0 B13R2.430 C=C(C)c1cc2cn[nH]c2cn1 271570a_100000694244_100009820118 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.430 C=C(C)c1ccc2[nH]ccc2c1 271570a_100000694244_100000211741 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.430 C=C(C)c1ccc2[nH]ncc2c1 271570a_100000694244_100000049815 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.430 C=C(C)c1ccc2[nH]ncc2n1 271570a_100000694244_100000082131 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.430 C=C(C)c1ccc2oncc2c1 271570a_100000694244_100009817723 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.430 C=C(C)c1cnc2[nH]ncc2c1 271570a_100000694244_100009814530 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.430 CC(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.430 CC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.430 CC(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200000210301 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.430 CC(=O)c1ccc2snnc2c1 1458a_100000038608_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.430 CN(C)c1ccc2[nH]ncc2n1 27a_100102631434_100000082131 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.430 [13CH3]C(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200025704644 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200025704644 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.430 [13CH3]C(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200025704644 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.430 [13CH3]C(=O)c1ccc2snnc2c1 1458a_100000038608_200025704644 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.44 C=Cc1cc2cn[nH]c2cn1 271570a_100011290941_100009820118 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.44 C=Cc1ccc2[nH]ccc2c1 271570a_100011290941_100000211741 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.44 C=Cc1ccc2[nH]ncc2c1 271570a_100011290941_100000049815 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.44 C=Cc1ccc2[nH]ncc2n1 271570a_100011290941_100000082131 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.44 C=Cc1ccc2oncc2c1 271570a_100011290941_100009817723 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.44 C=Cc1cnc2[nH]ncc2c1 271570a_100011290941_100009814530 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.44 CNc1ccc2[nH]ncc2n1 27a_100102657272_100000082131 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.44 CNc1ccc2oncc2c1 34a_100000037595_200000210301 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.44 CNc1ccc2sncc2c1 34a_100000077742_200000210301 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.44 CSc1cc2cn[nH]c2cn1 62a_100009820118_200000210301 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.44 CSc1cc2cn[nH]c2cn1 62a_200000210301_100000082130 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.44 CSc1ccc2[nH]ncc2c1 62a_200000210301_100000049815 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.44 CSc1ccc2[nH]ncc2n1 62a_200000210301_100000082131 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.44 CSc1ccc2oncc2c1 62a_200000210301_100009817723 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.44 CSc1cnc2[nH]ncc2c1 62a_200000210301_100009814530 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.44 [13CH3]Nc1ccc2oncc2c1 34a_100000037595_200025704644 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.44 [13CH3]Nc1ccc2sncc2c1 34a_100000077742_200025704644 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.44 [13CH3]Sc1cc2cn[nH]c2cn1 62a_100009820118_200025704644 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.44 [13CH3]Sc1cc2cn[nH]c2cn1 62a_200025704644_100000082130 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.44 [13CH3]Sc1ccc2[nH]ncc2c1 62a_200025704644_100000049815 [1,0,0,0,0,0|2,0,0]=3 45 B12R2.44 [13CH3]Sc1ccc2[nH]ncc2n1 62a_200025704644_100000082131 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.44 [13CH3]Sc1ccc2oncc2c1 62a_200025704644_100009817723 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.44 [13CH3]Sc1cnc2[nH]ncc2c1 62a_200025704644_100009814530 [1,0,0,0,0,0|3,0,0]=4 48 B14R2.601 CC(=O)c1ccc2[nH]c(cc2c1)C 1458a_100000044770_200000210301 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.601 CN1Cc2ccc(cc2C1)[N+](=O)[O-] 2230a_100000763510_200000210301 [0,1,0,0,0,0|1,0,2]=4 50 B14R2.601 CN1Cc2ccc(cc2C1)[N+](=O)[O-] 269982a_100000763510_200000210301 [0,1,0,0,0,0|1,0,2]=4 51 B14R2.601 Cc1cc2cc(ccc2[nH]1)C(=O)[13CH3] 1458a_100000044770_200025704644 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.601 [13CH3]N1Cc2ccc(cc2C1)[N+](=O)[O-] 2230a_100000763510_200025704644 [0,1,0,0,0,0|1,0,2]=4 53 B14R2.601 [13CH3]N1Cc2ccc(cc2C1)[N+](=O)[O-] 269982a_100000763510_200025704644 [0,1,0,0,0,0|1,0,2]=4 54 B14R2.624 C=C(C)c1cc2cn[nH]c2cc1C 271570a_100000694244_100009816927 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.624 C=C(C)c1cc2cn[nH]c2cc1Cl 271570a_100000694244_100102525311 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.624 C=C(C)c1cc2cn[nH]c2cc1F 271570a_100000694244_100010143413 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.624 C=C(C)c1cc2cn[nH]c2cc1O 271570a_100000694244_100010079831 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.624 CC(=O)c1cc2cc[nH]c2cc1Cl 1458a_100009861393_200000210301 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.624 [13CH3]C(=O)c1cc2cc[nH]c2cc1Cl 1458a_100009861393_200025704644 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.966 CCC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_100000210202 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.966 CCC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_100000210202 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.966 CNC(=O)c1ccc2[nH]ccc2c1 11a_106832991635_100000752189 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.966 CNC(=O)c1ccc2[nH]ccc2c1 527a_100102657272_100000752189 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.966 CNC(=O)c1ccc2[nH]ncc2c1 240690a_100102657272_100000030791 [0,1,0,0,0,0|2,0,0]=3 65 B14R2.966 CNC(=O)c1ccc2[nH]ncc2c1 527a_100102657272_100000030791 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.966 CNC(=O)c1ccc2[nH]nnc2c1 240690a_100102657272_100000184783 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.966 CNC(=O)c1ccc2[nH]nnc2c1 527a_100102657272_100000184783 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.966 CNC(C)c1ccc2[nH]ncc2c1 269862a_106832991636_100000070180 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.966 O=C(CF)c1ccc2[nH]ccc2c1 1458a_100000752189_100015361967 [0,1,0,0,0,0|3,0,0]=4 70 B14R2.966 O=C(CF)c1ccc2[nH]ncc2c1 1458a_100000030791_100015361967 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.5719 C=C(C)c1ccc2c(c1)cnn2C 271570a_100000694244_100009817176 [0,1,0,0,0,0|3,0,0]=4 72 B14R2.5719 CC(=O)c1ccc2c(c1)ccn2C 1458a_100011912520_200000210301 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.5719 CC(=O)c1ccc2c(c1)cnn2C 1458a_100009866526_200000210301 [0,1,0,0,0,0|2,0,0]=3 74 B14R2.5719 CC(=O)c1ccc2c(c1)nnn2C 1458a_100011218984_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.5719 Cn1ccc2c1ccc(c2)C(=O)[13CH3] 1458a_100011912520_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.5719 Cn1ncc2c1ccc(c2)C(=O)[13CH3] 1458a_100009866526_200025704644 [0,1,0,0,0,0|2,0,0]=3 77 B14R2.5719 Cn1nnc2c1ccc(c2)C(=O)[13CH3] 1458a_100011218984_200025704644 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.5998 C=C(C)c1ccc2[nH]ncc2c1C 271570a_100000694244_100009817094 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.5998 C=C(C)c1ccc2[nH]ncc2c1F 271570a_100000694244_100010232219 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.5998 C=C(C)c1ccc2[nH]ncc2c1N 271570a_100000694244_100020965837 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.5998 CC(=O)c1ccc2[nH]ncc2c1F 1458a_100000100393_200000210301 [0,1,0,0,0,0|2,0,0]=3 82 B14R2.5998 [13CH3]C(=O)c1ccc2[nH]ncc2c1F 1458a_100000100393_200025704644 [0,1,0,0,0,0|2,0,0]=3 83 B14R2.8824 C=C(C)c1cc(c2[nH]ncc2c1)C 271570a_100000694244_100009812868 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.8824 C=C(C)c1cc(c2[nH]ncc2c1)Cl 271570a_100000694244_200010212562 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.8824 C=C(C)c1cc(c2[nH]ncc2c1)F 271570a_100000694244_100010143415 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.8824 C=C(C)c1cc(c2[nH]ncc2c1)N 271570a_100000694244_100010171008 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.8824 CC(=O)c1cc(c2[nH]ccc2c1)C 1458a_100009883529_200000210301 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.8824 CC(=O)c1cc(c2[nH]ncc2c1)C 1458a_100009884628_200000210301 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.8824 Cc1cc(cc2c1[nH]cc2)C(=O)[13CH3] 1458a_100009883529_200025704644 [0,1,0,0,0,0|3,0,0]=4 90 B14R2.8824 Cc1cc(cc2c1[nH]nc2)C(=O)[13CH3] 1458a_100009884628_200025704644 [0,1,0,0,0,0|2,0,0]=3 91 B14R2.24358 C=C(C)c1ccc2[nH]nc(c2c1)Br 271570a_100000694244_200012353728 [0,1,0,0,0,0|3,0,0]=4 92 B14R2.24358 C=C(C)c1ccc2[nH]nc(c2c1)C 271570a_100000694244_100102524909 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.24358 C=C(C)c1ccc2[nH]nc(c2c1)N 271570a_100000694244_100011934329 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.24358 CC(=O)c1ccc2[nH]cc(c2c1)Br 1458a_200009816265_200000210301 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.24358 CC(=O)c1ccc2[nH]nc(c2c1)Br 1458a_100009816877_200000210301 [0,1,0,0,0,0|2,0,0]=3 96 B14R2.24358 CC(=O)c1ccc2[nH]nc(c2c1)C 1458a_100009884726_200000210301 [0,1,0,0,0,0|2,0,0]=3 97 B14R2.24358 CC(=O)c1ccc2[nH]nc(c2c1)I 1458a_100010186040_200000210301 [0,1,0,0,0,0|2,0,0]=3 98 B14R2.24358 CC(=O)c1ccc2onc(c2c1)C 1458a_200010977551_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.24358 Cc1n[nH]c2c1cc(cc2)C(=O)[13CH3] 1458a_100009884726_200025704644 [0,1,0,0,0,0|2,0,0]=3 100 B14R2.24358 Cc1noc2c1cc(cc2)C(=O)[13CH3] 1458a_200010977551_200025704644 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.24358 [13CH3]C(=O)c1ccc2[nH]cc(c2c1)Br 1458a_200009816265_200025704644 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.24358 [13CH3]C(=O)c1ccc2[nH]nc(c2c1)Br 1458a_100009816877_200025704644 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.24358 [13CH3]C(=O)c1ccc2[nH]nc(c2c1)I 1458a_100010186040_200025704644 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [0,0,1,0,0,0|1,0,1]=3 105 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [0,0,1,0,0,0|1,0,1]=3 106 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [0,0,1,0,0,0|1,0,1]=3 107 B12R1.48 CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200000210301 [0,0,1,0,0,0|2,0,0]=3 108 B12R1.48 CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200000210301 [0,0,1,0,0,0|2,0,0]=3 109 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,0,1,0,0,0|2,0,1]=4 112 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,0,1,0,0,0|3,0,0]=4 114 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,0,1,0,0,0|3,0,0]=4 117 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,0,1,0,0,0|3,0,0]=4 120 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,0,1,0,0,0|3,0,0]=4 121 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [0,0,1,0,0,0|1,0,1]=3 122 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [0,0,1,0,0,0|1,0,1]=3 123 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [0,0,1,0,0,0|1,0,1]=3 124 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,0,1,0,0,0|2,0,1]=4 125 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,0,1,0,0,0|2,0,1]=4 126 B12R1.48 [13CH3]Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200025704644 [0,0,1,0,0,0|2,0,0]=3 127 B12R1.48 [13CH3]Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200025704644 [0,0,1,0,0,0|2,0,0]=3 128 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,0,1,0,0,0|3,0,0]=4 129 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,0,1,0,0,0|3,0,0]=4 134 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,0,1,0,0,0|3,0,0]=4 138 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [0,0,1,0,0,0|3,0,0]=4 140 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [0,0,1,0,0,0|3,0,0]=4 141 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [0,0,1,0,0,0|3,0,0]=4 142 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [0,0,1,0,0,0|3,0,0]=4 143 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,0,1,0,0,0|3,0,0]=4 144 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,0,1,0,0,0|3,0,0]=4 146 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,0,1,0,0,0|3,0,0]=4 148 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,0,1,0,0,0|3,0,0]=4 149 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,0,1,0,0,0|3,0,0]=4 150 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,0,1,0,0,0|3,0,0]=4 151 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,0,1,0,0,0|2,0,0]=3 155 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,0,1,0,0,0|2,0,0]=3 156 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200000210301 [0,0,1,0,0,0|3,0,0]=4 157 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200000210301 [0,0,1,0,0,0|3,0,0]=4 158 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [0,0,1,0,0,0|3,0,0]=4 159 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [0,0,1,0,0,0|3,0,0]=4 160 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,0,1,0,0,0|3,0,0]=4 162 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [0,0,1,0,0,0|3,0,0]=4 164 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,0,1,0,0,0|3,0,0]=4 165 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,0,1,0,0,0|3,0,0]=4 166 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,0,1,0,0,0|3,0,0]=4 167 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,0,1,0,0,0|3,0,0]=4 168 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,0,1,0,0,0|3,0,0]=4 169 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,0,1,0,0,0|3,0,0]=4 170 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,0,1,0,0,0|3,0,0]=4 171 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,0,1,0,0,0|3,0,0]=4 172 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,0,1,0,0,0|3,0,0]=4 173 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,0,1,0,0,0|2,0,0]=3 174 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,0,1,0,0,0|2,0,0]=3 175 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200025704644 [0,0,1,0,0,0|3,0,0]=4 176 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200025704644 [0,0,1,0,0,0|3,0,0]=4 177 B12R1.81 O=Cc1[nH]ncc1SC[N+](=O)[O-] 62a_100000732679_100000761209 [0,0,1,0,0,0|2,0,1]=4 178 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [0,0,1,0,0,0|1,0,1]=3 179 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [0,0,1,0,0,0|1,0,1]=3 180 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,0,1,0,0,0|2,0,1]=4 181 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,0,1,0,0,0|2,0,1]=4 182 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [0,0,1,0,0,0|1,0,2]=4 183 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [0,0,1,0,0,0|1,0,2]=4 184 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [0,0,1,0,0,0|1,0,2]=4 185 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [0,0,1,0,0,0|1,0,2]=4 186 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [0,0,1,0,0,0|1,0,2]=4 187 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [0,0,1,0,0,0|1,0,2]=4 188 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [0,0,1,0,0,0|1,0,2]=4 189 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [0,0,1,0,0,0|1,0,2]=4 190 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,0,1,0,0,0|2,0,1]=4 191 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,0,1,0,0,0|2,0,1]=4 192 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [0,0,1,0,0,0|2,0,1]=4 193 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 34a_100015195142_100015361967 [0,0,1,0,0,0|2,0,0]=3 194 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [0,0,1,0,0,0|3,0,0]=4 195 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [0,0,1,0,0,0|3,0,0]=4 196 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [0,0,1,0,0,0|1,0,2]=4 197 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [0,0,1,0,0,0|1,0,2]=4 198 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,0,1,0,0,0|2,0,1]=4 199 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [0,0,1,0,0,0|2,0,1]=4 200 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210202 [0,0,1,0,0,0|3,0,0]=4 201 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,0,1,0,0,0|3,0,0]=4 202 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,0,1,0,0,0|3,0,0]=4 203 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 207a_100102657272_100000185827 [0,0,1,0,0,0|1,0,2]=4 204 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200000210301 [0,0,1,0,0,0|1,0,2]=4 205 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000737091 [0,0,1,0,0,0|1,0,2]=4 206 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 26a_100102657272_100000185994 [0,0,1,0,0,0|1,0,2]=4 207 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 270004a_106832991635_100000185827 [0,0,1,0,0,0|1,0,2]=4 208 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200000210301 [0,0,1,0,0,0|1,0,2]=4 209 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000737091 [0,0,1,0,0,0|1,0,2]=4 210 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000737091 [0,0,1,0,0,0|1,0,2]=4 211 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [0,0,1,0,0,0|2,0,1]=4 213 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [0,0,1,0,0,0|2,0,1]=4 214 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200000210301 [0,0,1,0,0,0|2,0,1]=4 215 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_200000210301_100000737091 [0,0,1,0,0,0|2,0,1]=4 216 B12R1.279 O=[N+]([O-])c1cccc(c1)NCF 34a_100000184103_100015361967 [0,0,1,0,0,0|3,0,0]=4 217 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [0,0,1,0,0,0|3,0,0]=4 218 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [0,0,1,0,0,0|3,0,0]=4 219 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200025704644 [0,0,1,0,0,0|1,0,2]=4 220 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200025704644 [0,0,1,0,0,0|1,0,2]=4 221 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [0,0,1,0,0,0|2,0,1]=4 222 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [0,0,1,0,0,0|2,0,1]=4 223 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200025704644 [0,0,1,0,0,0|2,0,1]=4 224 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_200025704644_100000737091 [0,0,1,0,0,0|2,0,1]=4 225 B14R3.3015 c1cc2[nH]ncc2cc1C3CC3 271570a_100011220607_100000049815 [0,0,0,1,0,0|3,0,0]=4 226 B14R2.781 CC(=O)c1ccc2ccncc2c1 1458a_100000070124_200000210301 [0,0,0,0,0,1|3,0,0]=4 227 B14R2.781 CC(=O)c1ccc2cnccc2c1 1458a_100011935275_200000210301 [0,0,0,0,0,1|3,0,0]=4 228 B14R2.781 [13CH3]C(=O)c1ccc2ccncc2c1 1458a_100000070124_200025704644 [0,0,0,0,0,1|3,0,0]=4 229 B14R2.781 [13CH3]C(=O)c1ccc2cnccc2c1 1458a_100011935275_200025704644 [0,0,0,0,0,1|3,0,0]=4 230 B14R2.1008 CC(=Cc1ccc2[nH]ncc2c1)C 271570a_100102525489_100000049815 [0,0,0,0,0,1|3,0,0]=4 231 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 11a_100011201678_100015343762 [0,0,0,0,0,1|3,0,0]=4 232 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 1626a_100011201678_100015343762 [0,0,0,0,0,1|3,0,0]=4 233 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 22a_100011201678_100000070787 [0,0,0,0,0,1|3,0,0]=4 234 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 527a_100011201678_100103153847 [0,0,0,0,0,1|3,0,0]=4 235 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 1626a_100000187683_100015343762 [0,0,0,0,0,1|2,0,0]=3 236 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 22a_100000187683_100000070787 [0,0,0,0,0,1|2,0,0]=3 237 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 527a_100000187683_100103153847 [0,0,0,0,0,1|2,0,0]=3 238 B14R2.1008 CC(=O)Nc1ccc2[nH]nnc2c1 22a_100000747742_100000070787 [0,0,0,0,0,1|3,0,0]=4 239 B14R2.1008 CC(=O)Nc1ccc2[nH]nnc2c1 527a_100000747742_100103153847 [0,0,0,0,0,1|3,0,0]=4 240 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 11a_100000037595_100015343762 [0,0,0,0,0,1|3,0,0]=4 241 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 1626a_100000037595_100015343762 [0,0,0,0,0,1|3,0,0]=4 242 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 11a_100000077742_100015343762 [0,0,0,0,0,1|3,0,0]=4 243 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 1626a_100000077742_100015343762 [0,0,0,0,0,1|3,0,0]=4 244 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 22a_100000077742_100000070787 [0,0,0,0,0,1|3,0,0]=4 245 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 527a_100000077742_100103153847 [0,0,0,0,0,1|3,0,0]=4 246 B14R2.1008 CC(C)Sc1ccc2[nH]ncc2c1 62a_100000210206_100000049815 [0,0,0,0,0,1|3,0,0]=4 247 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [1,0,1,0,0,0|0,0,1]=3 248 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [1,0,1,0,0,0|0,0,1]=3 249 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,0,1,0,0,0|1,0,1]=4 250 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,0,1,0,0,0|1,0,1]=4 251 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [1,0,1,0,0,0|0,0,1]=3 252 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [1,0,1,0,0,0|0,0,1]=3 253 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,0,1,0,0,0|1,0,1]=4 254 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,0,1,0,0,0|1,0,1]=4 255 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [1,0,1,0,0,0|1,0,1]=4 256 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,0,1,0,0,0|2,0,0]=4 257 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,0,1,0,0,0|2,0,0]=4 258 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [1,0,1,0,0,0|1,0,1]=4 259 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,0,1,0,0,0|2,0,0]=4 260 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,0,1,0,0,0|2,0,0]=4 261 B11R2.36 Oc1cc2cn[nH]c2cn1 271570a_203496583355_100009820118 [2,0,0,0,0,0|1,0,1]=4 262 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [2,0,0,0,0,0|1,0,1]=4 263 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [2,0,0,0,0,0|0,0,1]=3 264 B11R2.36 Oc1ccc2[nH]ncc2n1 271570a_203496583355_100000082131 [2,0,0,0,0,0|1,0,1]=4 265 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [2,0,0,0,0,0|1,0,1]=4 266 B11R2.36 Oc1cnc2[nH]ncc2c1 271570a_203496583355_100009814530 [2,0,0,0,0,0|1,0,1]=4 267 B13R1.120 CN(C)c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_200000210301 [0,1,1,0,0,0|2,0,0]=4 268 B13R1.120 CN(C)c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_200000210301 [0,1,1,0,0,0|2,0,0]=4 269 B13R1.120 CN(C)c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_200000210301 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.120 CN([13CH3])c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_200025704644 [0,1,1,0,0,0|2,0,0]=4 271 B13R1.120 CN([13CH3])c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_200025704644 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.120 CN([13CH3])c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_200025704644 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 2230a_200011219100_200000210301 [0,1,1,0,0,0|1,0,1]=4 274 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 269982a_200011219100_200000210301 [0,1,1,0,0,0|1,0,1]=4 275 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 34a_200011219100_200000210301 [0,1,1,0,0,0|1,0,1]=4 276 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 2230a_200011219100_200025704644 [0,1,1,0,0,0|1,0,1]=4 277 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 269982a_200011219100_200025704644 [0,1,1,0,0,0|1,0,1]=4 278 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 34a_200011219100_200025704644 [0,1,1,0,0,0|1,0,1]=4 279 B13R1.144 CCNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_100000210202 [0,1,1,0,0,0|1,0,1]=4 280 B13R1.144 CCNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_100000210202 [0,1,1,0,0,0|1,0,1]=4 281 B13R1.144 CCNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_100000210202 [0,1,1,0,0,0|1,0,1]=4 282 B13R1.144 CCNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000210202 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.144 CCNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000210202 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 2230a_106832991635_100000741879 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 26a_100102657272_100000756651 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 270004a_106832991635_100011202981 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 34a_100102657272_100000741879 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 7a_106832991635_100000741879 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 207a_100102657272_100000695237 [0,1,1,0,0,0|1,0,1]=4 290 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 2230a_106832991635_100010218038 [0,1,1,0,0,0|1,0,1]=4 291 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 26a_100102657272_100000744956 [0,1,1,0,0,0|1,0,1]=4 292 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 34a_100102657272_100010218038 [0,1,1,0,0,0|1,0,1]=4 293 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 7a_106832991635_100010218038 [0,1,1,0,0,0|1,0,1]=4 294 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 2230a_106832991635_100000747184 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 26a_100102657272_100000206008 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_106832991635_100000755334 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100102657272_100000747184 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 7a_106832991635_100000747184 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 2230a_106832991635_100000759423 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 26a_100102657272_100000739697 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_200000210301 [0,1,1,0,0,0|2,0,0]=4 302 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100102657272_100000759423 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 7a_106832991635_100000759423 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.144 CNCc1ccc(cc1I)[N+](=O)[O-] 26a_100102657272_100012047213 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.144 Cc1cc(ccc1NCF)[N+](=O)[O-] 34a_100000184110_100015361967 [0,1,1,0,0,0|1,0,1]=4 306 B13R1.144 Cc1cc(ccc1NCF)[N+](=O)[O-] 7a_100000184110_100015361967 [0,1,1,0,0,0|1,0,1]=4 307 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Cl)NCF 34a_100000185723_100015361967 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.144 O=[N+]([O-])c1ccc(c(c1)F)NCF 34a_100000745739_100015361967 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.144 [13CH3]NCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_200025704644 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.652 CNc1cc(c(cc1Br)[N+](=O)[O-])F 7a_100010371101_200000210301 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])Br 7a_200010826999_200000210301 [0,1,1,0,0,0|1,0,1]=4 312 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])C 7a_106256046237_200000210301 [0,1,1,0,0,0|1,0,1]=4 313 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])Cl 7a_100000701678_200000210301 [0,1,1,0,0,0|1,0,1]=4 314 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])F 7a_100000085368_200000210301 [0,1,1,0,0,0|1,0,1]=4 315 B13R1.652 CNc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100000033050_200000210301 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.652 CNc1cc(c(cc1Cl)[N+](=O)[O-])F 7a_100011218492_200000210301 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.652 CNc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000071221_200000210301 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.652 CNc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000071221_200000210301 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.652 Cc1cc(c(cc1N[13CH3])Br)[N+](=O)[O-] 7a_200010826999_200025704644 [0,1,1,0,0,0|1,0,1]=4 320 B13R1.652 Cc1cc(c(cc1N[13CH3])C)[N+](=O)[O-] 7a_106256046237_200025704644 [0,1,1,0,0,0|1,0,1]=4 321 B13R1.652 Cc1cc(c(cc1N[13CH3])Cl)[N+](=O)[O-] 7a_100000701678_200025704644 [0,1,1,0,0,0|1,0,1]=4 322 B13R1.652 Cc1cc(c(cc1N[13CH3])F)[N+](=O)[O-] 7a_100000085368_200025704644 [0,1,1,0,0,0|1,0,1]=4 323 B13R1.652 [13CH3]Nc1cc(c(cc1Br)[N+](=O)[O-])F 7a_100010371101_200025704644 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.652 [13CH3]Nc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100000033050_200025704644 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.652 [13CH3]Nc1cc(c(cc1Cl)[N+](=O)[O-])F 7a_100011218492_200025704644 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.652 [13CH3]Nc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000071221_200025704644 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.652 [13CH3]Nc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000071221_200025704644 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.3091 CNc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000188651_200000210301 [0,1,1,0,0,0|1,0,1]=4 329 B13R1.3091 CNc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211086_200000210301 [0,1,1,0,0,0|1,0,1]=4 330 B13R1.3091 COc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000211086_200025704644 [0,1,1,0,0,0|1,0,1]=4 331 B13R1.3091 [13CH3]Nc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000188651_200025704644 [0,1,1,0,0,0|1,0,1]=4 332 B13R1.3096 CNc1ccc(c(c1C)C)[N+](=O)[O-] 2230a_100000074975_200000210301 [0,1,1,0,0,0|1,0,1]=4 333 B13R1.3096 CNc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100000074975_200000210301 [0,1,1,0,0,0|1,0,1]=4 334 B13R1.3096 CNc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100000074975_200000210301 [0,1,1,0,0,0|1,0,1]=4 335 B13R1.3096 CNc1ccc(c(c1C)F)[N+](=O)[O-] 34a_100000090441_200000210301 [0,1,1,0,0,0|1,0,1]=4 336 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])N[13CH3] 2230a_100000074975_200025704644 [0,1,1,0,0,0|1,0,1]=4 337 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])N[13CH3] 34a_100000074975_200025704644 [0,1,1,0,0,0|1,0,1]=4 338 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])N[13CH3] 7a_100000074975_200025704644 [0,1,1,0,0,0|1,0,1]=4 339 B13R1.3096 Cc1c(ccc(c1F)[N+](=O)[O-])N[13CH3] 34a_100000090441_200025704644 [0,1,1,0,0,0|1,0,1]=4 340 B13R1.3380 CNc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100009813865_200000210301 [0,1,1,0,0,0|1,0,1]=4 341 B13R1.3380 CNc1c(cc(cc1C)[N+](=O)[O-])C 34a_100000765414_200000210301 [0,1,1,0,0,0|1,0,1]=4 342 B13R1.3380 CNc1c(cc(cc1C)[N+](=O)[O-])C 7a_100000765414_200000210301 [0,1,1,0,0,0|1,0,1]=4 343 B13R1.3380 CNc1c(cc(cc1Cl)[N+](=O)[O-])C 7a_100011218544_200000210301 [0,1,1,0,0,0|1,0,1]=4 344 B13R1.3380 CNc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011217156_200000210301 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.3380 Cc1cc(cc(c1N[13CH3])Br)[N+](=O)[O-] 7a_100009813865_200025704644 [0,1,1,0,0,0|1,0,1]=4 346 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)[N+](=O)[O-] 34a_100000765414_200025704644 [0,1,1,0,0,0|1,0,1]=4 347 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)[N+](=O)[O-] 7a_100000765414_200025704644 [0,1,1,0,0,0|1,0,1]=4 348 B13R1.3380 Cc1cc(cc(c1N[13CH3])Cl)[N+](=O)[O-] 7a_100011218544_200025704644 [0,1,1,0,0,0|1,0,1]=4 349 B13R1.3380 [13CH3]Nc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011217156_200025704644 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.13 CC(=O)c1cc(ccc1Br)[N+](=O)[O-] 1458a_100000747063_200000210301 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.13 CC(=O)c1cc(ccc1C)[N+](=O)[O-] 1458a_100000229928_200000210301 [0,1,1,0,0,0|2,0,0]=4 352 B13R1.13 CC(=O)c1cc(ccc1I)[N+](=O)[O-] 1458a_100000739378_200000210301 [0,1,1,0,0,0|2,0,0]=4 353 B13R1.13 CC(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200000210301 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.13 Cc1ccc(cc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000229928_200025704644 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.13 [13CH3]C(=O)c1cc(ccc1Br)[N+](=O)[O-] 1458a_100000747063_200025704644 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.13 [13CH3]C(=O)c1cc(ccc1I)[N+](=O)[O-] 1458a_100000739378_200025704644 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.13 [13CH3]C(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200025704644 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.298 COc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200000210301 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.298 [13CH3]Oc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200025704644 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100000210202 [0,1,1,0,0,0|1,0,1]=4 361 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_100000210202 [0,1,1,0,0,0|1,0,1]=4 362 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000210499_100015361967 [0,1,1,0,0,0|1,0,1]=4 363 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000210499_100015361967 [0,1,1,0,0,0|1,0,1]=4 364 B13R1.651 COc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200000210301 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.651 [13CH3]Oc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200025704644 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.74 C#CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000038162 [0,1,1,0,0,0|1,0,1]=4 367 B13R1.74 C#CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000184674 [0,1,1,0,0,0|1,0,1]=4 368 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210623 [0,1,1,0,0,0|1,0,0]=3 369 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100015514636 [0,1,1,0,0,0|1,0,0]=3 370 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100015514636 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100015514636 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.74 CC=NNc1ccc(cc1)[N+](=O)[O-] 4a_100000006255_200000210099 [0,1,1,0,0,0|0,0,0]=2 373 B13R1.74 CC=NNc1ccc(cn1)[N+](=O)[O-] 4a_100000737981_200000210099 [0,1,1,0,0,0|1,0,0]=3 374 B13R1.74 CCCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210303 [0,1,1,0,0,0|1,0,1]=4 375 B13R1.74 CCCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210303 [0,1,1,0,0,0|1,0,1]=4 376 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 207a_100015525214_100000189386 [0,1,1,0,0,0|1,0,1]=4 377 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210202 [0,1,1,0,0,0|1,0,1]=4 378 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000181861 [0,1,1,0,0,0|1,0,1]=4 379 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100015525214_100000189386 [0,1,1,0,0,0|1,0,1]=4 380 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210202 [0,1,1,0,0,0|1,0,1]=4 381 B13R1.74 COCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000766300 [0,1,1,0,0,0|1,0,1]=4 382 B13R1.74 CSCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011218213 [0,1,1,0,0,0|1,0,1]=4 383 B13R1.74 CSCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011218213 [0,1,1,0,0,0|1,0,1]=4 384 B13R1.74 N#CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100011215382 [0,1,1,0,0,0|1,0,1]=4 385 B13R1.74 O=CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200015260668 [0,1,1,0,0,0|1,0,0]=3 386 B13R1.74 O=CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200009817547 [0,1,1,0,0,0|1,0,0]=3 387 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200009817547 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200015260668 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.74 O=[N+]([O-])c1ccc(cc1)CNCF 34a_100000742766_100015361967 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCF 2230a_100015195142_100011217306 [0,1,1,0,0,0|1,0,1]=4 391 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCF 34a_100015195142_100011217306 [0,1,1,0,0,0|1,0,1]=4 392 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCO 2230a_100015195142_100000211926 [0,1,1,0,0,0|1,0,1]=4 393 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCO 34a_100015195142_100000211926 [0,1,1,0,0,0|1,0,1]=4 394 B13R1.385 CCNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000210202 [0,1,1,0,0,0|1,0,1]=4 395 B13R1.385 CCNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_100000210202 [0,1,1,0,0,0|1,0,1]=4 396 B13R1.385 CCNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_100000210202 [0,1,1,0,0,0|1,0,1]=4 397 B13R1.385 CCNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000210202 [0,1,1,0,0,0|1,0,1]=4 398 B13R1.385 CCNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000210202 [0,1,1,0,0,0|1,0,1]=4 399 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])NCF 34a_100000745639_100015361967 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])NCF 7a_100000745639_100015361967 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)NCF 7a_100000693983_100015361967 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.385 O=[N+]([O-])c1ccc(cc1F)NCF 34a_100000741728_100015361967 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.385 O=[N+]([O-])c1ccc(cc1F)NCF 7a_100000741728_100015361967 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000210202 [0,1,1,0,0,0|1,0,1]=4 405 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156571_200000210301 [0,1,1,0,0,0|1,0,1]=4 406 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000204670 [0,1,1,0,0,0|1,0,1]=4 407 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156571_200000210301 [0,1,1,0,0,0|1,0,1]=4 408 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000210202 [0,1,1,0,0,0|1,0,1]=4 409 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156571_200000210301 [0,1,1,0,0,0|1,0,1]=4 410 B13R1.537 CCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156571_200025704644 [0,1,1,0,0,0|1,0,1]=4 411 B13R1.537 CCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156571_200025704644 [0,1,1,0,0,0|1,0,1]=4 412 B13R1.537 CCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156571_200025704644 [0,1,1,0,0,0|1,0,1]=4 413 B13R1.537 CN(CF)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100015361967 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.537 CN(CF)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100015361967 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100015343762 [0,1,1,0,0,0|1,0,1]=4 416 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100015343762 [0,1,1,0,0,0|1,0,1]=4 417 B13R1.585 CC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210206 [0,1,1,0,0,0|1,0,1]=4 418 B13R1.585 CC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210206 [0,1,1,0,0,0|1,0,1]=4 419 B13R1.543 CCC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100000210202 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 11a_106832991635_100000185806 [0,1,1,0,0,0|1,0,1]=4 421 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 1626a_100102657272_100000185806 [0,1,1,0,0,0|1,0,1]=4 422 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 240690a_100102657272_100000185806 [0,1,1,0,0,0|1,0,1]=4 423 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 527a_100102657272_100000185806 [0,1,1,0,0,0|1,0,1]=4 424 B13R1.543 O=C(CF)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100015361967 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.568 CC=NNc1cccc(c1)[N+](=O)[O-] 4a_103437854219_200000210099 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 2230a_100000694159_200000210301 [0,1,1,0,0,0|1,0,1]=4 427 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100011935270 [0,1,1,0,0,0|1,0,1]=4 428 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 34a_100000694159_200000210301 [0,1,1,0,0,0|1,0,1]=4 429 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100011935270 [0,1,1,0,0,0|1,0,1]=4 430 B13R1.568 CNCCc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100011935270 [0,1,1,0,0,0|1,0,1]=4 431 B13R1.568 [13CH3]NCCc1cccc(c1)[N+](=O)[O-] 2230a_100000694159_200025704644 [0,1,1,0,0,0|1,0,1]=4 432 B13R1.568 [13CH3]NCCc1cccc(c1)[N+](=O)[O-] 34a_100000694159_200025704644 [0,1,1,0,0,0|1,0,1]=4 433 B13R2.84 C=Cc1ccc2[nH]ncc2c1C 271570a_100011290941_100009817094 [1,1,0,0,0,0|2,0,0]=4 434 B13R2.84 C=Cc1ccc2[nH]ncc2c1F 271570a_100011290941_100010232219 [1,1,0,0,0,0|2,0,0]=4 435 B13R2.84 C=Cc1ccc2[nH]ncc2c1N 271570a_100011290941_100020965837 [1,1,0,0,0,0|2,0,0]=4 436 B13R2.84 COc1ccc2[nH]ncc2c1Cl 7a_100009844731_200000210301 [1,1,0,0,0,0|2,0,0]=4 437 B13R2.84 COc1ccc2[nH]ncc2c1O 271570a_203496583355_100010125576 [1,1,0,0,0,0|2,0,0]=4 438 B13R2.84 CSc1ccc2[nH]ncc2c1C 62a_200000210301_100009817094 [1,1,0,0,0,0|2,0,0]=4 439 B13R2.84 CSc1ccc2[nH]ncc2c1F 62a_200000210301_100010232219 [1,1,0,0,0,0|2,0,0]=4 440 B13R2.84 CSc1ccc2[nH]ncc2c1N 62a_200000210301_100020965837 [1,1,0,0,0,0|2,0,0]=4 441 B13R2.84 Cc1c(ccc2c1cn[nH]2)S[13CH3] 62a_200025704644_100009817094 [1,1,0,0,0,0|2,0,0]=4 442 B13R2.84 N#Cc1ccc2[nH]ncc2c1O 271570a_203496583355_100000100394 [1,1,0,0,0,0|2,0,0]=4 443 B13R2.84 [13CH3]Oc1ccc2[nH]ncc2c1Cl 7a_100009844731_200025704644 [1,1,0,0,0,0|2,0,0]=4 444 B13R2.84 [13CH3]Sc1ccc2[nH]ncc2c1F 62a_200025704644_100010232219 [1,1,0,0,0,0|2,0,0]=4 445 B13R2.84 [13CH3]Sc1ccc2[nH]ncc2c1N 62a_200025704644_100020965837 [1,1,0,0,0,0|2,0,0]=4 446 B13R2.449 C=C=Cc1ccc2[nH]ncc2c1 271570a_100015277604_100000049815 [1,1,0,0,0,0|2,0,0]=4 447 B13R2.449 CC=Cc1ccc2[nH]ncc2c1 271570a_100016259895_100000049815 [1,1,0,0,0,0|2,0,0]=4 448 B13R2.449 CCSc1ccc2[nH]ncc2c1 62a_100000210202_100000049815 [1,1,0,0,0,0|2,0,0]=4 449 B13R2.449 CNCc1ccc2[nH]ncc2c1 26a_100102657272_100000066706 [1,1,0,0,0,0|1,0,1]=4 450 B13R2.449 FCSc1ccc2[nH]ncc2c1 62a_100015361967_100000049815 [1,1,0,0,0,0|2,0,0]=4 451 B13R2.599 C=Cc1cc2cn[nH]c2cc1C 271570a_100011290941_100009816927 [1,1,0,0,0,0|2,0,0]=4 452 B13R2.599 C=Cc1cc2cn[nH]c2cc1Cl 271570a_100011290941_100102525311 [1,1,0,0,0,0|2,0,0]=4 453 B13R2.599 C=Cc1cc2cn[nH]c2cc1F 271570a_100011290941_100010143413 [1,1,0,0,0,0|2,0,0]=4 454 B13R2.599 C=Cc1cc2cn[nH]c2cc1O 271570a_100011290941_100010079831 [1,1,0,0,0,0|2,0,0]=4 455 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [1,1,0,0,0,0|2,0,0]=4 456 B13R2.599 CSc1cc2cn[nH]c2cc1C 62a_200000210301_100009816927 [1,1,0,0,0,0|2,0,0]=4 457 B13R2.599 CSc1cc2cn[nH]c2cc1Cl 62a_200000210301_100102525311 [1,1,0,0,0,0|2,0,0]=4 458 B13R2.599 CSc1cc2cn[nH]c2cc1F 62a_200000210301_100010143413 [1,1,0,0,0,0|2,0,0]=4 459 B13R2.599 CSc1cc2cn[nH]c2cc1O 62a_200000210301_100010079831 [1,1,0,0,0,0|2,0,0]=4 460 B13R2.599 Cc1cc2[nH]ncc2cc1S[13CH3] 62a_200025704644_100009816927 [1,1,0,0,0,0|2,0,0]=4 461 B13R2.599 N#Cc1cc2cn[nH]c2cc1O 271570a_203496583355_100010762497 [1,1,0,0,0,0|2,0,0]=4 462 B13R2.599 [13CH3]Sc1cc2cn[nH]c2cc1Cl 62a_200025704644_100102525311 [1,1,0,0,0,0|2,0,0]=4 463 B13R2.599 [13CH3]Sc1cc2cn[nH]c2cc1F 62a_200025704644_100010143413 [1,1,0,0,0,0|2,0,0]=4 464 B13R2.599 [13CH3]Sc1cc2cn[nH]c2cc1O 62a_200025704644_100010079831 [1,1,0,0,0,0|2,0,0]=4 465 B13R2.654 C=Cc1cc(c2[nH]ncc2c1)C 271570a_100011290941_100009812868 [1,1,0,0,0,0|2,0,0]=4 466 B13R2.654 C=Cc1cc(c2[nH]ncc2c1)Cl 271570a_100011290941_200010212562 [1,1,0,0,0,0|2,0,0]=4 467 B13R2.654 C=Cc1cc(c2[nH]ncc2c1)F 271570a_100011290941_100010143415 [1,1,0,0,0,0|2,0,0]=4 468 B13R2.654 C=Cc1cc(c2[nH]ncc2c1)N 271570a_100011290941_100010171008 [1,1,0,0,0,0|2,0,0]=4 469 B13R2.654 COc1cc(c2[nH]ncc2c1)O 271570a_203496583355_100010292072 [1,1,0,0,0,0|2,0,0]=4 470 B13R2.654 CSc1cc(c2[nH]ncc2c1)C 62a_200000210301_100009812868 [1,1,0,0,0,0|2,0,0]=4 471 B13R2.654 CSc1cc(c2[nH]ncc2c1)Cl 62a_200000210301_200010212562 [1,1,0,0,0,0|2,0,0]=4 472 B13R2.654 CSc1cc(c2[nH]ncc2c1)F 62a_200000210301_100010143415 [1,1,0,0,0,0|2,0,0]=4 473 B13R2.654 CSc1cc(c2[nH]ncc2c1)N 62a_200000210301_100010171008 [1,1,0,0,0,0|2,0,0]=4 474 B13R2.654 Cc1cc(cc2c1[nH]nc2)S[13CH3] 62a_200025704644_100009812868 [1,1,0,0,0,0|2,0,0]=4 475 B13R2.654 [13CH3]Sc1cc(c2[nH]ncc2c1)Cl 62a_200025704644_200010212562 [1,1,0,0,0,0|2,0,0]=4 476 B13R2.654 [13CH3]Sc1cc(c2[nH]ncc2c1)F 62a_200025704644_100010143415 [1,1,0,0,0,0|2,0,0]=4 477 B13R2.654 [13CH3]Sc1cc(c2[nH]ncc2c1)N 62a_200025704644_100010171008 [1,1,0,0,0,0|2,0,0]=4 478 B13R2.669 C=Cc1ccc2[nH]nc(c2c1)Br 271570a_100011290941_200012353728 [1,1,0,0,0,0|2,0,0]=4 479 B13R2.669 C=Cc1ccc2[nH]nc(c2c1)C 271570a_100011290941_100102524909 [1,1,0,0,0,0|2,0,0]=4 480 B13R2.669 C=Cc1ccc2[nH]nc(c2c1)N 271570a_100011290941_100011934329 [1,1,0,0,0,0|2,0,0]=4 481 B13R2.669 COc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353730 [1,1,0,0,0,0|2,0,0]=4 482 B13R2.669 CSc1ccc2[nH]nc(c2c1)Br 62a_200000210301_200012353728 [1,1,0,0,0,0|2,0,0]=4 483 B13R2.669 CSc1ccc2[nH]nc(c2c1)Br 62a_200012353728_200000210301 [1,1,0,0,0,0|2,0,0]=4 484 B13R2.669 CSc1ccc2[nH]nc(c2c1)C 62a_200000210301_100102524909 [1,1,0,0,0,0|2,0,0]=4 485 B13R2.669 Cc1n[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100102524909 [1,1,0,0,0,0|2,0,0]=4 486 B13R2.669 N#Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_200009888970 [1,1,0,0,0,0|2,0,0]=4 487 B13R2.669 O=Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100009817145 [1,1,0,0,0,0|1,0,0]=3 488 B13R2.669 [13CH3]Sc1ccc2[nH]nc(c2c1)Br 62a_200012353728_200025704644 [1,1,0,0,0,0|2,0,0]=4 489 B13R2.669 [13CH3]Sc1ccc2[nH]nc(c2c1)Br 62a_200025704644_200012353728 [1,1,0,0,0,0|2,0,0]=4 490 B13R2.2130 C=Cc1ccc2c(c1)cnn2C 271570a_100011290941_100009817176 [1,1,0,0,0,0|2,0,0]=4 491 B13R2.2130 CNc1ccc2c(c1)cnn2C 34a_100000067313_200000210301 [1,1,0,0,0,0|1,0,1]=4 492 B13R2.2130 COc1ccc2c(c1)cnn2C 34a_100009859523_200000210301 [1,1,0,0,0,0|2,0,0]=4 493 B13R2.2130 COc1ccc2c(c1)cnn2C 7a_100009859523_200000210301 [1,1,0,0,0,0|2,0,0]=4 494 B13R2.2130 CSc1ccc2c(c1)cnn2C 62a_100009817176_200000210301 [1,1,0,0,0,0|2,0,0]=4 495 B13R2.2130 CSc1ccc2c(c1)cnn2C 62a_200000210301_100009817176 [1,1,0,0,0,0|2,0,0]=4 496 B13R2.2130 Cn1ncc2c1ccc(c2)N[13CH3] 34a_100000067313_200025704644 [1,1,0,0,0,0|1,0,1]=4 497 B13R2.2130 Cn1ncc2c1ccc(c2)O[13CH3] 34a_100009859523_200025704644 [1,1,0,0,0,0|2,0,0]=4 498 B13R2.2130 Cn1ncc2c1ccc(c2)O[13CH3] 7a_100009859523_200025704644 [1,1,0,0,0,0|2,0,0]=4 499 B13R2.2130 Cn1ncc2c1ccc(c2)S[13CH3] 62a_100009817176_200025704644 [1,1,0,0,0,0|2,0,0]=4 500 B13R2.2130 Cn1ncc2c1ccc(c2)S[13CH3] 62a_200025704644_100009817176 [1,1,0,0,0,0|2,0,0]=4 501 B15R2.7180 CN1CCc2cc(ccc2C1)[N+](=O)[O-] 2230a_100016995013_200000210301 [0,1,0,0,0,1|1,0,1]=4 502 B15R2.7180 CN1CCc2cc(ccc2C1)[N+](=O)[O-] 269982a_100016995013_200000210301 [0,1,0,0,0,1|1,0,1]=4 503 B15R2.7180 [13CH3]N1CCc2cc(ccc2C1)[N+](=O)[O-] 2230a_100016995013_200025704644 [0,1,0,0,0,1|1,0,1]=4 504 B15R2.7180 [13CH3]N1CCc2cc(ccc2C1)[N+](=O)[O-] 269982a_100016995013_200025704644 [0,1,0,0,0,1|1,0,1]=4 505 B15R2.964 CC(=O)Nc1cc2cn[nH]c2cc1C 22a_100000067312_100000070787 [0,1,0,0,0,1|2,0,0]=4 506 B15R2.964 CC(=O)Nc1cc2cn[nH]c2cc1C 527a_100000067312_100103153847 [0,1,0,0,0,1|2,0,0]=4 507 B15R2.4343 C=CC(=O)Nc1ccc2[nH]ncc2c1 1626a_100000187683_100000185746 [0,1,0,0,0,1|2,0,0]=4 508 B15R2.4343 C=CC(=O)Nc1ccc2[nH]ncc2c1 22a_100000187683_100000185746 [0,1,0,0,0,1|2,0,0]=4 509 B15R2.4343 CCC(=O)Nc1ccc2[nH]ncc2c1 1626a_100000187683_100000210414 [0,1,0,0,0,1|2,0,0]=4 510 B15R2.4343 CCC(=O)Nc1ccc2[nH]ncc2c1 22a_100000187683_100000210414 [0,1,0,0,0,1|2,0,0]=4 511 B15R2.4343 CCC(=O)Nc1ccc2[nH]ncc2c1 527a_100000187683_100000210414 [0,1,0,0,0,1|2,0,0]=4 512 B15R2.4343 CNC(=O)Nc1ccc2[nH]ncc2c1 2430a_100000187683_100102657272 [0,1,0,0,0,1|2,0,0]=4 513 B15R2.4343 O=C(CO)Nc1ccc2[nH]ncc2c1 22a_100000187683_100000210174 [0,1,0,0,0,1|1,0,1]=4 514 B15R2.4343 O=C(CO)Nc1ccc2[nH]ncc2c1 527a_100000187683_100000210174 [0,1,0,0,0,1|1,0,1]=4 515 B15R2.9245 CC(=O)Nc1ccc2c(c1)cnn2C 11a_100000067313_100015343762 [0,1,0,0,0,1|2,0,0]=4 516 B15R2.9245 CC(=O)Nc1ccc2c(c1)cnn2C 1626a_100000067313_100015343762 [0,1,0,0,0,1|2,0,0]=4 517 B15R2.9245 CC(=O)Nc1ccc2c(c1)cnn2C 22a_100000067313_100000070787 [0,1,0,0,0,1|2,0,0]=4 518 B15R2.9245 CC(=O)Nc1ccc2c(c1)cnn2C 527a_100000067313_100103153847 [0,1,0,0,0,1|2,0,0]=4 519 B15R2.14950 CC(=O)Nc1cc(c2[nH]ncc2c1)Br 22a_100010188536_100000070787 [0,1,0,0,0,1|2,0,0]=4 520 B15R2.14950 CC(=O)Nc1cc(c2[nH]ncc2c1)Br 527a_100010188536_100103153847 [0,1,0,0,0,1|2,0,0]=4 521 B15R2.14950 CC(=O)Nc1cc(c2[nH]ncc2c1)C 22a_100000080766_100000070787 [0,1,0,0,0,1|2,0,0]=4 522 B15R2.14950 CC(=O)Nc1cc(c2[nH]ncc2c1)C 527a_100000080766_100103153847 [0,1,0,0,0,1|2,0,0]=4 523 B15R2.14950 CC(=O)Nc1cc(c2[nH]ncc2c1)Cl 22a_100102615900_100000070787 [0,1,0,0,0,1|2,0,0]=4 524 B15R2.14950 CC(=O)Nc1cc(c2[nH]ncc2c1)Cl 527a_100102615900_100103153847 [0,1,0,0,0,1|2,0,0]=4 525 B15R2.42998 CS(=O)(=O)Nc1ccc2[nH]ncc2c1 40a_100000187683_100000738038 [0,1,0,0,0,1|1,0,1]=4 526 B15R2.43323 CC(=O)Nc1ccc2[nH]ncc2c1C 22a_100000092189_100000070787 [0,1,0,0,0,1|2,0,0]=4 527 B15R2.43323 CC(=O)Nc1ccc2[nH]ncc2c1C 527a_100000092189_100103153847 [0,1,0,0,0,1|2,0,0]=4 528 B15R2.49965 CC(=O)Nc1ccc2[nH]nc(c2c1)Br 22a_100012353729_100000070787 [0,1,0,0,0,1|2,0,0]=4 529 B15R2.49965 CC(=O)Nc1ccc2[nH]nc(c2c1)Br 527a_100012353729_100103153847 [0,1,0,0,0,1|2,0,0]=4 530 B15R2.49965 CC(=O)Nc1ccc2[nH]nc(c2c1)C 22a_100000054952_100000070787 [0,1,0,0,0,1|2,0,0]=4 531 B15R2.49965 CC(=O)Nc1ccc2[nH]nc(c2c1)C 527a_100000054952_100103153847 [0,1,0,0,0,1|2,0,0]=4 532 B15R2.49965 CC(=O)Nc1ccc2[nH]nc(c2c1)Cl 22a_100011998477_100000070787 [0,1,0,0,0,1|2,0,0]=4 533 B15R2.49965 CC(=O)Nc1ccc2[nH]nc(c2c1)Cl 527a_100011998477_100103153847 [0,1,0,0,0,1|2,0,0]=4 534 B15R2.49965 CC(=O)Nc1ccc2[nH]nc(c2c1)I 22a_100010186061_100000070787 [0,1,0,0,0,1|2,0,0]=4 535 B15R2.49965 CC(=O)Nc1ccc2[nH]nc(c2c1)I 527a_100010186061_100103153847 [0,1,0,0,0,1|2,0,0]=4 536 B15R2.19053 COC(=O)c1cc2cn[nH]c2cc1O 271570a_203496583355_100010725067 [0,2,0,0,0,0|1,0,1]=4 537 B15R2.1350 C#CCC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_100000184674 [0,2,0,0,0,0|2,0,0]=4 538 B15R2.1350 C=CCC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_100000210623 [0,2,0,0,0,0|2,0,0]=4 539 B15R2.1350 CCCC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_100000210303 [0,2,0,0,0,0|2,0,0]=4 540 B15R2.1350 CCNC(=O)c1ccc2[nH]ncc2c1 240690a_100015525214_100000030791 [0,2,0,0,0,0|2,0,0]=4 541 B15R2.1350 CCNC(=O)c1ccc2[nH]ncc2c1 527a_100015525214_100000030791 [0,2,0,0,0,0|2,0,0]=4 542 B15R2.1350 CNNC(=O)c1ccc2[nH]ncc2c1 22a_100016993582_100000030791 [0,2,0,0,0,0|2,0,0]=4 543 B15R2.1350 N#CCC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_100011214920 [0,2,0,0,0,0|2,0,0]=4 544 B15R2.1350 O=C(CCF)c1ccc2[nH]ncc2c1 1458a_100000030791_100011217306 [0,2,0,0,0,0|2,0,0]=4 545 B15R2.1350 O=C(CCO)c1ccc2[nH]ncc2c1 1458a_100000030791_100000211926 [0,2,0,0,0,0|1,0,1]=4 546 B15R2.1586 CCC(=O)c1ccc2[nH]ncc2c1F 1458a_100000100393_100000210202 [0,2,0,0,0,0|2,0,0]=4 547 B15R2.1586 CNC(=O)c1ccc2[nH]ncc2c1F 240690a_100102657272_100000100393 [0,2,0,0,0,0|2,0,0]=4 548 B15R2.1586 CNC(=O)c1ccc2[nH]ncc2c1F 527a_100102657272_100000100393 [0,2,0,0,0,0|2,0,0]=4 549 B15R2.1586 O=C(CF)c1ccc2[nH]ncc2c1F 1458a_100000100393_100015361967 [0,2,0,0,0,0|2,0,0]=4 550 B15R2.19098 CCC(=O)c1ccc2[nH]nc(c2c1)Br 1458a_100009816877_100000210202 [0,2,0,0,0,0|2,0,0]=4 551 B15R2.19098 CCC(=O)c1ccc2[nH]nc(c2c1)C 1458a_100009884726_100000210202 [0,2,0,0,0,0|2,0,0]=4 552 B15R2.19098 CCC(=O)c1ccc2[nH]nc(c2c1)I 1458a_100010186040_100000210202 [0,2,0,0,0,0|2,0,0]=4 553 B15R2.19098 CNC(=O)c1ccc2[nH]nc(c2c1)Br 240690a_100102657272_100009816877 [0,2,0,0,0,0|2,0,0]=4 554 B15R2.19098 CNC(=O)c1ccc2[nH]nc(c2c1)Br 527a_100102657272_100009816877 [0,2,0,0,0,0|2,0,0]=4 555 B15R2.19098 CNC(=O)c1ccc2[nH]nc(c2c1)C 240690a_100102657272_100009884726 [0,2,0,0,0,0|2,0,0]=4 556 B15R2.19098 CNC(=O)c1ccc2[nH]nc(c2c1)C 527a_100102657272_100009884726 [0,2,0,0,0,0|2,0,0]=4 557 B15R2.19098 CNC(=O)c1ccc2[nH]nc(c2c1)I 240690a_100102657272_100010186040 [0,2,0,0,0,0|2,0,0]=4 558 B15R2.19098 CNC(=O)c1ccc2[nH]nc(c2c1)I 527a_100102657272_100010186040 [0,2,0,0,0,0|2,0,0]=4 559 B15R2.19098 COC(=O)c1ccc2[nH]nc(c2c1)O 271570a_203496583355_100010233916 [0,2,0,0,0,0|1,0,1]=4 560 B15R2.19098 Cc1n[nH]c2c1cc(cc2)C(=O)CF 1458a_100009884726_100015361967 [0,2,0,0,0,0|2,0,0]=4 561 B15R2.19098 O=C(CF)c1ccc2[nH]nc(c2c1)Br 1458a_100009816877_100015361967 [0,2,0,0,0,0|2,0,0]=4 562 B15R2.19098 O=C(CF)c1ccc2[nH]nc(c2c1)I 1458a_100010186040_100015361967 [0,2,0,0,0,0|2,0,0]=4 563 B15R2.19363 CCC(=O)c1cc(c2[nH]ncc2c1)C 1458a_100009884628_100000210202 [0,2,0,0,0,0|2,0,0]=4 564 B15R2.19363 CNC(=O)c1cc(c2[nH]ncc2c1)C 240690a_100102657272_100009884628 [0,2,0,0,0,0|2,0,0]=4 565 B15R2.19363 CNC(=O)c1cc(c2[nH]ncc2c1)C 527a_100102657272_100009884628 [0,2,0,0,0,0|2,0,0]=4 566 B15R2.19363 COC(=O)c1cc(c2[nH]ncc2c1)O 271570a_203496583355_100010687428 [0,2,0,0,0,0|1,0,1]=4 567 B15R2.19363 Cc1cc(cc2c1[nH]nc2)C(=O)CF 1458a_100009884628_100015361967 [0,2,0,0,0,0|2,0,0]=4 568 B15R2.79412 CCC(=O)c1ccc2c(c1)cnn2C 1458a_100009866526_100000210202 [0,2,0,0,0,0|2,0,0]=4 569 B15R2.79412 CNC(=O)c1ccc2c(c1)cnn2C 11a_106832991635_100009866526 [0,2,0,0,0,0|2,0,0]=4 570 B15R2.79412 CNC(=O)c1ccc2c(c1)cnn2C 1626a_100102657272_100009866526 [0,2,0,0,0,0|2,0,0]=4 571 B15R2.79412 CNC(=O)c1ccc2c(c1)cnn2C 240690a_100102657272_100009866526 [0,2,0,0,0,0|2,0,0]=4 572 B15R2.79412 CNC(=O)c1ccc2c(c1)cnn2C 527a_100102657272_100009866526 [0,2,0,0,0,0|2,0,0]=4 573 B15R2.79412 Cn1ncc2c1ccc(c2)C(=O)CF 1458a_100009866526_100015361967 [0,2,0,0,0,0|2,0,0]=4 574 B15R2.9804 CC(=O)c1ccc2c(c1)c(nn2C)I 1458a_100010192597_200000210301 [0,2,0,0,0,0|2,0,0]=4 575 B15R2.9804 Cn1nc(c2c1ccc(c2)C(=O)[13CH3])I 1458a_100010192597_200025704644 [0,2,0,0,0,0|2,0,0]=4 576 B13R2.5569 CC(=O)c1cccc2c1[nH]nc2 1458a_100000030479_200000210301 [0,0,1,1,0,0|2,0,0]=4 577 B13R2.5569 [13CH3]C(=O)c1cccc2c1[nH]nc2 1458a_100000030479_200025704644 [0,0,1,1,0,0|2,0,0]=4 578 B15R2.7688 CC(=O)NCc1ccc2[nH]ncc2c1 240690a_100016989852_100015343762 [0,0,0,0,0,2|2,0,0]=4 579 B15R2.7688 CC(=O)NCc1ccc2[nH]ncc2c1 527a_100016989852_100103153847 [0,0,0,0,0,2|2,0,0]=4 580 B15R2.7688 NC(=O)CSc1ccc2[nH]ncc2c1 62a_100000747473_100000049815 [0,0,0,0,0,2|2,0,0]=4 581 B15R2.7688 O=C([O-])CNc1ccc2oncc2c1 34a_100000037595_100020667443 [0,0,0,0,0,2|2,0,0]=4 582 B15R2.7688 O=C([O-])CNc1ccc2sncc2c1 34a_100000077742_100020667443 [0,0,0,0,0,2|2,0,0]=4 583 B15R2.7688 O=C([O-])COc1ccc2[nH]ccc2c1 34a_100000756620_100020667443 [0,0,0,0,0,2|2,0,0]=4 584 B15R2.7688 O=C([O-])CSc1cc2cn[nH]c2cn1 62a_100009820118_100020667443 [0,0,0,0,0,2|2,0,0]=4 585 B15R2.7688 O=C([O-])CSc1cc2cn[nH]c2cn1 62a_100020667443_100000082130 [0,0,0,0,0,2|2,0,0]=4 586 B15R2.7688 O=C([O-])CSc1ccc2[nH]ccc2c1 62a_100020667443_100000035808 [0,0,0,0,0,2|2,0,0]=4 587 B15R2.7688 O=C([O-])CSc1ccc2[nH]ncc2c1 62a_100020667443_100000049815 [0,0,0,0,0,2|1,0,0]=3 588 B15R2.7688 O=C([O-])CSc1ccc2[nH]ncc2n1 62a_100020667443_100000082131 [0,0,0,0,0,2|2,0,0]=4 589 B15R2.7688 O=C([O-])CSc1ccc2oncc2c1 62a_100020667443_100009817723 [0,0,0,0,0,2|2,0,0]=4 590 B15R2.7688 O=C([O-])CSc1cnc2[nH]ncc2c1 62a_100020667443_100009814530 [0,0,0,0,0,2|2,0,0]=4 591 B15R2.7688 O=[N+]([O-])CNc1ccc2cnoc2c1 34a_100000084182_100000761209 [0,0,0,0,0,2|2,0,0]=4 592 B15R2.7688 O=[N+]([O-])CNc1ccc2occc2c1 34a_106430523501_100000761209 [0,0,0,0,0,2|2,0,0]=4 593 B15R2.7688 O=[N+]([O-])CNc1ccc2oncc2c1 34a_100000037595_100000761209 [0,0,0,0,0,2|1,0,0]=3 594 B15R2.7688 O=[N+]([O-])CNc1ccc2sccc2c1 34a_100000681076_100000761209 [0,0,0,0,0,2|2,0,0]=4 595 B15R2.7688 O=[N+]([O-])CNc1ccc2sncc2c1 34a_100000077742_100000761209 [0,0,0,0,0,2|1,0,0]=3 596 B15R2.7688 O=[N+]([O-])COc1ccc2[nH]ccc2c1 34a_100000756620_100000761209 [0,0,0,0,0,2|1,0,0]=3 597 B15R2.7688 O=[N+]([O-])COc1ccc2c(c1)CCN2 34a_100020636429_100000761209 [0,0,0,0,0,2|1,0,1]=4 598 B15R2.7688 O=[N+]([O-])COc1ccc2cnoc2c1 34a_100000098417_100000761209 [0,0,0,0,0,2|2,0,0]=4 599 B15R2.7688 O=[N+]([O-])COc1ccc2occc2c1 34a_100000070125_100000761209 [0,0,0,0,0,2|2,0,0]=4 600 B15R2.7688 O=[N+]([O-])COc1ccc2sccc2c1 34a_100012180905_100000761209 [0,0,0,0,0,2|2,0,0]=4 601 B15R2.7688 O=[N+]([O-])COc1cnc2[nH]ccc2c1 34a_100000087691_100000761209 [0,0,0,0,0,2|2,0,0]=4 602 B15R2.7688 O=[N+]([O-])CSc1cc2cn[nH]c2cn1 62a_100009820118_100000761209 [0,0,0,0,0,2|1,0,0]=3 603 B15R2.7688 O=[N+]([O-])CSc1ccc2c(c1)C=CC2 62a_100009814306_100000761209 [0,0,0,0,0,2|2,0,0]=4 604 B15R2.7688 O=[N+]([O-])CSc1ccc2c(c1)CCN2 62a_100000691068_100000761209 [0,0,0,0,0,2|1,0,1]=4 605 B15R2.7688 O=[N+]([O-])CSc1ccc2nncn2c1 62a_100000764363_100000761209 [0,0,0,0,0,2|1,0,1]=4 606 B15R2.7688 O=[N+]([O-])CSc1ccn2nncc2c1 62a_100009820036_100000761209 [0,0,0,0,0,2|1,0,1]=4