0 B13R2.5569 CC(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.5569 CC(=O)c1cccc2c1[nH]nc2 1458a_100000030479_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.5569 CC(=O)c1cccc2c1nc[nH]2 1458a_100000691283_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.5569 CC(=O)c1cccc2c1nco2 1458a_100012186847_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.5569 CC(=O)c1cccc2c1nsn2 1458a_200000067701_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.5569 CC(=O)c1cccc2c1occ2 1458a_100000098497_200000210301 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.5569 CC(=O)c1cccc2c1scc2 1458a_100000766736_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.5569 [13CH3]C(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.5569 [13CH3]C(=O)c1cccc2c1[nH]nc2 1458a_100000030479_200025704644 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.5569 [13CH3]C(=O)c1cccc2c1nc[nH]2 1458a_100000691283_200025704644 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.5569 [13CH3]C(=O)c1cccc2c1nco2 1458a_100012186847_200025704644 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.5569 [13CH3]C(=O)c1cccc2c1nsn2 1458a_200000067701_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.5569 [13CH3]C(=O)c1cccc2c1occ2 1458a_100000098497_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.5569 [13CH3]C(=O)c1cccc2c1scc2 1458a_100000766736_200025704644 [0,0,0,0,0,0|4,0,0]=4 14 B14R2.712 C=C(C)c1cccc2c1nn(c2)C 271570a_100000694244_100009817170 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.712 CC(=O)c1cccc2c1nn(c2)C 1458a_100009847837_200000210301 [0,1,0,0,0,0|2,0,0]=3 16 B14R2.712 Cn1cc2cccc(c2n1)C(=O)[13CH3] 1458a_100009847837_200025704644 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.87 CNc1c(cccc1[N+](=O)[O-])F 34a_100000687224_200000210301 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200000210301 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200000210301 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200000210301 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.87 COc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200000210301 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [0,0,1,0,0,0|2,0,1]=4 26 B12R1.87 [13CH3]Nc1c(cccc1[N+](=O)[O-])F 34a_100000687224_200025704644 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200025704644 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200025704644 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200025704644 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200025704644 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210202 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.279 CNCc1cc(ccn1)[N+](=O)[O-] 2230a_106832991635_100010177786 [0,0,1,0,0,0|2,0,1]=4 35 B12R1.279 CNCc1cc(ccn1)[N+](=O)[O-] 270004a_106832991635_200000085670 [0,0,1,0,0,0|2,0,1]=4 36 B12R1.279 CNCc1cc(ccn1)[N+](=O)[O-] 34a_100102657272_100010177786 [0,0,1,0,0,0|2,0,1]=4 37 B12R1.279 CNCc1cc(ccn1)[N+](=O)[O-] 7a_106832991635_100010177786 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [0,0,1,0,0,0|2,0,1]=4 39 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 207a_100102657272_100000185827 [0,0,1,0,0,0|1,0,1]=3 40 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200000210301 [0,0,1,0,0,0|1,0,1]=3 41 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000737091 [0,0,1,0,0,0|1,0,1]=3 42 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 26a_100102657272_100000185994 [0,0,1,0,0,0|1,0,1]=3 43 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 270004a_106832991635_100000185827 [0,0,1,0,0,0|1,0,1]=3 44 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200000210301 [0,0,1,0,0,0|1,0,1]=3 45 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000737091 [0,0,1,0,0,0|1,0,1]=3 46 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000737091 [0,0,1,0,0,0|1,0,1]=3 47 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [0,0,1,0,0,0|2,0,1]=4 48 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [0,0,1,0,0,0|2,0,1]=4 49 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [0,0,1,0,0,0|2,0,1]=4 50 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200000210301 [0,0,1,0,0,0|2,0,1]=4 51 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_200000210301_100000737091 [0,0,1,0,0,0|2,0,1]=4 52 B12R1.279 O=[N+]([O-])c1cccc(c1)NCF 34a_100000184103_100015361967 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200025704644 [0,0,1,0,0,0|1,0,1]=3 56 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200025704644 [0,0,1,0,0,0|1,0,1]=3 57 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [0,0,1,0,0,0|2,0,1]=4 58 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [0,0,1,0,0,0|2,0,1]=4 59 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200025704644 [0,0,1,0,0,0|2,0,1]=4 60 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_200025704644_100000737091 [0,0,1,0,0,0|2,0,1]=4 61 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210202 [0,0,1,0,0,0|2,0,1]=4 62 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210202 [0,0,1,0,0,0|2,0,1]=4 63 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 2230a_106832991635_100000181388 [0,0,1,0,0,0|1,0,1]=3 64 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 270004a_106832991635_100000186027 [0,0,1,0,0,0|1,0,1]=3 65 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 34a_100102657272_100000181388 [0,0,1,0,0,0|1,0,1]=3 66 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 7a_106832991635_100000181388 [0,0,1,0,0,0|1,0,1]=3 67 B12R1.283 COCc1ccccc1[N+](=O)[O-] 34a_100138415774_100000181388 [0,0,1,0,0,0|2,0,1]=4 68 B12R1.283 COCc1ccccc1[N+](=O)[O-] 7a_100011218404_200000210301 [0,0,1,0,0,0|2,0,1]=4 69 B12R1.283 CSCc1ccccc1[N+](=O)[O-] 62a_200000210301_100000181388 [0,0,1,0,0,0|2,0,1]=4 70 B12R1.283 O=[N+]([O-])c1ccccc1OCF 34a_100000186319_100015361967 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.283 O=[N+]([O-])c1ccccc1OCF 7a_100000186319_100015361967 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.283 [13CH3]OCc1ccccc1[N+](=O)[O-] 7a_100011218404_200025704644 [0,0,1,0,0,0|2,0,1]=4 73 B12R1.283 [13CH3]SCc1ccccc1[N+](=O)[O-] 62a_200025704644_100000181388 [0,0,1,0,0,0|2,0,1]=4 74 B12R1.440 CNc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200000210301 [0,0,1,0,0,0|3,0,0]=4 75 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [0,0,1,0,0,0|3,0,0]=4 80 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [0,0,1,0,0,0|2,0,1]=4 85 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.440 [13CH3]Nc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200025704644 [0,0,1,0,0,0|3,0,0]=4 88 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [0,0,1,0,0,0|3,0,0]=4 91 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [0,0,1,0,0,0|2,0,1]=4 96 B14R2.31359 CC(=O)c1cccc2c1cncc2 1458a_100011356482_200000210301 [0,0,0,0,0,1|3,0,0]=4 97 B14R2.31359 CC(=O)c1cccc2c1nccc2 1458a_100000195423_200000210301 [0,0,0,0,0,1|3,0,0]=4 98 B14R2.31359 CC(=O)c1cccc2c1nccn2 1458a_100000048969_200000210301 [0,0,0,0,0,1|3,0,0]=4 99 B14R2.31359 [13CH3]C(=O)c1cccc2c1cncc2 1458a_100011356482_200025704644 [0,0,0,0,0,1|3,0,0]=4 100 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccc2 1458a_100000195423_200025704644 [0,0,0,0,0,1|3,0,0]=4 101 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccn2 1458a_100000048969_200025704644 [0,0,0,0,0,1|3,0,0]=4 102 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,0,1,0,0,0|1,0,1]=4 103 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,0,1,0,0,0|1,0,1]=4 104 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,0,1,0,0,0|1,0,1]=4 105 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,0,1,0,0,0|1,0,1]=4 106 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [1,0,1,0,0,0|1,0,0]=3 107 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,0,1,0,0,0|2,0,0]=4 108 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,0,1,0,0,0|2,0,0]=4 109 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [1,0,1,0,0,0|1,0,0]=3 110 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,0,1,0,0,0|2,0,0]=4 112 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Br 2230a_106832991635_100011273477 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Br 26a_100102657272_100000689966 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Br 270004a_106832991635_100000735576 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Br 34a_100102657272_100011273477 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Br 7a_106832991635_100011273477 [0,1,1,0,0,0|2,0,0]=4 117 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])C 2230a_106832991635_100010254497 [0,1,1,0,0,0|1,0,1]=4 118 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])C 34a_100102657272_100010254497 [0,1,1,0,0,0|1,0,1]=4 119 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])C 7a_106832991635_100010254497 [0,1,1,0,0,0|1,0,1]=4 120 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Cl 2230a_106832991635_100000753779 [0,1,1,0,0,0|2,0,0]=4 121 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Cl 270004a_106832991635_100011217401 [0,1,1,0,0,0|2,0,0]=4 122 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Cl 34a_100102657272_100000753779 [0,1,1,0,0,0|2,0,0]=4 123 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])Cl 7a_106832991635_100000753779 [0,1,1,0,0,0|2,0,0]=4 124 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])F 2230a_106832991635_100000751461 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])F 34a_100102657272_100000751461 [0,1,1,0,0,0|2,0,0]=4 126 B13R1.4012 CNCc1c(cccc1[N+](=O)[O-])F 7a_106832991635_100000751461 [0,1,1,0,0,0|2,0,0]=4 127 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Br 207a_100102657272_100011933973 [0,1,1,0,0,0|1,0,1]=4 128 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Br 2230a_106832991635_100012359582 [0,1,1,0,0,0|1,0,1]=4 129 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Br 26a_100102657272_100010219246 [0,1,1,0,0,0|1,0,1]=4 130 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Br 270004a_106832991635_100011933973 [0,1,1,0,0,0|1,0,1]=4 131 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Br 34a_100102657272_100012359582 [0,1,1,0,0,0|1,0,1]=4 132 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Br 7a_106832991635_100012359582 [0,1,1,0,0,0|1,0,1]=4 133 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])C 207a_100102657272_100009866143 [0,1,1,0,0,0|1,0,1]=4 134 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])C 26a_100102657272_200000091708 [0,1,1,0,0,0|1,0,1]=4 135 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])C 270004a_106832991635_100009866143 [0,1,1,0,0,0|1,0,1]=4 136 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Cl 207a_100102657272_100000050399 [0,1,1,0,0,0|1,0,1]=4 137 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Cl 2230a_106832991635_100010239696 [0,1,1,0,0,0|1,0,1]=4 138 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Cl 26a_100102657272_100000118981 [0,1,1,0,0,0|1,0,1]=4 139 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Cl 270004a_106832991635_100000050399 [0,1,1,0,0,0|1,0,1]=4 140 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100102657272_100010239696 [0,1,1,0,0,0|1,0,1]=4 141 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])Cl 7a_106832991635_100010239696 [0,1,1,0,0,0|1,0,1]=4 142 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])F 207a_100102657272_100012002401 [0,1,1,0,0,0|1,0,1]=4 143 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])F 2230a_106832991635_100012145706 [0,1,1,0,0,0|1,0,1]=4 144 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])F 26a_100102657272_100000690918 [0,1,1,0,0,0|1,0,1]=4 145 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])F 270004a_106832991635_100012002401 [0,1,1,0,0,0|1,0,1]=4 146 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])F 34a_100102657272_100012145706 [0,1,1,0,0,0|1,0,1]=4 147 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])F 7a_106832991635_100012145706 [0,1,1,0,0,0|1,0,1]=4 148 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])I 207a_100102657272_100000732959 [0,1,1,0,0,0|1,0,1]=4 149 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])I 2230a_106832991635_100010150304 [0,1,1,0,0,0|1,0,1]=4 150 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])I 270004a_106832991635_100000732959 [0,1,1,0,0,0|1,0,1]=4 151 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])I 34a_100102657272_100010150304 [0,1,1,0,0,0|1,0,1]=4 152 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])I 7a_106832991635_100010150304 [0,1,1,0,0,0|1,0,1]=4 153 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])O 207a_100102657272_200009842276 [0,1,1,0,0,0|1,0,1]=4 154 B13R1.31 CNCc1cc(cc(c1)[N+](=O)[O-])O 270004a_106832991635_200009842276 [0,1,1,0,0,0|1,0,1]=4 155 B13R1.354 CNCc1cc(ccc1Br)[N+](=O)[O-] 2230a_106832991635_100010254470 [0,1,1,0,0,0|1,0,1]=4 156 B13R1.354 CNCc1cc(ccc1Br)[N+](=O)[O-] 26a_100102657272_100000691124 [0,1,1,0,0,0|1,0,1]=4 157 B13R1.354 CNCc1cc(ccc1Br)[N+](=O)[O-] 34a_100102657272_100010254470 [0,1,1,0,0,0|1,0,1]=4 158 B13R1.354 CNCc1cc(ccc1Br)[N+](=O)[O-] 7a_106832991635_100010254470 [0,1,1,0,0,0|1,0,1]=4 159 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 207a_100102657272_100000080795 [0,1,1,0,0,0|1,0,1]=4 160 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 2230a_106832991635_100010238791 [0,1,1,0,0,0|1,0,1]=4 161 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 26a_100102657272_100000740739 [0,1,1,0,0,0|1,0,1]=4 162 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 34a_100102657272_100010238791 [0,1,1,0,0,0|1,0,1]=4 163 B13R1.354 CNCc1cc(ccc1C)[N+](=O)[O-] 7a_106832991635_100010238791 [0,1,1,0,0,0|1,0,1]=4 164 B13R1.354 CNCc1cc(ccc1Cl)[N+](=O)[O-] 2230a_106832991635_100011273546 [0,1,1,0,0,0|1,0,1]=4 165 B13R1.354 CNCc1cc(ccc1Cl)[N+](=O)[O-] 26a_100102657272_100000188705 [0,1,1,0,0,0|1,0,1]=4 166 B13R1.354 CNCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100102657272_100011273546 [0,1,1,0,0,0|1,0,1]=4 167 B13R1.354 CNCc1cc(ccc1Cl)[N+](=O)[O-] 7a_106832991635_100011273546 [0,1,1,0,0,0|1,0,1]=4 168 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 2230a_106832991635_100012145679 [0,1,1,0,0,0|1,0,1]=4 169 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 26a_100102657272_100011294461 [0,1,1,0,0,0|1,0,1]=4 170 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 34a_100102657272_100012145679 [0,1,1,0,0,0|1,0,1]=4 171 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 34a_200016989751_200000210301 [0,1,1,0,0,0|1,0,1]=4 172 B13R1.354 CNCc1cc(ccc1F)[N+](=O)[O-] 7a_106832991635_100012145679 [0,1,1,0,0,0|1,0,1]=4 173 B13R1.354 CNCc1cc(ccc1I)[N+](=O)[O-] 26a_100102657272_100000072739 [0,1,1,0,0,0|1,0,1]=4 174 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 2230a_106832991635_200009813932 [0,1,1,0,0,0|1,0,1]=4 175 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 34a_100102657272_200009813932 [0,1,1,0,0,0|1,0,1]=4 176 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 7a_106832991635_200009813932 [0,1,1,0,0,0|1,0,1]=4 177 B13R1.354 [13CH3]NCc1cc(ccc1F)[N+](=O)[O-] 34a_200016989751_200025704644 [0,1,1,0,0,0|1,0,1]=4 178 B13R1.377 CNCc1cccc(c1Br)[N+](=O)[O-] 2230a_106832991635_100012349479 [0,1,1,0,0,0|1,0,1]=4 179 B13R1.377 CNCc1cccc(c1Br)[N+](=O)[O-] 26a_100102657272_100010197803 [0,1,1,0,0,0|1,0,1]=4 180 B13R1.377 CNCc1cccc(c1Br)[N+](=O)[O-] 34a_100102657272_100012349479 [0,1,1,0,0,0|1,0,1]=4 181 B13R1.377 CNCc1cccc(c1Br)[N+](=O)[O-] 7a_106832991635_100012349479 [0,1,1,0,0,0|1,0,1]=4 182 B13R1.377 CNCc1cccc(c1C)[N+](=O)[O-] 2230a_106832991635_100000740638 [0,1,1,0,0,0|1,0,1]=4 183 B13R1.377 CNCc1cccc(c1C)[N+](=O)[O-] 34a_100102657272_100000740638 [0,1,1,0,0,0|1,0,1]=4 184 B13R1.377 CNCc1cccc(c1C)[N+](=O)[O-] 7a_106832991635_100000740638 [0,1,1,0,0,0|1,0,1]=4 185 B13R1.377 CNCc1cccc(c1Cl)[N+](=O)[O-] 26a_100102657272_100012001863 [0,1,1,0,0,0|1,0,1]=4 186 B13R1.377 CNCc1cccc(c1Cl)[N+](=O)[O-] 270004a_106832991635_100000087622 [0,1,1,0,0,0|1,0,1]=4 187 B13R1.377 CNCc1cccc(c1F)[N+](=O)[O-] 2230a_106832991635_100012360031 [0,1,1,0,0,0|1,0,1]=4 188 B13R1.377 CNCc1cccc(c1F)[N+](=O)[O-] 34a_100102657272_100012360031 [0,1,1,0,0,0|1,0,1]=4 189 B13R1.377 CNCc1cccc(c1F)[N+](=O)[O-] 7a_106832991635_100012360031 [0,1,1,0,0,0|1,0,1]=4 190 B13R1.377 CNCc1cccc(c1I)[N+](=O)[O-] 2230a_106832991635_100010150299 [0,1,1,0,0,0|1,0,1]=4 191 B13R1.377 CNCc1cccc(c1I)[N+](=O)[O-] 34a_100102657272_100010150299 [0,1,1,0,0,0|1,0,1]=4 192 B13R1.377 CNCc1cccc(c1I)[N+](=O)[O-] 7a_106832991635_100010150299 [0,1,1,0,0,0|1,0,1]=4 193 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Br 2230a_106832991635_100000693152 [0,1,1,0,0,0|1,0,1]=4 194 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Br 26a_100102657272_100012232398 [0,1,1,0,0,0|1,0,1]=4 195 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Br 34a_100102657272_100000693152 [0,1,1,0,0,0|1,0,1]=4 196 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Br 7a_106832991635_100000693152 [0,1,1,0,0,0|1,0,1]=4 197 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 207a_100102657272_100000183852 [0,1,1,0,0,0|1,0,1]=4 198 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 2230a_106832991635_100000042939 [0,1,1,0,0,0|1,0,1]=4 199 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 270004a_106832991635_100000183852 [0,1,1,0,0,0|1,0,1]=4 200 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 34a_100102657272_100000042939 [0,1,1,0,0,0|1,0,1]=4 201 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 7a_106832991635_100000042939 [0,1,1,0,0,0|1,0,1]=4 202 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Cl 26a_100102657272_100000718020 [0,1,1,0,0,0|1,0,1]=4 203 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])F 2230a_106832991635_100009816672 [0,1,1,0,0,0|1,0,1]=4 204 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])F 34a_100102657272_100009816672 [0,1,1,0,0,0|1,0,1]=4 205 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])F 7a_106832991635_100000102361 [0,1,1,0,0,0|1,0,1]=4 206 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])O 2230a_106832991635_100010149780 [0,1,1,0,0,0|1,0,1]=4 207 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])O 7a_106832991635_100010149780 [0,1,1,0,0,0|1,0,1]=4 208 B13R1.543 CC(N[13CH3])c1cccc(c1)[N+](=O)[O-] 2230a_100000741830_200025704644 [0,1,1,0,0,0|1,0,1]=4 209 B13R1.543 CCC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100000210202 [0,1,1,0,0,0|2,0,0]=4 210 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 11a_106832991635_100000185806 [0,1,1,0,0,0|1,0,0]=3 211 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 1626a_100102657272_100000185806 [0,1,1,0,0,0|1,0,0]=3 212 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 240690a_100102657272_100000185806 [0,1,1,0,0,0|1,0,0]=3 213 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 527a_100102657272_100000185806 [0,1,1,0,0,0|1,0,0]=3 214 B13R1.543 CNC(C)c1cccc(c1)[N+](=O)[O-] 2230a_100000741830_200000210301 [0,1,1,0,0,0|1,0,1]=4 215 B13R1.543 CNC(C)c1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000209821 [0,1,1,0,0,0|1,0,1]=4 216 B13R1.543 CNC(C)c1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000209821 [0,1,1,0,0,0|1,0,1]=4 217 B13R1.543 CNC(C)c1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000209821 [0,1,1,0,0,0|1,0,1]=4 218 B13R1.543 O=C(CF)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100015361967 [0,1,1,0,0,0|2,0,0]=4 219 B13R1.568 CCNCc1cccc(c1)[N+](=O)[O-] 207a_100015525214_100000185827 [0,1,1,0,0,0|1,0,1]=4 220 B13R1.568 CCNCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_100000210202 [0,1,1,0,0,0|1,0,1]=4 221 B13R1.568 CCNCc1cccc(c1)[N+](=O)[O-] 2230a_100015525214_100000737091 [0,1,1,0,0,0|1,0,1]=4 222 B13R1.568 CCNCc1cccc(c1)[N+](=O)[O-] 270004a_100015525214_100000185827 [0,1,1,0,0,0|1,0,1]=4 223 B13R1.568 CCNCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_100000210202 [0,1,1,0,0,0|1,0,1]=4 224 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 2230a_100000694159_200000210301 [0,1,1,0,0,0|1,0,1]=4 225 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100011935270 [0,1,1,0,0,0|1,0,1]=4 226 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 34a_100000694159_200000210301 [0,1,1,0,0,0|1,0,1]=4 227 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100011935270 [0,1,1,0,0,0|1,0,1]=4 228 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100011935270 [0,1,1,0,0,0|1,0,1]=4 229 B13R1.568 O=[N+]([O-])c1cccc(c1)CNCF 34a_100000755791_100015361967 [0,1,1,0,0,0|1,0,1]=4 230 B13R1.568 [13CH3]NCCc1cccc(c1)[N+](=O)[O-] 2230a_100000694159_200025704644 [0,1,1,0,0,0|1,0,1]=4 231 B13R1.568 [13CH3]NCCc1cccc(c1)[N+](=O)[O-] 34a_100000694159_200025704644 [0,1,1,0,0,0|1,0,1]=4 232 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 2230a_100000738247_200000210301 [0,1,1,0,0,0|1,0,1]=4 233 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 2230a_100102631434_100000737091 [0,1,1,0,0,0|1,0,1]=4 234 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 269982a_100000738247_200000210301 [0,1,1,0,0,0|1,0,1]=4 235 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 269982a_100102631434_100000737091 [0,1,1,0,0,0|1,0,1]=4 236 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 270004a_100102631434_100000185827 [0,1,1,0,0,0|1,0,1]=4 237 B13R1.587 CN([13CH3])Cc1cccc(c1)[N+](=O)[O-] 2230a_100000738247_200025704644 [0,1,1,0,0,0|1,0,1]=4 238 B13R1.587 CN([13CH3])Cc1cccc(c1)[N+](=O)[O-] 269982a_100000738247_200025704644 [0,1,1,0,0,0|1,0,1]=4 239 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Br 2230a_106832991635_100012353686 [0,1,1,0,0,0|1,0,1]=4 240 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Br 26a_100102657272_100000757407 [0,1,1,0,0,0|1,0,1]=4 241 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Br 34a_100102657272_100012353686 [0,1,1,0,0,0|1,0,1]=4 242 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Br 7a_106832991635_100012353686 [0,1,1,0,0,0|1,0,1]=4 243 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])C 207a_100102657272_100000050315 [0,1,1,0,0,0|1,0,1]=4 244 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])C 2230a_106832991635_200009879986 [0,1,1,0,0,0|1,0,1]=4 245 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])C 34a_100102657272_200009879986 [0,1,1,0,0,0|1,0,1]=4 246 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])C 7a_106832991635_200009879986 [0,1,1,0,0,0|1,0,1]=4 247 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Cl 2230a_106832991635_100000748067 [0,1,1,0,0,0|1,0,1]=4 248 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Cl 34a_100102657272_100000748067 [0,1,1,0,0,0|1,0,1]=4 249 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Cl 7a_106832991635_100000748067 [0,1,1,0,0,0|1,0,1]=4 250 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])F 2230a_106832991635_100012145688 [0,1,1,0,0,0|1,0,1]=4 251 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])F 34a_100102657272_100012145688 [0,1,1,0,0,0|1,0,1]=4 252 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])F 7a_106832991635_100012145688 [0,1,1,0,0,0|1,0,1]=4 253 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])I 2230a_106832991635_200010171343 [0,1,1,0,0,0|1,0,1]=4 254 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])I 34a_100102657272_200010171343 [0,1,1,0,0,0|1,0,1]=4 255 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])I 7a_106832991635_200010171343 [0,1,1,0,0,0|1,0,1]=4 256 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Br 2230a_106832991635_100010245524 [0,1,1,0,0,0|1,0,1]=4 257 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Br 26a_100102657272_100011934350 [0,1,1,0,0,0|1,0,1]=4 258 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Br 270004a_106832991635_100000692607 [0,1,1,0,0,0|1,0,1]=4 259 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Br 34a_100102657272_100010245524 [0,1,1,0,0,0|1,0,1]=4 260 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Br 7a_106832991635_100010245524 [0,1,1,0,0,0|1,0,1]=4 261 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])C 207a_100102657272_100000050452 [0,1,1,0,0,0|1,0,1]=4 262 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])C 2230a_106832991635_200000039114 [0,1,1,0,0,0|1,0,1]=4 263 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])C 270004a_106832991635_100000050452 [0,1,1,0,0,0|1,0,1]=4 264 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])C 34a_100102657272_200000039114 [0,1,1,0,0,0|1,0,1]=4 265 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])C 7a_106832991635_200000039114 [0,1,1,0,0,0|1,0,1]=4 266 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Cl 2230a_106832991635_100000765840 [0,1,1,0,0,0|1,0,1]=4 267 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Cl 270004a_106832991635_100000758460 [0,1,1,0,0,0|1,0,1]=4 268 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Cl 34a_100102657272_100000765840 [0,1,1,0,0,0|1,0,1]=4 269 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])Cl 7a_106832991635_100000765840 [0,1,1,0,0,0|1,0,1]=4 270 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])F 2230a_106832991635_100000740372 [0,1,1,0,0,0|1,0,1]=4 271 B13R1.356 CNCc1cc(ccc1[N+](=O)[O-])F 7a_106832991635_100000740372 [0,1,1,0,0,0|1,0,1]=4 272 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 11a_106832991635_100000188706 [0,1,1,0,0,0|1,0,1]=4 273 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188706 [0,1,1,0,0,0|1,0,1]=4 274 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188706 [0,1,1,0,0,0|1,0,1]=4 275 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100102657272_100000188706 [0,1,1,0,0,0|1,0,1]=4 276 B13R1.547 CN[C@H](C)c1ccccc1[N+](=O)[O-] 2230a_100025717333_200000210301 [0,1,1,0,0,0|1,0,1]=4 277 B13R1.547 C[C@@H](N[13CH3])c1ccccc1[N+](=O)[O-] 2230a_100025717333_200025704644 [0,1,1,0,0,0|1,0,1]=4 278 B13R1.572 C=CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100015514636 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.572 C=CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100015514636 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.572 CC=NNc1ccccc1[N+](=O)[O-] 4a_100000737275_200000210099 [0,1,1,0,0,0|0,0,2]=4 281 B13R1.572 CCNCc1ccccc1[N+](=O)[O-] 2230a_100015525214_100000181388 [0,1,1,0,0,0|1,0,1]=4 282 B13R1.572 CCNCc1ccccc1[N+](=O)[O-] 270004a_100015525214_100000186027 [0,1,1,0,0,0|1,0,1]=4 283 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_200000210301 [0,1,1,0,0,0|1,0,1]=4 284 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 2230a_106832991635_200011934512 [0,1,1,0,0,0|1,0,1]=4 285 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 34a_100102657272_200011934512 [0,1,1,0,0,0|1,0,1]=4 286 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 7a_106832991635_200011934512 [0,1,1,0,0,0|1,0,1]=4 287 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_200009817547 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_200015260668 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.572 [13CH3]NCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_200025704644 [0,1,1,0,0,0|1,0,1]=4 290 B13R1.589 CN(C)Cc1ccccc1[N+](=O)[O-] 2230a_100000737654_200000210301 [0,1,1,0,0,0|1,0,1]=4 291 B13R1.589 CN(C)Cc1ccccc1[N+](=O)[O-] 2230a_100102631434_100000181388 [0,1,1,0,0,0|1,0,1]=4 292 B13R1.589 CN(C)Cc1ccccc1[N+](=O)[O-] 269982a_100000737654_200000210301 [0,1,1,0,0,0|1,0,1]=4 293 B13R1.589 CN(C)Cc1ccccc1[N+](=O)[O-] 269982a_100102631434_100000181388 [0,1,1,0,0,0|1,0,1]=4 294 B13R1.589 CN(C)Cc1ccccc1[N+](=O)[O-] 270004a_100102631434_100000186027 [0,1,1,0,0,0|1,0,1]=4 295 B13R1.589 CN([13CH3])Cc1ccccc1[N+](=O)[O-] 2230a_100000737654_200025704644 [0,1,1,0,0,0|1,0,1]=4 296 B13R1.589 CN([13CH3])Cc1ccccc1[N+](=O)[O-] 269982a_100000737654_200025704644 [0,1,1,0,0,0|1,0,1]=4 297 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])Br 2230a_106832991635_100010145487 [0,1,1,0,0,0|1,0,1]=4 298 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])Br 270004a_106832991635_100009996538 [0,1,1,0,0,0|1,0,1]=4 299 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])Br 34a_100102657272_100010145487 [0,1,1,0,0,0|1,0,1]=4 300 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])Br 7a_106832991635_100010145487 [0,1,1,0,0,0|1,0,1]=4 301 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])C 207a_100102657272_100000050834 [0,1,1,0,0,0|1,0,1]=4 302 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])C 2230a_106832991635_100010188692 [0,1,1,0,0,0|1,0,1]=4 303 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])C 270004a_106832991635_100000050834 [0,1,1,0,0,0|1,0,1]=4 304 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])C 34a_100102657272_100010188692 [0,1,1,0,0,0|1,0,1]=4 305 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])C 7a_106832991635_100010188692 [0,1,1,0,0,0|1,0,1]=4 306 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])Cl 2230a_106832991635_100009990124 [0,1,1,0,0,0|1,0,1]=4 307 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])Cl 270004a_106832991635_100000050954 [0,1,1,0,0,0|1,0,1]=4 308 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])Cl 34a_100102657272_100009990124 [0,1,1,0,0,0|1,0,1]=4 309 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])Cl 7a_106832991635_100009990124 [0,1,1,0,0,0|1,0,1]=4 310 B13R1.2897 CNCc1cccc(c1[N+](=O)[O-])F 270004a_106832991635_100000102507 [0,1,1,0,0,0|1,0,1]=4 311 B13R1.3801 CC(=O)c1cccc(c1Br)[N+](=O)[O-] 1458a_100000685994_200000210301 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.3801 CC(=O)c1cccc(c1C)[N+](=O)[O-] 1458a_100000211150_200000210301 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.3801 CC(=O)c1cccc(c1Cl)[N+](=O)[O-] 1458a_100000743002_200000210301 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.3801 CC(=O)c1cccc(c1I)[N+](=O)[O-] 1458a_100000041022_200000210301 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.3801 CC(=O)c1cccc(c1O)[N+](=O)[O-] 1458a_100000766605_200000210301 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.3801 Cc1c(cccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000211150_200025704644 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.3801 [13CH3]C(=O)c1cccc(c1Br)[N+](=O)[O-] 1458a_100000685994_200025704644 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.3801 [13CH3]C(=O)c1cccc(c1Cl)[N+](=O)[O-] 1458a_100000743002_200025704644 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.3801 [13CH3]C(=O)c1cccc(c1I)[N+](=O)[O-] 1458a_100000041022_200025704644 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.3801 [13CH3]C(=O)c1cccc(c1O)[N+](=O)[O-] 1458a_100000766605_200025704644 [0,1,1,0,0,0|2,0,0]=4 321 B13R2.581 C=Cc1cccc2c1nn(c2)C 271570a_100011290941_100009817170 [1,1,0,0,0,0|2,0,0]=4 322 B13R2.581 CNc1cccc2c1nn(c2)C 34a_103496549576_200000210301 [1,1,0,0,0,0|1,0,1]=4 323 B13R2.581 CSc1cccc2c1nn(c2)C 62a_200000210301_100009817170 [1,1,0,0,0,0|2,0,0]=4 324 B13R2.581 Cn1cc2cccc(c2n1)N[13CH3] 34a_103496549576_200025704644 [1,1,0,0,0,0|1,0,1]=4 325 B13R2.581 Cn1cc2cccc(c2n1)S[13CH3] 62a_200025704644_100009817170 [1,1,0,0,0,0|2,0,0]=4 326 B15R2.1106 CC(=O)Nc1cccc2c1nn(c2)C 11a_103496549576_100015343762 [0,1,0,0,0,1|2,0,0]=4 327 B15R2.1106 CC(=O)Nc1cccc2c1nn(c2)C 1626a_103496549576_100015343762 [0,1,0,0,0,1|2,0,0]=4 328 B15R2.1106 CC(=O)Nc1cccc2c1nn(c2)C 22a_103496549576_100000070787 [0,1,0,0,0,1|2,0,0]=4 329 B15R2.1106 CC(=O)Nc1cccc2c1nn(c2)C 527a_103496549576_100103153847 [0,1,0,0,0,1|2,0,0]=4 330 B15R2.384 CN1CCc2c(cccc2[N+](=O)[O-])C1 2230a_100020648290_200000210301 [0,1,0,0,0,1|1,0,1]=4 331 B15R2.384 CN1CCc2c(cccc2[N+](=O)[O-])C1 269982a_100020648290_200000210301 [0,1,0,0,0,1|1,0,1]=4 332 B15R2.384 [13CH3]N1CCc2c(cccc2[N+](=O)[O-])C1 2230a_100020648290_200025704644 [0,1,0,0,0,1|1,0,1]=4 333 B15R2.384 [13CH3]N1CCc2c(cccc2[N+](=O)[O-])C1 269982a_100020648290_200025704644 [0,1,0,0,0,1|1,0,1]=4 334 B15R2.13611 CC(=O)c1cccc2c1nc[nH]c2=O 1458a_100000099146_200000210301 [0,1,0,0,0,1|2,0,0]=4 335 B15R2.13611 [13CH3]C(=O)c1cccc2c1nc[nH]c2=O 1458a_100000099146_200025704644 [0,1,0,0,0,1|2,0,0]=4 336 B15R2.19309 CCC(=O)c1cccc2c1nn(c2)C 1458a_100009847837_100000210202 [0,2,0,0,0,0|2,0,0]=4 337 B15R2.19309 CNC(=O)c1cccc2c1nn(c2)C 11a_106832991635_100009847837 [0,2,0,0,0,0|2,0,0]=4 338 B15R2.19309 CNC(=O)c1cccc2c1nn(c2)C 1626a_100102657272_100009847837 [0,2,0,0,0,0|2,0,0]=4 339 B15R2.19309 CNC(=O)c1cccc2c1nn(c2)C 240690a_100102657272_100009847837 [0,2,0,0,0,0|2,0,0]=4 340 B15R2.19309 CNC(=O)c1cccc2c1nn(c2)C 527a_100102657272_100009847837 [0,2,0,0,0,0|2,0,0]=4 341 B15R2.19309 Cn1cc2cccc(c2n1)C(=O)CF 1458a_100009847837_100015361967 [0,2,0,0,0,0|2,0,0]=4 342 B13R2.13 C[n+]1cccc(c1)c2cn[nH]c2 271570a_100000041997_100009996589 [0,0,1,1,0,0|2,0,0]=4 343 B13R2.13 O=c1cccc([nH]1)c2cn[nH]c2 271570a_100000041997_100000761760 [0,0,1,1,0,0|2,0,0]=4 344 B13R2.13 [O-][n+]1cccc(c1)c2cc[nH]c2 271570a_100000102155_100009815978 [0,0,1,1,0,0|2,0,0]=4 345 B13R2.13 [O-][n+]1cccc(c1)c2cn[nH]c2 271570a_100000041997_100009815978 [0,0,1,1,0,0|1,0,0]=3 346 B13R2.13 [O-][n+]1ccnc(c1)c2cn[nH]c2 271570a_100000041997_100009880115 [0,0,1,1,0,0|2,0,0]=4 347 B13R2.18 C[n+]1ccccc1c2cc[nH]n2 271570a_100000062414_100000212160 [0,0,1,1,0,0|2,0,0]=4 348 B13R2.18 O=c1[nH]cccc1c2cc[nH]n2 271570a_100000062414_100000050042 [0,0,1,1,0,0|2,0,0]=4 349 B13R2.18 O=c1[nH]cccc1c2cc[nH]n2 271570a_100000099769_100000062575 [0,0,1,1,0,0|2,0,0]=4 350 B13R2.18 [O-][n+]1ccccc1c2cc[nH]c2 271570a_100000102155_200000042595 [0,0,1,1,0,0|2,0,0]=4 351 B13R2.18 [O-][n+]1ccccc1c2cc[nH]n2 271570a_100000062414_200000042595 [0,0,1,1,0,0|1,0,0]=3 352 B15R2.19753 O=[N+]([O-])CNc1cccc2c1nco2 34a_100000717946_100000761209 [0,0,0,0,0,2|2,0,0]=4 353 B15R2.19753 O=[N+]([O-])COc1cccc2c1CNC2 34a_100015191671_100000761209 [0,0,0,0,0,2|1,0,1]=4 354 B15R2.19753 O=[N+]([O-])COc1cccc2c1ncs2 34a_100000101385_100000761209 [0,0,0,0,0,2|2,0,0]=4 355 B15R2.19753 O=[N+]([O-])COc1cccn2c1ncc2 34a_100000068405_100000761209 [0,0,0,0,0,2|2,0,0]=4 356 B15R2.19753 O=[N+]([O-])CSc1cccc2c1CC=C2 62a_100009844718_100000761209 [0,0,0,0,0,2|2,0,0]=4 357 B15R2.19753 O=[N+]([O-])CSc1cccc2c1CNC2 62a_100000703859_100000761209 [0,0,0,0,0,2|1,0,1]=4 358 B15R2.19753 O=[N+]([O-])CSc1cccc2c1non2 62a_100009820244_100000761209 [0,0,0,0,0,2|2,0,0]=4