15R2.1117 Cc1cccc(c1)SCC2=NCCN2 62a_100000737910_100011215228 [0,0,1,1,0,0|1,0,1]=4 1540 B15R2.1117 Cc1cccc(c1)SCC2=NCCN2 62a_100011215228_100000737910 [0,0,1,1,0,0|1,0,1]=4 1541 B15R2.1117 Cc1cccc(n1)SCC2=NCCN2 62a_100000737910_100000742759 [0,0,1,1,0,0|2,0,0]=4 1542 B15R2.1117 Cc1cccc(n1)SCC2=NCCN2 62a_100000742759_100000737910 [0,0,1,1,0,0|2,0,0]=4 1543 B15R2.65094 Cc1cccc(c1CC(=O)C2CC2)C 1458a_100000210395_100000758300 [0,0,1,1,0,0|2,0,0]=4 1544 B15R2.351 CCCNC1Cc2cccc(c2C1)C 270004a_100020643023_100010637320 [0,0,1,1,0,0|1,0,1]=4 1545 B15R2.351 CCNN=C1Cc2cccc(c2C1)C 4a_100000756455_100010637320 [0,0,1,1,0,0|2,0,0]=4 1546 B15R2.351 Cc1cccc2c1CC(C2)NCCO 270004a_100000210304_100010637320 [0,0,1,1,0,0|1,0,1]=4 1547 B15R2.54379 CCCN1CCc2c(cccc2C1)C 2230a_200000752276_100000210303 [0,0,1,1,0,0|1,0,1]=4 1548 B15R2.54379 CCCN1CCc2c(cccc2C1)C 269982a_200000752276_100000210303 [0,0,1,1,0,0|1,0,1]=4 1549 B15R2.54379 CCCN1CCc2c(cccc2C1)C 34a_200000752276_100000210303 [0,0,1,1,0,0|1,0,1]=4 1550 B15R2.54379 Cc1cccc2c1CCN(C2)CCF 2230a_200000752276_100011217306 [0,0,1,1,0,0|1,0,1]=4 1551 B15R2.54379 Cc1cccc2c1CCN(C2)CCF 269982a_200000752276_100011217306 [0,0,1,1,0,0|1,0,1]=4 1552 B15R2.54379 Cc1cccc2c1CCN(C2)CCF 34a_200000752276_100011217306 [0,0,1,1,0,0|1,0,1]=4 1553 B15R2.54379 Cc1cccc2c1CCN(C2)CCO 2230a_200000752276_100000211926 [0,0,1,1,0,0|1,0,1]=4 1554 B15R2.54379 Cc1cccc2c1CCN(C2)CCO 269982a_200000752276_100000211926 [0,0,1,1,0,0|1,0,1]=4 1555 B15R2.54379 Cc1cccc2c1CCN(C2)CCO 34a_200000752276_100000211926 [0,0,1,1,0,0|1,0,1]=4 1556 B13R1.2565 CCNC(=O)Cn1c(ccc1C)C 11a_100015525214_100000238583 [0,0,1,0,1,0|2,0,0]=4 1557 B13R1.2565 CCNC(=O)Cn1c(ccc1C)C 240690a_100015525214_100000238583 [0,0,1,0,1,0|2,0,0]=4 1558 B13R1.4453 CCCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210303 [0,0,1,0,1,0|2,0,0]=4 1559 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 11a_100015525214_100000701904 [0,0,1,0,1,0|2,0,0]=4 1560 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 240690a_100015525214_100000701904 [0,0,1,0,1,0|2,0,0]=4 1561 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 527a_100015525214_100000701904 [0,0,1,0,1,0|2,0,0]=4 1562 B13R1.4453 CCNC(=O)c1c(cccc1C)C 11a_100015525214_100000758298 [0,0,1,0,1,0|1,0,0]=3 1563 B13R1.4453 CCNC(=O)c1c(cccc1C)C 240690a_100015525214_100000758298 [0,0,1,0,1,0|1,0,0]=3 1564 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C 11a_100015525214_100000692601 [0,0,1,0,1,0|2,0,0]=4 1565 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C 240690a_100015525214_100000692601 [0,0,1,0,1,0|2,0,0]=4 1566 B13R1.4453 CCNC(=O)c1c(cccc1F)C 11a_100015525214_100000762013 [0,0,1,0,1,0|2,0,0]=4 1567 B13R1.4453 CCNC(=O)c1c(cccc1F)C 240690a_100015525214_100000762013 [0,0,1,0,1,0|2,0,0]=4 1568 B13R1.4453 CCNC(=O)c1c(cccc1F)C 527a_100015525214_100000762013 [0,0,1,0,1,0|2,0,0]=4 1569 B13R1.4453 CCNC(=O)c1c(cccc1I)C 11a_100015525214_100000688020 [0,0,1,0,1,0|2,0,0]=4 1570 B13R1.4453 CCNC(=O)c1c(cccc1I)C 240690a_100015525214_100000688020 [0,0,1,0,1,0|2,0,0]=4 1571 B13R1.4453 CCN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_100000210202 [0,0,1,0,1,0|1,0,1]=4 1572 B13R1.4453 CCN[C@@H](C)c1c(cccc1C)C 34a_100016987977_100000210202 [0,0,1,0,1,0|1,0,1]=4 1573 B13R1.4453 CNNC(=O)c1c(cccc1C)C 22a_100016993582_100000758298 [0,0,1,0,1,0|2,0,0]=4 1574 B13R2.18 Cc1ccccc1C2=CCCC2 271570a_100000089523_100000210755 [1,0,0,0,1,0|2,0,0]=4 1575 B13R2.18 Cc1ccccc1c2ncc[nH]2 271570a_100000747142_100025796157 [1,0,0,0,1,0|0,0,2]=4 1576 B13R2.18 Cc1ccccc1c2ncc[nH]2 271570a_100016988920_100000210755 [1,0,0,0,1,0|0,0,2]=4 1577 B13R2.5225 Cc1ccccc1CN2CCC2 269982a_100000754969_100000211839 [1,0,0,0,1,0|2,0,0]=4 1578 B13R2.402 Cc1cccc(c1NC2CC2)C 34a_100000185769_100000211595 [0,0,0,0,2,0|1,0,1]=4 1579 B13R2.402 Cc1cccc(c1OC2CC2)C 34a_100000210341_100000211595 [0,0,0,0,2,0|1,0,1]=4 1580 B13R2.402 Cc1cccc(c1SC2CC2)C 62a_100000033847_100000211595 [0,0,0,0,2,0|1,0,1]=4 1581 B15R2.562 Brc1ccccc1NCC2=NCCN2 34a_100000210017_100000737910 [1,0,0,0,0,1|1,0,0]=3 1582 B15R2.562 Brc1ccccc1OCC2=NCCN2 34a_100000181306_100000737910 [1,0,0,0,0,1|1,0,0]=3 1583 B15R2.562 Brc1ccccc1OCC2=NCCN2 7a_100000181306_100000737910 [1,0,0,0,0,1|1,0,0]=3 1584 B15R2.562 Brc1ccccc1SCC2=NCCN2 62a_100000695589_100000737910 [1,0,0,0,0,1|1,0,0]=3 1585 B15R2.562 Brc1ccccc1SCC2=NCCN2 62a_100000737910_100000695589 [1,0,0,0,0,1|1,0,0]=3 1586 B15R2.562 Brc1cccnc1SCC2=NCCN2 62a_100000696092_100000737910 [1,0,0,0,0,1|2,0,0]=4 1587 B15R2.562 Brc1cccnc1SCC2=NCCN2 62a_100000737910_100000696092 [1,0,0,0,0,1|2,0,0]=4 1588 B15R2.562 Brc1ccncc1SCC2=NCCN2 62a_100000737910_100010138639 [1,0,0,0,0,1|2,0,0]=4 1589 B15R2.562 Brc1ccncc1SCC2=NCCN2 62a_100010138639_100000737910 [1,0,0,0,0,1|2,0,0]=4 1590 B15R2.562 Brc1cnccc1OCC2=NCCN2 34a_100011996408_100000737910 [1,0,0,0,0,1|2,0,0]=4 1591 B15R2.562 Brc1cnccc1SCC2=NCCN2 62a_100000726257_100000737910 [1,0,0,0,0,1|2,0,0]=4 1592 B15R2.562 Brc1cnccc1SCC2=NCCN2 62a_100000737910_100000726257 [1,0,0,0,0,1|2,0,0]=4 1593 B15R2.562 Brc1ncccc1OCC2=NCCN2 34a_100000744436_100000737910 [1,0,0,0,0,1|2,0,0]=4 1594 B15R2.562 Brc1ncccc1OCC2=NCCN2 7a_100000744436_100000737910 [1,0,0,0,0,1|2,0,0]=4 1595 B15R2.562 Brc1ncccc1SCC2=NCCN2 62a_100000737910_100010202626 [1,0,0,0,0,1|2,0,0]=4 1596 B15R2.562 Brc1ncccc1SCC2=NCCN2 62a_100010202626_100000737910 [1,0,0,0,0,1|2,0,0]=4 1597 B15R2.562 C[n+]1ccccc1SCC2=NCCN2 62a_100000737910_100000212160 [1,0,0,0,0,1|1,0,0]=3 1598 B15R2.562 Cc1ccccc1CSc2ncc[nH]2 62a_100000211839_100025796157 [1,0,0,0,0,1|0,0,2]=4 1599 B15R2.562 Cc1ccccc1CSc2ncc[nH]2 62a_100025796157_100000211839 [1,0,0,0,0,1|0,0,2]=4 1600 B15R2.562 Cc1ccccc1NCC2=NCCN2 34a_100015192222_100000737910 [1,0,0,0,0,1|0,0,0]=2 1601 B15R2.562 Cc1ccccc1NCc2ncc[nH]2 207a_100015192222_100000743867 [1,0,0,0,0,1|0,0,2]=4 1602 B15R2.562 Cc1ccccc1NCc2ncc[nH]2 34a_100015192222_100016991755 [1,0,0,0,0,1|0,0,2]=4 1603 B15R2.562 Cc1ccccc1NCc2nnn[nH]2 34a_100015192222_100000765167 [1,0,0,0,0,1|2,0,0]=4 1604 B15R2.562 Cc1ccccc1OCC2=NCCN2 34a_100000210338_100000737910 [1,0,0,0,0,1|0,0,0]=2 1605 B15R2.562 Cc1ccccc1OCC2=NCCN2 7a_100000210338_100000737910 [1,0,0,0,0,1|0,0,0]=2 1606 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 34a_100000210338_100016991755 [1,0,0,0,0,1|0,0,2]=4 1607 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 7a_100000210338_100000753453 [1,0,0,0,0,1|0,0,2]=4 1608 B15R2.562 Cc1ccccc1OCc2nnn[nH]2 34a_100000210338_100000765167 [1,0,0,0,0,1|2,0,0]=4 1609 B15R2.562 Cc1ccccc1OCc2nnn[nH]2 7a_100000210338_100000765167 [1,0,0,0,0,1|2,0,0]=4 1610 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000210755_100000737910 [1,0,0,0,0,1|0,0,0]=2 1611 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210755 [1,0,0,0,0,1|0,0,0]=2 1612 B15R2.562 Cc1ccccc1SCc2ncc[nH]2 62a_100000210755_100016991755 [1,0,0,0,0,1|0,0,2]=4 1613 B15R2.562 Cc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000210755 [1,0,0,0,0,1|0,0,2]=4 1614 B15R2.562 Cc1ccccc1SCc2nnn[nH]2 62a_100000210755_100000765167 [1,0,0,0,0,1|2,0,0]=4 1615 B15R2.562 Cc1ccccc1SCc2nnn[nH]2 62a_100000765167_100000210755 [1,0,0,0,0,1|2,0,0]=4 1616 B15R2.562 Cc1cccnc1SCC2=NCCN2 62a_100000737910_100000751373 [1,0,0,0,0,1|1,0,0]=3 1617 B15R2.562 Cc1cccnc1SCC2=NCCN2 62a_100000751373_100000737910 [1,0,0,0,0,1|1,0,0]=3 1618 B15R2.562 Cc1ccncc1OCC2=NCCN2 34a_100011997053_100000737910 [1,0,0,0,0,1|1,0,0]=3 1619 B15R2.562 Cc1ccncc1OCC2=NCCN2 7a_100011997053_100000737910 [1,0,0,0,0,1|1,0,0]=3 1620 B15R2.562 Cc1ccncc1SCC2=NCCN2 62a_100000737910_100000761580 [1,0,0,0,0,1|1,0,0]=3 1621 B15R2.562 Cc1ccncc1SCC2=NCCN2 62a_100000761580_100000737910 [1,0,0,0,0,1|1,0,0]=3 1622 B15R2.562 Cc1ccnnc1SCC2=NCCN2 62a_100000737910_100000089043 [1,0,0,0,0,1|2,0,0]=4 1623 B15R2.562 Cc1cnccc1OCC2=NCCN2 34a_100000694293_100000737910 [1,0,0,0,0,1|1,0,0]=3 1624 B15R2.562 Cc1cnccc1SCC2=NCCN2 62a_100000737910_100000765111 [1,0,0,0,0,1|1,0,0]=3 1625 B15R2.562 Cc1cnccc1SCC2=NCCN2 62a_100000765111_100000737910 [1,0,0,0,0,1|1,0,0]=3 1626 B15R2.562 Cc1cncnc1SCC2=NCCN2 62a_100000737910_100011998708 [1,0,0,0,0,1|2,0,0]=4 1627 B15R2.562 Cc1cncnc1SCC2=NCCN2 62a_100011998708_100000737910 [1,0,0,0,0,1|2,0,0]=4 1628 B15R2.562 Cc1ncccc1OCC2=NCCN2 34a_100000745507_100000737910 [1,0,0,0,0,1|1,0,0]=3 1629 B15R2.562 Cc1ncccc1OCC2=NCCN2 7a_100000745507_100000737910 [1,0,0,0,0,1|1,0,0]=3 1630 B15R2.562 Cc1ncccc1SCC2=NCCN2 62a_100000737910_100000751574 [1,0,0,0,0,1|1,0,0]=3 1631 B15R2.562 Cc1ncccc1SCC2=NCCN2 62a_100000751574_100000737910 [1,0,0,0,0,1|1,0,0]=3 1632 B15R2.562 Cc1nccnc1OCC2=NCCN2 34a_100000766352_100000737910 [1,0,0,0,0,1|2,0,0]=4 1633 B15R2.562 Cc1nccnc1SCC2=NCCN2 62a_100000737910_100011999405 [1,0,0,0,0,1|2,0,0]=4 1634 B15R2.562 Cc1nccnc1SCC2=NCCN2 62a_100011999405_100000737910 [1,0,0,0,0,1|2,0,0]=4 1635 B15R2.562 Cc1ncncc1SCC2=NCCN2 62a_100000737910_100009819671 [1,0,0,0,0,1|2,0,0]=4 1636 B15R2.562 Cc1ncncc1SCC2=NCCN2 62a_100009819671_100000737910 [1,0,0,0,0,1|2,0,0]=4 1637 B15R2.562 Clc1ccccc1NCC2=NCCN2 34a_100000185783_100000737910 [1,0,0,0,0,1|1,0,0]=3 1638 B15R2.562 Clc1ccccc1OCC2=NCCN2 34a_100000210172_100000737910 [1,0,0,0,0,1|1,0,0]=3 1639 B15R2.562 Clc1ccccc1OCC2=NCCN2 7a_100000210172_100000737910 [1,0,0,0,0,1|1,0,0]=3 1640 B15R2.562 Clc1ccccc1SCC2=NCCN2 62a_100000737910_100000764095 [1,0,0,0,0,1|1,0,0]=3 1641 B15R2.562 Clc1ccccc1SCC2=NCCN2 62a_100000764095_100000737910 [1,0,0,0,0,1|1,0,0]=3 1642 B15R2.562 Clc1cccnc1OCC2=NCCN2 34a_100011290957_100000737910 [1,0,0,0,0,1|2,0,0]=4 1643 B15R2.562 Clc1cccnc1SCC2=NCCN2 62a_100000737910_100011356963 [1,0,0,0,0,1|2,0,0]=4 1644 B15R2.562 Clc1cccnc1SCC2=NCCN2 62a_100011356963_100000737910 [1,0,0,0,0,1|2,0,0]=4 1645 B15R2.562 Clc1ccncc1OCC2=NCCN2 34a_100011996695_100000737910 [1,0,0,0,0,1|2,0,0]=4 1646 B15R2.562 Clc1ccncc1SCC2=NCCN2 62a_100000737910_100009995489 [1,0,0,0,0,1|2,0,0]=4 1647 B15R2.562 Clc1ccncc1SCC2=NCCN2 62a_100009995489_100000737910 [1,0,0,0,0,1|2,0,0]=4 1648 B15R2.562 Clc1cnccc1OCC2=NCCN2 34a_100011997054_100000737910 [1,0,0,0,0,1|2,0,0]=4 1649 B15R2.562 Clc1cnccc1SCC2=NCCN2 62a_100000708259_100000737910 [1,0,0,0,0,1|2,0,0]=4 1650 B15R2.562 Clc1cnccc1SCC2=NCCN2 62a_100000737910_100000708259 [1,0,0,0,0,1|2,0,0]=4 1651 B15R2.562 Clc1ncccc1OCC2=NCCN2 34a_100000757616_100000737910 [1,0,0,0,0,1|2,0,0]=4 1652 B15R2.562 Clc1ncccc1OCC2=NCCN2 7a_100000757616_100000737910 [1,0,0,0,0,1|2,0,0]=4 1653 B15R2.562 Clc1ncccc1SCC2=NCCN2 62a_100000036424_100000737910 [1,0,0,0,0,1|2,0,0]=4 1654 B15R2.562 Clc1ncccc1SCC2=NCCN2 62a_100000737910_100000036424 [1,0,0,0,0,1|2,0,0]=4 1655 B15R2.562 Fc1ccccc1NCC2=NCCN2 34a_100000210422_100000737910 [1,0,0,0,0,1|1,0,0]=3 1656 B15R2.562 Fc1ccccc1OCC2=NCCN2 34a_100000210171_100000737910 [1,0,0,0,0,1|1,0,0]=3 1657 B15R2.562 Fc1ccccc1OCC2=NCCN2 7a_100000210171_100000737910 [1,0,0,0,0,1|1,0,0]=3 1658 B15R2.562 Fc1ccccc1SCC2=NCCN2 62a_100000737910_100011215700 [1,0,0,0,0,1|1,0,0]=3 1659 B15R2.562 Fc1ccccc1SCC2=NCCN2 62a_100011215700_100000737910 [1,0,0,0,0,1|1,0,0]=3 1660 B15R2.562 Fc1cccnc1OCC2=NCCN2 34a_100011219419_100000737910 [1,0,0,0,0,1|2,0,0]=4 1661 B15R2.562 Fc1cccnc1SCC2=NCCN2 62a_100000685392_100000737910 [1,0,0,0,0,1|2,0,0]=4 1662 B15R2.562 Fc1cccnc1SCC2=NCCN2 62a_100000737910_100000685392 [1,0,0,0,0,1|2,0,0]=4 1663 B15R2.562 Fc1ccncc1SCC2=NCCN2 62a_100000737910_100009820683 [1,0,0,0,0,1|2,0,0]=4 1664 B15R2.562 Fc1ccncc1SCC2=NCCN2 62a_100009820683_100000737910 [1,0,0,0,0,1|2,0,0]=4 1665 B15R2.562 Fc1cnccc1OCC2=NCCN2 34a_200000081243_100000737910 [1,0,0,0,0,1|2,0,0]=4 1666 B15R2.562 Fc1cnccc1SCC2=NCCN2 62a_100000047030_100000737910 [1,0,0,0,0,1|2,0,0]=4 1667 B15R2.562 Fc1cnccc1SCC2=NCCN2 62a_100000737910_100000047030 [1,0,0,0,0,1|2,0,0]=4 1668 B15R2.562 Fc1ncccc1OCC2=NCCN2 34a_100000061740_100000737910 [1,0,0,0,0,1|2,0,0]=4 1669 B15R2.562 Fc1ncccc1OCC2=NCCN2 7a_100000061740_100000737910 [1,0,0,0,0,1|2,0,0]=4 1670 B15R2.562 Fc1ncccc1SCC2=NCCN2 62a_100000737910_100009816115 [1,0,0,0,0,1|2,0,0]=4 1671 B15R2.562 Fc1ncccc1SCC2=NCCN2 62a_100009816115_100000737910 [1,0,0,0,0,1|2,0,0]=4 1672 B15R2.562 Ic1ccccc1NCC2=NCCN2 34a_100000210053_100000737910 [1,0,0,0,0,1|1,0,0]=3 1673 B15R2.562 Ic1ccccc1OCC2=NCCN2 34a_100000739446_100000737910 [1,0,0,0,0,1|1,0,0]=3 1674 B15R2.562 Ic1ccccc1OCC2=NCCN2 7a_100000739446_100000737910 [1,0,0,0,0,1|1,0,0]=3 1675 B15R2.562 Ic1ccncc1OCC2=NCCN2 34a_100000050107_100000737910 [1,0,0,0,0,1|2,0,0]=4 1676 B15R2.562 Ic1ncccc1OCC2=NCCN2 34a_100000034122_100000737910 [1,0,0,0,0,1|2,0,0]=4 1677 B15R2.562 Ic1ncccc1OCC2=NCCN2 7a_100000034122_100000737910 [1,0,0,0,0,1|2,0,0]=4 1678 B15R2.562 Nc1ccccc1OCC2=NCCN2 34a_100000185747_100000737910 [1,0,0,0,0,1|1,0,0]=3 1679 B15R2.562 Nc1ccccc1OCC2=NCCN2 7a_100000185747_100000737910 [1,0,0,0,0,1|1,0,0]=3 1680 B15R2.562 Nc1ccccc1SCC2=NCCN2 62a_100000210017_100000737910 [1,0,0,0,0,1|1,0,0]=3 1681 B15R2.562 Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000210017 [1,0,0,0,0,1|1,0,0]=3 1682 B15R2.562 Nc1cccnc1OCC2=NCCN2 34a_100000746358_100000737910 [1,0,0,0,0,1|2,0,0]=4 1683 B15R2.562 Nc1cccnc1SCC2=NCCN2 62a_100000688686_100000737910 [1,0,0,0,0,1|2,0,0]=4 1684 B15R2.562 Nc1cccnc1SCC2=NCCN2 62a_100000737910_100000688686 [1,0,0,0,0,1|2,0,0]=4 1685 B15R2.562 Nc1ccncc1OCC2=NCCN2 34a_100000753702_100000737910 [1,0,0,0,0,1|2,0,0]=4 1686 B15R2.562 Nc1ccncc1SCC2=NCCN2 62a_100000047001_100000737910 [1,0,0,0,0,1|2,0,0]=4 1687 B15R2.562 Nc1ccncc1SCC2=NCCN2 62a_100000737910_100000047001 [1,0,0,0,0,1|2,0,0]=4 1688 B15R2.562 Nc1cnccc1SCC2=NCCN2 62a_100000737910_100000756074 [1,0,0,0,0,1|2,0,0]=4 1689 B15R2.562 Nc1cnccc1SCC2=NCCN2 62a_100000756074_100000737910 [1,0,0,0,0,1|2,0,0]=4 1690 B15R2.562 Nc1ncccc1OCC2=NCCN2 34a_100000211975_100000737910 [1,0,0,0,0,1|2,0,0]=4 1691 B15R2.562 Nc1ncccc1OCC2=NCCN2 7a_100000211975_100000737910 [1,0,0,0,0,1|2,0,0]=4 1692 B15R2.562 Nc1ncccc1SCC2=NCCN2 62a_100000045569_100000737910 [1,0,0,0,0,1|2,0,0]=4 1693 B15R2.562 Nc1ncccc1SCC2=NCCN2 62a_100000737910_100000045569 [1,0,0,0,0,1|2,0,0]=4 1694 B15R2.562 O=c1cc[nH]cc1SCC2=NCCN2 62a_100000737910_100009998708 [1,0,0,0,0,1|2,0,0]=4 1695 B15R2.562 O=c1cc[nH]cc1SCC2=NCCN2 62a_100009998708_100000737910 [1,0,0,0,0,1|2,0,0]=4 1696 B15R2.562 O=c1ccocc1OCC2=NCCN2 34a_100000060831_100000737910 [1,0,0,0,0,1|2,0,0]=4 1697 B15R2.562 O=c1occcc1OCC2=NCCN2 34a_100000077404_100000737910 [1,0,0,0,0,1|2,0,0]=4 1698 B15R2.562 O=c1occcc1OCC2=NCCN2 7a_100000077404_100000737910 [1,0,0,0,0,1|2,0,0]=4 1699 B15R2.562 Oc1ccccc1NCC2=NCCN2 34a_100000185747_100000737910 [1,0,0,0,0,1|1,0,0]=3 1700 B15R2.562 Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000739446 [1,0,0,0,0,1|1,0,0]=3 1701 B15R2.562 Oc1ccccc1SCC2=NCCN2 62a_100000739446_100000737910 [1,0,0,0,0,1|1,0,0]=3 1702 B15R2.562 Oc1cccnc1SCC2=NCCN2 62a_100000034122_100000737910 [1,0,0,0,0,1|2,0,0]=4 1703 B15R2.562 Oc1cccnc1SCC2=NCCN2 62a_100000737910_100000034122 [1,0,0,0,0,1|2,0,0]=4 1704 B15R2.562 Oc1cnccc1SCC2=NCCN2 62a_100000737910_100009817591 [1,0,0,0,0,1|2,0,0]=4 1705 B15R2.562 Oc1cnccc1SCC2=NCCN2 62a_100009817591_100000737910 [1,0,0,0,0,1|2,0,0]=4 1706 B15R2.562 Oc1ncccc1SCC2=NCCN2 62a_100000737910_100000760158 [1,0,0,0,0,1|2,0,0]=4 1707 B15R2.562 Oc1ncccc1SCC2=NCCN2 62a_100000760158_100000737910 [1,0,0,0,0,1|2,0,0]=4 1708 B15R2.562 S=c1cc[nH]cc1SCC2=NCCN2 62a_100000737910_200012280681 [1,0,0,0,0,1|2,0,0]=4 1709 B15R2.562 S=c1cc[nH]cc1SCC2=NCCN2 62a_200012280681_100000737910 [1,0,0,0,0,1|2,0,0]=4 1710 B15R2.562 [O-][n+]1ccccc1OCC2=NCCN2 7a_100000211761_100000737910 [1,0,0,0,0,1|2,0,0]=4 1711 B15R2.562 [O-][n+]1ccccc1SCC2=NCCN2 62a_100000737910_200000042595 [1,0,0,0,0,1|2,0,0]=4 1712 B15R2.7344 Cc1n[nH]c(c1OCC2=NCCN2)C 34a_100012186652_100000737910 [0,0,0,0,1,1|2,0,0]=4 1713 B15R2.7344 Cc1n[nH]c(c1SCC2=NCCN2)C 62a_100000238710_100000737910 [0,0,0,0,1,1|2,0,0]=4 1714 B15R2.7344 Cc1n[nH]c(c1SCC2=NCCN2)C 62a_100000737910_100000238710 [0,0,0,0,1,1|2,0,0]=4 1715 B15R2.7344 Cc1noc(c1SCC2=NCCN2)C 62a_100000694658_100000737910 [0,0,0,0,1,1|2,0,0]=4 1716 B15R2.7344 Cc1noc(c1SCC2=NCCN2)C 62a_100000737910_100000694658 [0,0,0,0,1,1|2,0,0]=4 1717 B17R2.41802 Brc1cccc(c1COCC2=NCCN2)Br 34a_100010172814_100000737910 [0,0,0,0,0,2|2,0,0]=4 1718 B17R2.41802 Brc1cccc(c1COCC2=NCCN2)Br 7a_100010172814_100000737910 [0,0,0,0,0,2|2,0,0]=4 1719 B17R2.41802 Brc1cccc(c1CSCC2=NCCN2)I 62a_100000737910_100010146611 [0,0,0,0,0,2|2,0,0]=4 1720 B17R2.41802 Brc1cccc(c1CSCC2=NCCN2)I 62a_100010146611_100000737910 [0,0,0,0,0,2|2,0,0]=4 1721 B17R2.41802 Cc1cccc(c1CNCC2=NCCN2)C 34a_100000689800_100000737910 [0,0,0,0,0,2|0,0,0]=2 1722 B17R2.41802 Cc1cccc(c1CNCC2=NCCN2)F 34a_100000762012_100000737910 [0,0,0,0,0,2|1,0,0]=3 1723 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)C 207a_100000689800_100000743867 [0,0,0,0,0,2|0,0,2]=4 1724 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)C 207a_100000754540_100000758299 [0,0,0,0,0,2|0,0,2]=4 1725 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)C 270004a_100000754540_100000758299 [0,0,0,0,0,2|0,0,2]=4 1726 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)C 34a_100000689800_100016991755 [0,0,0,0,0,2|0,0,2]=4 1727 B17R2.41802 Cc1cccc(c1CNCc2nnc[nH]2)C 2230a_200015183720_100000758300 [0,0,0,0,0,2|1,0,1]=4 1728 B17R2.41802 Cc1cccc(c1CNCc2nnn[nH]2)C 34a_100000689800_100000765167 [0,0,0,0,0,2|2,0,0]=4 1729 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)C 34a_100011933981_100000737910 [0,0,0,0,0,2|0,0,0]=2 1730 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)C 7a_100011933981_100000737910 [0,0,0,0,0,2|0,0,0]=2 1731 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)Cl 34a_100000082531_100000737910 [0,0,0,0,0,2|1,0,0]=3 1732 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)Cl 7a_100000082531_100000737910 [0,0,0,0,0,2|1,0,0]=3 1733 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)F 34a_100000057874_100000737910 [0,0,0,0,0,2|1,0,0]=3 1734 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)F 7a_100000057874_100000737910 [0,0,0,0,0,2|1,0,0]=3 1735 B17R2.41802 Cc1cccc(c1COC[C@H]2CCCN2)C 34a_100000745186_100000758300 [0,0,0,0,0,2|1,0,1]=4 1736 B17R2.41802 Cc1cccc(c1COCc2ncc[nH]2)C 34a_100011933981_100016991755 [0,0,0,0,0,2|0,0,2]=4 1737 B17R2.41802 Cc1cccc(c1COCc2ncc[nH]2)C 7a_100011933981_100000753453 [0,0,0,0,0,2|0,0,2]=4 1738 B17R2.41802 Cc1cccc(c1COCc2nnn[nH]2)C 34a_100011933981_100000765167 [0,0,0,0,0,2|2,0,0]=4 1739 B17R2.41802 Cc1cccc(c1COCc2nnn[nH]2)C 7a_100011933981_100000765167 [0,0,0,0,0,2|2,0,0]=4 1740 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)Br 62a_100000737910_100010146847 [0,0,0,0,0,2|1,0,0]=3 1741 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)Br 62a_100010146847_100000737910 [0,0,0,0,0,2|1,0,0]=3 1742 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)C 62a_100000737910_100000758300 [0,0,0,0,0,2|0,0,0]=2 1743 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)C 62a_100000758300_100000737910 [0,0,0,0,0,2|0,0,0]=2 1744 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)F 62a_100000737910_100009814554 [0,0,0,0,0,2|1,0,0]=3 1745 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)F 62a_100009814554_100000737910 [0,0,0,0,0,2|1,0,0]=3 1746 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)I 62a_100000737910_100010150146 [0,0,0,0,0,2|1,0,0]=3 1747 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)I 62a_100010150146_100000737910 [0,0,0,0,0,2|1,0,0]=3 1748 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)C 62a_100000758300_100016991755 [0,0,0,0,0,2|0,0,2]=4 1749 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)C 62a_100016991755_100000758300 [0,0,0,0,0,2|0,0,2]=4 1750 B17R2.41802 Cc1cccc(c1CSCc2nnn[nH]2)C 62a_100000758300_100000765167 [0,0,0,0,0,2|2,0,0]=4 1751 B17R2.41802 Cc1cccc(c1CSCc2nnn[nH]2)C 62a_100000765167_100000758300 [0,0,0,0,0,2|2,0,0]=4 1752 B17R2.41802 Cc1cccc(c1OCCc2nnn[nH]2)C 7a_100000210341_100000031946 [0,0,0,0,0,2|2,0,0]=4 1753 B17R2.41802 Cc1cccc(c1SCCc2nnn[nH]2)C 62a_100000031946_100000033847 [0,0,0,0,0,2|2,0,0]=4 1754 B17R2.41802 Cc1cccc(c1SCCc2nnn[nH]2)C 62a_100000033847_100000031946 [0,0,0,0,0,2|2,0,0]=4 1755 B17R2.41802 Clc1cccc(c1CNCC2=NCCN2)Cl 34a_100000174884_100000737910 [0,0,0,0,0,2|2,0,0]=4 1756 B17R2.41802 Clc1cccc(c1COCC2=NCCN2)Cl 34a_100000215722_100000737910 [0,0,0,0,0,2|2,0,0]=4 1757 B17R2.41802 Clc1cccc(c1COCC2=NCCN2)Cl 7a_100000215722_100000737910 [0,0,0,0,0,2|2,0,0]=4 1758 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Br 62a_100000737910_100010138402 [0,0,0,0,0,2|2,0,0]=4 1759 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Br 62a_100010138402_100000737910 [0,0,0,0,0,2|2,0,0]=4 1760 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Cl 62a_100000187851_100000737910 [0,0,0,0,0,2|2,0,0]=4 1761 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Cl 62a_100000737910_100000187851 [0,0,0,0,0,2|2,0,0]=4 1762 B17R2.41802 Fc1cccc(c1CNCC2=NCCN2)Br 34a_100012349121_100000737910 [0,0,0,0,0,2|2,0,0]=4 1763 B17R2.41802 Fc1cccc(c1CNCC2=NCCN2)Cl 34a_100000174883_100000737910 [0,0,0,0,0,2|2,0,0]=4 1764 B17R2.41802 Fc1cccc(c1CNCC2=NCCN2)F 34a_100000688400_100000737910 [0,0,0,0,0,2|2,0,0]=4 1765 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Br 34a_100012355691_100000737910 [0,0,0,0,0,2|2,0,0]=4 1766 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Br 7a_100012355691_100000737910 [0,0,0,0,0,2|2,0,0]=4 1767 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Cl 34a_100000215723_100000737910 [0,0,0,0,0,2|2,0,0]=4 1768 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Cl 7a_100000215723_100000737910 [0,0,0,0,0,2|2,0,0]=4 1769 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)F 34a_100000698215_100000737910 [0,0,0,0,0,2|2,0,0]=4 1770 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)F 7a_100000698215_100000737910 [0,0,0,0,0,2|2,0,0]=4 1771 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)I 34a_100010214973_100000737910 [0,0,0,0,0,2|2,0,0]=4 1772 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)I 7a_100010214973_100000737910 [0,0,0,0,0,2|2,0,0]=4 1773 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)Br 62a_100000737910_100012145669 [0,0,0,0,0,2|2,0,0]=4 1774 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)Br 62a_100012145669_100000737910 [0,0,0,0,0,2|2,0,0]=4 1775 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)Cl 62a_100000187852_100000737910 [0,0,0,0,0,2|2,0,0]=4 1776 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)Cl 62a_100000737910_100000187852 [0,0,0,0,0,2|2,0,0]=4 1777 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)F 62a_100000709179_100000737910 [0,0,0,0,0,2|2,0,0]=4 1778 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)F 62a_100000737910_100000698325 [0,0,0,0,0,2|2,0,0]=4 1779 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)I 62a_100000737910_100010149602 [0,0,0,0,0,2|2,0,0]=4 1780 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)I 62a_100010149602_100000737910 [0,0,0,0,0,2|2,0,0]=4 1781 B17R2.41802 Nc1cccc(c1COCC2=NCCN2)Br 34a_100000747656_100000737910 [0,0,0,0,0,2|2,0,0]=4 1782 B17R2.41802 Nc1cccc(c1COCC2=NCCN2)Cl 34a_100011916388_100000737910 [0,0,0,0,0,2|2,0,0]=4 1783 B17R2.41802 Nc1cccc(c1COCC2=NCCN2)F 34a_100011846719_100000737910 [0,0,0,0,0,2|2,0,0]=4